# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-15T01:14:28+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1516282","47.182","0.005","9.857","0.005","32.787","0.005","90","0.005","101.008","0.005","90","0.005","14968","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cd2 N10 O21 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min","A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity","CrystEngComm","2014","16","30","6882","","10.1039/C4CE00546E","","","0.71069","MoKα","","0.0706","0.0459","","","0.1196","0.1283","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518960","9.8293","0.0004","10.383","0.0006","24.9908","0.0013","84.684","0.004","81.333","0.004","71.773","0.004","2392.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid and 4,4'-Bipyridine complex","2-{[3-(Trifluoromethyl)phenyl]amino}benzoic acid and4,4'bipyridine complex","","- C57 H42 F9 N6 O6 -","- C57 H42 F9 N6 O6 -","- C114 H84 F18 N12 O12 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.1378","0.0692","","","0.1617","0.2055","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518961","7.3086","0.0003","8.6692","0.0004","13.632","0.0005","106.135","0.004","99.428","0.004","98.758","0.004","800.46","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","mefenamic acid and 4,4'-Bipyridine complex","2-(2,3-dimethylphenyl)aminobenzoic acid and 4,4'bipyridine complex","","- C20 H19 N2 O2 -","- C20 H19 N2 O2 -","- C40 H38 N4 O4 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0769","0.0485","","","0.1008","0.1137","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518962","4.7081","0.0002","45.2195","0.0014","7.9188","0.0003","90","","106.896","0.005","90","","1613.12","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolfenamic acid and 4,4'-Bipyridine complex","2-[(3-chloro-2-methylphenyl)amino]benzoic acid and4,4'bipyridine complex","","- C19 H16 Cl N2 O2 -","- C19 H16 Cl N2 O2 -","- C76 H64 Cl4 N8 O8 -","4","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0758","0.052","","","0.0971","0.1053","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519444","13.488","0.002","9.6611","0.0015","9.3604","0.0013","90","","90.183","0.005","90","","1219.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1147","0.0729","","","0.1936","0.2468","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519445","25.8998","0.0013","5.5463","0.0003","8.3187","0.0004","90","","95.876","0.004","90","","1188.69","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0772","0.0605","","","0.148","0.1587","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519446","10.2114","0.0002","30.3315","0.0007","8.2353","0.0002","90","","110.193","0.001","90","","2393.92","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","2","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0532","0.0398","","","0.1031","0.1117","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519448","9.736","0.0006","9.8752","0.0006","26.1543","0.0016","92.856","0.004","100.295","0.004","91.291","0.004","2469.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","4","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1473","0.0559","","","0.1223","0.16","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519449","10.6217","0.0016","14.442","0.002","8.2589","0.0012","90","","109.623","0.005","90","","1193.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinic acid-(1-phenyl-ethylidenehydrazide)","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0934","0.0532","","","0.1078","0.1241","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519665","8.066","0.002","11.397","0.002","19.555","0.004","74.776","0.009","80.442","0.009","85.17","0.009","1708.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0657","0.05","","","0.1211","0.1368","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519666","25.2378","0.0011","8.6872","0.0004","18.8139","0.0008","90","","130.447","0.005","90","","3139.1","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co3 N2 O20 S2 -","- C26 H18 Co3 N2 O20 S2 -","- C104 H72 Co12 N8 O80 S8 -","4","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0626","0.0522","","","0.1165","0.1246","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519667","7.6877","0.0003","24.3258","0.0009","18.1655","0.0008","90","","94.185","0.001","90","","3388.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Co3 N8 O32 S2 -","- C56 H66 Co3 N8 O28 S2 -","- C112 H132 Co6 N16 O56 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0489","0.0393","","","0.0967","0.1009","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519668","9.4916","0.0005","9.5694","0.0005","10.5062","0.0005","105.776","0.001","109.863","0.001","94.71","0.001","847.49","0.08","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0424","0.0352","","","0.0956","0.1146","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519669","10.118","0.005","13.926","0.005","19.699","0.005","90","","90.537","0.005","90","","2775.5","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Co2 N8 O22 S2 -","- C56 H56 Co2 N8 O22 S2 -","- C112 H112 Co4 N16 O44 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0639","0.0479","","","0.1158","0.1247","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519670","10.5832","0.0005","15.6631","0.0006","9.8457","0.0005","90","","96.447","0.005","90","","1621.76","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,5-Dihydro-1-1H-pyrrol-1-yl)-3-iodoprop-2-yn-1-one","","- C7 H6 I N O -","- C7 H6 I N O -","- C56 H48 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0449","0.0342","","","0.078","0.0843","","","","","","1.029","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519671","10.344","0.0003","15.8341","0.0005","10.4832","0.0004","90","","95.996","0.003","90","","1707.63","0.1","179.95","0.1","179.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodo-1-(pyrrolidin-1-yl)prop-2-yn-1-one","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.053","0.0336","","","0.0571","0.068","","","","","","1.03","","","","has coordinates,has disorder","143412","2020-10-21","18:00:00",""
"1519672","9.1784","0.0003","8.6829","0.0003","11.5199","0.0004","90","","92.699","0.003","90","","917.06","0.05","150.1","0.5","150.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(piperidin-1-yl)prop-2-yn-1-one","","- C8 H10 I N O -","- C8 H10 I N O -","- C32 H40 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.0348","0.0252","","","0.0423","0.0462","","","","","","1.046","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519673","8.7638","0.0003","8.591","0.0003","11.4989","0.0004","90","","101.488","0.004","90","","848.41","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(morpholin-4-yl)prop-2-yn-1-one","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C28 H32 I4 N4 O8 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.71073","MoKα","","0.0318","0.0241","","","0.0457","0.0497","","","","","","1.033","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519674","10.812","0.0004","8.1725","0.0002","9.279","0.0003","90","","102.202","0.004","90","","801.38","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodopropiolamide acetonitrile complex","","- C5 H5 I N2 O -","- C5 H5 I N2 O -","- C20 H20 I4 N8 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0314","0.0242","","","0.0484","0.0532","","","","","","1.041","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519675","16.1674","0.001","4.1334","0.0003","9.0094","0.0006","90","","90","","90","","602.07","0.07","180.1","0.2","180.1","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Iodo-N-methyl-propiolamide","","- C4 H4 I N O -","- C4 H4 I N O -","- C16 H16 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0253","0.0232","","","0.0528","0.0547","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520076","12.828","0.0006","25.0953","0.0011","21.3666","0.0009","90","","131.748","0.001","90","","5131.8","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0587","0.0384","","","0.0842","0.093","","","","","","1.032","","","","has coordinates","173731","2020-10-21","18:00:00",""
"1520077","12.9112","0.0009","25.0981","0.0018","21.0634","0.0014","90","","131.739","0.001","90","","5093.1","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0723","0.0464","","","0.0924","0.1062","","","","","","1.001","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520078","12.99","0.0008","25.155","0.0014","21.7332","0.0014","90","","131.733","0.002","90","","5299.6","0.6","353","","353","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.1045","0.0503","","","0.1123","0.1385","","","","","","1.011","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520079","17.1017","0.0013","13.7034","0.0008","10.0254","0.0011","90","","105.429","0.011","90","","2264.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H0.25 O13 Zn3 -","- C12 H4 O13 Zn3 -","- C48 H16 O52 Zn12 -","4","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.7107","MoKα","","0.0731","0.0604","","","0.1414","0.1478","","","","","","1.121","","","","has coordinates","143432","2020-10-21","18:00:00",""
"1520080","12.6947","0.0008","12.8242","0.0006","14.7971","0.0007","85.11","0.004","65.988","0.005","89.663","0.004","2191.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H69 N7 O44.17 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","1","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.0708","0.0581","","","0.1542","0.1672","","","","","","1.049","","","","has coordinates,has disorder","143432","2020-10-21","18:00:00",""
"1520081","9.3468","0.0012","15.2267","0.0008","17.6517","0.0008","90","","95.599","0.008","90","","2500.2","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N2 O11 Zn1.5 -","- C17 H19 N2 O11 Zn1.5 -","- C68 H76 N8 O44 Zn6 -","4","1","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.1169","0.0875","","","0.2335","0.2587","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520118","4.7531","0.0007","15.683","0.002","14.17","0.002","90","","90.383","0.003","90","","1056.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Sinapic Acid","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0613","0.0392","","","0.1034","0.1148","","","","","","1.301","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520119","4.9109","0.0011","9.1732","0.0018","18.814","0.004","99.563","0.007","94.601","0.007","90.531","0.007","832.9","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Sinapic Acid + Nicotinamide","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C34 H36 N4 O12 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.1262","0.0536","","","0.1082","0.1322","","","","","","0.986","","","","has coordinates","143379","2020-10-21","18:00:00",""
"1520120","14.893","0.003","31.878","0.006","6.5992","0.0014","90","","95.192","0.004","90","","3120.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sinapic Acid + 4-Pyridinecarbonitrile","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0938","0.0652","","","0.1548","0.1683","","","","","","1.155","","","","has coordinates","171653","2020-10-21","18:00:00",""
"1520121","8.2922","0.0008","10.5857","0.001","14.7818","0.0015","98.274","0.002","94.315","0.002","105.62","0.002","1227.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0474","0.0393","","","0.1031","0.1089","","","","","","1.07","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520122","8.452","0.0006","10.605","0.001","14.9134","0.0013","98.535","0.003","94.47","0.003","104.13","0.003","1272.82","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0995","0.0522","","","0.1468","0.1694","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1529454","9.9296","0.0005","13.1794","0.0007","24.2673","0.0012","90","","90","","90","","3175.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NZ-105 free form","efonidipine","","- C34 H38 N3 O7 P -","- C34 H38 N3 O7 P -","- C136 H152 N12 O28 P4 -","4","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0615","0.0418","","","0.1066","0.1349","","","","","","0.858","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1529455","11.4763","0.0011","11.9281","0.0012","15.1054","0.0015","87.156","0.005","78.155","0.005","64.918","0.004","1831.3","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","NZ-105","efonidipine hydrochloride ethanolate","","- C36 H45 Cl N3 O8 P -","- C36 H44 Cl N3 O8 P -","- C72 H88 Cl2 N6 O16 P2 -","2","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0477","0.0433","","","0.1418","0.1533","","","","","","1.086","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1529456","19.0391","0.0002","19.0391","0.0002","8.0073","0.0002","90","","90","","90","","2902.54","0.08","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C14 H13 N O5 Pb -","- C14 H13 N O5 Pb -","- C112 H104 N8 O40 Pb8 -","8","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","A new small molecule gelator and 3D framework ligator of lead(ii)","CrystEngComm","2015","17","42","8139","","10.1039/C5CE01689D","","","0.71073","MoKα","","0.0379","0.0283","","","0.0409","0.043","","","","","","1.052","","","","has coordinates","171098","2020-10-21","18:00:00",""
"1529472","12.808","0.013","24.306","0.008","7.7275","0.0017","90","","90","","90","","2406","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cd3(N4CCH2COO)2(OH)2]n","[Cd3(N4CCH2COO)2(OH)2]n","","- C6 H6 Cd3 N8 O6 -","- C6 H4 Cd3 N8 O6 -","- C48 H32 Cd24 N64 O48 -","8","0.5","","Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong","An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid","CrystEngComm","2015","17","39","7473","","10.1039/C5CE01347J","","","0.71073","MoKα","","0.0236","0.0193","","","0.0304","0.0316","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530397","26.362","0.005","16.67","0.003","19.521","0.004","90","","108.29","0.03","90","","8145","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H99 Co3 Fe2 N21 O22 -","- C59 H63 Co3 Fe2 N21 O22 -","- C236 H252 Co12 Fe8 N84 O88 -","4","0.5","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1507","0.0638","","","0.1595","0.1747","","","","","","1.203","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530398","17.276","0.004","29.697","0.006","31.436","0.006","90","","98.5","0.03","90","","15951","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H164 Co6 Fe4 N42 O31 -","- C114 H126 Co6 Fe4 N42 O29 -","- C456 H504 Co24 Fe16 N168 O116 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1748","0.0742","","","0.1831","0.2116","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530399","10.187","0.002","42.792","0.009","17.083","0.003","90","","101.5","0.03","90","","7297","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H75 Co3 Fe2 N21 O12 -","- C57 H63 Co3 Fe2 N21 O11 -","- C228 H252 Co12 Fe8 N84 O44 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1999","0.094","","","0.2726","0.3198","","","","","","0.934","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540392","5.674","0.001","7.086","0.002","9.745","0.002","90","","90","","90","","391.81","0.15","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate (1.9/0.1/1) - Alpha","","- Ba0.1 O4 Si Sr1.9 -","- Ba0.1 O4 Si Sr1.9 -","- Ba0.4 O16 Si4 Sr7.6 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540393","5.6796","0.0004","7.1386","0.0006","9.7639","0.0001","90","","90","","90","","395.87","0.04","300","2","295","1","","","","","","","","5","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate Oxynitride","","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.6 N4 O16 Si4 Sr11.4 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","0.71073","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540663","12.0935","0.0006","34.0051","0.0017","31.9458","0.0016","90","","93.564","0.003","90","","13112","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N8 O8 Zn2 -","- C44 H40 N8 O8 Zn2 -","- C352 H320 N64 O64 Zn16 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1069","0.0535","","","0.1332","0.1446","","","","","","0.889","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540664","19.5006","0.0005","20.5981","0.0006","18.7188","0.0005","90","","116.064","0.001","90","","6754.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 N12 O18 Zn2 -","- C60 H76 N12 O18 Zn2 -","- C240 H304 N48 O72 Zn8 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1227","0.0701","","","0.1779","0.2044","","","","","","1.108","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540666","9.987","0.004","22.605","0.012","17.815","0.006","90","","121.513","0.017","90","","3429","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N4 O4 Zn -","- C37 H35 N4 O4 Zn -","- C148 H140 N16 O16 Zn4 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1547","0.0677","","","0.1388","0.1801","","","","","","1.021","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540667","10.3361","0.0004","20.4349","0.0007","16.2418","0.0005","90","","91.807","0.002","90","","3428.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H81 N9 O13 Zn2 -","- C60 H73 N9 O13 Zn2 -","- C120 H146 N18 O26 Zn4 -","2","0.5","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1281","0.0782","","","0.2376","0.2753","","","","","","1.095","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1546484","10.443","0.008","12.603","0.011","17.396","0.016","110.9","0.02","98.5","0.02","90.185","0.019","2112","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide + 3MeO benzoic acid From MeCN","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C88 H88 N8 O28 -","4","2","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1252","0.0657","","","0.1658","0.207","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546485","5.222","0.004","8.817","0.007","14.578","0.011","101.606","0.018","94.434","0.016","94.826","0.018","652.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","7H Benzamide + 3-Fluorobenzoic Acid","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C28 H24 F2 N2 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.182","0.0716","","","0.1504","0.2046","","","","","","0.974","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546486","11.012","0.002","4.0528","0.0008","32.335","0.006","90","","94.648","0.004","90","","1438.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","44'Bipyridyl + 2-Fluorobenzoic acid cocrystal","4,4'-Bipyridyl 2-Fluorobenzoic Acid","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0835","0.0589","","","0.1823","0.2075","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546487","8.084","0.004","12.756","0.006","9.49","0.004","90","","93.543","0.012","90","","976.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Urea and 2-Nitrobenzoic Acid","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C32 H36 N12 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1156","0.0712","","","0.176","0.2452","","","","","","0.997","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546488","10.878","0.003","12.704","0.004","15.328","0.005","90","","107.034","0.009","90","","2025.3","1.1","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide + mToluic Acid from EtOH","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1629","0.0672","","","0.1559","0.2008","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546489","27.715","0.003","7.0371","0.0007","21.947","0.002","90","","105.132","0.004","90","","4132","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Nicotinamide + 2Nitrobenzoic Acid from MeCN","","","- C20 H16 N4 O9 -","- C20 H16 N4 O9 -","- C160 H128 N32 O72 -","8","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0539","0.0401","","","0.0994","0.1092","","","","","","1.019","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546491","11.8242","0.0018","10.035","0.0015","15.06","0.002","90","","104.953","0.002","90","","1726.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Urea + 2Nitrobenzoic Acid from MecN","","","- C15 H14 N4 O9 -","- C15 H14 N4 O9 -","- C60 H56 N16 O36 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0464","0.0366","","","0.0933","0.1012","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546492","13.629","0.016","7.151","0.008","13.651","0.015","90","","115.649","0.017","90","","1199","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide 4-Fluorobenzoic Acid Cocrystal","Nicotinamide 4-Fluorobenzoic Acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C52 H44 F4 N8 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0609","0.0392","","","0.1015","0.1135","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546493","7.988","0.003","11.004","0.005","12.725","0.006","73.939","0.01","75.605","0.01","89.042","0.011","1039.5","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","7A Benzamide + 2-Nitrobenzoic Acid","Benzamide 2-nitrobenzoic acid","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C42 H34 N6 O18 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1601","0.0657","","","0.1747","0.2499","","","","","","0.909","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546494","7.1167","0.0005","7.559","0.0005","12.8081","0.0009","85.164","0.002","75.933","0.002","85.895","0.002","665.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Nicotinamide + 2Nitrobenzoic Acid","Nicotinamide 2-Nitrobenzoic Acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0556","0.0397","","","0.1046","0.1159","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546495","8.873","0.002","34.245","0.008","9.175","0.002","90","","105.942","0.008","90","","2680.7","1.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Nitrobenzoic Acid + Isonicotinamide","","","- C26 H22 N6 O10 -","- C26 H22 N6 O10 -","- C104 H88 N24 O40 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0661","0.0469","","","0.1235","0.1394","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546496","12.516","0.005","10.899","0.004","9.306","0.003","90","","95.296","0.012","90","","1264","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isonicotinamide + 2-Aminobenzoic Acid","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1847","0.0853","","","0.1978","0.2536","","","","","","1.015","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546821","9.4175","0.0005","17.1528","0.0009","28.9801","0.0016","79.223","0.003","89.723","0.004","82.329","0.003","4556.6","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H154 Br6 Cu N8 O5 -","- C80 H154 Br6 Cu N8 O5 -","- C160 H308 Br12 Cu2 N16 O10 -","2","1","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.1011","0.0919","","","0.2301","0.2348","","","","","","1.113","","","","has coordinates","210954","2020-10-21","18:00:00",""
"1546822","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","210324","2020-10-21","18:00:00",""
"1546843","8.233","0.0008","9.737","0.0008","10.4837","0.001","107.355","0.003","101.071","0.004","111.799","0.003","699.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0329","0.0282","","","0.0682","0.0707","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546845","8.0042","0.0002","11.5133","0.0003","17.4969","0.0005","90","","114.231","0.001","90","","1470.37","0.07","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 N4 Ni3 O16 -","- C28 H22 N4 Ni3 O16 -","- C56 H44 N8 Ni6 O32 -","2","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0797","0.0843","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546846","18.151","0.0009","11.5168","0.0005","15.9081","0.0008","90","","117.996","0.002","90","","2936.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Co3 N4 O16 -","- C28 H22 Co3 N4 O16 -","- C112 H88 Co12 N16 O64 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.066","0.0413","","","0.0885","0.0973","","","","","","1.008","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546847","26.783","0.003","10.9091","0.001","28.532","0.004","90","","145.631","0.006","90","","4706.1","1.2","103","4","103","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cd Cl2 N8 O9 -","- C32 H20 Cd Cl2 N8 O9 -","- C128 H80 Cd4 Cl8 N32 O36 -","4","0.5","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1372","0.1049","","","0.3075","0.3391","","","","","","1.173","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546850","9.5455","0.0004","13.8394","0.0006","17.274","0.0008","90","","102.492","0.004","90","","2227.94","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd Cl3 N6 O7 -","- C17 H11 Cd Cl3 N6 O7 -","- C68 H44 Cd4 Cl12 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0489","0.0341","","","0.0638","0.0714","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546851","17.3051","0.0005","8.1682","0.0002","12.9742","0.0004","90","","108.332","0.003","90","","1740.85","0.09","288.88","0.16","288.88","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd N6 O7 -","- C16 H10 Cd N6 O7 -","- C64 H40 Cd4 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0397","0.0293","","","0.0595","0.0663","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1549180","7.4785","0.0002","21.4405","0.0005","9.022","0.0002","90","","94.218","0.002","90","","1442.69","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N8 O6 Pb2 -","- C28 H24 N8 O6 Pb2 -","- C56 H48 N16 O12 Pb4 -","2","0.5","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","x-ray","0.71073","MoKα","","0.0226","0.018","","","0.0423","0.043","","","","","","1.043","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549181","8.5997","0.0009","10.9376","0.0007","11.7938","0.0012","72.684","0.007","80.451","0.009","82.758","0.007","1040.9","0.17","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N6 O3 Pb2 S2 -","- C16 H12 N6 O3 Pb2 S2 -","- C32 H24 N12 O6 Pb4 S4 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.0285","0.0249","","","0.0555","0.0574","","","","","","1.042","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549182","6.6742","0.0006","7.8985","0.0007","16.794","0.0015","82.614","0.005","81.44","0.005","65.269","0.005","792.99","0.13","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N4 O Pb -","- C12 H10 I2 N4 O Pb -","- C24 H20 I4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.1228","0.0897","","","0.2154","0.2394","","","","","","1.11","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549183","15.4161","0.0005","13.7171","0.0005","14.9481","0.0005","90","","94.944","0.003","90","","3149.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N10 O3 Pb S2 -","- C28 H26 N10 O3 Pb S2 -","- C112 H104 N40 O12 Pb4 S8 -","4","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.056","0.0291","","","0.0559","0.058","","","","","","0.845","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549188","10.056","0.003","10.056","0.003","10.07","0.002","90","","90","","120","","881.9","0.4","333","","333","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H4 Br2 Cl2 -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.2171","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549189","9.9153","0.0017","17.412","0.004","10.0478","0.0017","90","","101.966","0.009","90","","1697","0.6","303","","303","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C62 H4 Br2 Cl2 -","- C62 H4 Br2 Cl2 -","- C124 H8 Br4 Cl4 -","2","0.25","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549717","25.386","0.003","25.15","0.003","17.6282","0.0017","90","","114.178","0.003","90","","10268","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48.9 N6.5 O16.2 Zn2 -","- C28 H12 N2 O12 Zn2 -","- C224 H96 N16 O96 Zn16 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1643","0.0798","","","0.2117","0.2465","","","","","","1.005","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1549718","26.4534","0.0015","24.3372","0.0013","17.6488","0.0008","90","","109.622","0.002","90","","10702.5","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.15 H54.35 Cd2 N6.05 O16.05 -","- C28 H12 Cd2 N2 O12 -","- C224 H96 Cd16 N16 O96 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1268","0.0667","","","0.1764","0.2066","","","","","","1.032","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1551207","34.673","0.006","12.09","0.002","17.728","0.003","90","","119.214","0.002","90","","6486.2","1.9","200","2","200","2","","","","","","","no","4","C 1 2/c 1","-C 2yc","15","C18NMeCarbacage","C18NMeCarbaCage","","- C67 H117 N Si2 -","- C67 H117 N Si2 -","- C268 H468 N4 Si8 -","4","0.5","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.1726","0.1083","","","0.3444","0.3993","","","","","","1.291","","","","has coordinates,has disorder","223574","2020-10-21","18:00:00",""
"1551208","15.104","0.007","6.317","0.004","20.8662","0.001","90","","96.345","0.011","90","","1978.7","1.6","100","2","100","2","","","","","","","no","4","P 1 21/n 1","-P 2yn","14","TMS2MeCarba","TMS2MeCarba","","- C19 H27 N Si2 -","- C19 H27 N Si2 -","- C76 H108 N4 Si8 -","4","1","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.0605","0.0487","","","0.1114","0.114","","","","","","0.889","","","","has coordinates","223574","2020-10-21","18:00:00",""
"1565076","18.5171","0.0001","18.5171","0.0001","7.067","0.0001","90","","90","","90","","2423.15","0.04","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetone pentasolvate","","- C49 H66 B4 O13 -","- C49 H66 B4 O13 -","- C98 H132 B8 O26 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.0947","0.0958","","","0.1964","0.197","","","","","","1.214","","","","has coordinates,has disorder","271178","2021-12-07","03:09:06",""
"1565077","18.8442","0.0015","18.8442","0.0015","7.0478","0.0006","90","","90","","90","","2502.7","0.4","100","2","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethyl sulfoxide pentasolvate","","- C44 H60 B4 O13 S5 -","- C44 H60 B4 O13 S5 -","- C88 H120 B8 O26 S10 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1317","0.1168","","","0.2442","0.2522","","","","","","1.205","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565078","11.2591","0.0007","11.2591","0.0007","7.1282","0.0005","90","","90","","90","","903.62","0.1","100.01","0.1","100","1","","","","","","","","4","P -4","P -4","81","","tetrakis(4-metoxyhydroxyborylphenyl)adamantane water disolvate","","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","1","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54184","CuKα","","0.0741","0.064","","","0.1759","0.1872","","","","","","1.066","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565079","17.4201","0.0007","17.4201","0.0007","26.248","0.003","90","","90","","90","","7965.2","1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","tetrakis(4-dihydroxyborylphenyl)adamantane dioxane disolvate water monosolvate","","- C42 H54 B4 O13 -","- C42 H54 B4 O13 -","- C336 H432 B32 O104 -","8","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54178","CuKα","","0.127","0.1118","","","0.3483","0.3637","","","","","","1.67","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565080","18.7776","0.0003","18.7776","0.0003","7.0172","0.0003","90","","90","","90","","2474.25","0.12","100","2","95","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetonitrile monosolvate dimethyl sulfoxide tetrasolvate","","- C43 H61.5 B4 N0.5 O12 S4 -","- C43 H61.5 B4 N0.5 O12 S4 -","- C86 H123 B8 N O24 S8 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.1126","0.0825","","","0.2422","0.2699","","","","","","1.055","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565081","16.1648","0.0015","16.1648","0.0015","7.1212","0.0012","90","","90","","90","","1860.8","0.4","100","2","100.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-(hydroxymetoxy)borylphenyl)adamantane urea cocrystal","","- C19.5 H24 B2 N O4.5 -","- C19.5 H24 B2 N O4.5 -","- C78 H96 B8 N4 O18 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1946","0.1508","","","0.3939","0.4235","","","","","","1.114","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565082","30.202","0.013","7.1631","0.0002","25.857","0.005","90","","117.95","0.04","90","","4941","3","100","2","100","0.02","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethylformamide tetrasolvate","","- C46 H63 B4 N4 O12 -","- C46 H63 B4 N4 O12 -","- C184 H252 B16 N16 O48 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.5418","CuKα","","0.1033","0.0759","","","0.2133","0.2391","","","","","","1.02","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1566629","7.2387","0.0001","9.6411","0.0002","10.4545","0.0002","81.448","0.001","75.399","0.001","70.165","0.002","662.56","0.02","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0165","0.0164","","","0.0431","0.0432","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566630","9.9154","0.0001","12.3655","0.0001","15.4749","0.0002","106.08","0.001","99.172","0.001","91.827","0.001","1794.03","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cd N4 O6 P2 S4 -","- C26 H42 Cd N4 O6 P2 S4 -","- C52 H84 Cd2 N8 O12 P4 S8 -","2","1","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0184","0.0178","","","0.046","0.0463","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566631","9.0611","0.0003","9.2065","0.0003","10.5703","0.0004","82.436","0.003","77.672","0.003","64.113","0.003","774.27","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0159","0.0158","","","0.0396","0.0397","","","","","","1.063","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1571179","10.2478","0.0006","19.9069","0.0014","35.264","0.002","90","","94.106","0.005","90","","7175.5","0.8","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H43 Fe O13 S32 -","- C53 H43 Fe O13 S32 -","- C212 H172 Fe4 O52 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1218","0.0862","","","0.2072","0.2425","","","","","","1.037","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571180","10.3279","0.0003","20.0206","0.0005","35.3409","0.0009","90","","92.91","0.007","90","","7298","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H39 Fe O14 S32 -","- C52 H39 Fe O14 S32 -","- C208 H156 Fe4 O56 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.054","0.0382","","","0.0849","0.0919","","","","","","1.019","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571181","10.2331","0.001","11.1922","0.0009","35.2191","0.0014","89.485","0.005","86.524","0.006","62.861","0.009","3582.2","0.6","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H41 Fe O14 S32 -","- C53 H41 Fe O14 S32 -","- C106 H82 Fe2 O28 S64 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1749","0.1359","","","0.3833","0.4348","","","","","","1.514","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571182","11.1233","0.0002","11.5487","0.0002","35.1801","0.0006","89.381","0.006","85.771","0.006","69.934","0.005","4232.83","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Fe O14 S40 -","- C58 H50 Fe O15 S40 -","- C116 H100 Fe2 O30 S80 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.0844","0.0595","","","0.1699","0.1863","","","","","","1.041","","","","has coordinates","290893","2024-04-04","23:08:27",""
"1571183","24.9368","0.0006","19.4844","0.0003","31.8267","0.001","90","","108.849","0.003","90","","14634.6","0.7","293","2","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H37 Fe O12 S32 -","- C50 H37 Fe O12 S32 -","- C400 H296 Fe8 O96 S256 -","8","2","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1527","0.0706","","","0.1774","0.2294","","","","","","0.962","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1572678","8.9459","0.0002","8.9459","0.0002","5.0618","0.0002","90","","90","","120","","350.819","0.018","296.15","","296.15","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- Lu2 O6 Te -","- Lu2 O6 Te -","- Lu6 O18 Te3 -","3","0.5","","Cao, Tingting; Guo, Feifei; Hu, Fuai; Tao, Xutang; Gao, Zeliang","Novel laser crystal Lu2TeO6: crystal growth, thermal properties, and spectral analysis","CrystEngComm","2024","26","41","5953","5959","10.1039/D4CE00780H","","","0.71073","MoKα","","0.0362","0.0359","","","0.0912","0.0917","","","","","","1.151","","","","has coordinates","296451","2024-12-06","17:27:17",""
"3000424","10.759","","5.2","","12.76","","90","","90.67","","90","","713.832","","79","","79","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N3 O2 -","- C6 H8 N3 O2 -","- C24 H32 N12 O8 -","4","1","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Nishizawa, Tomohiro; Kurisu, Genji","Microcrystal electron diffraction (MicroED) structure determination of a mechanochemically synthesized co-crystal not affordable from solution crystallization","CrystEngComm","2023","","","","","10.1039/D2CE01522F","","","0.02508","electrons","","0.1822","0.112","","","0.299","0.3195","","","","","","1.026","","","","has coordinates","280265","2023-01-10","03:55:24",""
"7200143","13.7323","","13.655","","13.8872","","91.2324","","105.339","","135.775","","1663.08","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C24 H24 N16 Zn4 -","- C24 H24 N16 Zn4 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200144","16.6271","","16.6548","","16.7851","","109.485","","109.441","","108.625","","3615.54","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200145","26.8755","","26.9156","","16.5745","","90.0223","","89.9957","","119.88","","10395.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C144 H144 N96 Zn24 -","- C144 H144 N96 Zn24 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200146","18.5541","","18.5075","","18.6002","","60.4969","","60.5442","","60.3932","","4565.17","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C60 H60 N40 Zn10 -","- C60 H60 N40 Zn10 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200147","18.8838","","18.9879","","26.3157","","45.7259","","46.089","","83.987","","3297.57","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200148","23.764","","23.7638","","23.7639","","118.093","","118.093","","118.093","","4761.33","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200149","9.625","0.005","15.381","0.011","27.53","0.015","90","","90","","90","","4076","4","294","2","294","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H12 Nd O10 -","- C5 H12 Nd O10 -","- C80 H192 Nd16 O160 -","16","0.5","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0226","0.0201","","","0.0476","0.049","","","","","","1.083","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200150","6.2366","0.0008","9.4082","0.0012","15.699","0.002","90","","93.103","0.002","90","","919.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Gd Na O10 -","- C5 H6 Gd Na O10 -","- C20 H24 Gd4 Na4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0342","0.0312","","","0.0819","0.0837","","","","","","1.053","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200151","6.2755","0.0008","9.4656","0.0012","15.795","0.002","90","","93.158","0.002","90","","936.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Eu Na O10 -","- C5 H6 Eu Na O10 -","- C20 H24 Eu4 Na4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0279","0.0238","","","0.0545","0.0559","","","","","","1.128","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200152","6.3","0.004","9.5","0.006","16.06","0.009","90","","92.978","0.008","90","","959.9","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Na Nd O10 -","- C5 H2 Na Nd O10 -","- C20 H8 Na4 Nd4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.7107","MoKα","","0.0311","0.0257","","","0.077","0.0847","","","","","","0.657","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200153","6.21","0.004","9.381","0.005","15.633","0.009","90","","93.053","0.008","90","","909.4","0.9","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N0 Na O10 Tb -","- C5 H2 Na O10 Tb -","- C20 H8 Na4 O40 Tb4 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.7107","MoKα","","0.0564","0.0467","","","0.0899","0.0949","","","","","","0.906","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200154","5.805","0.005","26.19","0.02","12.117","0.01","90","","91.596","0.014","90","","1841","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H26 N4 O12 S Zn2 -","- C40 H24 N4 O12 S Zn2 -","- C80 H48 N8 O24 S2 Zn4 -","2","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.1009","0.0718","","","0.1718","0.1825","","","","","","1.005","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200155","12.6202","0.0012","13.3522","0.0013","24.748","0.002","90","","97.028","0.001","90","","4138.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H26 F6 N4 O10 Zn2 -","- C43 H24 F6 N4 O10 Zn2 -","- C172 H96 F24 N16 O40 Zn8 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0418","0.0342","","","0.1015","0.1052","","","","","","1.002","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200156","23.337","0.0017","13.429","0.001","29.654","0.002","90","","108.503","0.001","90","","8812.9","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H50 Cu3 F18 N6 O25 -","- C93 H50 Cu3 F18 N6 O25 -","- C372 H200 Cu12 F72 N24 O100 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0643","0.0445","","","0.1147","0.1235","","","","","","1.026","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200157","7.6241","0.001","15.4069","0.0019","25.531","0.003","90","","90","","90","","2999","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19.08 Cu F6 N2 O9.54 -","- C29 H16 Cu F6 N2 O9.54 -","- C116 H64 Cu4 F24 N8 O38.16 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.051","0.0391","","","0.0788","0.0839","","","","","","1.006","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200158","19.1842","0.0019","43.462","0.004","15.4484","0.0015","90","","90","","90","","12881","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H23.4 Cu2 N3 O12.7 S -","- C31 H18 Cu2 N3 O12.7 S -","- C496 H288 Cu32 N48 O203.2 S16 -","16","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0508","0.046","","","0.1258","0.1291","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200159","19.619","0.0012","15.5116","0.001","13.2862","0.0008","90","","94.343","0.001","90","","4031.7","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N4 O18 S Zn2 -","- C36 H18 N4 O18 S Zn2 -","- C144 H72 N16 O72 S4 Zn8 -","4","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0913","0.0774","","","0.203","0.2089","","","","","","1.185","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200160","10.6423","0.0018","12.354","0.002","16.323","0.003","79.113","0.003","79.926","0.004","83.023","0.002","2066.3","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Cd9 N2 O52 -","- C74 H66 Cd9 N2 O52 -","- C74 H66 Cd9 N2 O52 -","1","0.5","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0805","0.0535","","","0.1036","0.1084","","","","","","1.108","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200161","10.2134","0.0004","11.704","0.0005","12.3421","0.0005","79.72","0.001","79.268","0.001","72.608","0.001","1371.35","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd2 N2 O11 -","- C28 H24 Cd2 N2 O11 -","- C56 H48 Cd4 N4 O22 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0584","0.0479","","","0.116","0.1192","","","","","","1.14","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200162","10.1503","0.001","15.0272","0.0015","16.7597","0.0017","66.575","0.002","77.358","0.003","81.22","0.001","2282.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 Cd4 N2 O21 -","- C45 H35 Cd4 N2 O21 -","- C90 H70 Cd8 N4 O42 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0837","0.0584","","","0.1297","0.135","","","","","","1.073","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200163","10.0622","0.0006","11.1733","0.0007","13.245","0.0008","89.417","0.001","75.185","0.001","76.937","0.001","1400.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd2 N4 O9 -","- C30 H22 Cd2 N4 O9 -","- C60 H44 Cd4 N8 O18 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0572","0.0358","","","0.0594","0.0643","","","","","","0.934","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200164","8.9463","0.0014","12.335","0.002","12.338","0.002","90","","105.704","0.003","90","","1310.7","0.4","290","2","290","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","3-Cyclohexyl-1H-isochromene-1-thione","","","- C15 H16 O S -","- C15 H16 O S -","- C60 H64 O4 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0785","0.0454","","","0.1055","0.1173","","","","","","1.014","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200165","7.4622","0.0008","12.2143","0.0012","14.4832","0.0015","81.027","0.002","83.319","0.002","85.407","0.002","1292.5","0.2","290","2","290","2","","","","","","","see text","4","P -1","-P 1","2","3-p-tolyl-1H-isochromene-1-thione","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","2","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.088","0.0564","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200166","7.5948","0.0014","10.988","0.002","15.526","0.003","90","","96.149","0.003","90","","1288.2","0.4","290","2","290","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","3-(4-methoxyphenyl)-1H-isochromene-1-thione","","","- C16 H12 O2 S -","- C16 H12 O2 S -","- C64 H48 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.096","0.1032","","","","","","1.03","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200167","4.0478","0.0006","13.5257","0.0019","19.18","0.003","90","","90","","90","","1050.1","0.3","290","2","290","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","3-(2- Furyl)-1H-isochromene-1-thione","","","- C13 H8 O2 S -","- C13 H8 O2 S -","- C52 H32 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0401","0.0323","","","0.0702","0.0722","","","","","","1.085","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200168","3.8992","0.0005","15.2947","0.0018","19.007","0.002","90","","92.701","0.002","90","","1132.3","0.2","290","2","290","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O S -","- C15 H10 O S -","- C60 H40 O4 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.1249","0.0752","","","0.1375","0.1519","","","","","","1.155","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200169","5.4076","0.001","8.536","0.002","21.321","0.004","90","","94.219","0.003","90","","981.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N5 O4 P Zn -","- C6 H6 N5 O4 P Zn -","- C24 H24 N20 O16 P4 Zn4 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0273","0.0255","","","0.0598","0.0607","","","","","","1.094","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200170","6.9577","0.0005","9.1474","0.0007","9.4756","0.0007","100.334","0.002","105.472","0.002","107.665","0.002","531.09","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd N10 O10 P2 -","- C12 H18 Cd N10 O10 P2 -","- C12 H18 Cd N10 O10 P2 -","1","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0177","0.0174","","","0.0456","0.0458","","","","","","1.06","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200171","7.148","0.0012","7.733","0.0013","8.6938","0.0015","88.434","0.003","89.527","0.003","80.241","0.002","473.42","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 N10 O6 Zn -","- C12 H20 N10 O6 Zn -","- C12 H20 N10 O6 Zn -","1","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.025","0.0247","","","0.0636","0.0638","","","","","","1.12","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200172","21.546","0.006","6.928","0.002","11.201","0.003","90","","95.737","0.005","90","","1663.6","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N10 O6 Zn -","- C12 H16 N10 O6 Zn -","- C48 H64 N40 O24 Zn4 -","4","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0357","0.0313","","","0.0795","0.0827","","","","","","1.049","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200173","21.403","0.003","6.9036","0.0009","11.1612","0.0014","90","","95.837","0.002","90","","1640.6","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N10 Ni O6 -","- C12 H16 N10 Ni O6 -","- C48 H64 N40 Ni4 O24 -","4","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0356","0.0301","","","0.0767","0.0801","","","","","","1.05","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200174","6.659","0.0008","8.1864","0.001","14.14","0.002","90","","90.398","0.002","90","","770.8","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C24 H24 N8 O20 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.05","0.0313","","","0.07","0.0754","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200175","18.947","0.003","9.033","0.0014","9.4944","0.0014","90","","92.736","0.002","90","","1623.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0501","0.0453","","","0.118","0.124","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200180","18.991","0.004","9.987","0.002","24.707","0.005","90","","100.697","0.003","90","","4604.6","1.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Au2 Cd N6 O2 -","- C19 H16 Au2 Cd N6 O2 -","- C152 H128 Au16 Cd8 N48 O16 -","8","1","","Guo, Yang; Liu, Zhan-Quan; Zhao, Bin; Feng, Yu-Hua; Xu, Gong-Feng; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","Two [Au(CN)2]−-bridged heterometallic coordination polymers directed by different 2,2′-bipyridyl-like ligands","CrystEngComm","2009","11","1","61","","10.1039/b809381d","","","0.71073","MoKα","","0.0963","0.0636","","","0.153","0.1705","","","","","","1.03","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200181","8.9349","0.0019","8.9349","0.0019","19.992","0.004","90","","90","","120","","1382.2","0.5","294","2","294","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C14 H8 Au2 Cd N6 -","- C14 H8 Au2 Cd N6 -","- C42 H24 Au6 Cd3 N18 -","3","0.5","","Guo, Yang; Liu, Zhan-Quan; Zhao, Bin; Feng, Yu-Hua; Xu, Gong-Feng; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","Two [Au(CN)2]−-bridged heterometallic coordination polymers directed by different 2,2′-bipyridyl-like ligands","CrystEngComm","2009","11","1","61","","10.1039/b809381d","","","0.71073","MoKα","","0.0555","0.0346","","","0.0589","0.0654","","","","","","0.968","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200182","23.9993","0.0019","10.2755","0.0008","7.4265","0.0007","90","","90","","90","","1831.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Mn2 N18 O7 -","- C4 H16 Mn2 N18 O7 -","- C16 H64 Mn8 N72 O28 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0218","0.0211","","","0.0601","0.0605","","","","","","1","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200183","9.476","0.0012","9.4375","0.0011","8.2912","0.001","90","","109.035","0.007","90","","700.94","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Co N18 Na2 O2 -","- C4 H6 Co N18 Na2 O2 -","- C8 H12 Co2 N36 Na4 O4 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0281","0.0245","","","0.0621","0.0644","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200184","6.3962","0.0001","9.2177","0.0002","14.241","0.0003","90","","93.831","0.001","90","","837.75","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 Cu N9 O2 -","- C2 H5 Cu N9 O2 -","- C8 H20 Cu4 N36 O8 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0297","0.0274","","","0.074","0.0755","","","","","","1.077","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200185","11.3207","0.0003","13.0862","0.0004","15.3142","0.0004","90","","102.104","0.002","90","","2218.28","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Co2 N54 O9 -","- C12 H28 Co2 N54 O9 -","- C24 H56 Co4 N108 O18 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0493","0.0423","","","0.1144","0.1197","","","","","","1.074","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200186","6.4026","0.0007","9.7202","0.0009","10.5861","0.0009","90","","95.079","0.005","90","","656.23","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Mn N9 O -","- C2 H3 Mn N9 O -","- C8 H12 Mn4 N36 O4 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0298","0.028","","","0.071","0.0718","","","","","","1.081","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200187","9.4412","0.0002","9.6151","0.0002","8.6398","0.0002","90","","108.874","0.002","90","","742.13","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Mn N18 Na2 O2 -","- C4 H6 Mn N18 Na2 O2 -","- C8 H12 Mn2 N36 Na4 O4 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.043","0.0322","","","0.0724","0.0772","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200188","14.3137","0.0003","14.3137","0.0003","13.7292","0.0007","90","","90","","120","","2436.01","0.14","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Mn7 N54 O14 -","- C12 H24 Mn7 N54 O14 -","- C24 H48 Mn14 N108 O28 -","2","0.166667","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0231","0.0218","","","0.0653","0.0662","","","","","","1.056","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200189","12.4745","0.0004","12.4745","0.0004","26.721","0.002","90","","90","","90","","4158.1","0.4","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 Cu N3 O6.5 -","- C20 H21 Cu N3 O6.5 -","- C160 H168 Cu8 N24 O52 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0458","0.0363","","","0.0899","0.0946","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200190","14.6453","0.0012","16.9993","0.0013","10.4297","0.0008","90","","120.913","0.001","90","","2227.7","0.3","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd N3 O8 -","- C20 H25 Cd N3 O8 -","- C80 H100 Cd4 N12 O32 -","4","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0175","0.0172","","","0.0413","0.0415","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200191","12.5412","0.0009","12.5412","0.0009","27.227","0.004","90","","90","","90","","4282.3","0.8","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N3 O6.5 Zn -","- C20 H19.6 N3 O6.5 Zn -","- C160 H156.8 N24 O52 Zn8 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0992","0.0674","","","0.1739","0.1918","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200193","12.18","0.004","7.501","0.003","14.277","0.005","90","","100.286","0.007","90","","1283.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0997","0.0619","","","0.1304","0.1475","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200194","12.388","0.013","8.051","0.009","14.256","0.015","90","","103.305","0.018","90","","1384","3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0699","0.0466","","","0.1245","0.1376","","","","","","0.96","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200195","9.2835","0.0011","7.2943","0.0009","20.794","0.002","90","","97.444","0.002","90","","1396.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0518","0.0369","","","0.0876","0.0942","","","","","","1.03","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200196","5.4468","0.0009","20.778","0.003","12.482","0.002","90","","102.427","0.003","90","","1379.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0503","0.0361","","","0.0823","0.0889","","","","","","1.045","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200197","8.502","0.003","5.3559","0.0018","27.363","0.009","90","","95.564","0.006","90","","1240.1","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0655","0.0525","","","0.126","0.1328","","","","","","1.038","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200198","7.228","0.007","13.308","0.013","14.521","0.015","90","","93.675","0.019","90","","1394","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.1755","0.1357","","","0.3958","0.4175","","","","","","1.141","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200199","7.4402","0.0006","12.4535","0.001","14.6016","0.0012","91.272","0.001","98.994","0.001","96.309","0.001","1327.14","0.19","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","2","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0492","0.0342","","","0.0785","0.0847","","","","","","1.023","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200200","8.667","0.003","5.2323","0.0018","30.304","0.011","90","","96.248","0.006","90","","1366.1","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0675","0.0459","","","0.1064","0.1186","","","","","","1.034","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200201","5.757","0.002","7.198","0.003","14.862","0.006","101.081","0.006","99.217","0.006","90.859","0.006","595.9","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C28 H20 N8 O4 -","2","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0414","0.0363","","","0.0996","0.1042","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200202","29.52","0.02","7.057","0.005","13.022","0.009","90","","97.405","0.012","90","","2690","3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C112 H72 Br8 N32 O16 -","8","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0556","0.0385","","","0.0953","0.1037","","","","","","1.01","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200203","7.5222","0.0008","14.1697","0.0015","13.0479","0.0014","90","","90.391","0.002","90","","1390.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0547","0.0387","","","0.0958","0.1033","","","","","","1.041","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200204","9.6141","0.0015","12.0915","0.0019","12.9","0.002","87.535","0.002","71.407","0.002","76.183","0.002","1379.3","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","2","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0674","0.0429","","","0.1159","0.1284","","","","","","1.019","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200207","8.3614","0.0007","10.4963","0.0009","11.71","0.001","82.114","0.002","86.716","0.002","66.74","0.002","935.25","0.14","294","2","294","2","","","","","","","","3","P -1","-P 1","2","bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate","bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate","","- C46 H48 O6 -","- C46 H48 O6 -","- C46 H48 O6 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0554","0.0476","","","0.1382","0.1466","","","","","","1.06","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200208","17.069","0.004","10.694","0.003","26.52","0.007","90","","107.367","0.005","90","","4620","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","triphenylmethanaminium trifluoroacetate 2-methoxyethanol clathrate","triphenylmethanaminium trifluoroacetate 2-methoxyethanol clathrate","","- C24 H26 F3 N O4 -","- C24 H26 F3 N O4 -","- C192 H208 F24 N8 O32 -","8","1","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0679","0.0428","","","0.1215","0.1344","","","","","","1.011","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200209","8.4707","0.0006","12.4699","0.0009","12.86","0.0009","115.372","0.001","97.929","0.001","99.54","0.001","1176.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(3-(hydroxy(diphenyl)methyl)benzenesulfonamide) 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate","bis{3-[hydroxy(diphenyl)methyl]benzenesulfonamide} 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate","","- C50 H58 N2 O12 S2 -","- C50 H58 N2 O12 S2 -","- C50 H58 N2 O12 S2 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0548","0.0393","","","0.0963","0.1025","","","","","","0.925","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200210","14.7301","0.0015","16.1984","0.0016","9.729","0.001","90","","103.973","0.002","90","","2252.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (triphenylmethanaminium thiocyanate) 1,4,7,10- tetraoxacyclododecane clathrate","bis (triphenylmethanaminium thiocyanate) 1,4,7,10-tetraoxacyclododecane clathrate","","- C48 H52 N4 O4 S2 -","- C48 H52 N4 O4 S2 -","- C96 H104 N8 O8 S4 -","2","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.162","0.0537","","","0.1173","0.1326","","","","","","0.831","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200211","8.4675","0.0008","10.2973","0.0013","11.943","0.002","84.058","0.009","88.008","0.012","67.966","0.008","960.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate","bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate","","- C46 H50 N2 O4 -","- C46 H50 N2 O4 -","- C46 H50 N2 O4 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0565","0.0412","","","0.111","0.1184","","","","","","1.042","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200212","21.179","0.0005","17.0734","0.0004","16.6258","0.0004","90","","114.634","0.001","90","","5464.7","0.2","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","cocrystal pentafluorophenol * pentafluoroaniline 6:3","cocrystal pentafluorophenol * pentafluoroaniline 6:3","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C216 H48 F180 N12 O24 -","12","3","","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Additive induced polymorphism. The pentafluorophenol‒pentafluoroaniline system","CrystEngComm","2009","11","2","229","231","10.1039/b810088h","","","0.71073","MoKα","","0.0826","0.0446","","","0.1293","0.1612","","","","","","1.011","","","","has coordinates","218383","2020-10-21","18:00:00",""
"7200213","8.8779","0.0014","14.465","0.002","13.422","0.002","90","","108.114","0.003","90","","1638.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H16 Ag B F4 N2 -","- C17.5 H8 Ag B F4 N2 -","- C70 H32 Ag4 B4 F16 N8 -","4","1","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0425","0.0384","","","0.0949","0.0979","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200214","7.4242","0.0006","19.9968","0.0017","12.8576","0.001","90","","92.527","0.002","90","","1907","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag Cl N2 O4 -","- C20 H14 Ag Cl N2 O4 -","- C80 H56 Ag4 Cl4 N8 O16 -","4","1","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.053","0.0422","","","0.0894","0.0941","","","","","","1.28","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200215","3.809","0.0002","7.4518","0.0004","8.2086","0.0005","87.936","0.001","85.485","0.001","82.126","0.001","230","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","T2CN2","","","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","1","0.5","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0254","0.0236","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200216","13.6376","0.0019","13.6376","0.0019","6.2054","0.0017","90","","90","","90","","1154.1","0.4","200","2","200","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag B F4 N4 S4 -","- C20 H8 Ag B F4 N4 S4 -","- C40 H16 Ag2 B2 F8 N8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0455","0.04","","","0.0866","0.0885","","","","","","1.348","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200217","13.834","0.005","13.834","0.005","6.162","0.004","90","","90","","90","","1179.3","1","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag Cl N4 O4 S4 -","- C20 H8 Ag Cl N4 O4 S4 -","- C40 H16 Ag2 Cl2 N8 O8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0358","0.0299","","","0.0715","0.0759","","","","","","1.342","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200218","12.4505","0.0015","24.448","0.003","19.153","0.002","90","","104.069","0.004","90","","5655.1","1.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C240 H288 N24 O48 -","12","6","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1856","0.0636","","","0.1519","0.1978","","","","","","0.947","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200219","9.2621","0.0006","11.5931","0.0007","34.72","0.002","90","","90","","90","","3728.1","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0572","0.0377","","","0.0965","0.106","","","","","","1.048","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200220","8.346","0.002","8.243","0.002","24.679","0.006","90","","90","","90","","1697.8","0.7","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1301","0.0671","","","0.1652","0.1917","","","","","","1.056","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200221","13.9348","0.0018","8.862","0.0011","14.1261","0.0017","90","","100.712","0.004","90","","1714","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1135","0.0339","","","0.0612","0.0674","","","","","","0.682","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200222","12.5428","0.001","34.337","0.003","3.873","0.0003","90","","90","","90","","1668","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0446","0.0306","","","0.0712","0.0767","","","","","","1.045","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200223","5.3467","0.0004","17.2757","0.0013","11.5764","0.0009","90","","90.98","0.003","90","","1069.13","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0486","0.0416","","","0.1154","0.1178","","","","","","1.155","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200224","17.7236","0.0006","22.0059","0.0007","9.8501","0.0003","90","","90","","90","","3841.8","0.2","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C160 H192 N16 O48 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0552","0.0431","","","0.1166","0.1273","","","","","","1.029","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200225","13.0229","0.0013","3.8561","0.0003","22.048","0.002","90","","104.322","0.004","90","","1072.79","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0434","0.0314","","","0.0816","0.0882","","","","","","1.041","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200226","11.59","0.003","13.283","0.003","13.73","0.003","90","","90","","90","","2113.7","0.9","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.074","0.0395","","","0.0852","0.0963","","","","","","1.053","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200227","7.5378","0.0009","7.9689","0.0008","9.6533","0.0012","70.378","0.004","77.017","0.004","79.533","0.004","528.64","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","1","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0766","0.0508","","","0.149","0.1584","","","","","","1.127","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200228","7.4937","0.0004","10.0957","0.0005","15.2981","0.001","90","","98.025","0.003","90","","1146.03","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0701","0.0535","","","0.1415","0.1503","","","","","","1.059","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200229","9.571","0.004","6.751","0.002","11.093","0.004","90","","113.3","0.005","90","","658.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Eu N2 O12 -","- C7 H13 Eu N2 O12 -","- C14 H26 Eu2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0424","0.0402","","","0.1052","0.1073","","","","","","1.089","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200230","9.69","0.0016","6.8211","0.0014","11.236","0.003","90","","113.333","0.008","90","","681.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Gd N2 O12 -","- C7 H13 Gd N2 O12 -","- C14 H26 Gd2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0658","0.0592","","","0.1555","0.1653","","","","","","1.079","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200231","9.5054","0.001","6.5175","0.0007","17.0878","0.0018","90","","90","","90","","1058.61","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 N2 O9 Yb -","- C7 H7 N2 O9 Yb -","- C28 H28 N8 O36 Yb4 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0695","0.0704","","","","","","1.051","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200232","9.5384","0.0008","6.5495","0.0006","17.1693","0.0015","90","","90","","90","","1072.6","0.16","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 Er N2 O9 -","- C7 H7 Er N2 O9 -","- C28 H28 Er4 N8 O36 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0214","0.0196","","","0.0468","0.0473","","","","","","1.096","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200233","18.5354","0.0009","6.5819","0.0003","14.7391","0.0007","90","","91.987","0.001","90","","1797.06","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 O4 -","- C20 H16 N6 O4 -","- C80 H64 N24 O16 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0438","0.0333","","","0.0858","0.0992","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200234","6.255","0.002","7.187","0.002","20.272","0.004","83.78","0.03","86.62","0.03","79.03","0.02","888.7","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 O4 -","- C20 H16 N6 O4 -","- C40 H32 N12 O8 -","2","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.1681","0.0503","","","0.0853","0.1037","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200235","17.5638","0.0013","7.371","0.0006","14.4866","0.0011","90","","93.01","0.001","90","","1872.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N7 O4 -","- C20 H17 N7 O4 -","- C80 H68 N28 O16 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0637","0.0389","","","0.0938","0.1048","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200236","7.1997","0.0008","21.912","0.002","14.196","0.0015","90","","98.116","0.001","90","","2217.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O9 S -","- C20 H20 N6 O9 S -","- C80 H80 N24 O36 S4 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0649","0.0457","","","0.1171","0.1264","","","","","","1.067","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200237","7.3454","0.0007","37.522","0.003","8.5441","0.0008","90","","113.35","0.001","90","","2162","0.3","294","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N6 O8 -","- C21 H20 N6 O8 -","- C84 H80 N24 O32 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0453","0.0409","","","0.1035","0.1067","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200238","6.9422","0.0002","10.1547","0.0004","14.1896","0.0005","81.003","0.002","76.327","0.002","70.344","0.002","912.09","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Adenine - benzoic acid (1:2) co-crystal","","- C19 H17 N5 O4 -","- C19 H17 N5 O4 -","- C38 H34 N10 O8 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0562","0.0415","","","0.0946","0.1007","","","","","","1.045","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200239","8.9781","0.0005","9.9334","0.0005","14.2815","0.0007","74.908","0.003","85.357","0.003","66.786","0.003","1129.84","0.11","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Adenine - adipic acid (2:1) dimethanolate","","- C18 H28 N10 O6 -","- C18 H28 N10 O6 -","- C36 H56 N20 O12 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0757","0.0462","","","0.1075","0.1198","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200240","7.0966","0.0003","7.2069","0.0003","23.563","0.0011","90","","93.978","0.003","90","","1202.21","0.09","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Adenine 2,6-dihydroxybenzoate","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0877","0.0512","","","0.1077","0.1245","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200241","6.9541","0.0002","15.216","0.0006","7.0195","0.0003","90","","118.59","","90","","652.19","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","Adenine 2,6-dihydroxybenzoate hydrate","","- C12 H13 N5 O5 -","- C12 H13 N5 O5 -","- C24 H26 N10 O10 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0565","0.0541","","","0.1583","0.1598","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200242","7.1636","0.0002","7.9486","0.0003","24.7336","0.0009","90","","91.248","0.002","90","","1408.01","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","Adenine 2-hydroxybenzoate methanolate","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C52 H60 N20 O16 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0655","0.0464","","","0.1126","0.1227","","","","","","1.053","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200243","11.6347","0.0005","14.9993","0.0008","7.9794","0.0004","90","","91.496","0.003","90","","1392.03","0.12","120","2","120","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","[Adenine hydroxide] [3,5-dihydroxybenzoic acid hydrate]","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.069","0.0572","","","0.1166","0.1245","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200244","17.8896","0.0008","7.3769","0.0004","6.782","0.0004","90","","97.31","0.003","90","","887.74","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C40 H36 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0688","0.0462","","","0.1246","0.1361","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200245","36.2306","0.0016","5.4899","0.0001","26.446","0.0011","90","","95.6441","0.0012","90","","5234.7","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C240 H216 N72 -","24","3","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0986","0.0488","","","0.1032","0.1221","","","","","","1.002","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200246","7.7717","0.0004","11.544","0.0007","13.2696","0.0009","71.552","0.003","89.896","0.004","87.983","0.004","1128.57","0.12","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0788","0.0676","","","0.1732","0.1825","","","","","","1.092","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200247","46.0671","0.0008","6.2813","0.0001","7.4605","0.0002","90","","96.0684","0.0013","90","","2146.68","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0364","0.0335","","","0.0849","0.0867","","","","","","1.058","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200248","12.6457","0.0009","7.7132","0.0006","37.641","0.003","90","","97.728","0.002","90","","3638.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H9 F9 N3 -","- C18.9988 H9 F8.9988 N3 -","- C151.99 H72 F71.9904 N24 -","8","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0748","0.0646","","","0.1356","0.1407","","","","","","1.14","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200249","17.7639","0.0004","7.0692","0.0002","14.1054","0.0005","90","","105.935","0.0016","90","","1703.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N3 -","- C20 H11 F6 N3 -","- C80 H44 F24 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.059","0.0398","","","0.0992","0.1088","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200250","14.7028","0.0006","7.3888","0.0004","13.7709","0.0005","90","","110.236","0.003","90","","1403.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F3 N3 -","- C17 H11 F3 N3 -","- C68 H44 F12 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0609","0.0459","","","0.1214","0.1319","","","","","","1.039","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200251","7.491","0.0001","19.127","0.0004","15.82","0.0004","90","","92.867","0.0015","90","","2263.86","0.08","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag B F4 N6 O1.43 -","- C20 H18 Ag B F4 N6 O1.418 -","- C80 H72 Ag4 B4 F16 N24 O5.672 -","4","0.5","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0392","0.0328","","","0.0815","0.0857","","","","","","1.037","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200252","18.854","0.0005","13.3354","0.0003","10.1094","0.0003","90","","97.6513","0.0015","90","","2519.13","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag B F4 N6 -","- C28 H22 Ag B F4 N6 -","- C112 H88 Ag4 B4 F16 N24 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0629","0.0378","","","0.0749","0.0831","","","","","","1.029","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200253","21.7294","0.0013","9.7649","0.0006","12.1235","0.0007","90","","98.099","0.004","90","","2546.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag B F4 N6 -","- C28 H22 Ag B F4 N6 -","- C112 H88 Ag4 B4 F16 N24 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.1629","0.0909","","","0.2069","0.2454","","","","","","1.078","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200254","6.9907","0.0006","8.0552","0.0007","15.3027","0.0013","79.305","0.005","89.038","0.005","64.66","0.005","763.37","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(4-bromo-PhC(CN)(=NOH)), 3-bromo-5-methoxypyridine","(4-bromo-PhC(CN)(=NOH)), 3-bromo-5-methoxypyridine","","- C14 H11 Br2 N3 O2 -","- C14 H11 Br2 N3 O2 -","- C28 H22 Br4 N6 O4 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0686","0.0576","","","0.1633","0.1704","","","","","","1.128","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200255","4.9374","0.0006","22.597","0.003","19.233","0.002","90","","96.869","0.002","90","","2130.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)-2- methylbenzimidazole","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)-2-methylbenzimidazole","","- C23 H18 Br2 N4 O -","- C23 H18 Br2 N4 O -","- C92 H72 Br8 N16 O4 -","4","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0493","0.0339","","","0.0825","0.0888","","","","","","1.021","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200256","5.3033","0.0006","13.2294","0.0015","15.0601","0.0017","102.536","0.002","99.505","0.002","94.752","0.002","1009.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)benzimidazole","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)benzimidazole","","- C22 H16 Br2 N4 O -","- C22 H16 Br2 N4 O -","- C44 H32 Br4 N8 O2 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0334","0.0271","","","0.0711","0.0736","","","","","","1.077","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200257","6.039","0.003","13.982","0.006","14.166","0.006","70.067","0.019","83.78","0.03","82.22","0.03","1111.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","4-bromo-PhC(CN)(N=OH), (3-((5,6-dimethylbenzimidazol-1- yl)methyl)PhCN","4-bromo-PhC(CN)(N=OH), (3-[(5,6-dimethylbenzimidazol-1-yl)methyl]PhCN","","- C25 H20 Br N5 O -","- C25 H20 Br N5 O -","- C50 H40 Br2 N10 O2 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.2524","0.0716","","","0.1546","0.2081","","","","","","0.795","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200258","3.8189","0.0006","11.2941","0.0018","14.107","0.002","98.884","0.01","93.147","0.011","94.624","0.01","597.79","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(2-fluoro-PhC(CN)(=NOH))2, 1,2-di(4-pyridyl)ethene","[2-fluoro-PhC(CN)(=NOH)]2, 1,2-di(4-pyridyl)ethene","","- C28 H20 F2 N6 O2 -","- C28 H20 F2 N6 O2 -","- C28 H20 F2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0869","0.0597","","","0.1588","0.1754","","","","","","1.017","","","","has coordinates,has disorder","218430","2020-10-21","18:00:00",""
"7200259","13.6335","0.001","4.4402","0.0003","27.297","0.002","90","","94.084","0.003","90","","1648.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","481 1,4-di((1-benzimidazolyl)methyl)benzene, (3-chloro- PhC(CN)(=NOH))2","481 1,4-di[(1-benzimidazolyl)methyl]benzene, [3-chloro-PhC(CN)(=NOH)]2","","- C38 H28 Cl2 N8 O2 -","- C38 H28 Cl2 N8 O2 -","- C76 H56 Cl4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0634","0.0418","","","0.1013","0.1118","","","","","","1.078","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200260","16.1659","0.0012","6.4146","0.0005","21.0074","0.0016","90","","105.945","0.005","90","","2094.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MS 512 1-(4-pyridylmethyl)-5,6-Me2benzimidazole, 4-F- PhC(CN)(NOH)","MS 512 1-(4-pyridylmethyl)-5,6-Me2benzimidazole, 4-F-PhC(CN)(NOH)","","- C23 H20 F N5 O -","- C23 H20 F N5 O -","- C92 H80 F4 N20 O4 -","4","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.1597","0.0531","","","0.1011","0.1323","","","","","","0.945","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200261","11.2155","0.0005","28.9919","0.0013","11.9052","0.0005","90","","111.216","0.001","90","","3608.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H49 Ce N16 O20 -","- C16 H47 Ce N16 O20 -","- C64 H188 Ce4 N64 O80 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network","CrystEngComm","2009","11","1","82","86","10.1039/b811376a","","","0.71073","MoKα","","0.049","0.0418","","","0.0874","0.0902","","","","","","1.071","","","","has coordinates,has disorder","218438","2020-10-21","18:00:00",""
"7200262","11.2104","0.0017","28.98","0.004","11.911","0.0018","90","","111.184","0.002","90","","3608.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H49 N16 Nd O20 -","- C16 H47 N16 Nd O20 -","- C64 H188 N64 Nd4 O80 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network","CrystEngComm","2009","11","1","82","86","10.1039/b811376a","","","0.71073","MoKα","","0.0586","0.0478","","","0.1152","0.1205","","","","","","1.131","","","","has coordinates,has disorder","218438","2020-10-21","18:00:00",""
"7200263","18.438","0.002","14.6","0.0016","15.5025","0.0017","90","","90.14","0.001","90","","4173.2","0.8","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Mn2 N4 O8 -","- C22 H20 Mn N2 O4 -","- C176 H160 Mn8 N16 O32 -","8","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0398","0.0376","","","0.1058","0.1079","","","","","","1.083","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200264","24.291","0.003","13.5583","0.0018","16.28","0.002","90","","110.495","0.002","90","","5022.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Mn2 N4 O11 -","- C48 H50 Mn2 N4 O11 -","- C192 H200 Mn8 N16 O44 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.1949","0.1318","","","0.2909","0.3305","","","","","","1.055","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200265","10.309","0.0012","11.4973","0.0014","11.498","0.0014","73.492","0.001","71.723","0.001","76.497","0.001","1225","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N2 O4 -","- C24 H24 Mn N2 O4 -","- C48 H48 Mn2 N4 O8 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.064","0.0519","","","0.1385","0.1525","","","","","","1.044","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200266","9.934","0.011","10.242","0.011","11.064","0.012","78.351","0.012","82.391","0.013","67.257","0.012","1014.9","1.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Mn N2 O4 -","- C21 H18 Mn N2 O4 -","- C42 H36 Mn2 N4 O8 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0532","0.0404","","","0.1121","0.1221","","","","","","1.063","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200267","9.8326","0.0013","10.929","0.0015","16.539","0.002","71.419","0.002","79.114","0.002","70.648","0.001","1582.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 Mn3 N4 O20 -","- C62 H62 Mn3 N4 O20 -","- C62 H62 Mn3 N4 O20 -","1","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0407","0.0327","","","0.0812","0.0871","","","","","","1.022","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200269","7.7958","0.001","11.5638","0.0015","12.0921","0.0016","75.457","0.002","74.781","0.002","80.84","0.002","1013.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C44 H44 N8 O4 -","2","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1019","0.0675","","","0.1428","0.168","","","","","","1.019","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200270","21.2261","0.0018","7.0551","0.0006","19.115","0.0016","90","","99.781","0.001","90","","2820.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N6 O3 -","- C31 H31 N6 O3 -","- C124 H124 N24 O12 -","4","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1084","0.0971","","","0.2567","0.2649","","","","","","1.07","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200271","8.0729","0.0007","12.3815","0.0011","14.1342","0.0013","67.973","0.002","88.486","0.002","83.183","0.002","1300.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C60 H56 N8 O4 -","2","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1115","0.0651","","","0.168","0.2009","","","","","","1.023","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200274","8.793","0.002","10.091","0.003","15.404","0.004","87.826","0.004","88.941","0.005","73.318","0.004","1308.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H47 N9 Ni2 O11 -","- C40 H26 N6 Ni2 O8 -","- C40 H26 N6 Ni2 O8 -","1","0.5","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.074","0.0546","","","0.1195","0.1271","","","","","","0.923","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200275","16.6361","0.0008","16.6361","0.0008","27.868","0.003","90","","90","","120","","6679.4","0.9","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C22 H29 N5 Ni O9 -","- C13 H7 N2 Ni O6 -","- C156 H84 N24 Ni12 O72 -","12","1","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.1658","0.1472","","","0.4233","0.4438","","","","","","1.757","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200276","9.6103","0.0003","9.6103","0.0003","6.9723","0.0005","90","","90","","120","","557.67","0.05","183","2","183","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C22 H29 N5 Ni O9 -","- C13.14 H1.02 N2 Ni O6 -","- C13.14 H1.02 N2 Ni O6 -","1","0.0416667","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.0453","0.0453","","","0.1237","0.1237","","","","","","1.167","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200277","16.257","0.0015","8.8673","0.0015","15.976","0.002","90","","90","","90","","2303","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H20 Fe Mn N9 O3 -","- C19 H14 Fe Mn N9 O3 -","- C76 H56 Fe4 Mn4 N36 O12 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0834","0.058","","","0.1346","0.1511","","","","","","1.057","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200278","13.199","0.008","7.258","0.004","22.234","0.015","90","","90","","90","","2130","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H14 Fe Mn N9 O -","- C18 H12 Fe Mn N9 O -","- C72 H48 Fe4 Mn4 N36 O4 -","4","0.5","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71075","MoKα","","0.036","0.0309","","","0.0636","0.065","","","","","","1.012","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200279","7.409","0.0015","13.701","0.003","15.038","0.003","90","","90","","90","","1526.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Fe Mn N7 O2 -","- C10 H12 Fe Mn N7 O2 -","- C40 H48 Fe4 Mn4 N28 O8 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0274","0.0239","","","0.0545","0.0557","","","","","","1.025","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200281","9.4559","0.0012","7.8465","0.001","10.6879","0.0017","90","","108.137","0.011","90","","753.6","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C32 H36 N8 O4 -","2","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.101","0.05","","","0.1048","0.1272","","","","","","1.032","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200282","9.173","0.0011","11.3098","0.0013","11.0517","0.001","90","","107.793","0.008","90","","1091.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd Cl2 N4 O10 -","- C16 H18 Cd Cl2 N4 O10 -","- C32 H36 Cd2 Cl4 N8 O20 -","2","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0511","0.0329","","","0.0713","0.0793","","","","","","1.031","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200283","9.6762","0.0011","9.9743","0.0011","12.4337","0.0014","76.553","0.009","78.663","0.009","79.367","0.009","1132.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cd Cl2 N8 O16 -","- C36 H36 Cd Cl2 N8 O16 -","- C36 H36 Cd Cl2 N8 O16 -","1","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0808","0.0617","","","0.1467","0.1605","","","","","","1.026","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200284","16.779","0.002","12.1263","0.0013","21.766","0.003","90","","90","","90","","4428.7","0.9","295","2","295","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H48 Cd Cl2 N8 O14 -","- C36 H36 Cd Cl2 N8 O14 -","- C144 H144 Cd4 Cl8 N32 O56 -","4","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0763","0.0523","","","0.1381","0.1554","","","","","","1.035","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200285","11.288","0.002","9.671","0.0019","10.281","0.002","90","","97.79","0.03","90","","1112","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O4 Zn -","- C10 H7 N3 O4 Zn -","- C40 H28 N12 O16 Zn4 -","4","1","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Two new metal‒triazole-benzenedicarboxylate frameworks affording an uncommon 3,4-connected net and unique 4,6-connected rod packing: hydrothermal synthesis, structure, thermostability and luminescence studies","CrystEngComm","2009","11","6","1097","","10.1039/b812479e","","x-ray","0.71073","MoKα","","0.0271","0.0237","","","0.0596","0.0613","","","","","","1.045","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200286","18.981","0.007","6.9876","0.0014","25.368","0.005","90","","100.63","0.03","90","","3306.9","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cd4 N6 O15 -","- C28 H16 Cd4 N6 O15 -","- C112 H64 Cd16 N24 O60 -","4","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Two new metal‒triazole-benzenedicarboxylate frameworks affording an uncommon 3,4-connected net and unique 4,6-connected rod packing: hydrothermal synthesis, structure, thermostability and luminescence studies","CrystEngComm","2009","11","6","1097","","10.1039/b812479e","","x-ray","0.71073","MoKα","","0.0925","0.0779","","","0.1348","0.144","","","","","","1.156","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200287","32.9054","0.0006","4.0078","0.0001","12.3689","0.0002","90","","90","","90","","1631.19","0.06","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:malonic acid 2/1","nicotinamide:malonic acid 2/1","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0394","0.0333","","","0.0839","0.0878","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200288","5.5314","0.0001","13.7844","0.0004","14.2056","0.0005","90","","92.59","0.001","90","","1082.03","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nictinamide:fumaric acid 1:1","nictinamide:fumaric acid 1:1","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0929","0.0503","","","0.1208","0.1415","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200289","5.4556","0.0005","7.3692","0.0006","15.1945","0.0013","99.413","0.005","94.592","0.005","104.775","0.003","577.95","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:glutaric acid 1:1","nicotinamide:glutaric acid 1:1","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.079","0.0531","","","0.1184","0.1335","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200290","5.011","0.0001","5.3379","0.0001","24.0348","0.0006","93.036","0.001","92.753","0.001","92.189","0.001","640.71","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:adipic acid 1:1","nicotinamide:adipic acid 1:1","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C24 H32 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0575","0.0426","","","0.1063","0.1163","","","","","","1.02","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200291","5.0302","0.0003","5.46","0.0003","16.9903","0.0009","82.38","0.004","89.395","0.004","90.006","0.002","462.49","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:adipic acid 2:1","nicotinamide:adipic acid 2:1","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0782","0.049","","","0.113","0.1285","","","","","","1.021","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200292","5.4425","0.0001","7.3981","0.0002","17.9304","0.0006","99.568","0.002","94.075","0.002","104.177","0.002","685.49","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:pimelic acid 1:1","nicotinamide:pimelic acid 1:1","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0386","0.0346","","","0.0921","0.0961","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200293","4.9537","0.0001","35.2893","0.0006","8.718","0.0002","90","","94.832","0.001","90","","1518.6","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nicotinamide:suberic acid 1:1","nicotinamide:suberic acid 1:1","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0331","0.029","","","0.0712","0.0734","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200294","5.0288","0.0003","5.4403","0.0003","18.7537","0.0011","93.062","0.003","94.81","0.003","90.74","0.002","510.45","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:suberic acid 2:1","nicotinamide:suberic acid 2:1","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.1719","0.08","","","0.137","0.1764","","","","","","1.045","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200295","8.6455","0.0001","36.5695","0.0006","5.2021","0.0001","90","","90","","90","","1644.7","0.05","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:azelaic acid 2:1","nicotinamide:azelaic acid 2:1","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0619","0.0408","","","0.0961","0.1065","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200296","5.0365","0.0002","5.447","0.0002","20.5004","0.0009","89.354","0.002","84.241","0.002","89.872","0.002","559.53","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:sebacic acid 2:1","nicotinamide:sebacic acid 2:1","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0703","0.0497","","","0.1143","0.1267","","","","","","1.043","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200297","23.405","0.006","13.707","0.006","30.577","0.009","90","","93.075","0.008","90","","9795","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cu4 (C12H8N2)6 (C24H8S8O24) 4.49H2O","","","- C96 H64.99 Cu4 N12 O28.49 S8 -","- C96 H56 Cu4 N12 O28.484 S8 -","- C384 H224 Cu16 N48 O113.936 S32 -","4","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1149","0.0603","","","0.1515","0.1803","","","","","","0.971","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200298","14.5485","0.0016","17.3505","0.0019","21.267","0.002","79.39","0.002","72.937","0.002","71.767","0.002","4849.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H82.96 N10 Na O38.88 S8 -","- C84 H32 N10 Na O38.865 S8 -","- C168 H64 N20 Na2 O77.73 S16 -","2","1","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1656","0.1092","","","0.3154","0.3472","","","","","","1.186","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200299","15.7743","0.0007","23.2212","0.001","27.8391","0.0012","102.911","0.001","101.887","0.001","97.072","0.001","9572.3","0.7","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H88.39 Mn N10 O40.7 S8 -","- C84 H52 Mn N10 O40.686 S8 -","- C336 H208 Mn4 N40 O162.744 S32 -","4","2","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1341","0.0893","","","0.2588","0.2884","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200300","12.5614","0.0011","27.357","0.002","17.1673","0.0011","90","","129.566","0.004","90","","4547.8","0.7","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu4 (C10H8N2)6 (C24H12S8O16) 8.62H2O","","","- C84 H73.24 Cu4 N12 O32.62 S8 -","- C84 H72 Cu4 N12 O32.62 S8 -","- C168 H144 Cu8 N24 O65.24 S16 -","2","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.0586","0.0426","","","0.0959","0.1041","","","","","","1.022","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200301","12.6793","0.0014","13.7736","0.0015","14.5737","0.0016","94.752","0.002","93.952","0.002","107.064","0.001","2413.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 N12 O35 S8 Zn4 -","- C96 H77.98 N12 O34.99 S8 Zn4 -","- C96 H77.98 N12 O34.99 S8 Zn4 -","1","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.0864","0.0565","","","0.1128","0.1234","","","","","","0.98","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200302","37.129","0.007","14.135","0.004","26.074","0.003","90","","90","","90","","13684","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C58 H72 N14 Ni2 O15 -","- C40 H28 N8 Ni2 O9 -","- C320 H224 N64 Ni16 O72 -","8","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0686","0.0607","","","0.1693","0.1759","","","","","","0.985","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200303","14.248","0.004","26.912","0.009","18.125","0.003","90","","100.584","0.006","90","","6832","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H75 N13 Ni2 O14 -","- C40 H28 N8 Ni2 O9 -","- C160 H112 N32 Ni8 O36 -","4","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0793","0.0424","","","0.0638","0.0669","","","","","","0.987","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200304","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H27 I2 N6 -","- C75 H27 I1.995 N6 -","- C150 H54 I3.99 N12 -","2","1","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0647","0.0524","","","0.1602","0.1696","","","","","","1.092","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200305","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C75 H27 I2 N6 -","- C76.2 H27 I2 N6 -","- C152.4 H54 I4 N12 -","2","0.166667","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0838","0.0772","","","0.2324","0.2401","","","","","","1.081","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200306","8.5289","0.0015","6.0505","0.001","14.924","0.002","90","","96.613","0.002","90","","765","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H13 Cd N O6 S2 -","- C12 H13 Cd N O6 S2 -","- C24 H26 Cd2 N2 O12 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0216","0.0204","","","0.0494","0.0503","","","","","","1.049","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200307","10.7419","0.0008","11.0361","0.0008","11.7804","0.0009","90","","115.396","0.001","90","","1261.6","0.16","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cd N3 O7 S2 -","- C22 H23 Cd N3 O7 S2 -","- C44 H46 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0252","0.023","","","0.0513","0.0522","","","","","","1.039","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200308","10.543","0.007","4.99","0.003","18.508","0.013","90","","95.337","0.01","90","","969.5","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 Cd N3 O7 S2 -","- C15 H19 Cd N3 O7 S2 -","- C30 H38 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.1027","0.0857","","","0.2143","0.2359","","","","","","1.04","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200309","5.0605","0.0008","10.4608","0.0017","36.916","0.006","90","","90","","90","","1954.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O7 S2 Zn -","- C15 H19 N3 O7 S2 Zn -","- C60 H76 N12 O28 S8 Zn4 -","4","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0505","0.0405","","","0.0835","0.0881","","","","","","1.041","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200310","26.545","0.004","6.8628","0.001","17.018","0.003","90","","120.68","0.002","90","","2666.3","0.7","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H50 N6 O16 S4 Zn2 -","- C44 H50 N6 O16 S4 Zn2 -","- C88 H100 N12 O32 S8 Zn4 -","2","0.5","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0785","0.0546","","","0.1316","0.1495","","","","","","1.008","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200311","6.2403","0.0003","10.7398","0.0004","14.7067","0.0007","98.713","0.003","91.987","0.002","101.32","0.003","953.2","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1-bis(4-hydroxyphenyl)cyclohexane 1-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.0843","0.047","","","0.1122","0.132","","","","","","1.029","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200312","6.2995","0.001","28.658","0.002","10.9868","0.001","90","","102.579","0.003","90","","1935.8","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-bis(4-hydroxyphenyl)cyclohexane 2-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C88 H120 O12 -","4","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.108","0.0564","","","0.1433","0.172","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200313","6.2259","0.0002","10.8829","0.0006","15.2046","0.0008","94.029","0.002","100.875","0.003","101.498","0.003","985.15","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1-bis(4-hydroxyphenyl)cyclohexane iso-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.0839","0.0443","","","0.1022","0.1202","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200314","15.203","0.002","15.203","0.002","5.019","0.001","90","","90","","90","","1160","0.3","291","2","291","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C32 H48 Ag8 N24 -","8","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0266","0.0253","","","0.0553","0.0559","","","","","","1.048","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200315","12.536","0.003","28.624","0.006","8.8755","0.0018","90","","95.67","0.03","90","","3169.2","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Ag N3 -","- C6 H10 Ag N3 -","- C96 H160 Ag16 N48 -","16","2","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0334","0.0237","","","0.0525","0.0568","","","","","","1.061","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200316","10.158","0.002","18.547","0.004","17.533","0.004","90","","96.64","0.03","90","","3281.1","1.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Ag3 N9 -","- C24 H40.626 Ag3 N9 -","- C96 H162.504 Ag12 N36 -","4","1","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0489","0.0309","","","0.0764","0.0862","","","","","","1.011","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200317","11.932","0.003","11.932","","12.776","0.003","90","","90","","120","","1575.3","0.5","298","2","298","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C48 H84 Ag6 N18 -","6","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0333","0.0316","","","0.0761","0.0774","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200318","13.6784","0.0019","13.6784","0.0019","39.742","0.008","90","","90","","90","","7436","2","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 Ag N3 -","- C14 H10 Ag N3 -","- C336 H240 Ag24 N72 -","24","1.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0327","0.0304","","","0.0683","0.0693","","","","","","1.156","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200319","15.8572","0.0006","20.4459","0.0008","23.548","0.0009","106.003","0.002","103.677","0.002","95.378","0.002","7026.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Co10 H176 K15 Li5 O272 P8 W48 -","- Co8.4 K14.6 Li5 O264.2 P8 W48 -","- Co8.4 K14.6 Li5 O264.2 P8 W48 -","1","0.5","","Mitchell, Scott G.; Gabb, David; Ritchie, Chris; Hazel, Nick; Long, De-Liang; Cronin, Leroy","Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network","CrystEngComm","2009","11","1","36","","10.1039/b813066c","","","0.71073","MoKα","","0.1324","0.0573","","","0.1216","0.1536","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200320","25.3366","0.001","24.2239","0.0005","25.7804","0.0006","90","","111.247","0.003","90","","14747.2","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co10 H208 K8 Li12 O288 P8 W48 -","- Co9.9 K7.6 Li12 O230.6 P8 W48 -","- Co19.8 K15.2 Li24 O461.2 P16 W96 -","2","0.5","","Mitchell, Scott G.; Gabb, David; Ritchie, Chris; Hazel, Nick; Long, De-Liang; Cronin, Leroy","Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network","CrystEngComm","2009","11","1","36","","10.1039/b813066c","","","0.71073","MoKα","","0.1268","0.0733","","","0.188","0.2094","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200321","11.403","0.002","4.4101","0.001","30.27","0.006","90","","100.807","0.005","90","","1495.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.0849","0.0623","","","0.1533","0.1776","","","","","","1.134","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200322","30.4956","0.0018","6.0254","0.0003","8.1984","0.0005","90","","96.76","0.006","90","","1495.97","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","0.5","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.1277","0.076","","","0.1771","0.1971","","","","","","1.122","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200324","7.3641","0.0018","18.938","0.005","8.707","0.002","90","","97.859","0.004","90","","1202.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O4 -","- C22 H30 N8 O4 -","- C44 H60 N16 O8 -","2","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0466","0.0436","","","0.1242","0.1273","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200325","21.5594","0.0012","21.5594","0.0012","14.9195","0.0016","90","","90","","120","","6005.6","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H78 Cd2 N28 O18 -","- C66 H66 Cd2 N28.02 O18.06 -","- C198 H198 Cd6 N84.06 O54.18 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0797","0.0691","","","0.2181","0.2287","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200326","21.297","0.006","21.297","0.006","15.38","0.004","90","","90","","120","","6041","3","200","","200","","","","","","","","","6","R -3 :H","-R 3","148","(Cd2(L)3)(ClO4)4-2(H2O)","[Cd2(L)3](ClO4)4-2(H2O)","","- C66 H70 Cd2 Cl4 N24 O18 -","- C66 H66 Cd2 Cl4.02 N24 O18.12 -","- C198 H198 Cd6 Cl12.06 N72 O54.36 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0781","0.0589","","","0.1175","0.1249","","","","","","1.073","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200327","21.218","0.005","21.218","0.005","15.259","0.004","90","","90","","120","","5949","3","200","","200","","","","","","","","","7","R -3 :H","-R 3","148","(Cd2(L)3)(BF4)4-2(H2O)","[Cd2(L)3](BF4)4-2(H2O)","","- C66 H70 B4 Cd2 F16 N24 O2 -","- C66 H66 B4.02 Cd2 F16.08 N24 O2.04 -","- C198 H198 B12.06 Cd6 F48.24 N72 O6.12 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0554","0.041","","","0.1002","0.1069","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200328","11.0403","0.0016","8.906","0.0013","13.64","0.002","90","","109.155","0.003","90","","1266.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cd Cl2 N8 O2 -","- C22 H26 Cd Cl2 N8 O2 -","- C44 H52 Cd2 Cl4 N16 O4 -","2","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.056","0.0462","","","0.1086","0.1141","","","","","","1.071","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200329","12.839","0.003","14.41","0.004","15.128","0.004","80.422","0.011","69.344","0.01","65.301","0.011","2378.7","1.1","200","","200","","","","","","","","","6","P -1","-P 1","2","(Cd2(H2O)(SO4)2(L)2)-2(H2O)","[Cd2(H2O)(SO4)2(L)2]-2(H2O)","","- C44 H50 Cd2 N16 O11 S2 -","- C44 H50 Cd2 N16 O11 S2 -","- C88 H100 Cd4 N32 O22 S4 -","2","1","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0338","0.0276","","","0.0613","0.0637","","","","","","1.043","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200330","10.116","0.002","10.116","0.002","31.186","0.005","90","","90","","90","","3191.4","1","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(Cd2(OH2)3(OSO3)2(L))-4(H2O)","[Cd2(OH2)3(OSO3)2(L)]-4(H2O)","","- C22 H36 Cd2 N8 O15 S2 -","- C22 H36 Cd2 N8 O15 S2 -","- C88 H144 Cd8 N32 O60 S8 -","4","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.022","0.0209","","","0.0437","0.044","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200331","12.0877","0.0015","16.227","0.002","9.2338","0.0011","90","","109.345","0.002","90","","1708.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(ii) oxybis(benzoate)","","","- C16 H14 Cu O6 S -","- C16 H14 Cu O6 S -","- C64 H56 Cu4 O24 S4 -","4","1","","Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers","CrystEngComm","2009","11","1","183","","10.1039/b813226g","","","0.71073","MoKα","","0.0782","0.0508","","","0.1096","0.1237","","","","","","1.017","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200332","30.8976","0.0012","16.0853","0.0005","20.92","0.0006","90","","124.48","0.002","90","","8570.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper(ii) oxybis(benzoate)","","","- C33 H29 Cu2 N O12 -","- C33 H29 Cu2 N O12 -","- C264 H232 Cu16 N8 O96 -","8","1","","Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers","CrystEngComm","2009","11","1","183","","10.1039/b813226g","","","0.71073","MoKα","","0.1143","0.0622","","","0.1724","0.1806","","","","","","1.029","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200333","12.593","0.003","13.734","0.003","17.69","0.003","90","","97.43","0.011","90","","3033.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Fe2 N2 S12 -","- C48 H80 Fe2 N2 S12 -","- C96 H160 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.3038","0.1322","","","0.3258","0.3878","","","","","","1.041","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200334","7.3129","0.0004","11.4865","0.0007","17.0461","0.0011","100.625","0.003","98.672","0.003","106.991","0.003","1313.6","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H38 Br2 Fe2 N10 S8 -","- C56 H38 Br2 Fe2 N10 S8 -","- C56 H38 Br2 Fe2 N10 S8 -","1","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.0933","0.0424","","","0.0723","0.0812","","","","","","0.903","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200335","12.5925","0.0006","11.089","0.0005","16.2457","0.0008","90","","106.464","0.003","90","","2175.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Fe2 N2 S12 -","- C32 H48 Fe2 N2 S12 -","- C64 H96 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71069","MoKα","","0.1424","0.0627","","","0.1547","0.1794","","","","","","0.97","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200336","9.3573","0.0005","25.3284","0.0015","10.0811","0.0006","90","","100.854","0.003","90","","2346.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Br2 Fe2 N2 S12 -","- C40 H30 Br2 Fe2 N2 S12 -","- C80 H60 Br4 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.1621","0.0583","","","0.1346","0.1604","","","","","","0.867","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200337","17.693","0.007","4.8374","0.0019","9.883","0.004","90","","99.391","0.01","90","","834.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 N2 O2 -","- C16 H14 I2 N2 O2 -","- C32 H28 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0314","0.0278","","","0.0979","0.1038","","","","","","0.882","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200338","18.979","0.007","4.8064","0.0018","10.089","0.004","90","","93.319","0.01","90","","918.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 O2 -","- C18 H18 I2 N2 O2 -","- C36 H36 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0352","0.0309","","","0.0837","0.0983","","","","","","1.237","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200339","22.8808","0.0017","4.798","0.0004","10.2227","0.0008","90","","95.371","0.002","90","","1117.34","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 I2 N2 O2 -","- C22 H26 I2 N2 O2 -","- C44 H52 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0392","0.0276","","","0.0781","0.0938","","","","","","1.145","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200340","17.08","0.007","4.813","0.002","9.831","0.004","90","","100.057","0.012","90","","795.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br2 N2 O2 -","- C16 H14 Br2 N2 O2 -","- C32 H28 Br4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0649","0.0392","","","0.1186","0.1427","","","","","","1.008","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200341","4.9461","0.0005","8.6603","0.0009","10.7293","0.0011","90.812","0.003","100.267","0.003","96.325","0.003","449.21","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","1","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0528","0.0396","","","0.1258","0.1341","","","","","","1.074","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200342","22.113","0.003","5.1003","0.0007","17.945","0.003","90","","106.259","0.004","90","","1942.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Br2 N2 O2 -","- C20 H22 Br2 N2 O2 -","- C80 H88 Br8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0483","0.0301","","","0.0781","0.0838","","","","","","1.023","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200343","8.4189","0.0006","9.4168","0.0006","9.7128","0.0007","90","","92.498","0.002","90","","769.29","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0417","0.0389","","","0.1606","0.1643","","","","","","1.485","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200344","8.2555","0.0007","10.9653","0.0009","9.4726","0.0008","90","","96.294","0.002","90","","852.33","0.12","293","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C36 H36 Cl4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0317","0.0302","","","0.0833","0.0845","","","","","","1.065","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200345","21.87","0.008","5.1043","0.0019","17.683","0.007","90","","105.685","0.01","90","","1900.5","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl2 N2 O2 -","- C20 H22 Cl2 N2 O2 -","- C80 H88 Cl8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0442","0.0364","","","0.1022","0.1063","","","","","","1.038","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200346","7.7199","0.0004","5.7814","0.0003","32.4814","0.0017","90","","94.019","0.002","90","","1446.14","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F2 N2 O2 -","- C16 H14 F2 N2 O2 -","- C64 H56 F8 N8 O8 -","4","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0751","0.0548","","","0.167","0.1817","","","","","","1.044","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200347","11.3328","0.0008","9.5211","0.0006","15.3985","0.0011","90","","90","","90","","1661.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F2 N2 O2 -","- C18 H18 F2 N2 O2 -","- C72 H72 F8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1377","0.1483","","","","","","1.034","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200348","18.084","0.003","5.0326","0.0007","39.311","0.005","90","","96.792","0.004","90","","3552.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F2 N2 O2 -","- C20 H22 F2 N2 O2 -","- C160 H176 F16 N16 O16 -","8","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0901","0.0501","","","0.1225","0.1427","","","","","","0.978","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200349","18.1488","0.0012","5.0327","0.0003","43.84","0.003","90","","99.817","0.002","90","","3945.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 F2 N2 O2 -","- C22 H26 F2 N2 O2 -","- C176 H208 F16 N16 O16 -","8","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0843","0.052","","","0.15","0.17","","","","","","1.002","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200350","17.459","0.005","4.8268","0.0013","9.851","0.003","90","","99.666","0.009","90","","818.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br I N2 O2 -","- C16 H14 Br I N2 O2 -","- C32 H28 Br2 I2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0827","0.0428","","","0.1118","0.1494","","","","","","1.116","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200351","18.9243","0.0009","4.8077","0.0002","10.1235","0.0005","90","","93.535","0.001","90","","919.31","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br I N2 O2 -","- C18 H18 Br I N2 O2 -","- C36 H36 Br2 I2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0344","0.0307","","","0.0894","0.0922","","","","","","1.09","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200352","9.751","0.0006","11.2001","0.0007","9.6534","0.0006","90","","119.494","0.002","90","","917.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Cl N2 O2 -","- C18 H18 Br Cl N2 O2 -","- C36 H36 Br2 Cl2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0773","0.0475","","","0.1263","0.1341","","","","","","0.892","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200353","22.022","0.004","5.1048","0.001","17.836","0.003","90","","106.024","0.005","90","","1927.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Br Cl N2 O2 -","- C20 H22 Br Cl N2 O2 -","- C80 H88 Br4 Cl4 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0574","0.0336","","","0.0818","0.089","","","","","","0.974","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200354","9.751","0.002","9.591","0.0019","16.301","0.003","90","","97.27","0.03","90","","1512.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Jenkins, Samir; Incarvito, Christopher D.; Parr, Jonathan; Wasserman, Harry H.","Structural studies of C-ring substituted unnatural analogues of prodigiosin","CrystEngComm","2009","11","2","242","245","10.1039/b813351d","","","0.71073","MoKα","","0.236","0.0846","","","0.1663","0.2297","","","","","","0.959","","","","has coordinates","218450","2020-10-21","18:00:00",""
"7200355","17.048","0.003","17.811","0.004","9.3594","0.0019","90","","93.61","0.03","90","","2836.3","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C128 H136 N24 O8 -","8","2","","Jenkins, Samir; Incarvito, Christopher D.; Parr, Jonathan; Wasserman, Harry H.","Structural studies of C-ring substituted unnatural analogues of prodigiosin","CrystEngComm","2009","11","2","242","245","10.1039/b813351d","","","0.71073","MoKα","","0.2305","0.0832","","","0.1587","0.2041","","","","","","1.007","","","","has coordinates","218450","2020-10-21","18:00:00",""
"7200356","7.377","0.008","8.038","0.003","33.627","0.006","90","","95.6","0.04","90","","1984","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H20 Cl N4 O S -","- C21 H20 Cl N4 O S -","- C84 H80 Cl4 N16 O4 S4 -","4","1","","Portell, Anna; Barbas, Rafael; Font-Bardia, Mercè; Dalmases, Pere; Prohens, Rafel; Puigjaner, Cristina","Ziprasidone malate, a new trimorphic salt with improved aqueous solubility","CrystEngComm","2009","11","5","791","","10.1039/b813401d","","","0.71073","MoKα","","0.1451","0.0508","","","0.1441","0.2362","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200357","19.7","0.02","4.891","0.006","9.64","0.012","90","","95.33","0.02","90","","924.8","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O4 Zn -","- C10 H8 O4 Zn -","- C40 H32 O16 Zn4 -","4","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.7107","MoKα","","0.0587","0.0463","","","0.1372","0.1696","","","","","","1.08","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200358","9.836","0.007","6.149","0.004","8.882","0.006","90","","100.85","0.015","90","","527.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Mn O6 -","- C10 H8 Mn O6 -","- C20 H16 Mn2 O12 -","2","0.5","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.069","0.0398","","","0.1348","0.1789","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200359","9.7","0.004","10.47","0.005","10.5","0.005","113.98","0.004","96.83","0.004","105.56","0.002","906.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 Zn -","- C20 H16 N2 O5 Zn -","- C40 H32 N4 O10 Zn2 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.0968","0.0703","","","0.1814","0.2047","","","","","","0.979","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200360","9.814","0.003","10.545","0.003","10.595","0.003","112.508","0.006","106.884","0.011","96.478","0.004","937.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Co N2 O5 -","- C20 H16 Co N2 O5 -","- C40 H32 Co2 N4 O10 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.0765","0.0557","","","0.1548","0.1918","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200361","9.814","0.003","10.545","0.003","10.595","0.003","112.508","0.006","106.884","0.011","96.478","0.004","937.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O5 -","- C20 H16 Cd N2 O5 -","- C40 H32 Cd2 N4 O10 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.1003","0.0603","","","0.1474","0.1933","","","","","","1.072","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200362","16.675","0.003","28.71","0.006","23.663","0.005","90","","100.23","0.03","90","","11148","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H120 Mn6 N21 O24 -","- C104 H114 Mn6 N21 O24 -","- C416 H456 Mn24 N84 O96 -","4","0.5","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.8","synchrotron","","0.0675","0.0646","","","0.1823","0.1849","","","","","","1.048","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200363","26.988","0.003","26.988","0.003","29.158","0.005","90","","90","","90","","21237","5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H56 Mn8 N24 O28 -","- C480 H224 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.71073","MoKα","","0.1522","0.0837","","","0.2243","0.2523","","","","","","0.883","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200364","26.804","0.004","26.804","0.004","29.874","0.006","90","","90","","90","","21463","6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H32 Mn8 N24 O28 -","- C480 H128 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.9","synchrotron","","0.1304","0.1264","","","0.421","0.4309","","","","","","2.086","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200365","22.334","0.003","15.584","0.002","17.996","0.002","90","","99.605","0.002","90","","6175.8","1.3","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C66.2 H84 O5 -","- C66.2 H84 O5 -","- C264.8 H336 O20 -","4","0.5","","Tian, Jian; Dalgarno, Scott J.; Thallapally, Praveen K.; Atwood, Jerry L.","Increased control over the desolvation of p-tert-butylcalix[5]arene","CrystEngComm","2009","11","1","33","","10.1039/b813628a","","","0.71073","MoKα","","0.1136","0.0694","","","0.1736","0.196","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200366","14.4535","0.0015","7.3436","0.0008","17.428","0.002","90","","100.205","0.002","90","","1820.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl2 Cu2 N6 S6 -","- C30 H30 Cl2 Cu2 N6 S6 -","- C60 H60 Cl4 Cu4 N12 S12 -","2","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0502","0.0288","","","0.0536","0.0578","","","","","","0.912","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200367","7.5448","0.0013","9.807","0.002","14.037","0.002","86.553","0.003","86.287","0.003","78.243","0.003","1013.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 Cu2 F6 N6 O2 S6 Si -","- C32 H38 Cu2 F6 N6 O2 S6 Si -","- C32 H38 Cu2 F6 N6 O2 S6 Si -","1","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0528","0.0342","","","0.0755","0.0808","","","","","","0.947","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200368","10.2694","0.0007","10.5731","0.0008","16.786","0.0012","72.924","0.001","80.353","0.001","81.628","0.001","1708.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H56 Cu4 N14 O14 S10 -","- C50 H50 Cu4 N14 O12 S10 -","- C50 H50 Cu4 N14 O12 S10 -","1","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0307","0.0283","","","0.0797","0.0815","","","","","","1.067","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200369","23.242","0.005","15.31","0.003","28.12","0.006","90","","97.551","0.005","90","","9919","4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H95 B2 Cu6 F20 N13 O7.5 S13 Si2 -","- C70 H77 B2 Cu6 F20 N13 O5 S13 Si2 -","- C280 H308 B8 Cu24 F80 N52 O20 S52 Si8 -","4","1","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.174","0.0677","","","0.151","0.173","","","","","","0.78","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200370","11.695","0.0007","14.2219","0.0008","22.1864","0.0014","90","","102.442","0.001","90","","3603.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Hg3 N12 S6 -","- C27 H21 Hg3 N12 S6 -","- C108 H84 Hg12 N48 S24 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Novel rare case of 2D + 1D = 2D polycatenation Hg(ii) coordination polymer","CrystEngComm","2009","11","1","50","","10.1039/b813701n","","","0.71073","MoKα","","0.0578","0.043","","","0.0977","0.1064","","","","","","1.009","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200371","8.0705","0.0003","22.0328","0.0006","32.3698","0.0011","90","","90.269","0.003","90","","5755.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H105 Ag3 Cl3 N12 O20 S14 -","- C93 H81 Ag3 Cl3 N12 O20 S14 -","- C186 H162 Ag6 Cl6 N24 O40 S28 -","2","0.5","","Yang, Qing-Yuan; Zheng, Sheng-Run; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","An unusual 3D coordination polymer assembled through parallel interpenetrating and polycatenating of (6,3) nets","CrystEngComm","2009","11","4","680","","10.1039/b813767f","","","0.71073","MoKα","","0.1779","0.1188","","","0.2231","0.2443","","","","","","1.11","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200372","5.5826","0.001","9.587","0.003","10.054","0.004","90","","96.19","0.02","90","","535","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Chlorophenol","2-Chlorophenol","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C24 H20 Cl4 O4 -","4","1","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.1576","0.067","","","0.1195","0.14","","","","","","1.017","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200373","16.1628","0.0002","16.1628","0.0002","5.9006","0.0001","90","","90","","120","","1334.93","0.03","100","2","100","2","","","","","","","","4","P 32","P 32","145","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","","- C6.45 H6.34 Cl0.55 O -","- C6.44667 H6.34 Cl0.553333 O -","- C58.02 H57.06 Cl4.98 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.048","0.0405","","","0.099","0.1024","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200374","16.4153","0.0002","16.4153","0.0002","5.7931","0.0002","90","","90","","120","","1351.88","0.05","100","2","100","2","","","","","","","","3","P 32","P 32","145","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C63 H72 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.0445","0.0431","","","0.1038","0.1048","","","","","","1.069","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200375","5.9637","0.0004","4.7006","0.0003","19.769","0.003","90","","92.792","0.01","90","","553.53","0.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.1286","0.087","","","0.1957","0.2256","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200378","36.322","0.003","36.322","0.003","36.322","0.003","90","","90","","90","","47919","7","173","2","173","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C72 H102 Ag6 F36 N6 P6 S12 -","- C72 H102 Ag6 F36 N6 P6 S12 -","- C1152 H1632 Ag96 F576 N96 P96 S192 -","16","0.166667","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0561","0.0433","","","0.1194","0.1266","","","","","","1.112","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200379","11.4605","0.0005","11.6121","0.0006","13.1785","0.0006","90.294","0.001","99.549","0.001","94.075","0.001","1724.87","0.14","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","1","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0579","0.0535","","","0.134","0.1397","","","","","","1.049","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200380","18.2813","0.0008","8.1124","0.0004","26.4524","0.0012","90","","90","","90","","3923","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C96 H136 Br32 Hg16 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0802","0.0463","","","0.1018","0.1191","","","","","","1.016","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200381","18.9518","0.0019","8.5212","0.0009","27.755","0.003","90","","90","","90","","4482.2","0.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Hg2 I4 N S2 -","- C12 H17 Hg2 I4 N S2 -","- C96 H136 Hg16 I32 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0693","0.0427","","","0.1084","0.1331","","","","","","1.118","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200382","13.5645","0.0011","11.9094","0.001","12.4053","0.001","90","","104.114","0.002","90","","1943.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C48 H68 Br16 Hg8 N4 S8 -","4","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.1129","0.0778","","","0.1806","0.212","","","","","","1.002","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200383","8.3016","0.0008","8.8946","0.0009","11.7703","0.0013","83.191","0.003","81.216","0.003","67.746","0.003","793.19","0.14","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Cu(2,2'-bipy)(cdm)Cl]2.2MeOH","[Cu(2,2'-bipy)(cdm)Cl]2.2MeOH","","- C30 H28 Cl2 Cu2 N10 O4 -","- C30 H28 Cl2 Cu2 N10 O4 -","- C30 H28 Cl2 Cu2 N10 O4 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.0593","0.0438","","","0.0895","0.1007","","","","","","1.076","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200384","7.4044","0.0007","9.934","0.0009","12.0617","0.0013","108.736","0.005","91.509","0.005","99.329","0.005","826.15","0.14","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Cu(cdm)Cl(1,10-phen)]2.2MeOH","[(carbamoyldicyanomethanide)(chloro)(1,10-phenanthroline)copper(II)] methanol solvate","","- C34 H28 Cl2 Cu2 N10 O4 -","- C34 H28 Cl2 Cu2 N10 O4 -","- C34 H28 Cl2 Cu2 N10 O4 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.04","0.0314","","","0.0717","0.0759","","","","","","1.05","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200385","8.1154","0.001","8.9932","0.0009","11.154","0.0011","113.154","0.006","101.507","0.006","101.847","0.006","696.12","0.14","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Cu(cdm)(acac)(H2O)]2.4H2O","[Cu(cdm)(acac)(H2O)]2.4H2O","","- C18 H30 Cu2 N6 O12 -","- C18 H22 Cu2 N6 O12 -","- C18 H22 Cu2 N6 O12 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.052","0.043","","","0.1039","0.1105","","","","","","1.07","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200386","17.8128","0.0012","28.874","0.003","7.1606","0.0006","90","","90","","90","","3682.9","0.6","123","1","123","1","","","","","","","","5","F d d 2","F 2 -2d","43","[Cu(cdm)2(NH2(CH2)3NH2)2]","[Cu(cdm)2(NH2(CH2)3NH2)2]","","- C14 H24 Cu N10 O2 -","- C14 H24 Cu N10 O2 -","- C112 H192 Cu8 N80 O16 -","8","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.036","0.0305","","","0.0628","0.065","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200387","10.5476","0.0007","11.586","0.0007","12.2153","0.0007","88.998","0.003","67.186","0.002","84.951","0.003","1370.42","0.15","123","1","123","1","","","","","","","","6","P -1","-P 1","2","MnPhenCl","MnPhenCl","","- C29 H23 Cl Mn N7 O2.5 -","- C29 H22 Cl Mn N7 O2.5 -","- C58 H44 Cl2 Mn2 N14 O5 -","2","1","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.0541","0.0422","","","0.0995","0.1089","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200388","15.197","0.003","13.262","0.003","15.716","0.003","90","","107.2","0.03","90","","3025.8","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C148 H136 N8 O24 -","4","1","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.0817","0.0518","","","0.1073","0.1237","","","","","","1.027","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200389","8.2989","0.0017","11.453","0.002","16.924","0.003","72.76","0.03","85.65","0.03","77.85","0.03","1501.7","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C74 H68 N4 O12 -","2","1","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.1352","0.0801","","","0.2129","0.2502","","","","","","1.035","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200390","11.196","0.002","12.653","0.003","22.963","0.005","104.32","0.03","103.24","0.03","91.58","0.03","3055.9","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C148 H136 N8 O24 -","4","2","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.085","0.057","","","0.1355","0.1537","","","","","","1.162","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200391","9.1158","0.0003","9.9478","0.0004","13.7725","0.0005","90","","90","","90","","1248.92","0.08","150","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis-(2-aminobenzoyl)hydrazine","1,2-bis-(2-aminobenzoyl)hydrazine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1064","0.0564","","","0.1266","0.155","","","","","","0.936","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200392","8.054","0.002","10.367","0.003","9.995","0.003","90","","108.174","0.011","90","","792.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.058","0.0505","","","0.1373","0.1437","","","","","","1.035","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200393","15.979","0.003","14.653","0.003","18.466","0.004","90","","90","","90","","4323.6","1.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C224 H144 N32 O16 -","8","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1221","0.0423","","","0.1201","0.1478","","","","","","0.852","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200394","10.362","0.002","10.943","0.002","25.892","0.005","90","","90","","90","","2935.9","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-1,2-bis-(2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","(S,S)-1,2-bis- (2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C136 H112 N8 O32 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.0793","0.0387","","","0.1099","0.1422","","","","","","1.111","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200395","15.5178","0.0011","19.7909","0.0012","22.0219","0.0016","90","","90","","90","","6763.2","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O8 S2 -","- C25 H39 Cl3 N4 O8 S2 -","- C200 H312 Cl24 N32 O64 S16 -","8","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.2929","0.0789","","","0.1459","0.1814","","","","","","0.711","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200396","24.866","0.005","5.1362","0.0008","24.893","0.005","90","","111.12","0.02","90","","2965.7","1","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C24 H38 N4 O8 S2 -","- C24 H38 N4 O8 S2 -","- C96 H152 N16 O32 S8 -","4","1","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.1186","0.0701","","","0.1128","0.1187","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200402","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Katagiri, Toshimasa; Takahashi, Satoshi; Tanaka, Yasuhiro; Kawabata, Kouji; Hattori, Yoshiyuki; Kaneko, Katsumi; Uneyama, Kenji","Gas storage in soft 1D nano-tunnels by the induced fit of a serration structure","CrystEngComm","2009","11","2","347","","10.1039/b814508c","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200406","13.101","0.007","10.531","0.006","19.954","0.01","90","","103.86","0.007","90","","2673","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Cl3 N2 O -","- C27 H22 Br Cl3 N2 O -","- C108 H88 Br4 Cl12 N8 O4 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1285","0.0626","","","0.165","0.2014","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200407","13.107","0.005","10.608","0.004","19.586","0.008","90","","102.603","0.005","90","","2657.6","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl3 I N2 O -","- C27 H22 Cl3 I N2 O -","- C108 H88 Cl12 I4 N8 O4 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0618","0.046","","","0.1019","0.111","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200408","10.0756","0.0013","13.5573","0.0017","16.036","0.002","99.681","0.003","95.973","0.002","99.563","0.002","2109.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Br N2 O4 -","- C50 H43 Br N2 O4 -","- C100 H86 Br2 N4 O8 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1139","0.0622","","","0.1375","0.161","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200409","11.3955","0.0011","11.1852","0.0011","27.326","0.003","90","","93.064","0.002","90","","3478","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br Cl3 N2 O2 -","- C38 H36 Br Cl3 N2 O2 -","- C152 H144 Br4 Cl12 N8 O8 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1219","0.07","","","0.1899","0.2144","","","","","","0.923","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200410","11.8909","0.0011","10.2401","0.0009","28.515","0.003","90","","92.568","0.002","90","","3468.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 Br N2 O4 -","- C41 H43 Br N2 O4 -","- C164 H172 Br4 N8 O16 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0951","0.056","","","0.1295","0.1418","","","","","","0.896","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200411","8.292","0.002","9.416","0.003","15.73","0.004","77.792","0.003","85.614","0.003","65.372","0.003","1091.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Br N2 O3 -","- C26 H19 Br N2 O3 -","- C52 H38 Br2 N4 O6 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0448","0.0349","","","0.0806","0.0856","","","","","","1.046","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200412","8.4506","0.0009","9.3577","0.001","15.3062","0.0016","92.232","0.001","95.942","0.001","111.294","0.001","1117.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 I N2 O3 -","- C26 H19 I N2 O3 -","- C52 H38 I2 N4 O6 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0346","0.03","","","0.0655","0.0687","","","","","","1.087","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200413","38.3092","0.0006","38.3092","0.0006","47.3977","0.0013","90","","90","","120","","60241","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H28 Mg2 O13 -","- C40 H28 Mg2 O13 -","- C1440 H1008 Mg72 O468 -","36","2","","Volkringer, Christophe; Loiseau, Thierry; Marrot, Jérôme; Férey, Gérard","A MOF-type magnesium benzene-1,3,5-tribenzoate with two-fold interpenetrated ReO3 nets","CrystEngComm","2009","11","1","58","","10.1039/b814943g","","","0.71073","MoKα","","0.1697","0.0647","","","0.1555","0.1849","","","","","","0.929","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200414","13.716","0.002","13.8647","0.0019","16.472","0.002","78.644","0.004","88.534","0.005","78.516","0.004","3009.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H46 I10 N7 Nd O8 Pb4 -","- C24 H46 I10 N7 Nd O8 Pb4 -","- C48 H92 I20 N14 Nd2 O16 Pb8 -","2","1","","Liu, Jibo; Li, Haohong; Chen, Zhirong; Guo, Liangqia; Huang, Changcang; Li, Junqian","A 2-D framework incorporating lanthanide metal complex linkers into polymeric iodoplumbate","CrystEngComm","2009","11","4","545","548","10.1039/b814992e","","","0.71069","MoKα","","0.0705","0.0625","","","0.1295","0.1346","","","","","","1.188","","","","has coordinates","218460","2020-10-21","18:00:00",""
"7200415","17.342","0.006","17.226","0.018","17.589","0.017","90","","103.71","0.06","90","","5105","8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","ssh0471","","","- C96 H112 Br4 Cu2 N24 O8 -","- C96 H112 Br4 Cu2 N24 O8 -","- C192 H224 Br8 Cu4 N48 O16 -","2","1","","Piepenbrock, Marc-Oliver M.; Anderson, Kirsty M.; Sansam, Benedict C. R.; Clarke, Nigel; Steed, Jonathan W.","Structural similarity of hydrogen-bonded and metal-coordinated abiotic base pairs allows oligonucleotide-like mutual stacking,","CrystEngComm","2009","11","1","118","","10.1039/b815252g","","","0.6941","synchrotron","","0.1358","0.1071","","","0.27","0.2887","","","","","","1.052","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200416","5.8645","0.0004","7.5587","0.0005","8.1625","0.0006","77.744","0.002","76.991","0.001","83.633","0.001","343.75","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H4 Cu N7 -","- C3 H4 Cu N7 -","- C6 H8 Cu2 N14 -","2","1","","Massoud, Alshima'a A.; Abu-Youssef, Morsy A. M.; Vejpravová, Jana Poltierová; Langer, Vratislav; Öhrström, Lars","Methyl groups control coordination number, stoichiometry, network and magnetism in a Cu(ii)-azide-pyrazine (6,3) 2D net","CrystEngComm","2009","11","2","223","225","10.1039/b815264k","","","0.71073","MoKα","","0.0618","0.0417","","","0.0733","0.0804","","","","","","1.046","","","","has coordinates","218386","2020-10-21","18:00:00",""
"7200417","10.0626","0.0019","5.9468","0.0007","13.438","0.002","90","","95.501","0.012","90","","800.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Co N2 O4 -","- C9 H4 Co N2 O4 -","- C36 H16 Co4 N8 O16 -","4","1","","Wei, Yongqin; Yu, Yunfang; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties","CrystEngComm","2009","11","6","1054","","10.1039/b815464c","","","0.71073","MoKα","","0.0411","0.0324","","","0.079","0.0832","","","","","","1.06","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200418","8.795","0.005","9.031","0.005","12.909","0.007","90","","97.18","0.01","90","","1017.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co N2 O6 -","- C9 H8 Co N2 O6 -","- C36 H32 Co4 N8 O24 -","4","1","","Wei, Yongqin; Yu, Yunfang; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties","CrystEngComm","2009","11","6","1054","","10.1039/b815464c","","","0.71073","MoKα","","0.0421","0.0345","","","0.0946","0.1005","","","","","","1.025","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200419","10.6261","0.0006","10.3755","0.0004","10.9553","0.0005","90","","113.786","0.003","90","","1105.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O7 U -","- C8 H12 O7 U -","- C32 H48 O28 U4 -","4","1","","Thuéry, Pierre","Two novel uranyl‒organic frameworks with cyclohexane-1,3-dicarboxylate ligands","CrystEngComm","2009","11","2","232","234","10.1039/b815481c","","","0.71073","MoKα","","0.053","0.0384","","","0.0934","0.1","","","","","","1.012","","","","has coordinates,has disorder","218389","2020-10-21","18:00:00",""
"7200420","9.9445","0.0003","22.9894","0.0009","15.6684","0.0007","90","","93.096","0.003","90","","3576.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 O21 U2 -","- C26 H48 O21 U2 -","- C104 H192 O84 U8 -","4","1","","Thuéry, Pierre","Two novel uranyl‒organic frameworks with cyclohexane-1,3-dicarboxylate ligands","CrystEngComm","2009","11","2","232","234","10.1039/b815481c","","","0.71073","MoKα","","0.0486","0.0379","","","0.0933","0.0971","","","","","","1.039","","","","has coordinates","218389","2020-10-21","18:00:00",""
"7200421","8.2621","0.001","8.3419","0.001","19.247","0.002","101.726","0.002","92.286","0.002","92.437","0.002","1296.1","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cd2 N2 O15 -","- C22 H23 Cd2 N2 O15 -","- C44 H46 Cd4 N4 O30 -","2","1","","Bo Zheng; Junfeng Bai","An unprecedented nanoscale trilayered polythreading coordination array hierarchically formed from 2D square grid networks and induced by protonated 1,2-bis(4-pyridyl)ethane","CrystEngComm","2009","11","2","271","273","10.1039/b815555k","","","0.71073","MoKα","","0.0428","0.0361","","","0.0867","0.0894","","","","","","0.986","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200422","8.0087","0.0016","8.1857","0.0016","8.3767","0.0017","85.3","0.002","71.493","0.002","83.153","0.002","516.47","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O10 -","- C20 H18 Cd N2 O10 -","- C20 H18 Cd N2 O10 -","1","0.5","","Bo Zheng; Junfeng Bai","An unprecedented nanoscale trilayered polythreading coordination array hierarchically formed from 2D square grid networks and induced by protonated 1,2-bis(4-pyridyl)ethane","CrystEngComm","2009","11","2","271","273","10.1039/b815555k","","","0.71073","MoKα","","0.028","0.0269","","","0.066","0.0663","","","","","","1.055","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200423","22.1046","0.0016","22.1046","0.0016","9.7539","0.0015","90","","90","","90","","4765.9","0.9","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Co4 O20 -","- C40 H56 Co4 O20 -","- C160 H224 Co16 O80 -","4","0.25","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0524","0.0349","","","0.0877","0.0971","","","","","","1.077","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200424","14.1188","0.0011","14.1188","0.0011","9.6675","0.0015","90","","90","","120","","1668.9","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","1","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.1126","0.0877","","","0.2338","0.2457","","","","","","1.172","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200425","17.1568","0.0012","17.1568","0.0012","27.247","0.003","90","","90","","120","","6945.8","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C74 H89 Co6 N13 Na2 O32 S6 -","- C74 H89 Co6 N13 Na2 O32 S6 -","- C222 H267 Co18 N39 Na6 O96 S18 -","3","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0856","0.0515","","","0.1455","0.1732","","","","","","1.022","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200426","16.0491","0.0008","16.0491","0.0008","15.3683","0.0016","90","","90","","90","","3958.5","0.5","173","2","173","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C80 H136 F24 N16 O36 Si4 Zn4 -","- C80 H64 F24 N16 O36 Si4 Zn4 -","- C80 H64 F24 N16 O36 Si4 Zn4 -","1","0.03125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.1091","0.0886","","","0.2779","0.306","","","","","","1.065","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200427","19.594","0.0003","19.594","0.0003","15.0666","0.0005","90","","90","","90","","5784.4","0.2","173","2","173","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C26.97 H18.97 Cl8.9 F6 N4 Si Zn -","- C26.968 H18.968 Cl8.904 F6 N4 Si Zn -","- C107.872 H75.872 Cl35.616 F24 N16 Si4 Zn4 -","4","0.125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.1601","0.1088","","","0.2958","0.3287","","","","","","1.239","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200428","22.0593","0.0013","22.0593","0.0013","15.0937","0.0018","90","","90","","90","","7344.8","1.1","173","2","173","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C32 H24 F6 N4 Si Zn -","- C32 H24 F6 N4 Si Zn -","- C128 H96 F24 N16 Si4 Zn4 -","4","0.125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.0931","0.0704","","","0.186","0.1927","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200429","11.6713","0.0016","11.9766","0.0016","12.9","0.0017","100.226","0.002","105.549","0.003","118.571","0.002","1422.6","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate","tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate","","- C30 H40 Cu3 N20 O28 V10 -","- C30 H40 Cu3 N20 O28 V10 -","- C30 H40 Cu3 N20 O28 V10 -","1","0.5","","Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley","Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O","CrystEngComm","2009","11","4","625","","10.1039/b815840a","","","0.71073","MoKα","","0.0578","0.0501","","","0.0995","0.1026","","","","","","1.199","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200430","11.582","0.002","11.659","0.001","12.451","0.002","114.66","0.003","107.439","0.002","91.639","0.003","1434.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 Cu N10 O15 V5 -","- C15 H21 Cu N10 O15 V5 -","- C30 H42 Cu2 N20 O30 V10 -","2","1","","Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley","Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O","CrystEngComm","2009","11","4","625","","10.1039/b815840a","","","0.71073","MoKα","","0.0627","0.0552","","","0.1304","0.1396","","","","","","1.244","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200431","8.0602","0.0007","5.7898","0.0005","18.0494","0.0015","90","","114.606","0.002","90","","765.82","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.093","0.055","","","0.1349","0.1624","","","","","","1.03","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200432","8.0411","0.0006","5.7561","0.0004","17.876","0.0014","90","","114.04","0.001","90","","755.63","0.1","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0685","0.0477","","","0.1246","0.1425","","","","","","1.041","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200433","8.0279","0.0006","5.7186","0.0004","17.6994","0.0013","90","","113.47","0.001","90","","745.33","0.09","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0571","0.0459","","","0.1184","0.1286","","","","","","1.02","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200434","8.0185","0.0006","5.6848","0.0004","17.5444","0.0012","90","","112.991","0.001","90","","736.21","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.049","0.0425","","","0.1174","0.1243","","","","","","1.074","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200435","7.9963","0.0006","5.6699","0.0004","17.4179","0.0013","90","","112.752","0.001","90","","728.25","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0424","0.038","","","0.103","0.1066","","","","","","1.075","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200436","10.3129","0.0006","7.4611","0.0005","25.3216","0.0016","90","","90","","90","","1948.4","0.2","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.079","0.0505","","","0.1294","0.1556","","","","","","1.046","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200437","10.2801","0.0008","7.411","0.0005","25.2458","0.0019","90","","90","","90","","1923.4","0.2","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0702","0.0535","","","0.1497","0.1697","","","","","","1.031","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200438","10.2466","0.0006","7.3631","0.0004","25.1655","0.0015","90","","90","","90","","1898.65","0.19","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0549","0.0458","","","0.1348","0.1467","","","","","","1.073","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200439","10.2078","0.0006","7.3313","0.0004","25.1387","0.0014","90","","90","","90","","1881.29","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0503","0.0422","","","0.124","0.1339","","","","","","1.057","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200440","10.1607","0.0005","7.296","0.0004","25.1132","0.0013","90","","90","","90","","1861.7","0.17","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0442","0.0391","","","0.114","0.1197","","","","","","1.059","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200441","5.8529","0.0006","8.6855","0.0008","9.0724","0.0009","103.447","0.002","90.696","0.002","95.572","0.002","446.15","0.08","300","","300","","","","","","","","","4","P -1","-P 1","2","4-Methoxy-beta-nitrostyrene","4-Methoxy-β-nitrostyrene","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0861","0.06","","","0.1898","0.2189","","","","","","1.063","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200442","5.7014","0.0003","8.4321","0.0005","9.1812","0.0005","103.481","0.001","90.271","0.001","97.265","0.001","425.51","0.04","90","","90","","","","","","","","","4","P -1","-P 1","2","4-Methoxy-beta-nitrostyrene","4-Methoxy-β-nitrostyrene","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0399","0.0366","","","0.1093","0.1142","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200443","22.062","0.0004","11.0025","0.0004","13.1831","0.0008","90","","91.7568","0.001","90","","3198.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cu2 N3 O14 -","- C29 H31 Cu2 N3 O14 -","- C116 H124 Cu8 N12 O56 -","4","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0751","0.0554","","","0.1507","0.164","","","","","","1.128","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200444","9.0654","0.0002","10.6309","0.0003","11.5309","0.0002","92.4596","0.0012","110.251","0.0016","100.35","0.0009","1018.94","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Co N O14 -","- C12 H26 Co N O14 -","- C24 H52 Co2 N2 O28 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0534","0.0399","","","0.0977","0.1071","","","","","","1.047","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200445","7.1365","0.0002","8.1576","0.0002","11.0316","0.0003","71.34","0.0012","75.4362","0.0009","78.585","0.0011","584.06","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Co Na2 O20 -","- C14 H28 Co Na2 O20 -","- C14 H28 Co Na2 O20 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0543","0.0405","","","0.0942","0.1026","","","","","","1.068","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200446","10.1872","0.0002","11.3944","0.0003","13.2253","0.0004","110.711","0.0009","107.192","0.0012","100.411","0.0013","1300.02","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H30.5 N2.5 Ni O12 -","- C19.5 H30.5 N2.5 Ni O12 -","- C39 H61 N5 Ni2 O24 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0654","0.0562","","","0.1362","0.1403","","","","","","1.172","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200447","7.3367","0.0002","8.0935","0.0002","10.9671","0.0004","68.7292","0.001","75.1539","0.001","70.66","0.002","565.71","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 Cu O9 -","- C7 H12 Cu O9 -","- C14 H24 Cu2 O18 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0667","0.0508","","","0.1289","0.1386","","","","","","1.068","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200448","7.7137","0.0002","9.4183","0.0003","11.424","0.0004","113.8","0.0017","92.2836","0.0016","107.734","0.002","710.56","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H36 Ni2 O25 -","- C14 H36 Ni2 O25 -","- C14 H36 Ni2 O25 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0643","0.0467","","","0.1056","0.1144","","","","","","1.041","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200449","7.4968","0.0001","14.7124","0.0003","11.092","0.0002","90","","91.6835","0.0008","90","","1222.87","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Ni O10 -","- C7 H14 Ni O10 -","- C28 H56 Ni4 O40 -","4","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0516","0.043","","","0.1132","0.12","","","","","","1.076","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200450","7.3697","0.0002","8.6305","0.0002","9.7369","0.0003","83.6472","0.0009","76.7314","0.001","78.0218","0.0017","588.36","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 Cu O10 -","- C7 H14 Cu O10 -","- C14 H28 Cu2 O20 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0526","0.048","","","0.1322","0.1367","","","","","","1.084","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200453","10.2688","0.001","11.1859","0.001","18.4444","0.0017","80.255","0.001","83.122","0.001","89.729","0.001","2072.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 N4 Ni2 O15 S2 -","- C36 H38 N4 Ni2 O15 S2 -","- C72 H76 N8 Ni4 O30 S4 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0466","0.0371","","","0.0969","0.1036","","","","","","1.028","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200454","14.3584","0.0014","8.2781","0.0008","15.8981","0.0015","90","","93.735","0.001","90","","1885.6","0.3","291","2","291","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H26 N6 Ni2 O14 S2 -","- C36 H26 N6 Ni2 O14 S2 -","- C72 H52 N12 Ni4 O28 S4 -","2","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0303","0.0268","","","0.0879","0.0942","","","","","","0.735","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200455","10.117","0.004","19.692","0.008","15.346","0.006","90","","106.672","0.004","90","","2929","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 Ni O6 S2 -","- C28 H22 N4 Ni O6 S2 -","- C112 H88 N16 Ni4 O24 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.035","0.0296","","","0.0714","0.075","","","","","","1.03","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200456","15.3099","0.001","27.9468","0.0018","15.7112","0.001","90","","114.862","0.001","90","","6099.2","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 N4 Ni2 O9 S2 -","- C44 H42 N4 Ni2 O9 S2 -","- C176 H168 N16 Ni8 O36 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0591","0.0543","","","0.1458","0.1506","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200457","5.0491","0.0007","13.389","0.0016","8.584","0.0011","90","","97.249","0.004","90","","575.66","0.13","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NH4cdm","Ammonium carbamoyldicyanomethanide","","- C4 H6 N4 O -","- C4 H6 N4 O -","- C16 H24 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.062","0.041","","","0.0964","0.1071","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200458","5.8451","0.0003","12.8144","0.0006","9.5395","0.0005","90","","103.573","0.004","90","","694.57","0.06","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeH3cdm","Methylammonium carbamoyldicyanomethanide","","- C5 H8 N4 O -","- C5 H8 N4 O -","- C20 H32 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0695","0.0554","","","0.1185","0.1279","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200459","7.188","0.0018","8.2151","0.0021","8.5656","0.0023","71.608","0.008","65.906","0.008","75.772","0.008","434.1","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","[Me2H2N](cdm)","dimethylammonium carbamoyldicyanomethanide","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C12 H20 N8 O2 -","2","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0817","0.071","","","0.1602","0.1662","","","","","","1.174","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200460","19.6961","0.0012","7.0629","0.0004","16.3887","0.0009","90","","125.203","0.003","90","","1862.9","0.2","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Me3HN](cdm)","trimethylammonium carbamoyldicyanomethanide","","- C7 H12 N4 O -","- C7 H12 N4 O -","- C56 H96 N32 O8 -","8","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0574","0.0496","","","0.1034","0.1087","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200461","8.9167","0.0003","8.8432","0.0003","13.5613","0.0005","90","","94.897","0.002","90","","1065.43","0.06","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me4Ncdm","Tetramethylammonium carbamoyldicyanomethanide","","- C8 H14 N4 O -","- C8 H14 N4 O -","- C32 H56 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.049","0.0405","","","0.0933","0.0978","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200462","19.1746","0.0018","9.5707","0.0008","13.9859","0.0018","90","","93.109","0.004","90","","2562.8","0.5","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Triethylmethylammonium carbamoyldicyanomethanide","Triethylmethylammonium carbamoyldicyanomethanide","","- C11 H20 N4 O -","- C11 H20 N4 O -","- C88 H160 N32 O8 -","8","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.1346","0.1091","","","0.2274","0.2425","","","","","","1.207","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200463","9.4203","0.0019","17.1223","0.0036","9.8809","0.0023","90","","116.939","0.007","90","","1420.8","0.5","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","BzMe3N(cdm)","Benzyltrimethylammonium Carbamoyldicyanomethanide","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0614","0.0549","","","0.1225","0.1295","","","","","","1.075","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200464","12.3447","0.0003","4.5957","0.0001","11.4845","0.0003","90","","95.416","0.002","90","","648.64","0.03","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C32 H26 N6 O2 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.0272","0.026","","","0.0639","0.0646","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200465","19.584","0.005","8.062","0.0019","20.523","0.005","90","","90","","90","","3240.3","1.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Cl N3 O5 -","- C16 H14 Cl N3 O5 -","- C128 H112 Cl8 N24 O40 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1926","0.0785","","","0.1532","0.1806","","","","","","1.24","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200466","19.5575","0.0015","8.7354","0.0007","17.3377","0.0018","90","","113.379","0.005","90","","2718.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.172","0.0635","","","0.1124","0.1493","","","","","","1.017","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200467","17.719","0.003","15.831","0.003","18.506","0.003","90","","106.694","0.009","90","","4972.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H92 Cl6 N18 O33 -","- C96 H88 Cl6 N18 O33 -","- C192 H176 Cl12 N36 O66 -","2","0.5","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1658","0.0646","","","0.1703","0.2215","","","","","","0.946","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200468","9.8403","0.0008","10.5515","0.0011","13.0173","0.0011","90","","90","","90","","1351.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1121","0.0657","","","0.1478","0.183","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200469","7.428","0.002","13.936","0.004","17.274","0.005","108.989","0.005","93.671","0.005","97.095","0.005","1667.5","0.8","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 N4 O13 -","- C32 H28 Cl2 N4 O13 -","- C64 H56 Cl4 N8 O26 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.2752","0.0949","","","0.1407","0.1671","","","","","","1.331","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200470","23.922","0.002","23.154","0.002","28.13","0.003","90","","100.444","0.002","90","","15323","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H152 Mn4 N8 O28 S8 -","- C112 H112 Mn4 N4 O24 S8 -","- C448 H448 Mn16 N16 O96 S32 -","4","1","","Dai, Fangna; He, Haiyan; Xie, Aiping; Chu, Guodong; Sun, Daofeng; Ke, Yanxiong","Self-assembly of a novel metal‒organic coordination cage (MOCC) based on a new flexible dicarboxylate ligand: synthesis, crystal structure and magnetic property","CrystEngComm","2009","11","1","47","","10.1039/b816015p","","","0.71073","MoKα","","0.1295","0.0701","","","0.1866","0.2103","","","","","","0.85","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200471","9.7297","0.0002","10.5937","0.0002","24.9904","0.0003","87.271","0.001","80.123","0.001","86.955","0.001","2532.15","0.08","296","","296","","","","","","","","","5","P -1","-P 1","2","","Hexamelaminium-nitrato-tetraoxalatoytterbate(III)-triaqua","","- C26 H49.3 N37 O22.65 Yb -","- C26 H46 N37 O22.65 Yb -","- C52 H92 N74 O45.3 Yb2 -","2","1","","Baisch, Ulrich; Braga, Dario","[Yb(C2O4)4]5−‒ a versatile metal‒organic building block for layered coordination polymers","CrystEngComm","2009","11","1","40","","10.1039/b816022h","","","0.7107","MoKα","","0.0722","0.0475","","","0.1456","0.1494","","","","","","1.307","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200472","4.8414","0.0003","32.557","0.003","5.7845","0.0009","90","","96.016","0.007","90","","906.74","0.17","293","","293","","","","","","","","hydrothermal synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cu O6 P -","- C7 H7 Cu O6 P -","- C28 H28 Cu4 O24 P4 -","4","1","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0463","0.0289","","","0.0295","0.0308","","","","1.81","1.81","1.64","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200473","14.656","0.003","14.656","0.003","16.905","0.002","90","","90","","120","","3144.7","1","293","","293","","","","","","","","hydrothermal synthesis","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C28 H30 Cu6 O27 P4 -","- C28 H32 Cu6 O28 P4 -","- C84 H96 Cu18 O84 P12 -","3","0.25","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0972","0.0484","","","0.0493","0.0528","","","","1.89","1.89","1.56","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200474","7.6207","0.001","20.686","0.003","11.6092","0.0016","90","","97.296","0.002","90","","1815.3","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 Cu4 N2 O28 -","- C24 H29 Cu4 N2 O29 -","- C48 H58 Cu8 N4 O58 -","2","1","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0309","0.0279","","","0.0644","0.0657","","","","","","1.015","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200475","8.903","0.005","23.565","0.014","8.164","0.005","90","","111.178","0.009","90","","1597.1","1.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cu3 N2 O23 -","- C25 H26 Cu3 N2 O23 -","- C50 H52 Cu6 N4 O46 -","2","0.5","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0456","0.0372","","","0.1159","0.1212","","","","","","1.09","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200476","12.664","0.004","8.986","0.003","14.687","0.005","90","","114.762","0.005","90","","1517.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.0539","0.043","","","0.1077","0.1144","","","","","","1.073","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200477","14.4804","0.0007","14.4804","0.0007","18.9354","0.0018","90","","90","","120","","3438.5","0.4","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C36 H28 Cl2 Co N8 O4 -","- C36 H28 Cl2 Co N8 O4 -","- C108 H84 Cl6 Co3 N24 O12 -","3","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1187","0.0585","","","0.1375","0.1532","","","","","","0.862","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200478","9.131","0.004","11.139","0.004","20.248","0.007","89.912","0.007","85.131","0.009","70.814","0.007","1937.3","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cd N10 O10 -","- C36 H28 Cd N10 O9.98 -","- C72 H56 Cd2 N20 O19.96 -","2","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1438","0.0768","","","0.1659","0.1956","","","","","","0.927","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200479","9.9398","0.0008","16.813","0.0013","14.9567","0.0012","90","","95.146","0.001","90","","2489.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Co N4 O13 S -","- C18 H28 Co N4 O13 S -","- C72 H112 Co4 N16 O52 S4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.0644","0.0553","","","0.1272","0.1317","","","","","","1.175","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200481","20.008","0.002","53.655","0.006","8.9809","0.001","90","","90","","90","","9641.3","1.8","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H46 Cd2 N8 O11 -","- C48 H44 Cd2 N8 O11 -","- C384 H352 Cd16 N64 O88 -","8","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0818","0.0471","","","0.0853","0.0959","","","","","","0.898","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200482","8.8554","0.0011","19.877","0.002","26.017","0.003","90","","97.727","0.002","90","","4537.9","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H46 N8 Ni2 O11 -","- C48 H46 N8 Ni2 O11 -","- C192 H184 N32 Ni8 O44 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0845","0.0543","","","0.0854","0.0947","","","","","","0.878","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200483","12.999","0.003","6.7152","0.0014","16.547","0.003","90","","95.999","0.004","90","","1436.5","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.1473","0.095","","","0.2125","0.2474","","","","","","1.033","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200484","8.6765","0.0009","11.9414","0.0012","24.044","0.002","81.697","0.002","88.455","0.002","84.325","0.002","2452.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H99 Co4 N16 O19 -","- C104 H96 Co4 N16 O19 -","- C104 H96 Co4 N16 O19 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.1053","0.0672","","","0.1296","0.1501","","","","","","1.038","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200485","14.7584","0.001","14.263","0.0009","12.199","0.0008","90","","90","","90","","2567.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cd N4 O5 -","- C28 H22 Cd N4 O5 -","- C112 H88 Cd4 N16 O20 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0248","0.0224","","","0.0561","0.0575","","","","","","1.043","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200486","28.442","0.003","5.7468","0.0006","24.666","0.003","90","","112.039","0.002","90","","3737.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H68 N8 Ni4 O24 -","- C84 H68 N8 Ni4 O24 -","- C168 H136 N16 Ni8 O48 -","2","0.25","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0547","0.0414","","","0.09","0.0962","","","","","","1.022","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200487","10.241","0.0008","25.067","0.0019","17.916","0.0014","90","","102.304","0.014","90","","4493.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H108 Cl N5 O16 -","- C99 H107 Cl N4 O16 -","- C198 H214 Cl2 N8 O32 -","2","0.5","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Self-assembly of heteroditopic calix[4]arene capsules through ion-pair recognition","CrystEngComm","2009","11","2","239","","10.1039/b816490h","","","0.71073","MoKα","","0.1598","0.1049","","","0.3235","0.3624","","","","","","1.01","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200489","6.4341","0.0012","7.3046","0.0014","8.8257","0.0017","85.98","0.004","88.527","0.004","83.187","0.004","410.79","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","1","1","","Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J.","Bottom-up design and construction of a non-centrosymmetric network through π‒π stacking interactions","CrystEngComm","2009","11","2","226","228","10.1039/b816630g","","","0.71073","MoKα","","0.0411","0.0363","","","0.0752","0.0765","","","","","","0.911","","","","has coordinates","218392","2020-10-21","18:00:00",""
"7200490","3.799","0.0003","10.4652","0.0009","12.4395","0.001","90","","90.309","0.006","90","","494.55","0.07","273","2","273","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 H6 O4 -","- C12 H6 O4 -","- C24 H12 O8 -","2","0.5","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0919","0.0683","","","0.1602","0.1736","","","","","","1.191","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200491","8.5222","0.0004","9.1871","0.0005","23.073","0.0011","90","","97.067","0.002","90","","1792.76","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0961","0.0765","","","0.2051","0.2269","","","","","","1.113","","","","has coordinates,has disorder","218424","2020-10-21","18:00:00",""
"7200492","56.173","0.005","3.777","0.005","11.66","0.005","90","0.005","96.062","0.005","90","0.005","2460","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O6 -","- C12 H10 O6 -","- C96 H80 O48 -","8","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0588","0.047","","","0.1659","0.1783","","","","","","1.174","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200493","3.7812","0.0003","6.1345","0.0005","13.3677","0.0011","101.929","0.005","93.522","0.005","93.507","0.005","301.94","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O6 -","- C12 H10 O6 -","- C12 H10 O6 -","1","0.5","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0497","0.0422","","","0.1188","0.1298","","","","","","1.089","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200494","9.523","0.0018","17.603","0.005","9.8656","0.0017","90","0.018","103.425","0.013","90","0.019","1608.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","1.5418","CuKα","","0.0866","0.063","","","0.2672","0.2783","","","","","","1.095","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200495","8.4405","0.0006","11.4677","0.0008","11.7069","0.0008","108.704","0.001","95","0.001","95.813","0.001","1059.14","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu2 N2 O7 S2 -","- C14 H14 Cl2 Cu2 N2 O7 S2 -","- C28 H28 Cl4 Cu4 N4 O14 S4 -","2","1","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0516","0.0416","","","0.1074","0.112","","","","","","1.046","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200496","18.9365","0.0013","10.7022","0.0007","20.3222","0.0014","90","","114.901","0.001","90","","3735.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu N6 O10 S6 -","- C30 H32 Cu N6 O10 S6 -","- C120 H128 Cu4 N24 O40 S24 -","4","0.5","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0715","0.0361","","","0.0635","0.0697","","","","","","0.883","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200497","20.144","0.002","16.6614","0.0017","10.5603","0.0011","90","","90","","90","","3544.3","0.6","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C30 H28 Cu N6 O8 S6 -","- C30 H24 Cu N6 O8 S6 -","- C120 H96 Cu4 N24 O32 S24 -","4","","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.1314","0.0497","","","0.0665","0.0794","","","","","","0.774","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200498","7.6637","0.0014","7.8319","0.0014","10.2543","0.0018","71.048","0.003","83.663","0.003","77.074","0.003","566.89","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu N2 O10 S4 -","- C14 H24 Cu N2 O10 S4 -","- C14 H24 Cu N2 O10 S4 -","1","0.5","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0541","0.0375","","","0.0871","0.0951","","","","","","1.073","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200500","6.8018","0.0001","10.1299","0.0003","16.5594","0.0004","90","","95.4264","0.0017","90","","1135.86","0.05","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","","","0.71073","MoKα","","0.0441","0.0343","","","0.0815","0.0872","","","","","","1.026","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200501","6.731","0.001","9.996","0.002","16.489","0.004","90","","95.235","0.019","90","","1104.8","0.4","50","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200502","6.7484","0.0002","10.0584","0.0003","16.5583","0.0005","90","","95.276","0.001","90","","1119.18","0.06","50","2","50","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","","","0.71073","MoKα","","0.046","0.0368","","","0.092","0.0974","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200503","11.016","0.002","25.86","0.005","4.517","0.0009","90","","90","","90","","1286.8","0.4","294","2","113","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","bis(3-pyrazinylcarbonylaminopropyl)amine","","","- C16 H37 N7 O10 -","- C16 H37 N7 O10 -","- C32 H74 N14 O20 -","2","0.5","","Shi, Xue-Fang; Song, Hai-Bin; He, Lei; Zhang, Wen-Qin","Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host","CrystEngComm","2009","11","4","542","","10.1039/b816974h","","","0.71073","MoKα","","0.0602","0.0469","","","0.1105","0.1168","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200504","26.349","0.004","7.3596","0.0011","8.8067","0.0013","90","","101.072","0.002","90","","1676","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H8 Br N4 O -","- C20 H8 Br N4 O -","- C80 H32 Br4 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0309","0.0275","","","0.0577","0.0641","","","","","","0.987","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200505","26.469","0.003","7.274","0.0008","8.7625","0.001","90","","100.479","0.002","90","","1659","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H11 N4 O -","- C21 H11 N4 O -","- C84 H44 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0619","0.0481","","","0.1068","0.1238","","","","","","1.053","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200506","8.635","0.001","8.67","0.001","14.688","0.002","89.29","0.01","88.85","0.01","60.12","0.01","953.3","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H60 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","1","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","0.71073","MoKα","","0.0687","0.0431","","","0.0945","0.1011","","","","","","0.884","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200507","15.4878","0.0007","8.8523","0.0005","49.23","0.003","90","","92.832","0.006","90","","6741.3","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H55.5 Cl2 N7 O8.25 Zn -","- C25 H55 Cl2 N7 O8.247 Zn -","- C200 H440 Cl16 N56 O65.976 Zn8 -","8","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","1.54184","CuKα","","0.1503","0.1009","","","0.2935","0.331","","","","","","1.059","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200508","7.176","0.0013","10.5145","0.0018","20.899","0.004","90","","99.3","0.003","90","","1556.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium thiosulfate","","","- C10 H16 Cd N2 O7 S2 -","- C10 H14 Cd N2 O7 S2 -","- C40 H56 Cd4 N8 O28 S8 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0374","0.0323","","","0.0792","0.0823","","","","","","1.109","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200509","12.628","0.002","15.081","0.002","17.362","0.003","90","","107.076","0.003","90","","3160.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cadmium thiosulfate","","","- C15 H12 Cd N3 O3 S2 -","- C15 H12 Cd N3 O3 S2 -","- C120 H96 Cd8 N24 O24 S16 -","8","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0433","0.0332","","","0.07","0.0742","","","","","","1.09","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200510","11.0343","0.0017","15.894","0.002","15.823","0.002","90","","91.969","0.003","90","","2773.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cadmium thiosulfate","","","- C25 H20 Cd2 N5 O6 S4 -","- C25 H20 Cd2 N5 O6 S4 -","- C100 H80 Cd8 N20 O24 S16 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0558","0.0372","","","0.0646","0.0705","","","","","","1.099","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200511","8.5157","0.0003","10.8984","0.0003","17.6615","0.0006","90","","90","","90","","1639.12","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N2 O9 -","- C10 H20 Cu N2 O9 -","- C40 H80 Cu4 N8 O36 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0728","0.0522","","","0.1227","0.1657","","","","","","1.103","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200512","11.2411","0.0003","16.5043","0.0005","8.4442","0.0003","90","","90","","90","","1566.62","0.08","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Cu N2 O9 -","- C10 H19 Cu N2 O8.5 -","- C40 H76 Cu4 N8 O34 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0549","0.0361","","","0.0968","0.1494","","","","","","1.078","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200516","20.2664","0.0017","5.8748","0.0005","13.1428","0.0011","90","","90","","90","","1564.8","0.2","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C31 H35 Cu2 N7 O S2 -","- C31 H35 Cu2 N7 O S2 -","- C62 H70 Cu4 N14 O2 S4 -","2","0.25","","Ren, Shi-Bin; Yang, Xiao-Li; Zhang, Jun; Li, Yi-Zhi; Zheng, You-Xuan; Du, Hong-Bin; You, Xiao-Zeng","An infinite photoluminescent coordination nanotube [CuSCN(L)]·(DMF)0.5","CrystEngComm","2009","11","2","246","","10.1039/b817229c","","","0.71073","MoKα","","0.0426","0.0372","","","0.0921","0.094","","","","","","1.089","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200529","10.7482","0.0005","17.4273","0.0008","16.4072","0.0006","90","","120.69","0.002","90","","2642.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Co N2 O9 -","- C25 H28 Co N2 O9 -","- C100 H112 Co4 N8 O36 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0759","0.0464","","","0.1233","0.1364","","","","","","1.056","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200530","10.727","0.002","17.456","0.004","16.435","0.003","90","","120.721","0.012","90","","2645.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O9 Zn -","- C25 H25 N2 O9 Zn -","- C100 H100 N8 O36 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0757","0.0583","","","0.1759","0.1889","","","","","","1.051","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200531","16.3719","0.0006","22.7018","0.0006","7.4514","0.0002","90","","94.705","0.002","90","","2760.14","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Na2 O14 Zn -","- C28 H22 Na2 O14 Zn -","- C112 H88 Na8 O56 Zn4 -","4","0.5","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0438","0.0328","","","0.0831","0.0891","","","","","","1.028","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200532","10.8004","0.0001","11.7121","0.0002","15.6378","0.0002","102.683","0.001","106.283","0.001","101.937","0.001","1774.72","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N4 O12 Zn -","- C34 H38 N4 O12 Zn -","- C68 H76 N8 O24 Zn2 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0919","0.057","","","0.1659","0.1915","","","","","","1.025","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7200533","9.3548","0.0003","18.3574","0.0006","18.7369","0.0006","90","","115.724","0.002","90","","2898.8","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N7 O7 Zn -","- C26 H29 N7 O7 Zn -","- C104 H116 N28 O28 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.06","0.0442","","","0.1193","0.1303","","","","","","1.036","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200534","8.6774","0.0007","11.7824","0.0009","12.3236","0.0015","108.07","0.003","94.205","0.003","109.158","0.002","1109.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 Na2 O18 Zn2 -","- C40 H40 N4 Na2 O18 Zn2 -","- C40 H40 N4 Na2 O18 Zn2 -","1","0.5","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0576","0.0397","","","0.1022","0.1117","","","","","","1.038","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200535","11.3948","0.0005","17.2622","0.0007","22.0932","0.0009","98.39","0.002","90.784","0.002","98.487","0.002","4249.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H88 N10 O35 Zn4 -","- C74 H76 N10 O35 Zn4 -","- C148 H152 N20 O70 Zn8 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.1093","0.0692","","","0.2142","0.2467","","","","","","1.054","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7200536","11.4686","0.0007","18.0561","0.0011","17.4989","0.001","90","","103.013","0.003","90","","3530.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N4 O9 Zn -","- C38 H26 N4 O9 Zn -","- C152 H104 N16 O36 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.13","0.0911","","","0.2745","0.3227","","","","","","1.155","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200537","11.983","0.003","12.683","0.003","13.089","0.004","75.057","0.01","89.597","0.011","71.714","0.01","1819","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H27 Cl N4 O10 Zn -","- C38 H26 Cl N4 O10 Zn -","- C76 H52 Cl2 N8 O20 Zn2 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.1149","0.0863","","","0.28","0.3065","","","","","","1.141","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200538","7.404","0.0015","26.67","0.005","8.218","0.0016","90","","99.2","0.03","90","","1601.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Mn N0 O5 S4 -","- C12 H8 Mn O5 S4 -","- C48 H32 Mn4 O20 S16 -","4","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.5418","CuKα","","0.0346","0.0284","","","0.072","0.0739","","","","","","1.001","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200539","11.0311","0.0004","11.5197","0.0005","27.033","0.001","90","","100.739","0.004","90","","3375.1","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Mn2 N2 O11 S6 -","- C26 H18 Mn2 N2 O11 S6 -","- C104 H72 Mn8 N8 O44 S24 -","4","0.5","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0342","0.0305","","","0.0889","0.0903","","","","","","1.094","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200540","20.1491","0.0003","7.6548","0.0001","25.6413","0.0005","90","","90","","90","","3954.85","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Mn N2 O5 S3 -","- C18 H13 Mn N2 O5 S3 -","- C144 H104 Mn8 N16 O40 S24 -","8","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0365","0.0305","","","0.0852","0.0869","","","","","","1.007","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200541","13.264","0.003","13.611","0.003","14.666","0.003","109.4","0.03","116.56","0.03","98.51","0.03","2091.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Cu3 N16 O44 P W12 -","- C56 H56 Cu3 N16 O44 P W12 -","- C56 H56 Cu3 N16 O44 P W12 -","1","0.5","","Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min","Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility","CrystEngComm","2009","11","5","902","908","10.1039/b817653a","","","0.71073","MoKα","","0.0727","0.0506","","","0.1152","0.1284","","","","","","1.057","","","","has coordinates","218484","2020-10-21","18:00:00",""
"7200542","11.0336","0.0015","12.6711","0.0017","13.1776","0.0018","104.684","0.002","97.188","0.002","100.502","0.002","1723.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","1","0.5","","Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min","Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility","CrystEngComm","2009","11","5","902","908","10.1039/b817653a","","","0.71073","MoKα","","0.0768","0.0459","","","0.1125","0.1283","","","","","","1.059","","","","has coordinates","218484","2020-10-21","18:00:00",""
"7200543","16.2898","0.0008","7.7309","0.0004","22.0964","0.0011","90","","104.532","0.002","90","","2693.7","0.2","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H68 Cu2 N4 O14 -","- C60 H68 Cu2 N4 O14 -","- C120 H136 Cu4 N8 O28 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0667","0.03","","0.0558","0.031","0.031","","","","","","1.1162","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200544","5.5583","0.0002","20.5367","0.0006","10.824","0.0003","90","","103.482","0.001","90","","1201.5","0.07","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Cu N3 O5 -","- C26 H33 Cu N3 O5 -","- C52 H66 Cu2 N6 O10 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0328","0.0227","","0.0273","0.024","0.024","","","","","","1.085","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200545","8.8855","0.0004","10.8153","0.0004","13.0636","0.0005","97.313","0.002","109.121","0.002","107.198","0.002","1097.61","0.08","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C24 H30 Cu N2 O5 -","- C24 H30 Cu N2 O5 -","- C48 H60 Cu2 N4 O10 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0652","0.0311","","0.0561","0.0317","0.0317","","","","","","1.0829","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200546","7.9957","0.0004","9.7477","0.0006","10.7688","0.0008","63.248","0.004","69.699","0.004","87.997","0.004","695.52","0.08","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H16 Cd Cl3 N3 O2 S -","- C5 H16 Cd Cl3 N3 O2 S -","- C10 H32 Cd2 Cl6 N6 O4 S2 -","2","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0519","0.0389","","","0.098","0.1035","","","","","","0.99","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200547","8.3087","0.0017","13.661","0.003","15.298","0.003","113.89","0.03","96.41","0.03","102.12","0.03","1514.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 Cd3 Cl8 N6 O S2 -","- C14 H30 Cd3 Cl8 N6 O S2 -","- C28 H60 Cd6 Cl16 N12 O2 S4 -","2","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0786","0.0876","","","","","","1.124","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200548","7.5685","0.0015","20.604","0.004","10.448","0.002","90","","104.89","0.03","90","","1574.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cd2 Cl6 N2 O -","- C6 H16 Cd2 Cl6 N2 O -","- C24 H64 Cd8 Cl24 N8 O4 -","4","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0215","0.0196","","","0.0483","0.0489","","","","","","1.113","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200549","6.803","0.003","11.084","0.005","10.664","0.005","90","","107.066","0.004","90","","768.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cd2 Cl6 N2 O2 -","- C4 H12 Cd2 Cl6 N2 O2 -","- C8 H24 Cd4 Cl12 N4 O4 -","2","0.5","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0342","0.0292","","","0.0638","0.0655","","","","","","1.067","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200550","10.839","0.002","12.536","0.003","18.91","0.004","90","","90","","90","","2569.4","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H13 Cl N4 S2 Zn -","- C8 H13 Cl N4 S2 Zn -","- C64 H104 Cl8 N32 S16 Zn8 -","8","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0626","0.0512","","","0.1135","0.1186","","","","","","1.144","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200551","8.637","0.0004","20.346","0.002","9.7847","0.0005","90","","90","","90","","1719.4","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 I4 N4 Pb -","- C6 H14 I4 N4 Pb -","- C24 H56 I16 N16 Pb4 -","4","0.5","","Mercier, Nicolas; Louvain, Nicolas; Bi, Wenhua","Structural diversity and retro-crystal engineering analysis of iodometalate hybrids","CrystEngComm","2009","11","5","720","","10.1039/b817891g","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0581","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200552","15.732","0.004","10.328","0.003","15.061","0.004","90","","116.494","0.004","90","","2190.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl3 In N3 O7 -","- C17 H19 Cl3 In N3 O7 -","- C68 H76 Cl12 In4 N12 O28 -","4","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0329","0.0278","","","0.0603","0.0631","","","","","","1.045","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200553","15.79","0.007","18.403","0.008","18.777","0.007","113.459","0.003","104.03","0.005","97.84","","4687","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H77 In2 N15 O36 -","- C89 H61 In2 N15 O36 -","- C178 H122 In4 N30 O72 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.1459","0.0929","","","0.2251","0.2668","","","","","","1.102","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200554","8.958","0.002","14.948","0.003","30.757","0.008","89.685","0.006","89.532","0.005","78.434","0.005","4034.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 In2 N12 O31 -","- C72 H48 In2 N12 O31 -","- C144 H96 In4 N24 O62 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.1035","0.072","","","0.1969","0.2276","","","","","","1.019","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200555","8.114","0.004","12.648","0.006","16.325","0.006","90","","115.375","0.019","90","","1513.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cl4 In4 N8 O28 -","- C48 H44 Cl4 In4 N8 O28 -","- C48 H44 Cl4 In4 N8 O28 -","1","0.25","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.024","0.0228","","","0.0604","0.0612","","","","","","1.138","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200556","10.8599","0.0005","11.5232","0.0004","11.6934","0.0006","90","","114.691","0.002","90","","1329.54","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H14 Cl2 In2 N4 O8 -","- C24 H14 Cl2 In2 N4 O8 -","- C48 H28 Cl4 In4 N8 O16 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0178","0.0173","","","0.0445","0.0447","","","","","","1.072","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200557","7.0901","0.0012","17.798","0.003","11.1041","0.0014","90","","121.728","0.008","90","","1191.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 Co N10 O2.6 -","- C26 H17.2 Co N10 O2.6 -","- C52 H34.4 Co2 N20 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0461","0.0391","","","0.0963","0.1007","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200558","6.9626","0.0013","17.913","0.003","11.0206","0.0016","90","","121.714","0.008","90","","1169.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co N10 O2 -","- C26 H16 Co N10 O2 -","- C52 H32 Co2 N20 O4 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0516","0.0437","","","0.1098","0.1158","","","","","","1.005","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200559","7.063","0.006","17.792","0.014","11.089","0.007","90","","121.31","0.04","90","","1190.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 Co N10 O2.6 -","- C26 H17.2 Co N10 O2.6 -","- C52 H34.4 Co2 N20 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0453","0.04","","","0.1106","0.1148","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200560","7.1011","0.0018","17.44","0.004","11.2157","0.0019","90","","120.736","0.011","90","","1193.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 N10 Ni O2.6 -","- C26 H17.2 N10 Ni O2.6 -","- C52 H34.4 N20 Ni2 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0484","0.041","","","0.1064","0.1118","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200561","6.976","0.0009","17.636","0.002","11.053","0.001","90","","121.308","0.006","90","","1161.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N10 Ni O2 -","- C26 H16 N10 Ni O2 -","- C52 H32 N20 Ni2 O4 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0446","0.0362","","","0.0928","0.0981","","","","","","1.011","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200562","7.0848","0.0009","17.511","0.002","11.1614","0.0011","90","","121.096","0.006","90","","1185.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 N10 Ni O2.6 -","- C26 H17.2 N10 Ni O2.6 -","- C52 H34.4 N20 Ni2 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0545","0.0455","","","0.1137","0.1195","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200563","14.767","0.003","11.735","0.002","5.0741","0.001","90","","90","","90","","879.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","Urea-glutaric acid","Urea-glutaric acid","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C24 H48 N8 O20 -","4","0.5","","Chadwick, Keith; Davey, Roger; Sadiq, Ghazala; Cross, Wendy; Pritchard, Robin","The utility of a ternary phase diagram in the discovery of new co-crystal forms","CrystEngComm","2009","11","3","412","","10.1039/b818268j","","x-ray","0.71073","MoKα","","0.1432","0.0771","","","0.1543","0.1897","","","","","","1.16","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200564","17.372","0.004","5.1248","0.0013","11.968","0.003","90","","103.925","0.004","90","","1034.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0614","0.0493","","","0.1215","0.1286","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200565","5.0399","0.0013","8.901","0.002","14.031","0.004","94.044","0.004","91.533","0.004","90.092","0.004","627.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-(2-hydroxyethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide hydrate","N-(2-hydroxyethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide hydrate","","- C12 H12 N2 O7 -","- C12 H12 N2 O7 -","- C24 H24 N4 O14 -","2","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0602","0.0537","","","0.1267","0.1304","","","","","","1.243","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200566","6.8051","0.0014","24.947","0.005","8.097","0.003","90","","123.45","0.02","90","","1146.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide","N-(2-hydroxyethyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C52 H52 N4 O20 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0457","0.0378","","","0.1075","0.1138","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200567","5.3567","0.0005","22.078","0.002","9.3087","0.0008","90","","91.873","0.002","90","","1100.31","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","6-chloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","","- C12 H10 Cl N O4 -","- C12 H10 Cl N O4 -","- C48 H40 Cl4 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0384","0.0372","","","0.0916","0.0925","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200568","8.2813","0.0007","25.012","0.002","5.5283","0.0005","90","","94.459","0.002","90","","1141.62","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O4 -","- C12 H10 Br N O4 -","- C48 H40 Br4 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0575","0.0544","","","0.1142","0.1158","","","","","","1.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200575","30.0965","0.0016","30.0965","0.0016","30.0965","0.0016","90","","90","","90","","27261","3","291","2","291","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C32 H50.67 Br4 Cu6 N24 O13.33 S4 W -","- C32 H50.64 Br4 Cu6 N24 O13.3333 S4 W -","- C384 H607.68 Br48 Cu72 N288 O160 S48 W12 -","12","0.25","","Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.","Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology","CrystEngComm","2009","11","4","605","","10.1039/b818381c","","","0.71073","MoKα","","0.0562","0.0528","","","0.1182","0.1196","","","","","","1.027","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200576","30.3934","0.0018","30.3934","0.0018","30.3934","0.0018","90","","90","","90","","28076","3","291","2","291","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C40 H58.666 Br4 Cu6 N16 O13.333 S4 W -","- C40 H58.6672 Br4 Cu6 N16 O13.3333 S4 W -","- C480 H704.006 Br48 Cu72 N192 O160 S48 W12 -","12","0.25","","Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.","Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology","CrystEngComm","2009","11","4","605","","10.1039/b818381c","","","0.71073","MoKα","","0.0502","0.0441","","","0.0843","0.0859","","","","","","1.098","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200577","6.942","0.003","27.341","0.011","11.782","0.005","90","","90.095","0.007","90","","2236.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 Mn O8 -","- C19 H20 F6 Mn O8 -","- C76 H80 F24 Mn4 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0534","0.0361","","","0.0854","0.0936","","","","","","1.043","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200578","6.877","0.005","27.252","0.018","11.664","0.008","90","","90.052","0.003","90","","2186","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co F6 O8 -","- C19 H20 Co F6 O8 -","- C76 H80 Co4 F24 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0741","0.039","","","0.0836","0.0967","","","","","","1.034","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200579","6.8247","0.0005","27.1975","0.0019","11.5922","0.0008","90","","90.035","0.001","90","","2151.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 Ni O8 -","- C19 H20 F6 Ni O8 -","- C76 H80 F24 Ni4 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.051","0.0358","","","0.0852","0.0929","","","","","","1.029","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200580","12.6969","0.0007","6.9692","0.0004","23.6089","0.0009","90","","118.499","0.002","90","","1835.94","0.17","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 Cu F6 O5 -","- C17 H10 Cu F6 O5 -","- C68 H40 Cu4 F24 O20 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0309","0.0245","","","0.063","0.067","","","","","","1.009","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200581","12.9861","0.0017","12.1989","0.0016","13.2626","0.0017","90","","95.072","0.002","90","","2092.8","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H34 F12 O16 Zn2 -","- C35 H34 F12 O16 Zn2 -","- C70 H68 F24 O32 Zn4 -","2","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0482","0.0357","","","0.0693","0.0746","","","","","","1.002","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200582","30.984","0.006","30.984","0.006","6.7681","0.0014","90","","90","","90","","6497","2","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C34 H18 Ag2 F12 O8 -","- C34 H18 Ag2 F12 O8 -","- C272 H144 Ag16 F96 O64 -","8","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0659","0.0552","","","0.1287","0.135","","","","","","1.083","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200583","5.592","0.003","12.044","0.001","13.131","0.005","90","","96","0.05","90","","879.5","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nicotinamide fumaric acid 2:1","nicotinamide fumaric acid 2:1","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","0.5","","Orola, Liana; Veidis, Mikelis V.","Nicotinamide fumaric acid supramolecular cocrystals: diversity of stoichiometry","CrystEngComm","2009","11","3","415","","10.1039/b818667g","","","1.5418","CuKα","","0.058","0.0527","","0.0786","0.0673","0.0673","","","","","","1.1029","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200584","5.55","0.001","13.792","0.001","14.36","0.002","90","","93.41","0.01","90","","1097.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nicotinamide fumaric acid 1:1","nicotinamide fumaric acid 1:1","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","","Orola, Liana; Veidis, Mikelis V.","Nicotinamide fumaric acid supramolecular cocrystals: diversity of stoichiometry","CrystEngComm","2009","11","3","415","","10.1039/b818667g","","","1.5418","CuKα","","0.0394","0.0329","","0.0582","0.0579","0.0579","","","","","","1.0483","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200589","25.9571","0.0007","25.9571","0.0007","22.5629","0.0012","90","","90","","120","","13165.5","0.9","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C75 H66 Ag4 As4 F24 N18 O9 -","- C75 H63 Ag4 As4 F24 N18 O9 -","- C450 H378 Ag24 As24 F144 N108 O54 -","6","0.166667","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0393","0.0349","","","0.1022","0.106","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200590","26.315","0.004","26.315","0.004","22.502","0.005","90","","90","","120","","13495","4","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C432 H324 Ag24 F144 N108 O36 Sb24 -","3","0.0833333","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0481","0.0416","","","0.1115","0.1184","","","","","","1.021","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200591","25.012","0.003","6.9639","0.0008","15.0061","0.0018","90","","116.001","0.002","90","","2349.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag N7 O5 -","- C24 H18 Ag N7 O5 -","- C96 H72 Ag4 N28 O20 -","4","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0253","0.0231","","","0.0563","0.0581","","","","","","1.014","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200592","9.9336","0.0007","10.1696","0.0007","13.7544","0.0009","103.346","0.001","91.19","0.001","97.514","0.001","1338.47","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Ag B F4 N6 O3 -","- C25 H22 Ag B F4 N6 O3 -","- C50 H44 Ag2 B2 F8 N12 O6 -","2","1","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0409","0.0379","","","0.0996","0.1022","","","","","","0.962","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200593","6.2905","0.0005","22.8069","0.0019","10.1479","0.0008","90","","97.173","0.001","90","","1444.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 B2 F8 N8 S2 -","- C24 H16 Ag2 B2 F8 N8 S2 -","- C48 H32 Ag4 B4 F16 N16 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0443","0.04","","","0.1057","0.109","","","","","","1.05","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200594","6.3525","0.0006","22.701","0.002","10.3344","0.001","90","","96.948","0.002","90","","1479.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 Cl2 N8 O8 S2 -","- C24 H16 Ag2 Cl2 N8 O8 S2 -","- C48 H32 Ag4 Cl4 N16 O16 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0477","0.0401","","","0.1096","0.1163","","","","","","1.05","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200595","6.4014","0.0004","23.1239","0.0016","10.6375","0.0007","90","","96.063","0.001","90","","1565.81","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 F12 N8 P2 S2 -","- C24 H16 Ag2 F12 N8 P2 S2 -","- C48 H32 Ag4 F24 N16 P4 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0284","0.0253","","","0.0643","0.0665","","","","","","1.027","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200596","8.4118","0.001","8.6865","0.001","11.089","0.002","86.128","0.007","77.818","0.012","80.346","0.013","780.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag2 As2 F12 N8 S2 -","- C24 H16 Ag2 As2 F12 N8 S2 -","- C24 H16 Ag2 As2 F12 N8 S2 -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0346","0.0309","","","0.085","0.0872","","","","","","1.071","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200597","7.8745","0.0014","14.061","0.002","14.463","0.003","68.322","0.003","86.714","0.003","88.93","0.003","1485.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Ag4 N20 O13 S4 -","- C49 H36 Ag4 N20 O13 S4 -","- C49 H36 Ag4 N20 O13 S4 -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0621","0.0467","","","0.1293","0.1406","","","","","","1.005","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200598","7.4577","0.0008","7.5306","0.0008","12.8304","0.0013","101.086","0.002","92.947","0.002","90.682","0.002","706.01","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag F6 N8 S2 Sb -","- C24 H16 Ag F6 N8 S2 Sb -","- C24 H16 Ag F6 N8 S2 Sb -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0435","0.0405","","","0.1043","0.108","","","","","","1.076","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200599","8.414","0.003","11.946","0.004","11.997","0.004","111.512","0.005","103.439","0.005","94.999","0.005","1071.2","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cu N18 O2 S2 -","- C42 H32 Cu N18 O2 S2 -","- C42 H32 Cu N18 O2 S2 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.1487","0.0785","","","0.1746","0.2094","","","","","","1.017","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200600","8.335","0.002","12.075","0.003","12.621","0.003","69.886","0.003","78.08","0.004","70.235","0.003","1116.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cu N18 O12 -","- C40 H40 Cu N18 O12 -","- C40 H40 Cu N18 O12 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.059","0.0499","","","0.1156","0.1218","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200601","8.816","0.004","11.435","0.005","11.563","0.005","106.243","0.007","101.104","0.007","106.755","0.007","1023.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl2 Cu N16 O4 -","- C40 H36 Cl2 Cu N16 O4 -","- C40 H36 Cl2 Cu N16 O4 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.076","0.0537","","","0.1164","0.1261","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200602","8.184","0.003","12.132","0.005","12.476","0.005","111.198","0.006","93.7","0.007","102.697","0.007","1112.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd N18 O2 S2 -","- C42 H32 Cd N18 O2 S2 -","- C42 H32 Cd N18 O2 S2 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0779","0.0591","","","0.1117","0.1222","","","","","","1.012","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200603","9.915","0.002","11.385","0.003","11.494","0.003","82.08","0.003","81.354","0.003","72.722","0.003","1218.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cd N10 O S2 -","- C22 H16 Cd N10 O S2 -","- C44 H32 Cd2 N20 O2 S4 -","2","1","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0359","0.0317","","","0.0745","0.0767","","","","","","1.03","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200604","23.327","0.005","9.0863","0.0019","21.994","0.004","90","","113.821","0.003","90","","4264.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Co N18 O10 -","- C40 H36 Co N18 O10 -","- C160 H144 Co4 N72 O40 -","4","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.1062","0.0691","","","0.1305","0.1451","","","","","","1.044","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200605","9.215","0.002","10.272","0.002","12.167","0.003","91.563","0.003","104.441","0.003","90.913","0.003","1114.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 Co N16 O3 -","- C44 H40 Cl2 Co N16 O3 -","- C44 H40 Cl2 Co N16 O3 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0669","0.0519","","","0.1106","0.1186","","","","","","1.03","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200606","9.215","0.002","10.272","0.002","12.167","0.003","91.563","0.003","104.441","0.003","90.913","0.003","1114.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 Mn N16 O3 -","- C44 H40 Cl2 Mn N16 O3 -","- C44 H40 Cl2 Mn N16 O3 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0596","0.0476","","","0.1057","0.1138","","","","","","1.035","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200612","16.427","0.0017","6.1377","0.0006","19.2741","0.0019","90","","91.317","0.002","90","","1942.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-O-TOSYL 2,6-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C72 H80 O40 S4 -","4","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.0453","0.0404","","","0.1028","0.106","","","","","","1.049","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200613","6.206","0.002","14.602","0.005","42.099","0.013","90","","90","","90","","3815","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-O-TOSYL 2,4-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C144 H160 O80 S8 -","8","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.2079","0.0749","","","0.1408","0.1852","","","","","","1.001","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200614","6.2596","0.0008","9.8947","0.0012","17.022","0.002","87.723","0.002","89.46","0.002","76.195","0.002","1023","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6-O-TOSYL 4,2-DI-O-ACETYL MYO-INOSITOL ORTHOACETATE","","- C19 H22 O10 S -","- C19 H22 O10 S -","- C38 H44 O20 S2 -","2","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.0514","0.044","","","0.1136","0.1185","","","","","","1.058","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200615","9.2713","0.0011","35.728","0.004","6.1772","0.0008","90","","90.872","0.002","90","","2045.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-O-TOSYL 4,2-DI-O-ACETYL MYO-INOSITOL ORTHOACETATE","","- C19 H22 O10 S -","- C19 H22 O10 S -","- C76 H88 O40 S4 -","4","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.1404","0.0841","","","0.1332","0.1488","","","","","","1.203","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200620","18.034","0.003","14.2859","0.0009","8.9174","0.001","90","","109.46","0.005","90","","2166.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H17 Ag Cl N4 O5.5 S3 -","- C15 H12 Ag Cl N4 O5.5 S3 -","- C60 H48 Ag4 Cl4 N16 O22 S12 -","4","0.5","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0454","0.0395","","","0.1002","0.1051","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200621","26.425","0.003","27.128","0.003","10.9079","0.0014","90","","90","","90","","7819.4","1.6","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C224 H192 Ag16 Cl16 N64 O64 S48 -","8","1","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0488","0.0457","","","0.1278","0.1321","","","","","","1.061","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200627","8.7114","0.0012","13.7087","0.0018","11.8156","0.0016","90","","93.082","0.002","90","","1409","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cd3 Cl3 N9 -","- C6 H6 Cd3 Cl3 N9 -","- C24 H24 Cd12 Cl12 N36 -","4","0.5","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0412","0.038","","","0.0941","0.0962","","","","","","1.073","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200628","18.5954","0.0008","18.5954","0.0008","18.5954","0.0008","90","","90","","90","","6430.1","0.5","291","2","291","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H24 Cd3 N18 O6 -","- C12 H12 Cd3 N18 O6 -","- C96 H96 Cd24 N144 O48 -","8","0.0416667","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.049","0.0363","","","0.0628","0.0649","","","","","","1.326","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200629","17.54","0.004","18.008","0.004","11.256","0.003","90","","90","","90","","3555.3","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cu6 I3 N9 -","- C6 H6 Cu6 I3 N9 -","- C48 H48 Cu48 I24 N72 -","8","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0851","0.0589","","","0.1096","0.1185","","","","","","1.056","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200630","12.4","0.003","7.8407","0.0019","8.385","0.002","90","","108.177","0.004","90","","774.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetrabromoplumbate(ii)","bis(cyclopropylammonium)tetrabromoplumbate(II)","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C12 H32 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0572","0.045","","","0.1128","0.1206","","","","","","1.045","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200631","13.278","0.003","7.9463","0.0018","8.4703","0.0019","90","","108.43","0.004","90","","847.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetrabromoplumbate(ii)","bis(cyclobutylammonium)tetrabromoplumbate(II)","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C16 H40 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.06","0.0374","","","0.082","0.0875","","","","","","0.964","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200632","13.429","0.003","7.9862","0.0019","8.8","0.002","90","","106.163","0.004","90","","906.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopentylammonium)tetrabromoplumbate(ii)","bis(cyclopentylammonium)tetrabromoplumbate(II)","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C20 H48 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0459","0.0409","","","0.1109","0.1146","","","","","","1.07","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200633","27.788","0.005","8.6541","0.0014","8.2367","0.0013","90","","90","","90","","1980.8","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(cyclohexylammonium)tetrabromoplumbate(ii)","bis(cyclohexylammonium)tetrabromoplumbate(II)","","- C12 H28 Br4 N2 Pb -","- C12 H28 Br4 N2 Pb -","- C48 H112 Br16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.041","0.036","","","0.0892","0.0922","","","","","","1.028","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200634","8.0888","0.0004","27.1707","0.0015","28.9932","0.0016","90","","90","","90","","6372.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tris(cycloheptylammonium)pentabromoplumbate(ii)","tris(cycloheptylammonium)pentabromoplumbate(II)","","- C21 H50 Br5 N3 O Pb -","- C21 H50 Br5 N3 O Pb -","- C168 H400 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1636","0.1401","","","0.2619","0.27","","","","","","1.332","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200635","11.7861","0.0011","16.0354","0.0016","31.135","0.003","92.891","0.004","96.42","0.004","100.267","0.004","5738.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","dekakis(cyclooctylammonium)octadecabromotetraplumbate(ii)","dekakis(cyclooctylammonium)octadecabromotetraplumbate(II)","","- C80 H180 Br18 N10 Pb4 -","- C80 H180 Br18 N10 Pb4 -","- C160 H360 Br36 N20 Pb8 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1058","0.0539","","","0.123","0.1393","","","","","","0.999","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200636","12.187","0.005","7.508","0.003","8.054","0.003","90","","109.141","0.006","90","","696.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetrachloroplumbate(ii)","bis(cyclopropylammonium)tetrachloroplumbate(II)","","- C6 H16 Cl4 N2 Pb -","- C6 H16 Cl4 N2 Pb -","- C12 H32 Cl8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.0308","","","0.0881","0.0914","","","","","","1.132","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200637","13.219","0.005","7.618","0.003","8.093","0.003","90","","106.828","0.007","90","","780.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetrachloroplumbate(ii)","bis(cyclobutylammonium)tetrachloroplumbate(II)","","- C8 H20 Cl4 N2 Pb -","- C8 H20 Cl4 N2 Pb -","- C16 H40 Cl8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0817","0.0771","","","0.1927","0.1942","","","","","","1.491","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200638","25.842","0.001","8.5174","0.0003","7.6956","0.0003","90","","90","","90","","1693.85","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(cyclopentylammonium)tetrachloroplumbate(ii)","bis(cyclopentylammonium)tetrachloroplumbate(II)","","- C10 H24 Cl4 N2 Pb -","- C10 H24 Cl4 N2 Pb -","- C40 H96 Cl16 N8 Pb4 -","4","","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0522","0.0411","","","0.1052","0.1127","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200639","11.4446","0.0011","28.306","0.003","11.5206","0.001","90","","90.031","0.006","90","","3732.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(cyclohexylammonium)tetrachloroplumbate(ii)","bis(cyclohexylammonium)tetrachloroplumbate(II)","","- C24 H56 Cl8 N4 Pb2 -","- C24 H56 Cl8 N4 Pb2 -","- C96 H224 Cl32 N16 Pb8 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.032","","","0.0747","0.0767","","","","","","1.153","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200640","12.7667","0.0015","46.043","0.005","14.9592","0.0015","90","","94.385","0.005","90","","8767.5","1.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumba te(ii) dihydrate","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumbate(II) dihydrate","","- C119 H276 Cl31 N17 O2 Pb7 -","- C119 H276 Cl31 N17 O2 Pb7 -","- C238 H552 Cl62 N34 O4 Pb14 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0684","0.0457","","","0.0983","0.1069","","","","","","0.933","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200641","17.365","0.003","19.016","0.004","19.357","0.004","63.476","0.003","70.493","0.004","88.146","0.004","5339","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","octadecakis(cyclooctylammonium)tetracontachloroundecaplumbate( ii)","octadecakis(cyclooctylammonium)tetracontachloroundecaplumbate(II)","","- C144 H324 Cl40 N18 Pb11 -","- C144 H324 Cl40 N18 Pb11 -","- C144 H324 Cl40 N18 Pb11 -","1","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0906","0.0581","","","0.1429","0.1669","","","","","","1.034","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200644","6.9007","0.0001","7.4722","0.0001","8.2521","0.0002","90.227","0.001","108.67","0.001","93.332","0.001","402.319","0.013","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","1","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0503","0.0374","","","0.1172","0.1228","","","","","","1.064","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200645","10.3976","0.0011","14.2349","0.0017","17.49","0.002","75.88","0.003","74.787","0.003","84.955","0.004","2421.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H25 Mg7.5 O40 -","- C40 H25 Mg7.5 O40 -","- C80 H50 Mg15 O80 -","2","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.2205","0.1443","","","0.3676","0.4162","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200646","5.9502","0.0002","7.4323","0.0002","8.9898","0.0003","104.787","0.002","106.197","0.002","97.59","0.002","360.18","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","1","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0394","0.0332","","","0.1034","0.1068","","","","","","1.006","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200647","5.0655","0.0002","14.4318","0.0005","11.3303","0.0004","90","","99.255","0.002","90","","817.51","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Mg2 O16 -","- C10 H18 Mg2 O16 -","- C20 H36 Mg4 O32 -","2","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0795","0.0447","","","0.0979","0.1396","","","","","","0.98","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200648","11.382","0.003","11.755","0.002","12.48","0.003","90.289","0.016","107.61","0.02","105.634","0.019","1525.8","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Cd2 Cl6 I4 N8 O8 -","- C54 H34 Cd2 Cl6 I4 N8 O8 -","- C54 H34 Cd2 Cl6 I4 N8 O8 -","1","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.0865","0.0501","","","0.1448","0.1774","","","","","","1.032","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200649","23.9714","0.0012","5.1891","0.0002","19.0506","0.0008","90","","106.86","0.003","90","","2267.85","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Hg N4 O4 -","- C26 H16 Cl2 Hg N4 O4 -","- C104 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.1078","0.0972","","","0.2304","0.2393","","","","","","1.048","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200650","13.3355","0.0017","19.351","0.003","8.9028","0.0012","90","","102.693","0.003","90","","2241.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N10 O8 S2 Zn -","- C54 H32 N10 O8 S2 Zn -","- C108 H64 N20 O16 S4 Zn2 -","2","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.074","0.0467","","","0.1324","0.1548","","","","","","1.041","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200651","9.1325","0.0012","9.181","0.0012","13.3784","0.0017","84.447","0.002","83.507","0.002","86.195","0.002","1107.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Cd N10 O14 -","- C52 H32 Cd N10 O14 -","- C52 H32 Cd N10 O14 -","1","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.0457","0.0378","","","0.0999","0.1056","","","","","","1.087","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200652","17.462","","14.342","","15.258","","90","","99.41","","90","","3769.79","","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Co N8 O13 -","- C41 H24 Co N8 O13 -","- C164 H96 Co4 N32 O52 -","4","1","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.1026","0.0631","","","0.1676","0.1961","","","","","","1.024","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200653","8.1802","0.0009","21.293","0.002","15.2116","0.0014","90","","121.357","0.004","90","","2262.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","1","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0463","0.0392","","","0.0969","0.1015","","","","","","1.017","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200654","12.6267","0.001","12.6267","0.001","14.244","0.002","90","","90","","90","","2271","0.4","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0789","0.0782","","","0.2459","0.2472","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200655","11.641","0.001","11.641","0.001","18.756","0.002","90","","90","","120","","2201.2","0.4","298","2","298","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Co N6 O16 -","- C18 H34 Co N6 O16 -","- C54 H102 Co3 N18 O48 -","3","0.25","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0468","0.0326","","","0.0714","0.0771","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200656","11.453","0.002","11.453","0.002","36.912","0.004","90","","90","","120","","4193.1","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 N6 Ni O16 -","- C18 H34 N6 Ni O16 -","- C108 H204 N36 Ni6 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0773","0.0512","","","0.115","0.1284","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200657","11.467","0.002","11.467","0.002","36.974","0.003","90","","90","","120","","4210.4","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Cu N6 O16 -","- C18 H34 Cu N6 O16 -","- C108 H204 Cu6 N36 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0734","0.0532","","","0.1324","0.1448","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200658","16.6814","0.001","16.6814","0.001","17.4944","0.0015","90","","90","","90","","4868.2","0.6","120","2","120","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C48 H30 N4 O11 Zn3 -","- C48 H30 N4 O11 Zn3 -","- C96 H60 N8 O22 Zn6 -","2","0.0625","","Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung","Highly tunable metal‒organic frameworks with open metal centers","CrystEngComm","2009","11","4","553","","10.1039/b819707p","","","0.71073","MoKα","","0.065","0.0629","","","0.1713","0.1743","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200659","16.694","0.001","16.694","0.001","18.5799","0.0015","90","","90","","90","","5178","0.6","296","2","296","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C48 H30 N4 O11 Zn3 -","- C52 H34 N4 O11 Zn3 -","- C104 H68 N8 O22 Zn6 -","2","0.0625","","Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung","Highly tunable metal‒organic frameworks with open metal centers","CrystEngComm","2009","11","4","553","","10.1039/b819707p","","","0.71073","MoKα","","0.0647","0.0481","","","0.1283","0.1373","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200660","9.4617","0.0007","10.3642","0.0008","19.7932","0.0015","91.369","0.002","94.833","0.001","101.759","0.002","1891.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1154","0.0608","","","0.1377","0.1638","","","","","","1.069","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200661","9.1569","0.0007","10.3223","0.0009","11.04","0.0009","69.817","0.001","74.207","0.002","64.677","0.001","875.72","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1637","0.0897","","","0.2391","0.32","","","","","","1.044","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200662","9.5545","0.0002","10.204","0.0002","36.9589","0.0007","90","","90","","90","","3603.28","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.0955","0.0578","","","0.1219","0.1459","","","","","","1.037","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200663","16.249","0.006","16.249","0.006","22.54","0.01","90","","90","","90","","5951","4","173","2","173","2","","","","","","","","3","P 41","P 4w","76","","","","- C68 H66 O17 -","- C68 H66 O17 -","- C272 H264 O68 -","4","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1952","0.1143","","","0.2863","0.3441","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200664","16.389","0.0003","16.389","0.0003","11.3011","0.0003","90","","90","","90","","3035.47","0.11","298","2","298","2","","","","","","","","3","I 4","I 4","79","","","","- C68 H64 O17 -","- C68 H56 O17 -","- C136 H112 O34 -","2","0.25","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1193","0.0525","","","0.1363","0.1693","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200665","9.8996","0.0002","20.2275","0.0003","13.481","0.0002","90","","110.247","0.001","90","","2532.69","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O6 Zn -","- C26 H20 N6 O6 Zn -","- C104 H80 N24 O24 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0614","0.0471","","","0.133","0.1437","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200666","10.5099","0.0001","7.3428","0.0001","20.1198","0.0003","90","","102.887","0.001","90","","1513.58","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O6 Zn -","- C14 H13 N3 O6 Zn -","- C56 H52 N12 O24 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0347","0.0303","","","0.0803","0.0831","","","","","","1.048","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200667","12.917","0.0008","7.3303","0.0005","20.6012","0.0013","90","","98.3","0.001","90","","1930.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N3 O8 S Zn -","- C15 H16 Cl N3 O8 S Zn -","- C60 H64 Cl4 N12 O32 S4 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0529","0.0422","","","0.1127","0.1205","","","","","","1.044","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200668","3.9045","0.001","15.876","0.004","19.915","0.005","90","","100.596","0.006","90","","1213.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Br8 Cu8 N8 -","- C40 H32 Br8 Cu8 N8 -","- C40 H32 Br8 Cu8 N8 -","1","0.25","","Liu, Zhi-Fang; Zhu, Ai-Xin; Lam, Chi-Keung; Xie, Guang-Wei; Liang, Chao-Lun; Chen, Xiao-Ming; Qiao, Zheng-Ping","Oriented growth of a single crystalline Cu(111) flake synthesized by pyrolysis of coordination polymer [(CuBr)2(bpy)]n (bpy = 2,2′-bipyridine)","CrystEngComm","2009","11","7","1303","","10.1039/b819813f","","","0.71073","MoKα","","0.0583","0.0371","","","0.1053","0.1289","","","","","","0.826","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200669","7.3916","0.0002","28.455","0.001","12.1415","0.0003","90","","93.905","0.002","90","","2547.77","0.13","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br Cl3 N3 O4 -","- C21 H25 Br Cl3 N3 O4 -","- C84 H100 Br4 Cl12 N12 O16 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.064","0.0289","","0.0636","0.0311","0.0311","","","","","","1.0614","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200670","16.8561","0.0004","53.1999","0.0016","15.49","0.0005","90","","90","","90","","13890.5","0.7","223","","223","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 Br2 Cl3 N3 O3 -","- C36 H28 Br2 Cl3 N3 O3 -","- C576 H448 Br32 Cl48 N48 O48 -","16","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0428","0.0324","","0.0308","0.0278","0.0267","","","","","","1.0671","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200671","9.8089","0.0004","11.1946","0.0004","14.5862","0.0006","71.544","0.002","88.809","0.002","80.093","0.002","1495.66","0.1","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N5 O3 -","- C37 H27 N5 O3 -","- C74 H54 N10 O6 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0597","0.0418","","0.069","0.0495","0.0495","","","","","","1.0914","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200672","5.768","0.001","6.078","0.001","8.08","0.002","90","","107.01","0.03","90","","270.88","0.1","296","2","296","2","1030000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-dibromo-1,1,2,2-tetrafluoroethane","1,2-dibromo-1,1,2,2-tetrafluoroethane","","- C2 Br2 F4 -","- C2 Br2 F4 -","- C4 Br4 F8 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0564","0.0495","","","0.1138","0.118","","","","","","1.139","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200673","6.1357","0.0012","6.1449","0.0012","8.3967","0.0017","90","","108.3","0.03","90","","300.57","0.12","296","2","296","2","600000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.124","0.1166","","","0.267","0.2734","","","","","","1.082","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200674","5.9698","0.0012","6.1503","0.0012","8.236","0.0016","90","","108.58","0.03","90","","286.63","0.11","296","2","296","2","1100000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0722","0.0618","","","0.1153","0.1234","","","","","","1.192","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200675","5.7683","0.0012","6.0823","0.0012","8.0112","0.0016","90","","109.92","0.03","90","","264.25","0.11","296","2","296","2","3500000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0692","0.0596","","","0.1762","0.1991","","","","","","1.171","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200676","6.563","0.002","6.293","0.004","8.935","0.006","90","","106.47","0.05","90","","353.9","0.4","296","2","296","2","160000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-diiodo-1,1,2,2-tetrafluoroethane","1,2-diiodo-1,1,2,2-tetrafluoroethane","","- C2 F4 I2 -","- C1.98 F3.96 I2 -","- C3.96 F7.92 I4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0844","0.0569","","","0.1304","0.1446","","","","","","1.238","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200677","6.4133","0.0013","5.935","0.0012","8.4792","0.0017","90","","103.68","0.03","90","","313.59","0.12","296","2","296","2","860000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-diiodo-1,1,2,2-tetrafluoroethane","1,2-diiodo-1,1,2,2-tetrafluoroethane","","- C2 F4 I2 -","- C2 F4 I2 -","- C4 F8 I4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.1335","0.1302","","","0.3029","0.3107","","","","","","1.429","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200678","12.9207","0.0003","12.9207","0.0003","19.932","0.001","90","","90","","120","","2881.73","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Cl2 Cu N8 O6 -","- C40 H40 Cl2 Cu N8 O6 -","- C120 H120 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0403","0.0332","","","0.0787","0.0817","","","","","","1.042","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200679","13.266","0.004","13.266","0.004","5.3885","0.0017","90","","90","","90","","948.3","0.5","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C28 H28 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","1","0.25","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0896","0.0869","","","0.231","0.2339","","","","","","1.104","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200680","14.1105","0.0008","18.4033","0.001","21.9209","0.0013","90","","100.058","0.001","90","","5604.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","1","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0872","0.0619","","","0.1234","0.1289","","","","","","1.052","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200681","11.1759","0.0007","8.5562","0.0005","23.4528","0.0014","90","","90","","90","","2242.6","0.2","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H64 Cl8 Cu4 N12 O10 -","- C22 H64 Cl8 Cu4 N12 O10 -","- C44 H128 Cl16 Cu8 N24 O20 -","2","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0518","0.0423","","","0.1072","0.1104","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200682","6.8456","0.0006","12.0195","0.0011","14.695","0.0014","90","","98.473","0.002","90","","1195.92","0.19","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl2 Cu N3 O4 -","- C6 H16 Cl2 Cu N3 O4 -","- C24 H64 Cl8 Cu4 N12 O16 -","4","1","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0405","0.0336","","","0.0843","0.0878","","","","","","1.081","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200683","7.145","0.0014","13.486","0.003","14.077","0.003","90","","98.77","0.02","90","","1340.6","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Cl2 Cu N3 O4 -","- C7 H18 Cl2 Cu N3 O4 -","- C28 H72 Cl8 Cu4 N12 O16 -","4","1","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.09","0.0569","","","0.0943","0.0976","","","","","","1.086","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200691","6.491","0.002","9.599","0.003","19.397","0.006","90","","96.001","0.005","90","","1201.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Manganese Carboxylate","","","- C12 H10 Mn N2 O7 -","- C12 H10 Mn N2 O7 -","- C48 H40 Mn4 N8 O28 -","4","1","","Mahata, Partha; Natarajan, Srinivasan","The first observation of a Na2TiS2 related structure in a 2-D anionic manganese trimesate intercalated by cationic imidazole,","CrystEngComm","2009","11","4","560","","10.1039/b820248f","","","0.71073","MoKα","","0.0302","0.0274","","","0.0745","0.0763","","","","","","1.094","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200692","15.8892","0.0004","12.0225","0.0004","13.5325","0.0004","90","","90.711","0.002","90","","2584.89","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B2 F8 N6 Se3 -","- C20 H18 B2 F8 N6 Se3 -","- C80 H72 B8 F32 N24 Se12 -","4","0.5","","Berionni, Guillaume; Pégot, Bruce; Marrot, Jérome; Goumont, Régis","Supramolecular association of 1,2,5-chalcogenadiazoles: an unexpected self-assembled dissymetric [Se⋯N]2 four-membered ring","CrystEngComm","2009","11","6","986","","10.1039/b820258c","","","0.71073","MoKα","","0.0655","0.0464","","","0.1501","0.1698","","","","","","1.05","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200693","21.7005","0.0009","22.9409","0.0009","24.4777","0.0009","90","","114.103","0.001","90","","11123.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Dy4 Ge2 H84 Na12 O118 W20 -","- Dy4 Ge2 Na11.5 O105.75 W20 -","- Dy16 Ge8 Na46 O423 W80 -","4","1","","Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan","New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion","CrystEngComm","2009","11","8","1512","","10.1039/b820269a","","","0.71073","MoKα","","0.0954","0.0524","","","0.1268","0.1568","","","","","","1.011","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200694","21.6734","0.0009","22.902","0.001","24.3891","0.0011","90","","114.226","0.001","90","","11039.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Er4 Ge2 H70 Na12 O111 W20 -","- Er4 Ge2 Na12 O101 W20 -","- Er16 Ge8 Na48 O404 W80 -","4","1","","Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan","New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion","CrystEngComm","2009","11","8","1512","","10.1039/b820269a","","","0.71073","MoKα","","0.0826","0.0482","","","0.1174","0.1338","","","","","","1.047","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200698","14.647","0.0004","29.317","0.0009","16.7807","0.0005","90","","102.287","0.001","90","","7040.7","0.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl2 Co2 Cu9 I11 N8 O -","- C48 H32 Cl2 Co2 Cu9 I11 N8 O -","- C192 H128 Cl8 Co8 Cu36 I44 N32 O4 -","4","1","","Li, Qiuyan; Fu, Yunlong","A layered iodocuprate based on a 3D cationic supramolecular network of dimeric Co(ii) complexes by offset face-to-face interactions","CrystEngComm","2009","11","8","1515","","10.1039/b820391a","","","0.71073","MoKα","","0.0911","0.0646","","","0.1862","0.2098","","","","","","1.011","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200699","7.9666","0.0016","4.8702","0.001","21.351","0.004","90","","90","","90","","828.4","0.3","180","0.1","295","2","","","100","","","","","4","P n a 21","P 2c -2n","33","chloroiodomethane","chloroiodomethane","","- C H2 Cl I -","- C H2 Cl I -","- C8 H16 Cl8 I8 -","8","2","","Podsiadło, Marcin; Katrusiak, Andrzej","Electrostatic matching in phase IV of chloroiodomethane: a new aggregation pattern in the isostructural classes of dihalomethanes","CrystEngComm","2009","11","7","1391","","10.1039/b820422e","","","0.71073","MoKα","","0.0597","0.0544","","","0.1431","0.153","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200700","22.911","0.011","3.9313","0.0015","18.607","0.009","90","","119.067","0.01","90","","1464.9","1.2","293","2","293","2","","","","","","","Synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","0.5","","Avendaño, Carlos; Briceño, Alexander","Concomitant [2 + 2] cycloaddition solid state reactions from co-crystals self-assembled via mechanochemistry","CrystEngComm","2009","11","3","408","","10.1039/b820463b","","","0.71073","MoKα","","0.0888","0.0547","","","0.1326","0.1566","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200701","19.841","0.008","11.394","0.005","14.637","0.006","90","","93.423","0.013","90","","3303","2","293","2","293","2","","","","","","","Synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","","Avendaño, Carlos; Briceño, Alexander","Concomitant [2 + 2] cycloaddition solid state reactions from co-crystals self-assembled via mechanochemistry","CrystEngComm","2009","11","3","408","","10.1039/b820463b","","","0.71073","MoKα","","0.1225","0.0748","","","0.1954","0.2293","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200702","8.0814","0.0008","10.568","0.0008","28.972","0.003","90","","104.325","0.003","90","","2397.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N O6 Zn -","- C27 H20 N O6 Zn -","- C108 H80 N4 O24 Zn4 -","4","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.0724","0.0558","","","0.1175","0.1274","","","","","","1.048","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200703","13.027","0.004","14.108","0.004","15.051","0.005","71.014","0.014","72.299","0.013","71.348","0.015","2415.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 N2 O12 Zn2 -","- C54 H40 N2 O12 Zn2 -","- C108 H80 N4 O24 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.154","0.0759","","","0.1558","0.2025","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200704","9.6482","0.0013","20.919","0.003","24.637","0.004","93.772","0.008","94.669","0.006","96.706","0.004","4907.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H93 N4 O24 Zn4 -","- C114 H92 N4 O24 Zn4 -","- C228 H184 N8 O48 Zn8 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.076","0.0549","","","0.1467","0.1738","","","","","","1.019","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200705","12.9497","0.0008","41.02","0.003","8.8874","0.0005","90","","90","","90","","4721","0.5","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C39 H48 Cl4 N12 O4 Zn2 -","- C39 H47 Cl4 N12 O4 Zn2 -","- C156 H188 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0891","0.0475","","","0.0968","0.1129","","","","","","1.011","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200706","12.965","0.003","40.535","0.008","8.8052","0.0018","90","","90","","90","","4627.5","1.7","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H50 Cl4 N12 O4 Zn2 -","- C40 H50 Cl4 N12 O4 Zn2 -","- C160 H200 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.1439","0.0525","","","0.1111","0.1485","","","","","","0.739","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200707","10.734","0.0011","14.3446","0.0011","13.728","0.0012","90","","104.839","0.002","90","","2043.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl2 N6 O2 Zn -","- C16 H20 Cl2 N6 O2 Zn -","- C64 H80 Cl8 N24 O8 Zn4 -","4","0.5","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0393","0.0301","","","0.0745","0.0782","","","","","","1.059","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200708","8.0552","0.0016","25.966","0.005","9.888","0.002","90","","107.59","0.03","90","","1971.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 Ni O10 -","- C20 H14 N4 Ni O10 -","- C80 H56 N16 Ni4 O40 -","4","1","","Zhao, Li-Hua; Quan, Ying-Ping; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Syntheses and crystal structures of two new nickel(II) complexes with pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2009","11","7","1427","","10.1039/b820663e","","","0.71073","MoKα","","0.0865","0.0614","","","0.1173","0.1292","","","","","","1.085","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200709","12.833","0.003","14.547","0.003","15.272","0.003","66.4","0.03","65.24","0.03","86.54","0.03","2352.6","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N8 Ni O18.5 -","- C44 H40 N8 Ni O18.5 -","- C88 H80 N16 Ni2 O37 -","2","1","","Zhao, Li-Hua; Quan, Ying-Ping; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Syntheses and crystal structures of two new nickel(II) complexes with pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2009","11","7","1427","","10.1039/b820663e","","","0.71073","MoKα","","0.0926","0.0663","","","0.167","0.1787","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200710","9.678","0.0012","11.9246","0.0016","22.738","0.003","90","","95.508","0.004","90","","2612","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cu N2 O12.5 Zn -","- C26 H20 Cu N2 O12.5 Zn -","- C104 H80 Cu4 N8 O50 Zn4 -","4","1","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.1284","0.0518","","","0.0998","0.1161","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200711","10.871","0.004","16.511","0.006","11.097","0.004","90","","114.311","0.009","90","","1815.2","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu2 N4 O16 Zn2 -","- C38 H28 Cu2 N4 O16 Zn2 -","- C76 H56 Cu4 N8 O32 Zn4 -","2","0.5","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.282","0.0689","","","0.1288","0.1747","","","","","","0.722","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200712","14.7793","0.001","12.1709","0.0008","17.6764","0.0012","90","","97.351","0.002","90","","3153.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cu2 N4 O10 Zn -","- C36 H24 Cu2 N4 O10 Zn -","- C144 H96 Cu8 N16 O40 Zn4 -","4","1","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.0816","0.0554","","","0.1159","0.1293","","","","","","1.072","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200714","7.936","0.0004","9.834","0.0005","10.916","0.0005","93.07","0.0012","106.78","0.0013","113.561","0.0013","733.66","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal","CrystEngComm","2009","11","6","1001","","10.1039/b820732a","","","0.71073","MoKα","","0.1338","0.0672","","0.0346","0.0214","0.0214","","","","","","1.1864","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200715","7.7682","0.0004","9.7938","0.0005","11.0478","0.0005","94.4493","0.0012","104.851","0.0013","111.495","0.0013","742.07","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal","CrystEngComm","2009","11","6","1001","","10.1039/b820732a","","","0.71073","MoKα","","0.0542","0.0528","","0.0574","0.0561","0.0561","","","","","","0.8852","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200716","7.1436","0.0006","9.8322","0.0007","15.3213","0.0013","91.708","0.01","100.589","0.01","111.088","0.009","981.55","0.16","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br2 N4 O4 -","- C16 H24 Br2 N4 O4 -","- C32 H48 Br4 N8 O8 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.042","","","","0.041","","","","","","1.7","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200717","11.6585","0.0006","18.4728","0.0014","7.1778","0.0004","90","","99.243","0.006","90","","1525.78","0.17","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 I2 N4 O4 -","- C24 H40 I2 N4 O4 -","- C48 H80 I4 N8 O8 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.32","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200718","7.2622","0.0005","8.5933","0.0006","17.3746","0.0013","91.974","0.009","98.439","0.009","106.408","0.008","1025.57","0.14","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N4 O9 S -","- C16 H26 N4 O9 S -","- C32 H52 N8 O18 S2 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.038","","","","0.038","","","","","","1.33","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200719","5.3122","0.0002","8.5766","0.0005","23.1952","0.0011","90","","91.98","0.006","90","","1056.16","0.09","200","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Au2 N8 -","- C20 H16 Au2 N8 -","- C40 H32 Au4 N16 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.44","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200720","7.0599","0.0011","8.7225","0.0014","8.8705","0.0015","68.766","0.018","78.791","0.019","69.544","0.018","475.61","0.15","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","1","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.032","","","","0.041","","","","","","1.25","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200721","11.1842","0.0005","14.3697","0.0009","17.6521","0.0008","90","","96.482","0.005","90","","2818.8","0.3","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 Co N4 O2 -","- C22 H31 Cl4 Co N4 O2 -","- C88 H124 Cl16 Co4 N16 O8 -","4","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.032","","","","0.033","","","","","","1.22","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200722","11.3088","0.0009","14.4566","0.0012","13.4445","0.0012","90","","109.661","0.009","90","","2069.9","0.3","200","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cl2 N4 O2 -","- C19 H26 Cl2 N4 O2 -","- C76 H104 Cl8 N16 O8 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.029","","","","0.029","","","","","","1.07","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200723","6.9279","0.0004","17.4853","0.0012","16.1931","0.0011","90","","90","","90","","1961.6","0.2","200","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 N4 -","- C20 H24 Cl2 N4 -","- C80 H96 Cl8 N16 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.029","","","","","","1.3","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200724","12.5425","0.001","12.2044","0.0007","13.7212","0.001","90","","106.133","0.009","90","","2017.6","0.3","200","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O5 S -","- C20 H26 N4 O5 S -","- C80 H104 N16 O20 S4 -","4","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.24","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200725","9.2924","0.0008","10.5151","0.0006","14.2154","0.0013","90","","98.103","0.01","90","","1375.13","0.19","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 N4 O3 -","- C25 H36 Cl2 N4 O3 -","- C50 H72 Cl4 N8 O6 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.51","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200726","8.7775","0.0006","9.8459","0.0007","16.5945","0.0012","101.171","0.008","92.926","0.008","112.318","0.008","1289.24","0.19","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl4 Co N4 O -","- C22 H30 Cl4 Co N4 O -","- C44 H60 Cl8 Co2 N8 O2 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.027","","","","0.027","","","","","","1.3","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200727","4.943","0.002","5.902","0.002","30.706","0.012","90","","90.88","0.01","90","","895.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 O2 -","- C11 H4 F4 O2 -","- C44 H16 F16 O8 -","4","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0794","0.0432","","","0.0836","0.094","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200728","5.053","0.002","5.884","0.002","31.085","0.012","90","","92.83","0.01","90","","923.1","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 O2 -","- C11 H4 F4 O2 -","- C44 H16 F16 O8 -","4","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0616","0.0368","","","0.0914","0.1014","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200729","4.9553","0.001","7.3353","0.0015","13.504","0.003","96.42","0.01","97.36","0.01","100.81","0.01","473.5","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C22 H10 F8 N2 O2 -","2","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0561","0.0379","","","0.097","0.1093","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200730","4.9386","0.0014","7.25","0.002","13.21","0.004","97.63","0.01","96.44","0.01","100.47","0.01","456.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C22 H10 F8 N2 O2 -","2","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0722","0.0489","","","0.125","0.1422","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200731","22.6828","0.001","7.4054","0.0006","10.1719","0.0008","90","","90","","90","","1708.6","0.2","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H42 Cu3 N2 O23 -","- C24 H42 Cu3 N2 O23 -","- C48 H84 Cu6 N4 O46 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0339","0.0315","","","0.0763","0.0778","","","","","","1.009","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200732","14.3062","0.0013","7.3389","0.0007","14.963","0.0014","90","","102.636","0.007","90","","1532.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu N2 O18 -","- C26 H40 Cu N2 O18 -","- C52 H80 Cu2 N4 O36 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0462","0.0409","","","0.1103","0.1136","","","","","","1.047","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200733","12.8207","0.0012","13.1305","0.0014","17.407","0.002","108.61","0.007","98.928","0.007","109.55","0.006","2501.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Bi2 H62 Na5 O107 Pd4.5 W22 -","- Bi2 Na1.7 O104.6 Pd4.5 W22 -","- Bi2 Na1.7 O104.6 Pd4.5 W22 -","1","0.5","","Bi, Li-Hua; Dickman, Michael H.; Kortz, Ulrich","The palladium(II)-decorated 22-tungsto-2-bismuthate(III), [Pd3(H2O)9Bi2W22O76]8−","CrystEngComm","2009","11","6","965","","10.1039/b820888c","","","0.71073","MoKα","","0.0817","0.0491","","","0.1216","0.1409","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200734","8.999","0.005","8.614","0.005","22.506","0.013","90","","90","","90","","1744.6","1.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Co O6 P -","- C7 H7 Co O6 P -","- C56 H56 Co8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0716","0.059","","","0.1329","0.141","","","","","","1.056","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200735","9.19","0.002","8.684","0.002","22.67","0.006","90","","90","","90","","1809.2","0.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Mn O6 P -","- C7 H7 Mn O6 P -","- C56 H56 Mn8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0621","0.0404","","","0.0835","0.0895","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200736","8.95","0.003","8.558","0.003","22.461","0.007","90","","90","","90","","1720.4","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Ni O6 P -","- C7 H7 Ni O6 P -","- C56 H56 Ni8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0531","0.0446","","","0.1198","0.1259","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200737","10.346","0.001","8.119","0.001","17.883","0.002","90","","90","","90","","1502.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-diflourophenylthioamide","2,6-diflourophenylthioamide","","- C7 H5 F2 N S -","- C7 H5 F2 N S -","- C56 H40 F16 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0939","0.042","","","0.1012","0.1282","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200738","7.873","0.002","15.643","0.004","7.991","0.002","90","","117.336","0.005","90","","874.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorophenylthioamide","2,6-dichlorophenylthioamide","","- C7 H5 Cl2 N S -","- C7 H5 Cl2 N S -","- C28 H20 Cl8 N4 S4 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0501","0.0297","","","0.0666","0.0734","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200739","7.9801","0.0005","8.0314","0.0005","14.5984","0.0009","90","","99.884","0.004","90","","921.74","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dibromophenylthioamide","2,6-dibromophenylthioamide","","- C7 H5 Br2 N S -","- C7 H5 Br2 N S -","- C28 H20 Br8 N4 S4 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0663","0.0458","","","0.1241","0.1334","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200740","14.555","0.002","8.0597","0.0013","16.133","0.003","90","","101.422","0.004","90","","1855.1","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-dimethylphenylthioamide","2,6-dimethylphenylthioamide","","- C9 H11 N S -","- C9 H11 N S -","- C72 H88 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.1057","0.0462","","","0.0989","0.1178","","","","","","0.981","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200741","14.367","0.001","8.022","0.001","16.068","0.001","90","","100.92","0.001","90","","1818.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-chloro-6-methylphenylthioamide","2-chloro-6-methylphenylthioamide","","- C8 H8 Cl N S -","- C8 H8 Cl N S -","- C64 H64 Cl8 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0586","0.0474","","","0.1262","0.1349","","","","","","1.043","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200742","17.5429","0.0004","4.0659","0.0001","25.032","0.0005","90","","92.016","0.001","90","","1784.37","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Per2(Co(mnt)2)","Per2[Co(mnt)2]","","- C48 H24 Co N4 S4 -","- C48 H24 Co N4 S4 -","- C96 H48 Co2 N8 S8 -","2","0.5","","Almeida, Manuel; Gama, Vasco; Santos, Isabel C.; Graf, David; Brooks, James S.","Counterion dimerisation effects in the two-chain compound (Per)2[Co(mnt)2]: structure and anomalous pressure dependence of the electrical transport properties","CrystEngComm","2009","11","6","1103","","10.1039/b820995m","","","0.71073","MoKα","","0.0765","0.044","","","0.0799","0.0855","","","","","","0.822","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200743","9.3968","0.0002","7.0725","0.0001","15.8292","0.0003","90","","94.377","0.001","90","","1048.92","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 Cs O6 -","- C6 H5 Cl2 Cs O6 -","- C24 H20 Cl8 Cs4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","0.71073","MoKα","","","0.0235","","","","0.0568","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200744","10.0492","0.0008","15.2833","0.0014","6.4546","0.0011","90","","99.156","0.009","90","","978.7","0.2","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0418","","","","0.1144","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200745","13.72","0.02","4.975","0.002","14.7","0.011","90","","90","","90","","1003.4","1.7","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl2 Li O5 -","- C8 H7 Cl2 Li O5 -","- C32 H28 Cl8 Li4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0432","","","","0.1336","","","","","","1.078","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200746","9.5958","0.0006","16.1908","0.0014","6.6678","0.0009","90","","98","0.009","90","","1025.85","0.18","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9 Cl2 N O6 -","- C6 H9 Cl2 N O6 -","- C24 H36 Cl8 N4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0319","","","","0.0893","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200747","10.8727","0.0001","12.9973","0.0001","13.3899","0.0002","67.094","0.001","66.528","0.001","74.359","0.001","1584","0.03","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Cl6 Na5 O22 -","- C18 H21 Cl6 Na5 O22 -","- C36 H42 Cl12 Na10 O44 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0796","","","","","","1.034","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200748","9.134","0.005","6.923","0.005","15.844","0.005","90","","94.092","0.005","90","","999.3","1","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 O6 Rb -","- C6 H5 Cl2 O6 Rb -","- C24 H20 Cl8 O24 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0502","","","","0.1361","","","","","","1.074","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200749","10.3457","0.0003","10.3457","0.0003","21.8653","0.0005","90","","90","","90","","2340.32","0.11","123","2","123","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0294","0.0258","","","0.0492","0.0505","","","","","","1.045","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200750","14.2543","0.0002","9.1438","0.0002","18.6546","0.0004","90","","106.168","0.001","90","","2335.25","0.08","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0318","0.0278","","","0.0595","0.0613","","","","","","1.037","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200751","6.6185","0.001","11.5873","0.001","21.7075","0.002","90","","97.708","0.0007","90","","1649.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 I N4 O4 -","- C16 H11 I N4 O4 -","- C64 H44 I4 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.0419","0.0434","","","","","","1.022","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200753","9.8675","0.0011","11.8984","0.0013","12.7498","0.0015","116.905","0.002","92.962","0.002","93.923","0.002","1326","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H30 Cd3 N8 O28 -","- C52 H30 Cd3 N8 O28 -","- C52 H30 Cd3 N8 O28 -","1","0.5","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0664","0.0424","","","0.085","0.106","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200754","9.9484","0.0009","10.788","0.001","13.8678","0.0013","92.909","0.001","108.763","0.002","117.277","0.001","1217.3","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Gd N3 O17 -","- C21 H19 Gd N3 O17 -","- C42 H38 Gd2 N6 O34 -","2","1","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0388","0.0304","","","0.0637","0.0801","","","","","","1.148","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200755","9.7413","0.0009","13.2603","0.0013","18.4924","0.0018","90","","98.52","0.002","90","","2362.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Mn N5 O6 -","- C26 H21 Mn N5 O6 -","- C104 H84 Mn4 N20 O24 -","4","1","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0891","0.0556","","","0.1051","0.1186","","","","","","0.894","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200756","6.539","0.006","9.325","0.009","17.317","0.017","83.307","0.017","88.561","0.019","89.15","0.02","1048.3","1.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","","Duggirala, Naga Kiran; Kanniah, Sundara Lakshmi; Muppidi, Vamsee Krishna; Thaimattam, Ram; Devarakonda, Surya","Polytypism in desvenlafaxine succinate monohydrate","CrystEngComm","2009","11","6","989","","10.1039/b821274k","","","0.7107","MoKα","","0.1367","0.0672","","","0.1505","0.1925","","","","","","0.871","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200757","7.2141","0.0014","7.4923","0.0015","15.456","0.003","85.14","0.03","86.43","0.03","70.65","0.03","784.9","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Form I of 1:1 cocrystal of ethenzamide and saccharin","Form I of 1:1 cocrystal of ethenzamide and saccharin","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph","CrystEngComm","2009","11","5","889","","10.1039/b821373a","","","0.71073","MoKα","","0.0392","0.0381","","","0.0935","0.0946","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200758","8.6125","0.0017","16.607","0.003","11.183","0.002","90","","91.45","0.03","90","","1599","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Form II of 1:1 cocrystal of ethenzamide and saccharin","Form II of 1:1 cocrystal of ethenzamide and saccharin","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph","CrystEngComm","2009","11","5","889","","10.1039/b821373a","","","0.71073","MoKα","","0.0666","0.0595","","","0.1556","0.1662","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200759","17.1338","0.0012","17.1338","0.0012","19.6083","0.0013","90","","90","","90","","5756.4","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H10 Cu2 I N3 -","- C6 H10 Cu2 I N3 -","- C96 H160 Cu32 I16 N48 -","16","1","","Zhao, Zhen-Guo; Yu, Rong-Min; Wu, Xiao-Yuan; Zhang, Qi-Sheng; Xie, Yi-Ming; Wang, Fei; Ng, Seik Weng; Lu, Can-Zhong","One-pot synthesis of two new copper(i) coordination polymers: in situ formation of different ligands from 4-aminotriazole","CrystEngComm","2009","11","11","2494","","10.1039/b821491c","","","0.71073","MoKα","","0.0526","0.0434","","","0.125","0.1434","","","","","","1.097","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200760","15.034","0.004","12.181","0.003","16.814","0.004","90","","102.133","0.003","90","","3010.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Cu2 I2 N5 -","- C8 H15 Cu2 I2 N5 -","- C64 H120 Cu16 I16 N40 -","8","2","","Zhao, Zhen-Guo; Yu, Rong-Min; Wu, Xiao-Yuan; Zhang, Qi-Sheng; Xie, Yi-Ming; Wang, Fei; Ng, Seik Weng; Lu, Can-Zhong","One-pot synthesis of two new copper(i) coordination polymers: in situ formation of different ligands from 4-aminotriazole","CrystEngComm","2009","11","11","2494","","10.1039/b821491c","","","0.71073","MoKα","","0.0426","0.0358","","","0.087","0.0917","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200762","15.521","0.003","26.412","0.005","6.9655","0.0014","90","","90","","90","","2855.4","1","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H72 Cl4 N8 O8 -","- C40 H72 Cl4 N8 O8 -","- C80 H144 Cl8 N16 O16 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2118","0.1004","","","0.2571","0.316","","","","","","1.024","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200763","26.7","0.005","7.0199","0.0014","17.975","0.004","90","","115.95","0.03","90","","3029.4","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H90 Cl4 N8 O11 -","- C44 H76 Cl4 N8 O11 -","- C88 H152 Cl8 N16 O22 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2044","0.1134","","","0.2563","0.3102","","","","","","0.961","","","","has coordinates","218490","2020-10-21","18:00:00",""
"7200764","26.413","0.005","7.1135","0.001","15.775","0.003","90","","96.299","0.016","90","","2946.1","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H80 Cl4 N8 O6 -","- C44 H80 Cl4 N8 O6 -","- C88 H160 Cl8 N16 O12 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2316","0.142","","","0.3132","0.3527","","","","","","1.234","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200765","12.278","0.001","12.33","0.001","31.945","0.004","90","","94.37","0.002","90","","4822","0.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ni(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 Ni P2 -","- C50 H42 F12 N10 Ni P2 -","- C200 H168 F48 N40 Ni4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0485","0.0465","","","0.099","0.0999","","","","","","1.008","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200766","12.465","0.002","12.546","0.002","32.51","0.004","90","","94.74","0.02","90","","5066.7","1.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ru(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 P2 Ru -","- C50 H42 F12 N10 P2 Ru -","- C200 H168 F48 N40 P8 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0533","0.052","","","0.1181","0.1186","","","","","","1.071","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200767","8.7021","0.0017","34.037","0.006","9.6217","0.0018","90","","93.538","0.003","90","","2844.5","0.9","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Cu(terpyPh)2](PF6)2.4DMF","","","- C54 H58 Cu F12 N10 O4 P2 -","- C54 H58 Cu F12 N10 O4 P2 -","- C108 H116 Cu2 F24 N20 O8 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0529","0.0492","","","0.1034","0.1054","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200768","8.7907","0.001","9.0547","0.001","30.257","0.003","96.778","0.002","92.357","0.002","91.431","0.002","2388.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Fe(terpyPh)2](PF6)2.4DMF","","","- C48 H44 F12 Fe N8 O2 P2 -","- C48 H44 F12 Fe N8 O2 P2 -","- C96 H88 F24 Fe2 N16 O4 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.07","0.0639","","","0.1313","0.1348","","","","","","1.066","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200769","9.3232","0.0009","35.457","0.003","12.6761","0.0012","90","","91.987","0.002","90","","4187.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(terpyPh)2](PF6)2.MeCN.H2O","","","- C44 H35 F12 Fe N7 O P2 -","- C44 H33 F12 Fe N7 O P2 -","- C176 H132 F48 Fe4 N28 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0941","0.0491","","","0.084","0.0993","","","","","","1.097","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200770","8.5125","0.0008","11.569","0.0008","25.143","0.002","90","","90","","90","","2476.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O7 U -","- C10 H10 O7 U -","- C80 H80 O56 U8 -","8","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0762","0.055","","","0.1324","0.1417","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200771","17.1976","0.0013","14.4008","0.001","17.444","0.001","90","","115.938","0.004","90","","3885","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 O28 U3 -","- C24 H38 O28 U3 -","- C96 H152 O112 U12 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0409","0.0296","","","0.0646","0.0674","","","","","","0.99","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200772","9.7509","0.0007","14.4507","0.0013","16.4698","0.0009","80.919","0.004","87.734","0.003","84.375","0.004","2279.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O28 U3 -","- C34 H16 O28 U3 -","- C68 H32 O56 U6 -","2","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0847","0.0633","","","0.1483","0.1576","","","","","","1.076","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200773","11.6222","0.0008","13.9067","0.0009","10.3985","0.0007","90","","102.513","0.001","90","","1640.75","0.19","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.065","0.0461","","","0.1213","0.139","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200774","11.6186","0.0009","13.9166","0.0011","10.419","0.0008","90","","102.484","0.002","90","","1644.8","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0705","0.0491","","","0.1307","0.148","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200775","11.6272","0.0008","13.9254","0.001","10.4577","0.0008","90","","102.408","0.001","90","","1653.7","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0794","0.053","","","0.14","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200776","11.6561","0.0008","13.9147","0.001","10.5076","0.0008","90","","102.099","0.001","90","","1666.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1008","0.0602","","","0.156","0.184","","","","","","1.032","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200777","11.7174","0.001","13.8685","0.0012","10.5133","0.0009","90","","101.625","0.002","90","","1673.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1239","0.0667","","","0.156","0.1897","","","","","","1.027","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200778","11.8493","0.0009","13.8243","0.0011","10.4921","0.0008","90","","101.018","0.002","90","","1687","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1488","0.0664","","","0.1443","0.1821","","","","","","1.026","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200779","11.8957","0.0011","13.8099","0.0013","10.4687","0.001","90","","100.865","0.002","90","","1689","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1246","0.0497","","","0.1067","0.1408","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200780","18.769","0.002","10.7865","0.0012","18.524","0.002","90","","108.689","0.002","90","","3552.5","0.7","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0736","0.0494","","","0.1231","0.1426","","","","","","1.042","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200781","18.7933","0.0011","10.8304","0.0007","18.5389","0.0011","90","","108.858","0.001","90","","3570.8","0.4","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0873","0.0545","","","0.1317","0.1548","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200782","18.6929","0.0013","10.7386","0.0008","18.4052","0.0013","90","","109.093","0.001","90","","3491.3","0.4","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0597","0.049","","","0.1304","0.1414","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200783","14.6663","0.0007","8.6866","0.0004","25.9906","0.0012","90","","90","","90","","3311.2","0.3","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0966","0.0521","","","0.11","0.1339","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200784","10.8998","0.0005","11.4338","0.0004","17.9406","0.0005","90","","92.393","0.005","90","","2233.92","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","2","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0478","0.0422","","","0.1213","0.1261","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200785","7.7618","0.0006","22.981","0.003","5.6539","0.0003","90","","90","","90","","1008.51","0.16","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54178","CuKα","","0.0617","0.043","","","0.0991","0.1097","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200786","6.452","0.005","18.073","0.013","16.549","0.011","90","","109.52","0.03","90","","1819","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0698","0.0581","","","0.1551","0.1648","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200787","11.737","0.002","7.473","0.002","13.759","0.003","90","","113.814","0.004","90","","1104.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0684","0.0558","","","0.137","0.1477","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200788","10.913","0.004","8.774","0.003","14","0.005","90","","99.55","0.02","90","","1321.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0836","0.0493","","","0.1276","0.1446","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200789","11.3071","0.0014","17.413","0.002","7.2568","0.0009","90","","101.005","0.002","90","","1402.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0524","0.0373","","","0.0994","0.1077","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200790","15.0879","0.0007","7.4306","0.0003","5.7751","0.0001","90","","90","","90","","647.46","0.04","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0458","0.0433","","","0.1261","0.1287","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200791","5.8933","0.0007","7.9383","0.0009","11.0988","0.0013","88.11","0.001","84.546","0.001","89.836","0.001","516.6","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine","4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine","","- C26 H6 F10 N2 -","- C26 H6 F10 N2 -","- C26 H6 F10 N2 -","1","0.5","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.043","0.0351","","","0.0944","0.1004","","","","","","1.067","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200792","7.463","0.002","15.2","0.005","18.46","0.006","95.369","0.004","90.52","0.004","92.737","0.004","2082.3","1.1","100","","100","","","","","","","","","4","P -1","-P 1","2","4,4'-diphenylethnyl-2,2'-bipyridine, 4,4'- bis(pentafluorophenylethnyl)-2,2'-bipyridine, benzene","4,4'-diphenylethnyl-2,2'-bipyridine, 4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine, benzene","","- C55 H25 F10 N4 -","- C55 H25 F10 N4 -","- C110 H50 F20 N8 -","2","1","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.0999","0.0494","","","0.1115","0.1435","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200793","10.7927","0.0012","11.3308","0.0013","10.4449","0.0012","90","","107.464","0.001","90","","1218.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene","4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene","","- C32 H16 F6 N2 -","- C32 H16 F6 N2 -","- C64 H32 F12 N4 -","2","0.5","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.0513","0.0367","","","0.0965","0.1155","","","","","","1.092","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200794","5.9951","0.0012","6.5877","0.0013","15.83","0.003","86.69","0.03","83.08","0.03","76.01","0.03","602","0.2","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Bis(S-N-(1-phenylethyl)-2,5-dihdyropyrrolo)tetrathiafulvalene","","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","1","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0467","0.044","","","0.123","0.125","","","","","","1.302","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200795","7.4847","0.0004","7.4847","0.0004","42.565","0.003","90","","90","","90","","2384.5","0.2","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis(S-N-(1-phenylethyl)pyrrolo)tetrathiafulvalene","","- C26 H22 N2 S4 -","- C26 H22 N2 S4 -","- C104 H88 N8 S16 -","4","0.5","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1479","0.0893","","","0.1303","0.1486","","","","","","1.149","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200796","12.705","0.003","6.1713","0.0012","19.492","0.004","90","","108.72","0.03","90","","1447.4","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(R-N-(1-naphthyl)ethyl-2,5-dihydropyrrolo)tetrathiafulvalene","","- C34 H30 N2 S4 -","- C34 H30 N2 S4 -","- C68 H60 N4 S8 -","2","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1236","0.0796","","","0.1344","0.1555","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200797","10.8652","0.0002","10.8969","0.0002","47.0032","0.001","90","","90","","90","","5565.04","0.19","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene","","- C34 H26 N2 S4 -","- C34 H26 N2 S4 -","- C272 H208 N16 S32 -","8","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0614","0.0572","","","0.1539","0.1558","","","","","","1.208","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200800","5.559","0.003","10.957","0.005","8.429","0.006","90","","99.21","0.03","90","","506.8","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Rambaran, Varma H.; Balof, Shawna; Moody, LaMaryet; VanDerveer, Don; Holder, Alvin A.","A new and efficient synthetic route for the synthesis of 3,6-dimethylpyrazine-2,5-dicarboxylic acid hydrate: molecular structure and unique supramolecular interactions","CrystEngComm","2009","11","4","580","582","10.1039/b822030c","","","0.71073","MoKα","","0.0536","0.0439","","","0.1018","0.1091","","","","","","1.106","","","","has coordinates","218493","2020-10-21","18:00:00",""
"7200801","12.9969","0.0003","7.6546","0.0002","13.4691","0.0004","90","","99.859","0.002","90","","1320.2","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.","Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes","CrystEngComm","2009","11","7","1331","","10.1039/b822101d","","","0.71073","MoKα","","0.0584","0.041","","","0.0988","0.1115","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200802","12.7369","0.0002","7.9376","0.0001","13.0497","0.0002","90","","96.935","0.001","90","","1309.68","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.","Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes","CrystEngComm","2009","11","7","1331","","10.1039/b822101d","","","0.71073","MoKα","","0.06","0.0404","","","0.1056","0.1223","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200805","23.6321","0.0003","7.3338","0.0001","16.9532","0.0002","90","","104.131","0.001","90","","2849.3","0.06","130","2","130","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","iodobis(1,10-phenanthroline)copper(ii) phenylsulphonate dihydrate","iodobis(1,10-phenanthroline)copper(II) phenylsulphonate dihydrate","","- C30 H25 Cu I N4 O5 S -","- C30 H23 Cu I N4 O5 S -","- C120 H92 Cu4 I4 N16 O20 S4 -","4","1","","Latham, Kay; Mensforth, Emily J.; Rix, Colin J.; White, Jonathan M.","Synthesis of supramolecular metallo-amine-oxy acid systems via crystal disassembly/reassembly","CrystEngComm","2009","11","7","1343","","10.1039/b822193f","","","1.54184","CuKα","","0.0804","0.0614","","","0.1664","0.1712","","","","","","1.102","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200808","12.51","0.002","13.671","0.002","7.5479","0.0012","90","","92.307","0.003","90","","1289.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N5 O5 -","- C13 H9 Co N5 O5 -","- C52 H36 Co4 N20 O20 -","4","0.5","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71073","MoKα","","0.0464","0.0405","","","0.1009","0.104","","","","","","1.12","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200809","19.485","0.009","7.084","0.003","12.134","0.007","90","","103.33","0.02","90","","1629.8","1.4","200","","200","","","","","","","","","6","C 1 2 1","C 2y","5","(Co(H2O)2(G1))(ClO4)","[Co(H2O)2(G1)](ClO4)","","- C13 H13 Cl Co N4 O8 -","- C13 H13 Cl Co N4 O8 -","- C52 H52 Cl4 Co4 N16 O32 -","4","1","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71075","MoKα","","0.0362","0.0339","","","0.0866","0.0886","","","","","","1.042","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200810","11.545","0.0001","11.545","0.0001","32.9386","0.0006","90","","90","","120","","3802.1","0.08","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.1088","0.0972","","","0.2189","0.2267","","","","","","1.07","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200811","11.5503","0.0002","11.5503","0.0002","32.9751","0.0017","90","","90","","120","","3809.8","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0377","0.032","","","0.0864","0.0891","","","","","","1.079","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200812","11.1531","0.0004","9.9944","0.0003","24.0449","0.0007","90","","90","","90","","2680.25","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C116 H112 Cu4 N8 O24 -","4","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0738","0.0537","","","0.129","0.1369","","","","","","0.991","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200813","9.0498","0.0017","13.27","0.002","16.353","0.003","90","","103.053","0.004","90","","1913.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cu2 N4 O6 -","- C42 H40 Cu2 N4 O6 -","- C84 H80 Cu4 N8 O12 -","2","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0713","0.059","","","0.1335","0.1402","","","","","","1.152","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200814","11.6431","0.0012","11.6431","0.0012","32.956","0.007","90","","90","","120","","3869","1","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0875","0.0713","","","0.1676","0.1793","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200815","11.5654","0.0008","11.5654","0.0008","32.789","0.002","90","","90","","120","","3798.2","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0725","0.0422","","","0.1006","0.1107","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200816","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1389","0.1025","","","0.2294","0.2551","","","","","","1.017","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200817","11.5834","0.0017","11.5834","0.0017","33.052","0.01","90","","90","","120","","3840.6","1.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1003","0.0537","","","0.1102","0.1282","","","","","","1.046","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200818","11.5175","0.0008","11.5175","0.0008","33.162","0.004","90","","90","","120","","3809.7","0.6","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0956","0.0854","","","0.1982","0.2066","","","","","","1.05","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200819","11.4711","0.0001","11.4711","0.0001","33.0791","0.0004","90","","90","","120","","3769.59","0.07","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54184","CuKα","","0.0456","0.0323","","","0.0629","0.0649","","","","","","0.926","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200820","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","123","2","123","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0945","0.0669","","","0.1603","0.1716","","","","","","1.087","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200821","11.6056","0.001","11.6056","0.001","33.043","0.005","90","","90","","120","","3854.3","0.7","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1112","0.1196","","","","","","1.026","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200822","7.9582","0.0015","9.2167","0.0015","9.6845","0.0019","73.672","0.009","81.868","0.011","70.65","0.009","642.3","0.2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O2 S2 -","- C28 H28 N4 O2 S2 -","- C28 H28 N4 O2 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.05","0.045","","","0.104","0.107","","","","","","1.08","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200823","7.378","0.008","7.956","0.01","12.339","0.015","101.02","0.05","95.14","0.03","99.78","0.03","695","1.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O6 S2 -","- C28 H26 N6 O6 S2 -","- C28 H26 N6 O6 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.081","0.063","","","0.163","0.22","","","","","","1.22","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200824","8.0156","0.0017","9.341","0.0017","9.916","0.003","98.324","0.007","110.766","0.005","91.31","0.002","684.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O2 S2 -","- C30 H32 N4 O2 S2 -","- C30 H32 N4 O2 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.046","0.043","","","0.111","0.115","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200825","9.727","0.007","14.64","0.009","10.112","0.007","90","","100.83","0.02","90","","1414.3","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N6 O6 S2 -","- C28 H28 N6 O6 S2 -","- C56 H56 N12 O12 S4 -","2","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.113","0.094","","","0.214","0.225","","","","","","1.21","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200826","11.454","0.004","14.95","0.006","17.707","0.007","90","","95.738","0.011","90","","3017","2","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","1","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.078","0.072","","","0.201","0.214","","","","","","1.2","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200827","12.047","0.002","14.947","0.001","13.02","0.002","90","","111.404","0.007","90","","2182.8","0.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 O5 -","- C22 H41.5 O5 -","- C88 H166 O20 -","4","1","","Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3","CrystEngComm","2009","11","7","1275","","10.1039/b822624p","","x-ray","1.54184","CuKα","","","0.048","","","","0.062","","","","","","1.78","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200828","20.575","0.013","15.282","0.005","11.747","0.008","90","","91.01","0.03","90","","3693","4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 O6 -","- C37 H62 O6 -","- C148 H248 O24 -","4","1","","Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3","CrystEngComm","2009","11","7","1275","","10.1039/b822624p","","x-ray","0.71073","MoKα","","","0.082","","","","0.117","","","","","","1.55","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200831","19.581","0.005","13.149","0.004","24.19","0.013","90","","93.75","0.04","90","","6215","4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Sn2 -","- C37 H32 Sn2 -","- C296 H256 Sn16 -","8","2","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.7107","MoKα","","0.115","0.038","","","0.091","0.115","","","","","","1","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200832","7.898","0.004","17.096","0.007","18.254","0.009","78.8","0.04","80.02","0.04","80.76","0.04","2361","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 Sn2 -","- C38 H34 Sn2 -","- C114 H102 Sn6 -","3","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.051","0.028","","","0.069","0.077","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200833","44.7","0.04","6.65","0.008","17.806","0.016","90","","108.97","0.07","90","","5005","9","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H36 Sn2 -","- C39 H36 Sn2 -","- C234 H216 Sn12 -","6","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.059","0.03","","","0.07","0.079","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200834","19.681","0.01","10.123","0.0015","18.193","0.005","90","","100.44","0.03","90","","3565","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Sn2 -","- C41 H40 Sn2 -","- C164 H160 Sn8 -","4","1","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.084","0.033","","","0.062","0.076","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200835","12.092","0.003","16.255","0.007","19.16","0.003","90","","105.347","0.015","90","","3631.7","1.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Sn2 -","- C42 H42 Sn2 -","- C168 H168 Sn8 -","4","0.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.067","0.026","","","0.059","0.069","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200836","32.89","0.03","7.65","0.01","31.334","0.008","90","","103.06","0.05","90","","7680","12","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H44 Sn2 -","- C43 H44 Sn2 -","- C344 H352 Sn16 -","8","1","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.297","0.12","","","0.327","0.394","","","","","","1.69","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200837","14.356","0.003","7.707","0.003","17.147","0.006","90","","97.47","0.02","90","","1881.1","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Sn2 -","- C44 H46 Sn2 -","- C88 H92 Sn4 -","2","0.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.058","0.027","","","0.066","0.076","","","","","","1.01","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200838","5.216","0.003","12.753","0.008","15.346","0.008","82.546","0.014","80.707","0.013","87.955","0.015","998.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O11.49 Zn -","- C17.999 H18 N2 O11.5 Zn -","- C35.998 H36 N4 O23 Zn2 -","2","1","","Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures","CrystEngComm","2009","11","7","1201","","10.1039/b822767e","","","0.71073","MoKα","","0.0573","0.0423","","","0.0977","0.107","","","","","","0.963","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200839","8.44","0.007","9.794","0.008","12.998","0.011","92.785","0.009","108.818","0.011","91.918","0.011","1014.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N2 O9.5 Zn2 -","- C19 H17 N2 O9.5 Zn2 -","- C38 H34 N4 O19 Zn4 -","2","1","","Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures","CrystEngComm","2009","11","7","1201","","10.1039/b822767e","","","0.71073","MoKα","","0.0769","0.0515","","","0.1147","0.1309","","","","","","1.026","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200840","7.8746","0.0016","21.825","0.004","17.83","0.004","90","","99.62","0.03","90","","3021.2","1.1","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","(1-(((R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl))-a-(2-(1-hydroxy- 1-methylethyl)\ phenylethyl)-benzylthio)methyl)cyclopropane acetic acid","(1-{[(R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl)]-a-[2-(1-hydroxy-1-methylethyl)\ phenylethyl]-benzylthio}methyl)cyclopropane acetic acid","","- C35 H36 Cl N O3 S -","- C35 H36 Cl N O3 S -","- C140 H144 Cl4 N4 O12 S4 -","4","2","","Thun, Juergen; Milius, Wolfgang; Wedel, Bastian; Ridder, Andre; Moersdorf, Peter; Breu, Josef","The crystal structure of the API Montelukast","CrystEngComm","2009","11","7","1306","","10.1039/b822821c","","","0.71073","MoKα","","0.0983","0.0619","","","0.1115","0.1239","","","","","","1.035","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7200841","9.5983","0.0019","5.9716","0.0012","9.784","0.002","90","","107.41","0.03","90","","535.1","0.2","296","2","296","2","620000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 Br F4 I O2 -","- C6 H8 Br F4 I O2 -","- C12 H16 Br2 F8 I2 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.0814","0.07","","","0.1584","0.1651","","","","","","1.196","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200842","5.659","0.001","6.41","0.001","5.892","0.001","90","","98.36","0.03","90","","211.46","0.06","296","2","296","2","420000","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-dioxane","1,4-dioxane","","- C4 H8 O2 -","- C4 H8 O2 -","- C8 H16 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.2073","0.1784","","","0.325","0.34","","","","","","1.416","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200843","8.838","0.001","8.838","0.001","13.532","0.003","90","","90","","120","","915.4","0.3","296","2","296","2","300000","","","","","","","5","R -3 :H","-R 3","148","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 F4 I2 O2 -","- C6 H7.92 F3.96 I2 O2 -","- C18 H23.76 F11.88 I6 O6 -","3","0.166667","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.1451","0.1335","","","0.3502","0.3668","","","","","","1.44","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200844","15.9084","0.0006","14.3646","0.0006","16.7141","0.0008","90","","116.386","0.002","90","","3421.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H66 N29 O35 Re U -","- C42 H66 N29 O35 Re U -","- C84 H132 N58 O70 Re2 U2 -","2","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0633","0.0471","","","0.1205","0.1247","","","","","","1.029","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200845","29.9954","0.0008","17.6794","0.0007","20.5253","0.0006","90","","127.974","0.002","90","","8580.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 N32 O55 U4 -","- C42 H76 N32 O55 U4 -","- C168 H304 N128 O220 U16 -","4","0.5","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0492","0.0383","","","0.097","0.1013","","","","","","1.048","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200846","17.8166","0.0008","20.4976","0.0009","19.134","0.0007","90","","90.607","0.003","90","","6987.3","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H68 N28 O35 U2 -","- C44 H46 N28 O35 U2 -","- C176 H184 N112 O140 U8 -","4","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0662","0.0608","","","0.1611","0.1638","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200848","8.2406","0.0004","5.21314","0.00024","11.4415","0.0006","90","","103.909","0.0024","90","","477.11","0.04","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","zinc fumarate","zinc fumarate","","- C4 H2 O4 Zn -","- C4 H2 O4 Zn -","- C16 H8 O16 Zn4 -","4","0.5","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.03578","","1.03","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200849","3.3969","0.00006","10.34413","0.00024","8.80754","0.00016","90","","95.5452","0.0022","90","","308.031","0.011","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zinc fumarate dihydrate","zinc fumarate dihydrate","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C8 H12 O12 Zn2 -","2","0.5","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.04261","","1.36","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200850","16.4332","0.0009","10.7749","0.0009","13.784","0.0012","90","","104.979","0.007","90","","2357.7","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","zinc(trans-1,2-bis(4-pyridyl)ethylene) fumarate","zinc(trans-1,2-bis(4-pyridyl)ethylene) fumarate","","- C10 H7 N O4 Zn -","- C10 H7 N O4 Zn -","- C80 H56 N8 O32 Zn8 -","8","1","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.05911","","4.14","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200851","25.574","0.005","8.6352","0.0017","17.905","0.004","90","","122.61","0.03","90","","3330.8","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H28 N2 O8 -","- C41 H28 N2 O8 -","- C164 H112 N8 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.0844","0.0575","","","0.1162","0.1256","","","","","","1.189","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200852","12.7276","0.0018","12.7276","0.0018","56.994","0.011","90","","90","","90","","9233","3","173","2","173","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C49 H36 N4 O8 -","- C49 H36 N4 O8 -","- C392 H288 N32 O64 -","8","0.25","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.08","0.0428","","","0.0919","0.0989","","","","","","0.893","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200853","7.9606","0.0002","8.5798","0.0002","10.7739","0.0003","87.868","0.003","85.153","0.002","88.212","0.001","732.43","0.03","298","","298","","","","","","","","The compound was used as received from Sigma-Aldrich, Fancy Road, Poole, U.K.","5","P -1","-P 1","2","ciprofloxacin","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C34 H36 F2 N6 O6 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200854","9.452","0.003","9.591","0.004","11.233","0.006","85.67","0.02","99.62","0.02","93.74","0.02","999.7","0.8","293","","293","","","","","","","","high-pressure crystallisation at 0.25 GPa","6","P -1","-P 1","2","","","","- C17 H27.5 F N3 Na0.5 O8 -","- C17 H17.5 F N3 Na0.5 O8 -","- C34 H35 F2 N6 Na O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1299","0.1031","","0.277","0.2553","0.277","","","","","","0.9753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200855","9.391","0.008","9.57","0.008","11.095","0.009","85.247","0.014","99.498","0.013","93.272","0.014","979.1","1.4","100","","100","","","","","","","","recovery of 2 to ambient pressure","6","P -1","-P 1","2","","","","- C17 H27.5 F N3 Na0.5 O8 -","- C17 H17.5 F N3 Na0.5 O8 -","- C34 H35 F2 N6 Na O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1286","0.079","","0.23","0.1971","0.23","","","","","","0.8956","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200856","9.547","0.007","9.87","0.007","11.109","0.012","88.79","0.04","101.42","0.04","90.25","0.02","1025.8","1.5","293","","293","","","","","","","","high-pressure crystallisation at 0.6 GPa","6","P -1","-P 1","2","","","","- C17 H27 F N3 Na O8 -","- C17 H17 F N3 Na O8 -","- C34 H34 F2 N6 Na2 O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.096","0.078","","0.183","0.1741","0.183","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200857","11.065","0.01","13.155","0.012","13.879","0.012","90.983","0.014","98.941","0.014","93.181","0.014","1992","3","100","","100","","","","","","","","recovery of 4 to ambient pressure, first 100 K data collection","6","P -1","-P 1","2","","","","- C34 H54 F2 N6 Na2 O16 -","- C34 H34 F2 N6 Na2 O15.5 -","- C68 H68 F4 N12 Na4 O31 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1919","0.1206","","0.3717","0.3214","0.3717","","","","","","0.9484","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200858","9.624","0.003","9.493","0.003","11.471","0.004","89.643","0.006","103.304","0.006","88.861","0.006","1019.6","0.6","100","","100","","","","","","","","recovery of 4 to ambient pressure, second 100 K data collection","6","P -1","-P 1","2","","","","- C34 H54 F2 N6 Na2 O16 -","- C34 H52 F2 N6 Na2 O16 -","- C34 H52 F2 N6 Na2 O16 -","1","0.5","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.0798","0.0542","","0.136","0.1242","0.136","","","","","","1.0012","","","","has coordinates,has disorder","291143","2024-04-09","08:49:04",""
"7200862","12.414","0.011","19.068","0.016","7.19","0.006","90","","99.28","0.02","90","","1680","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HG-I1 N-(m-methoxyphenyl)tetrazolone","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C64 H64 N32 O16 -","8","2","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0997","0.0533","","","0.1435","0.1707","","","","","","1.016","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200863","10.1689","0.0003","6.9582","0.0002","12.1607","0.0004","90","","104.799","0.001","90","","831.91","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-1,5-dihydro-5H-tetrazolone","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C32 H32 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0445","0.0399","","","0.1148","0.1205","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200864","8.8329","0.0005","13.1354","0.0008","16.0027","0.0009","90","","90","","90","","1856.69","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","HG864A 2-(3-methoxyphenyl)-5-methyl-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0567","0.041","","","0.1158","0.1261","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200865","3.8317","0.0003","13.8861","0.0013","17.7714","0.0016","90","","90","","90","","945.57","0.14","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-methoxyphenyl)-4-methyl-1,5-dihydro-5H-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0429","0.0378","","","0.103","0.1078","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200866","4.6812","0.0009","14.097","0.004","13.296","0.003","90","","99.967","0.007","90","","864.2","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl N2 -","- C10 H9 Cl N2 -","- C40 H36 Cl4 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.03","0.029","","","0.079","0.08","","","","","","1.07","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200867","10.4386","0.0003","17.9769","0.0005","13.0512","0.0003","90","","108.987","0.002","90","","2315.86","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N2 -","- C12 H13 Cl N2 -","- C96 H104 Cl8 N16 -","8","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.086","0.059","","","0.165","0.189","","","","","","1.07","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200868","9.3167","0.0003","20.4346","0.0011","25.3335","0.0015","90","","90","","90","","4823.1","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 -","- C13 H15 Cl N2 -","- C208 H240 Cl16 N32 -","16","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.11","0.055","","","0.128","0.156","","","","","","1.04","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200869","4.6442","0.0012","17.67","0.004","13.313","0.003","90","","100.024","0.002","90","","1075.8","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 Cl2 N2 -","- C11 H10 Cl2 N2 -","- C44 H40 Cl8 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.6905","synchrotron","","0.038","0.038","","","0.104","0.105","","","","","","1.11","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200870","13.0426","0.0005","7.8693","0.0002","22.6276","0.0009","90","","90","","90","","2322.41","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl N5 -","- C11 H10 Cl N5 -","- C88 H80 Cl8 N40 -","8","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.067","0.051","","","0.096","0.105","","","","","","1.08","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200871","4.5721","0.0001","14.8383","0.0006","14.8932","0.0006","90","","93.546","0.003","90","","1008.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.071","0.041","","","0.091","0.104","","","","","","1.05","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200872","8.929","0.0003","15.0394","0.0005","9.2127","0.0002","90","","105.198","0.002","90","","1193.88","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C52 H60 Cl4 N8 O4 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.044","0.036","","","0.086","0.09","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200873","8.7612","0.0003","7.0756","0.0001","9.6622","0.0002","90","","95.644","0.001","90","","596.06","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.032","0.03","","","0.071","0.073","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200880","16.9103","0.0005","24.7509","0.0007","6.773","0.0002","90","","96.082","0.001","90","","2818.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N5 O14 Sm -","- C24 H22 Ag2 N5 O14 Sm -","- C96 H88 Ag8 N20 O56 Sm4 -","4","1","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0257","0.0222","","","0.048","0.0494","","","","","","1.021","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200881","16.8877","0.0003","24.7375","0.0006","6.7716","0.0001","90","","96.162","0.002","90","","2812.56","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 Eu N5 O14 -","- C24 H22 Ag2 Eu N5 O14 -","- C96 H88 Ag8 Eu4 N20 O56 -","4","1","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0238","0.0208","","","0.0478","0.0489","","","","","","1.012","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200882","7.5461","0.0015","13.0618","0.0008","17.32","0.005","97.189","0.013","92.502","0.015","100.548","0.012","1661.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Ag4 N10 O36 Sm2 -","- C48 H60 Ag4 N10 O36 Sm2 -","- C48 H60 Ag4 N10 O36 Sm2 -","1","0.5","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0694","0.0428","","","0.0998","0.1252","","","","","","1.033","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200883","7.5268","0.0008","13.047","0.003","17.351","0.004","97.295","0.016","92.252","0.015","100.496","0.01","1658.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Ag4 Eu2 N10 O36 -","- C48 H60 Ag4 Eu2 N10 O36 -","- C48 H60 Ag4 Eu2 N10 O36 -","1","0.5","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0435","0.0337","","","0.09","0.1039","","","","","","0.975","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200884","13.355","0.002","14.45","0.002","14.685","0.002","90.181","0.004","115.534","0.003","115.853","0.003","2236.5","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","((AgL1)(AgC2F5CO2)5(H2O)3)0.5H2O","","","- C48 H26 Ag12 F50 I2 O29 -","- C24 H13 Ag6 F25 I O14.5 -","- C48 H26 Ag12 F50 I2 O29 -","2","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0957","0.0616","","","0.1481","0.162","","","","","","0.954","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200885","17.757","0.002","15.0645","0.0019","25.115","0.003","90","","90","","90","","6718.3","1.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL1)(AgCF3CO2)4(H2O)(CH3CH2CN))2","","","- C40 H26 Ag10 F24 I2 N2 O20 -","- C40 H26 Ag10 F24 I2 N2 O20 -","- C160 H104 Ag40 F96 I8 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0622","0.0442","","","0.1084","0.115","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200886","13.24","0.002","13.503","0.002","14.691","0.002","112.816","0.003","98.832","0.003","113.477","0.003","2067.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((AgL2)(AgCF3CO2)6(H2O)3)H2O","","","- C21 H14 Ag7 Br F18 O17 -","- C21 H14 Ag7 Br F18 O17 -","- C42 H28 Ag14 Br2 F36 O34 -","2","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0579","0.0497","","","0.1361","0.1415","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200887","17.284","0.003","15.081","0.002","24.44","0.004","90","","90","","90","","6370.5","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL2)(AgCF3CO2)4(H2O)(CH3CN))2","","","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C152 H88 Ag40 Br8 F96 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0912","0.0433","","","0.0924","0.1164","","","","","","1.014","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200888","25.0572","0.0007","16.6588","0.0007","15.0668","0.0005","90","","99.086","0.001","90","","6210.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((AgL2)(AgC2F5CO2)3(CH3CN))","","","- C20 H9 Ag4 Br F15 N O7 -","- C20 H9 Ag4 Br F15 N O7 -","- C160 H72 Ag32 Br8 F120 N8 O56 -","8","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0485","0.0392","","","0.1194","0.127","","","","","","1.095","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200889","14.598","0.004","7.3645","0.0018","19.757","0.005","90","","98.849","0.004","90","","2098.7","0.9","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Eu N2 O14 -","- C14 H18 Ag Eu N2 O14 -","- C56 H72 Ag4 Eu4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0711","0.0573","","","0.1401","0.1496","","","","","","1.062","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200890","25.244","0.003","10.7134","0.0013","18.651","0.002","90","","122.111","0.002","90","","4272.5","0.9","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H31 Ag2 Ce N7 O13 -","- C41 H29 Ag2 Ce N7 O13 -","- C164 H116 Ag8 Ce4 N28 O52 -","4","0.5","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0501","0.0328","","","0.0652","0.0729","","","","","","1.024","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200891","14.8009","0.0016","10.7176","0.0011","12.8757","0.0014","90","","99.468","0.002","90","","2014.7","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Ag N2 O13.5 Pr -","- C14 H15 Ag N2 O13.5 Pr -","- C56 H60 Ag4 N8 O54 Pr4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0415","0.0315","","","0.0787","0.0832","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200892","14.621","0.002","7.3491","0.001","19.765","0.003","90","","98.776","0.002","90","","2098.9","0.5","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 O14 Sm -","- C14 H18 Ag N2 O14 Sm -","- C56 H72 Ag4 N8 O56 Sm4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.054","0.0446","","","0.1085","0.1143","","","","","","1.007","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200893","14.5183","0.0017","7.364","0.0009","19.696","0.002","90","","99.02","0.002","90","","2079.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Dy N2 O14 -","- C14 H18 Ag Dy N2 O14 -","- C56 H72 Ag4 Dy4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.042","0.0283","","","0.0557","0.0588","","","","","","1.075","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200894","14.4474","0.0017","7.36","0.0008","19.48","0.003","90","","98.416","0.006","90","","2049.1","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 O14 Tb -","- C14 H18 Ag N2 O14 Tb -","- C56 H72 Ag4 N8 O56 Tb4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.7107","MoKα","","0.0377","0.0308","","","0.0765","0.0798","","","","","","1.072","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200895","14.656","0.003","7.3077","0.0015","19.705","0.004","90","","97.71","0.03","90","","2091.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Ce N2 O14 -","- C14 H18 Ag Ce N2 O14 -","- C56 H72 Ag4 Ce4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0302","0.0261","","","0.0606","0.0625","","","","","","1.084","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200896","14.582","0.003","7.3325","0.0015","19.606","0.004","90","","97.99","0.03","90","","2076","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 Nd O14 -","- C14 H18 Ag N2 Nd O14 -","- C56 H72 Ag4 N8 Nd4 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0304","0.0288","","","0.0685","0.0697","","","","","","1.052","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200897","9.5049","0.0003","9.5049","0.0003","6.9484","0.0006","90","","90","","120","","543.64","0.05","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- Bi2.5 F0.1 H0.9 Na2.5 O12.9 P3 -","- Bi2.502 F0.1 Na2.498 O12.9 P3 -","- Bi5.004 F0.2 Na4.996 O25.8 P6 -","2","0.333333","","Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections","CrystEngComm","2009","11","9","1863","","10.1039/b900499h","","","0.71073","MoKα","","0.1073","0.0646","","","0.1065","0.1147","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200898","20.09","0.002","6.0758","0.0007","20.626","0.002","90","","111.267","0.002","90","","2346.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Ce2 O17 -","- C18 H18 Ce2 O17 -","- C72 H72 Ce8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0392","0.036","","","0.0959","0.0976","","","","","","1.057","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200899","19.9212","0.0019","6.0431","0.0005","20.525","0.0018","90","","111.164","0.003","90","","2304.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O17 Pr2 -","- C18 H10 O17 Pr2 -","- C72 H40 O68 Pr8 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0361","0.0307","","","0.0731","0.0748","","","","","","1.089","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200900","19.831","0.0018","6.0329","0.0005","20.4964","0.0019","90","","111.096","0.002","90","","2287.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Nd2 O17 -","- C18 H18 Nd2 O17 -","- C72 H72 Nd8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0291","0.0236","","","0.0495","0.0509","","","","","","1.075","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200901","19.697","0.004","6.0193","0.0012","20.472","0.004","90","","110.89","0.03","90","","2267.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O17 Sm2 -","- C18 H18 O17 Sm2 -","- C72 H72 O68 Sm8 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0315","0.028","","","0.0606","0.0619","","","","","","1.059","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200902","19.6326","0.0012","6.0048","0.0004","20.4684","0.0017","90","","110.895","0.004","90","","2254.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Eu2 O17 -","- C18 H18 Eu2 O17 -","- C72 H72 Eu8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0377","0.0336","","","0.0862","0.0884","","","","","","1.058","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200903","19.556","0.004","5.9957","0.0012","20.412","0.004","90","","110.82","0.03","90","","2237.1","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Gd2 O17 -","- C18 H18 Gd2 O17 -","- C72 H72 Gd8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0212","0.0193","","","0.0478","0.0599","","","","","","1.031","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200904","6.6743","0.0004","7.6033","0.0005","11.003","0.0006","100.21","0.004","103.892","0.004","106.921","0.004","499.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 K O9 Tb -","- C7 H3 K O9 Tb -","- C14 H6 K2 O18 Tb2 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0261","0.024","","","0.0609","0.0619","","","","","","1.055","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200905","6.656","0.0002","7.5778","0.0003","10.9904","0.0003","100.325","0.002","103.827","0.002","106.904","0.002","496.21","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Dy K O9 -","- C7 H3 Dy K O9 -","- C14 H6 Dy2 K2 O18 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.029","0.0249","","","0.0556","0.0568","","","","","","1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200906","10.4541","0.0007","11.7756","0.0008","12.3649","0.0009","93.806","0.001","112.65","0.001","98.558","0.001","1376.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Ce2 K O17 -","- C25 H12 Ce2 K O17 -","- C50 H24 Ce4 K2 O34 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.04","0.0348","","","0.097","0.1072","","","","","","1.108","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200907","10.3647","0.0007","11.5338","0.0008","12.2664","0.0008","82.082","0.001","65.019","0.001","84.319","0.001","1315.16","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 K O17 Pr2 -","- C25 H12 K O17 Pr2 -","- C50 H24 K2 O34 Pr4 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0344","0.0302","","","0.0878","0.0907","","","","","","1.09","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200908","8.954","0.002","22.026","0.005","13.64","0.003","90","","95.57","0.004","90","","2677.4","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N3 O25 Yb2 -","- C12 H26 N3 O25 Yb2 -","- C48 H104 N12 O100 Yb8 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.7107","MoKα","","0.048","0.0438","","","0.0992","0.1012","","","","","","1.16","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200909","9.1432","0.0018","22.304","0.005","13.692","0.003","90","","90.43","0.03","90","","2792.1","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 Lu2 N3 O25.5 -","- C12 H12 Lu2 N3 O25.5 -","- C48 H48 Lu8 N12 O102 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.71073","MoKα","","0.0947","0.0797","","","0.2048","0.2165","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200910","8.9399","0.0018","22.103","0.004","13.693","0.003","90","","95.46","0.03","90","","2693.4","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Er2 N3 O25 -","- C12 H26 Er2 N3 O25 -","- C48 H104 Er8 N12 O100 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.71073","MoKα","","0.0409","0.0373","","","0.0749","0.0767","","","","","","1.133","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200915","8.4438","0.0003","10.0791","0.0004","19.41","0.0006","90","","92.264","0.001","90","","1650.62","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Ag Cu2 N2 O12 -","- C14 H9 Ag Cu2 N2 O12 -","- C56 H36 Ag4 Cu8 N8 O48 -","4","1","","Zou, Jian-Ping; Zhou, Guo-Wei; Zhang, Xing; Wang, Ming-Sheng; Lu, Ying-Bing; Zhou, Wei-Wei; Zhang, Zhang-Jing; Guo, Guo-Cong; Huang, Jin-Shun","A novel heterometal‒organic coordination polymer with chelidamic acid: nonlinear optical and magnetic properties,","CrystEngComm","2009","11","6","972","","10.1039/b900727j","","","0.71073","MoKα","","0.0382","0.0301","","","0.0747","0.0795","","","","","","1.009","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200917","22.763","0.003","4.9872","0.0005","13.6097","0.0015","90","","95.969","0.002","90","","1536.6","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0561","0.0472","","","0.1192","0.1259","","","","","","1.062","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200918","8.0141","0.0017","5.8339","0.0012","16.979","0.004","90","","97.228","0.003","90","","787.5","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C42 H28 O4 S2 -","2","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0458","0.0402","","","0.0933","0.0968","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200920","8.1953","0.0014","16.005","0.003","12.769","0.002","90","","99.83","0.003","90","","1650.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Breaking the trigonal host packing motif of Dianin's compound","CrystEngComm","2009","11","8","1545","","10.1039/b900954j","","","0.71073","MoKα","","0.0711","0.0509","","","0.1002","0.1072","","","","","","0.958","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200921","15.436","0.0018","12.9411","0.0015","10.3343","0.0012","90","","100.8","0.002","90","","2027.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C92 H124 N4 O8 -","4","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Breaking the trigonal host packing motif of Dianin's compound","CrystEngComm","2009","11","8","1545","","10.1039/b900954j","","","0.71073","MoKα","","0.064","0.0477","","","0.1154","0.1226","","","","","","0.984","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200931","11.321","0.002","11.321","0.002","19.872","0.003","90","0.005","90","0.005","120","0.005","2205.7","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H26 N8 O14 Zn3 -","- C20 H16 N8 O14 Zn3 -","- C60 H48 N24 O42 Zn9 -","3","0.5","","Xu, Yan-Hong; Lan, Ya-Qian; Wu, Shui-Xing; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi","Unprecedented interweaving of single-helical chains into a chiral metal‒organic framework based on a flexible ligand","CrystEngComm","2009","11","8","1711","","10.1039/b901042d","","","0.71069","MoKα","","0.0652","0.0521","","","0.1397","0.1521","","","","","","1.033","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200932","36.367","0.0016","9.2645","0.0003","16.8012","0.0007","90","","109.829","0.002","90","","5325.1","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0958","0.0555","","","0.1234","0.1534","","","","","","1.028","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200933","8.313","0.0003","9.5783","0.0003","9.802","0.0003","80.064","0.002","65.596","0.002","74.133","0.002","682.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0604","0.0444","","","0.1167","0.1456","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200934","22.9322","0.0012","15.8716","0.0008","10.2807","0.0005","90","","105.494","0.001","90","","3605.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cu N6 O4 -","- C40 H40 Cu N6 O4 -","- C160 H160 Cu4 N24 O16 -","4","0.5","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0661","0.0521","","","0.1398","0.1628","","","","","","1.103","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200935","22.9849","0.0016","16.1578","0.0013","10.2185","0.0008","90","","106.103","0.003","90","","3646.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl6 Cu N6 O2 -","- C34 H26 Cl6 Cu N6 O2 -","- C136 H104 Cl24 Cu4 N24 O8 -","4","0.5","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.1315","0.0615","","","0.1498","0.2011","","","","","","0.98","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200936","9.9609","0.0003","13.6458","0.0003","14.1783","0.0003","103.315","0.001","97.276","0.002","95.44","0.002","1844.87","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O6 Zn -","- C40 H40 N6 O6 Zn -","- C80 H80 N12 O12 Zn2 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.092","0.0642","","","0.1489","0.1781","","","","","","1.033","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200937","13.536","0.0008","13.8314","0.0004","14.2718","0.0004","111.843","0.001","102.397","0.002","104.374","0.002","2258.1","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 Cu2 N6 O9 -","- C48 H50 Cu2 N6 O9 -","- C96 H100 Cu4 N12 O18 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0698","0.0459","","","0.1163","0.1431","","","","","","1.116","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200938","13.4382","0.0005","21.1339","0.0008","12.3217","0.0004","90","","114.358","0.001","90","","3187.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Cl3 Co N5 O3 -","- C33 H27 Cl3 Co N5 O3 -","- C132 H108 Cl12 Co4 N20 O12 -","4","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.1305","0.0881","","","0.2598","0.293","","","","","","1.06","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200939","23.4552","0.0004","17.1577","0.0003","17.1153","0.0003","90","","90","","90","","6887.8","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36.5 H35 Co N5 O4.5 -","- C36.5 H35 Co N5 O4.5 -","- C292 H280 Co8 N40 O36 -","8","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0895","0.0611","","","0.1743","0.1986","","","","","","1.091","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7200940","8.587","0.0012","20.054","0.003","9.8062","0.0013","90","","90.701","0.003","90","","1688.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Li2 O10 P2 Zn2 -","- C14 H8 Li2 O10 P2 Zn2 -","- C56 H32 Li8 O40 P8 Zn8 -","4","1","","Li, Jin-Tang; Guo, Li-Rong; Shen, Yang; Zheng, Li-Min","LiF-assisted crystallization of zinc 4-carboxyphenylphosphonates with pillared layered structures","CrystEngComm","2009","11","8","1674","","10.1039/b901332f","","","0.71073","MoKα","","0.074","0.0458","","","0.0945","0.0989","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200941","5.8011","0.001","19.139","0.004","8.5616","0.0015","90","","102.086","0.004","90","","929.5","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F O5 P Zn2 -","- C7 H4 F O5 P Zn2 -","- C28 H16 F4 O20 P4 Zn8 -","4","1","","Li, Jin-Tang; Guo, Li-Rong; Shen, Yang; Zheng, Li-Min","LiF-assisted crystallization of zinc 4-carboxyphenylphosphonates with pillared layered structures","CrystEngComm","2009","11","8","1674","","10.1039/b901332f","","","0.71073","MoKα","","0.0741","0.0564","","","0.1187","0.1253","","","","","","1.075","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200942","10.444","0.002","11.213","0.002","12.233","0.002","79.66","0.03","71.61","0.03","87.54","0.03","1337.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H52 Co La2 N4 O24 S4 -","- C38 H52 Co La2 N4 O24 S4 -","- C38 H52 Co La2 N4 O24 S4 -","1","0.5","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0466","0.0426","","","0.1193","0.1255","","","","","","1.088","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200943","24.509","0.006","9.835","0.002","7.5626","0.0019","90","","90","","90","","1822.9","0.7","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br Cl La N3 O6 -","- C14 H14 Br Cl La N3 O6 -","- C56 H56 Br4 Cl4 La4 N12 O24 -","4","1","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0627","0.0546","","","0.1328","0.138","","","","","","1.1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200944","11.2948","0.0002","9.6915","0.0002","10.2869","0.0003","90","","97.856","0.001","90","","1115.47","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O4 Zn -","- C10 H7 N3 O4 Zn -","- C40 H28 N12 O16 Zn4 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0281","0.0216","","","0.0587","0.062","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200945","9.7277","0.0003","9.7907","0.0003","23.6034","0.001","78.835","0.002","78.848","0.002","88.953","0.002","2163.39","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 F4 N12 O8.5 Zn4 -","- C36 H24 F4 N12 O8.5 Zn4 -","- C72 H48 F8 N24 O17 Zn8 -","2","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.1204","0.0656","","","0.169","0.2021","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200946","13.7305","0.0009","13.7537","0.0012","23.967","0.002","90","","92.89","0.005","90","","4520.3","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H24 Cl4 N12 O8 Zn4 -","- C36 H24 Cl4 N12 O8 Zn4 -","- C144 H96 Cl16 N48 O32 Zn16 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0782","0.0608","","","0.1487","0.1621","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200947","5.749","0.003","6.541","0.003","9.903","0.005","80.4","0.02","78.7","0.02","71.71","0.03","344.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.1812","0.0722","","","0.1665","0.2185","","","","","","0.984","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200948","5.1062","0.0011","18.198","0.004","10.432","0.002","90","","97.06","0.002","90","","962","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.671","synchrotron","","0.0668","0.0439","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200949","31.3779","0.0013","12.3307","0.0006","7.16","0.0003","90","","92.968","0.002","90","","2766.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11","","- C11 H14 N2 O9 -","- C11 H14 N2 O9 -","- C88 H112 N16 O72 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.2044","0.1184","","","0.1928","0.2395","","","","","","1.064","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200950","11.6287","0.0003","5.1904","0.0002","11.9417","0.0003","90","","108.971","0.002","90","","681.62","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0717","0.0531","","","0.1011","0.1107","","","","","","1.089","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200951","8.322","0.004","11.203","0.005","11.915","0.005","90","","97.79","0.03","90","","1100.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C8 H14 N4 O6 -","- C8 H14 N4 O6 -","- C32 H56 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.2012","0.1421","","","0.2116","0.2343","","","","","","1.243","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200952","5.5097","0.0015","9.529","0.002","13.03","0.003","104.839","0.003","91.938","0.003","95.093","0.003","657.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C20 H36 N8 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6905","synchrotron","","0.0626","0.0507","","","0.1386","0.1486","","","","","","1.035","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200953","7.7814","0.0003","22.3584","0.0011","9.1957","0.0005","90","","103.329","0.003","90","","1556.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5","","- C12 H22 N4 O6 -","- C12 H22 N4 O6 -","- C48 H88 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.1552","0.0934","","","0.1574","0.188","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200954","16.6403","0.001","14.4382","0.0005","7.6872","0.0005","90","","117.299","0.002","90","","1641.2","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6","","- C12 H22 N6 O7 -","- C12 H22 N6 O7 -","- C48 H88 N24 O28 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0786","0.0473","","","0.1136","0.1295","","","","","","1.043","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200955","5.3007","0.0004","19.374","0.002","10.078","0.0009","90","","94.012","0.006","90","","1032.43","0.16","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7","","- C8 H14 N2 O5 -","- C8 H14 N2 O5 -","- C32 H56 N8 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0559","0.0421","","","0.1024","0.1112","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200956","6.8156","0.0006","12.7537","0.0012","14.1899","0.0011","90","","90","","90","","1233.44","0.19","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","8","8","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C40 H72 N8 O20 -","4","0.25","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0896","0.0591","","","0.1117","0.1283","","","","","","1.171","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200957","5.388","0.0013","9.921","0.003","18.265","0.005","90","","90","","90","","976.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6895","synchrotron","","0.0318","0.0307","","","0.0825","0.0836","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200958","13.087","0.004","23.552","0.006","13.954","0.004","90","","97.012","0.005","90","","4269","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N2 Ni O21 -","- C34 H32 N2 Ni O21 -","- C136 H128 N8 Ni4 O84 -","4","1","","Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Hai-Xia; Zhang, Jie","Supramolecular Borromean sheet consisting of threefold parallel interwoven 44-sql layers assembled by a flexible bipyridinium ligand","CrystEngComm","2009","11","8","1502","1504","10.1039/b901516g","","","0.71073","MoKα","","0.0855","0.075","","","0.2307","0.2444","","","","","","1.069","","","","has coordinates","218496","2020-10-21","18:00:00",""
"7200959","13.475","0.003","14.578","0.003","16.099","0.003","97.934","0.004","113.562","0.004","106.287","0.004","2667.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H82 Cu4 N16 O29 S4 -","- C104 H82 Cu4.001 N16 O29 S4 -","- C104 H82 Cu4.001 N16 O29 S4 -","1","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Ya-Nan; Yang, Guo-Ping; Fu, Ai-Yun; Shi, Qi-Zhen","A novel polythreaded metal‒organic framework with inherent features of different side arms and five-fold interpenetration","CrystEngComm","2009","11","8","1519","","10.1039/b901529a","","","0.71073","MoKα","","0.1503","0.0602","","","0.1239","0.1516","","","","","","0.994","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200960","26.8795","0.0012","19.1415","0.0008","21.2041","0.0009","90","","122.078","0.002","90","","9244.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Polymeric tetra-mu-formato-diaqua-3.5kis(4,4- bipyridyl)trizinc(ii) bis(perchlorate)dihydrate","","","- C39 H40 Cl2 N7 O20 Zn3 -","- C39 H36 Cl2 N7 O20 Zn3 -","- C312 H288 Cl16 N56 O160 Zn24 -","8","1","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0623","0.0465","","","0.1116","0.1206","","","","","","1.03","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200961","10.6952","0.0007","11.4831","0.0007","11.7638","0.0007","101.558","0.002","116.757","0.002","95.574","0.002","1234.58","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Polymeric tetra-mu-acetato-diaqua-tris(4,4- bipyridyl)trizinc(ii) bis(hexafluorophosphate)monohydrate","","","- C38 H44 F12 N6 O12 P2 Zn3 -","- C38 H40 F12 N6 O12 P2 Zn3 -","- C38 H40 F12 N6 O12 P2 Zn3 -","1","0.5","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0895","0.0648","","","0.1666","0.1867","","","","","","1.007","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200962","18.506","0.004","18.838","0.004","25.568","0.005","90","","119.9","0.03","90","","7727","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Polymeric tetra-mu-propionato-tetrakis(4,4- bipyridyl)trizinc(ii) bis(perchlorate)bis(4,4-bipyridyl)tetrahydrate","","","- C72 H76 Cl2 N12 O20 Zn3 -","- C72 H76 Cl2 N12 O20 Zn3 -","- C288 H304 Cl8 N48 O80 Zn12 -","4","1","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0897","0.0562","","","0.1223","0.1332","","","","","","1.023","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200965","8.4645","0.0018","9.117","0.002","11.632","0.002","110.885","0.006","90.108","0.003","104.698","0.005","807","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Cl2 Mn N14 S2 -","- C19 H26 Cl2 Mn N14 S2 -","- C19 H26 Cl2 Mn N14 S2 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0791","0.0728","","","0.2019","0.208","","","","","","1.054","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200966","8.6873","0.001","8.9324","0.0011","10.5653","0.0015","82.685","0.008","84.302","0.009","70.617","0.006","765.66","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Mn N16 O4 S2 -","- C20 H30 Mn N16 O4 S2 -","- C20 H30 Mn N16 O4 S2 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0476","0.0382","","","0.0882","0.094","","","","","","1.06","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200967","9.0938","0.0017","10.587","0.002","13.567","0.003","103.854","0.004","100.129","0.005","99.92","0.004","1216.6","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Mn2 N28 S4 -","- C36 H48 Mn2 N28 S4 -","- C36 H48 Mn2 N28 S4 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0364","0.0305","","","0.0693","0.0722","","","","","","1.053","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200978","10.1987","0.0007","12.1765","0.0008","12.6676","0.0008","103.897","0.001","105.973","0.001","107.548","0.001","1349.43","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Co2 N3 O15 -","- C22 H27 Co2 N3 O15 -","- C44 H54 Co4 N6 O30 -","2","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0407","0.037","","","0.1061","0.1082","","","","","","1.073","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200979","10.0968","0.001","12.1101","0.0012","12.586","0.0013","103.193","0.002","106.046","0.002","107.178","0.002","1330.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 Ni2 O15 -","- C22 H27 N3 Ni2 O15 -","- C44 H54 N6 Ni4 O30 -","2","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0312","0.0285","","","0.0775","0.0787","","","","","","1.063","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200980","14.0403","0.0008","9.0493","0.0005","17.2277","0.001","90","","106.962","0.001","90","","2093.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O8 -","- C22 H17 Cu N3 O8 -","- C88 H68 Cu4 N12 O32 -","4","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0315","0.0271","","","0.0766","0.0778","","","","","","1.12","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200983","5.898","0.004","7.371","0.005","11.31","0.007","90","","96.064","0.002","90","","488.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Br Cu N2 S -","- C5 H14 Br Cu N2 S -","- C10 H28 Br2 Cu2 N4 S2 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0368","0.0295","","","0.0693","0.073","","","","","","1.006","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200984","5.931","0.006","7.71","0.007","11.488","0.01","101.668","0.013","95.652","0.018","90.59","0.02","511.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H12 Cu I N2 S -","- C5 H12 Cu I N2 S -","- C10 H24 Cu2 I2 N4 S2 -","2","1","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0561","0.0518","","","0.1299","0.1334","","","","","","1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200985","14.9","0.004","6.4724","0.0013","6.4724","0.0013","90","","90","","90","","624.2","0.2","293","2","293","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C6 H12 Ag2 Cl N3 O0 S2 -","- C6 H12 Ag2 Cl N3 S2 -","- C12 H24 Ag4 Cl2 N6 S4 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0253","0.0247","","","0.0664","0.0671","","","","","","1.001","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200986","21.731","0.004","7.2815","0.0015","14.91","0.003","90","","101.49","0.03","90","","2312","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N2 O2 -","- C52 H76 N2 O2 -","- C104 H152 N4 O4 -","2","0.5","","Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue","Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative","CrystEngComm","2009","11","8","1716","","10.1039/b902129a","","","0.71073","MoKα","","0.158","0.0572","","","0.1271","0.1605","","","","","","0.963","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200987","16.912","0.003","9.83","0.002","15.129","0.003","90","","114.41","0.03","90","","2290.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N2 O2 -","- C52 H76 N2 O2 -","- C104 H152 N4 O4 -","2","0.5","","Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue","Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative","CrystEngComm","2009","11","8","1716","","10.1039/b902129a","","","0.71073","MoKα","","0.0949","0.0468","","","0.1125","0.1222","","","","","","1.016","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200988","6.182","0.003","12.632","0.005","6.436","0.003","90","","90","","90","","502.6","0.4","200","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ag F4 K2 -","- Ag F4 K2 -","- Ag4 F16 K8 -","4","","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","","","0.71069","MoKα","","","0.0306","","","","0.0808","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200989","20.8119","0.0014","6.3402","0.0004","6.2134","0.0004","90","","90","","90","","819.87","0.09","293","2","293","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","tripotassium heptafuoro diargenate","tripotassium heptafuoro diargenate","","- Ag2 F7 K3 -","- Ag2 F7 K3 -","- Ag8 F28 K12 -","4","0.25","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.1381","0.1381","","","0.1838","0.1838","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200990","6.2689","0.0002","8.3015","0.0002","6.1844","0.0002","90","","90","","90","","321.844","0.017","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium trifluoro argentate","","","- Ag F3 K -","- Ag F3 K -","- Ag4 F12 K4 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.0607","0.0533","","","0.0427","0.044","","","","","","","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200991","16.4267","0.0004","16.4267","0.0004","16.135","0.0007","90","","90","","90","","4353.8","0.2","173","2","173","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H60 O10 -","- C46 H60 O10 -","- C184 H240 O40 -","4","0.25","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0831","0.0758","","","0.2184","0.2285","","","","","","1.126","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200992","8.0141","0.0006","17.358","0.001","17.634","0.0011","82.173","0.003","78.215","0.004","77.5","0.003","2333.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H66 O11 -","- C49 H66 O11 -","- C98 H132 O22 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.1192","0.1005","","","0.3032","0.3207","","","","","","1.081","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200993","20.7573","0.0005","8.9214","0.0001","19.7132","0.0005","90","","102.185","0.001","90","","3568.33","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 N O8 -","- C42 H51 N O8 -","- C168 H204 N4 O32 -","4","0.5","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54184","CuKα","","0.0687","0.0628","","","0.174","0.1823","","","","","","1.045","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200994","14.3941","0.0003","21.1462","0.0005","17.3931","0.0004","90","","96.636","0.001","90","","5258.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H76.5 O14.25 -","- C56 H76 O14.25 -","- C224 H304 O57 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0678","0.0527","","","0.13","0.1411","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200995","14.5962","0.0003","15.334","0.0004","26.2678","0.0007","90","","97.548","0.002","90","","5828.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76.5 D6 O15.5 S -","- C58 H82 O15.5 S -","- C232 H328 O62 S4 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.127","0.0973","","","0.2822","0.314","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200996","12.676","0.001","13.597","0.001","13.826","0.001","73.3","0.002","76.27","0.002","78.95","0.002","2197.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Benzene-tri-2,6-2-pyridyl pyridazine","","","- C52 H40 N12 O -","- C52 H40 N12 O -","- C104 H80 N24 O2 -","2","1","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0782","0.064","","","0.1902","0.2066","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200997","6.164","0.006","14.713","0.001","17.365","0.001","90","","95.38","0.001","90","","1567.9","1.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-Phenyl-3,6-Di(2-pyridyl)pyridazine","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0539","0.0404","","","0.0974","0.1043","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200998","36","0.001","36","0.001","6.213","0.005","90","","90","","120","","6973","6","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C306 H198 N72 -","9","0.5","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0498","0.0408","","","0.1077","0.1125","","","","","","1.038","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200999","26.1227","0.0012","26.1227","0.0012","13.4564","0.0013","90","","90","","120","","7952.4","0.9","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H10 N8 O5 Zn2 -","- C16 H10 N8 O5 Zn2 -","- C288 H180 N144 O90 Zn36 -","18","0.5","","Guo, Huadong; Guo, Xianmin; Wang, Xiao; Li, Guanghua; Guo, Zhiyong; Su, Shengqun; Zhang, Hongjie","Interweaving of single-helical and equal double-helical chains with the same helical axis in a 3D metal‒organic framework","CrystEngComm","2009","11","8","1509","","10.1039/b902809a","","","0.71073","MoKα","","0.0251","0.0227","","","0.0626","0.0637","","","","","","1.112","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201003","15.017","0.003","17.685","0.004","27.129","0.005","90","","90","","90","","7205","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H65 Cu14 I14 N11 -","- C35 H53 Cu14 I14 N11 -","- C140 H212 Cu56 I56 N44 -","4","0.5","","Hou, Qin; Yu, Jie-Hui; Xu, Jia-Ning; Yang, Qing-Feng; Xu, Ji-Qing","A new 3-D two-fold interpenetrated framework with sqp net based on Cu6I6 and Cu8I8 cluster nodes","CrystEngComm","2009","11","11","2452","","10.1039/b902936m","","","0.71073","MoKα","","0.0645","0.0447","","","0.092","0.0982","","","","","","1.066","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201013","13.6544","0.0003","13.6544","0.0003","30.8734","0.0013","90","","90","","90","","5756.1","0.3","186","2","186","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(Eu(H2O)8(C4H12N))(C28H20O16S4) (H2O)16","","","- C32 H80 Eu N O40 S4 -","- C32 H80 Eu N O40 S4 -","- C128 H320 Eu4 N4 O160 S16 -","4","0.25","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie; Li, Deqian","Assembly of ‘discrete’ (H2O)16 water clusters within a supramolecular compound of calixarene","CrystEngComm","2009","11","7","1213","","10.1039/b903020d","","","0.71073","MoKα","","0.0365","0.0355","","","0.0755","0.0765","","","","","","1.286","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7201014","6.782","0.002","9.375","0.003","11.223","0.004","94.659","0.004","92.078","0.005","91.662","0.005","710.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag3 Cl N4 O16 -","- C24 H18 Ag3 Cl N4 O16 -","- C24 H18 Ag3 Cl N4 O16 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Guo, Jian-Hua","Unusual anion effect on the direction of three-dimensional (3-D) channel-like silver(I) coordination frameworks with isonicotinic acid N-oxide","CrystEngComm","2009","11","8","1536","","10.1039/b903074c","","","0.71073","MoKα","","0.0341","0.0269","","","0.0738","0.0888","","","","","","1.172","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201015","3.577","0.002","17.335","0.01","11.596","0.007","90","","90.726","0.01","90","","719","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N O4 -","- C6 H6 Ag N O4 -","- C24 H24 Ag4 N4 O16 -","4","1","","Du, Miao; Li, Cheng-Peng; Guo, Jian-Hua","Unusual anion effect on the direction of three-dimensional (3-D) channel-like silver(I) coordination frameworks with isonicotinic acid N-oxide","CrystEngComm","2009","11","8","1536","","10.1039/b903074c","","","0.71073","MoKα","","0.0842","0.0475","","","0.0765","0.0848","","","","","","1.084","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201016","8.433","0.014","8.661","0.013","13.62","0.02","74.33","0.02","77.1","0.02","80.55","0.02","928","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 Cl2 Mn N5 O -","- C15 H25 Cl2 Mn N5 O -","- C30 H50 Cl4 Mn2 N10 O2 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.079","0.0612","","","0.2052","0.237","","","","","","1.007","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201017","8.267","0.014","8.394","0.013","14.19","0.02","73.89","0.02","76.72","0.02","81.28","0.02","917","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl2 Mn N3 O3 -","- C15 H23 Cl2 Mn N3 O3 -","- C30 H46 Cl4 Mn2 N6 O6 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0869","0.069","","","0.211","0.2394","","","","","","1.081","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201018","11.1464","0.0016","25.461","0.004","10.7528","0.0015","90","","117.596","0.002","90","","2704.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Ag2 Mn N9 -","- C19.004 H23 Ag2 Mn N8.996 -","- C76.016 H92 Ag8 Mn4 N35.984 -","4","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0759","0.0664","","","0.1904","0.204","","","","","","1.082","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201019","11.1991","0.0013","25.381","0.003","10.6615","0.0012","90","","115.925","0.002","90","","2725.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Au2 Mn N9 -","- C19.001 H23 Au2 Mn N9.088 -","- C76.004 H92 Au8 Mn4 N36.352 -","4","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.044","0.0374","","","0.1084","0.1127","","","","","","1.054","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201020","10.6151","0.0011","20.157","0.002","49.67","0.005","90","","90","","90","","10627.8","1.9","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C19 H24 Au2 Mn N7 O3.5 -","- C19 H24 Au2 Mn N7 O3.5 -","- C304 H384 Au32 Mn16 N112 O56 -","16","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0463","0.0341","","","0.0915","0.0995","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201021","10.6783","0.0007","20.0234","0.0016","50.001","0.003","90","","90","","90","","10691","1.3","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C19 H24 Ag2 Mn N7 O3.5 -","- C19 H24 Ag2 Mn N7 O3.5 -","- C304 H384 Ag32 Mn16 N112 O56 -","16","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0558","0.046","","","0.1587","0.1728","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201022","13.335","0.002","13.335","0.002","31.626","0.008","90","","90","","90","","5623.8","1.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C52 H56.5 Cl0.5 Cu2 N6 O22.5 -","- C52 H40 Cl0.5 Cu2 N6 O22.5 -","- C208 H160 Cl2 Cu8 N24 O90 -","4","0.25","","Zhang, Hai-Xia; Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Jie","An unprecedented 9-fold [3 ×3] interpenetrated diamondoid network coordination polymer containing Cu(II)-based “paddlewheels” as connecting node","CrystEngComm","2009","11","9","1807","","10.1039/b903214b","","","0.71073","MoKα","","0.0692","0.0674","","","0.1942","0.198","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201024","11.8123","0.0011","8.1954","0.0008","10.9733","0.001","90","","117.975","0.002","90","","938.16","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Hg N4 S2 -","- C6 H4 Hg N4 S2 -","- C24 H16 Hg4 N16 S8 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0288","0.026","","","0.0585","0.0594","","","","","","1.025","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201025","7.0171","0.0012","7.0163","0.0012","8.3634","0.0014","109.362","0.004","96.04","0.004","112.625","0.003","345.53","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H2 Hg I2 N -","- C2 H2 Hg I2 N -","- C4 H4 Hg2 I4 N2 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.051","0.0503","","","0.1333","0.1358","","","","","","1.069","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201026","12.321","0.006","7.735","0.004","3.9036","0.0019","90","","95.497","0.011","90","","370.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Br2 Hg N2 -","- C4 H4 Br2 Hg N2 -","- C8 H8 Br4 Hg2 N4 -","2","0.25","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0405","0.0376","","","0.0847","0.0856","","","","","","1.046","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201027","4.052","0.003","9.002","0.007","9.734","0.008","98.723","0.013","100.464","0.013","99.231","0.014","338.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Br2 Hg N -","- C3 H4 Br2 Hg N -","- C6 H8 Br4 Hg2 N2 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0717","0.0598","","","0.1514","0.1581","","","","","","1.034","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201028","15.295","0.003","11.035","0.002","11.151","0.002","90","","115.25","0.003","90","","1702.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Hg N3 S2 -","- C5 H4 Hg N3 S2 -","- C40 H32 Hg8 N24 S16 -","8","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0727","0.0623","","","0.1559","0.1643","","","","","","1.046","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201029","4.0289","0.0008","10.454","0.002","12.306","0.002","105.738","0.004","94.848","0.004","100.308","0.004","485.96","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 Hg N2 -","- C6 H8 Br2 Hg N2 -","- C12 H16 Br4 Hg2 N4 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0673","0.0619","","","0.1731","0.1797","","","","","","1.08","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201030","3.895","0.0013","8.146","0.003","9.945","0.003","80.398","0.005","86.387","0.005","80.858","0.006","306.95","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cl4 Hg2 N2 -","- C6 H8 Cl4 Hg2 N2 -","- C6 H8 Cl4 Hg2 N2 -","1","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0656","0.0636","","","0.1774","0.1789","","","","","","1.112","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201031","12.8459","0.0012","21.18","0.002","8.3837","0.0008","90","","90","","90","","2281","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 Hg N4 S2 -","- C8 H8 Hg N4 S2 -","- C64 H64 Hg8 N32 S16 -","8","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0192","0.0181","","","0.0396","0.0403","","","","","","0.914","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201032","4.4968","0.0009","6.8417","0.0014","9.941","0.002","90","","90","","90","","305.84","0.11","295","2","295","2","","","530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0276","0.0247","","","0.0631","0.0639","","","","","","1.145","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201033","4.3643","0.0009","6.6826","0.0013","9.773","0.002","90","","90","","90","","285.03","0.1","295","2","295","2","","","1160000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0215","0.0197","","","0.0478","0.0489","","","","","","1.178","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201034","4.2676","0.001","6.572","0.01","9.611","0.006","90","","90","","90","","269.6","0.4","295","2","295","2","","","2530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0435","0.0418","","","0.0827","0.0857","","","","","","1.131","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201035","9.638","0.002","9.638","0.002","27.84","0.007","90","","90","","120","","2239.6","0.9","289","2","293","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Dy F8 Na5 O21 -","- C12 H12 B2 Dy F8 Na5 O21 -","- C36 H36 B6 Dy3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0257","0.0256","","","0.0554","0.0555","","","","","","1.101","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201036","9.6578","0.0015","9.6578","0.0015","27.923","0.005","90","","90","","120","","2255.5","0.6","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-erbium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-erbium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Er F8 Na5 O21 -","- C12 H12 B2 Er F8 Na5 O21 -","- C36 H36 B6 Er3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0163","0.0149","","","0.0403","0.0691","","","","","","1.428","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201037","9.71","0.002","9.71","0.002","28.17","0.006","90","","90","","120","","2300.1","0.8","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 F8 Na5 O21 Pr -","- C12 H12 B2 F8 Na5 O21 Pr -","- C36 H36 B6 F24 Na15 O63 Pr3 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0321","0.032","","","0.0769","0.0772","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201038","17.535","0.004","8.4677","0.0016","19.207","0.004","90","","111.483","0.016","90","","2653.7","1","289","2","289","2","","","","","","","","5","C 1 c 1","C -2yc","9","Trisodium tris(2,2?-oxydiacetato)-gadolinium(iii) hexaahydrate","Trisodium tris(2,2?-oxydiacetato)-gadolinium(III) hexaahydrate","","- C12 H28 Gd Na3 O23 -","- C12 H12 Gd Na3 O23 -","- C48 H48 Gd4 Na12 O92 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0217","0.0206","","","0.0542","0.0546","","","","","","0.905","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201039","9.1741","0.0011","9.3387","0.0016","17.7642","0.0016","83.75","0.02","72.724","0.01","86.44","0.02","1443.9","0.3","289","2","289","2","","","105","","","","","7","P -1","-P 1","2","Ammonium trisodium tris(2,2?-oxydiacetato)- praseodymium(iii)tiocyanate tetraahydrate","Ammonium trisodium tris(2,2?-oxydiacetato)-praseodymium(III)tiocyanate tetraahydrate","","- C13 H24 N2 Na3 O19 Pr S -","- C13 H12 N2 Na3 O19 Pr S -","- C26 H24 N4 Na6 O38 Pr2 S2 -","2","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0374","0.0354","","","0.0941","0.0951","","","","","","1.073","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201040","14.544","0.002","15.039","0.003","18.655","0.003","112.528","0.003","106.237","0.003","97.703","0.002","3482.3","1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H70 Ge Mo12 N11 Ni4 O47 -","- C27 H56 Ge Mo12 N11 Ni4 O45 -","- C54 H112 Ge2 Mo24 N22 Ni8 O90 -","2","1","","Wang, Wenju; Xu, Lin; Gao, Guanggang; Liu, Li; Liu, Xizheng","The first ε-Keggin core of molybdogermanate in extended architectures of nickel(II) with N-donor ligands: syntheses, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2488","","10.1039/b903793d","","","0.71073","MoKα","","0.1017","0.0574","","","0.129","0.1551","","","","","","1.004","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201041","33.91","0.006","15.219","0.003","26.76","0.005","90","","103.472","0.003","90","","13430","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H66 Ge Mo12 N11 Ni4 O42 -","- C30 H62 Ge Mo12 N11 Ni4 O42 -","- C240 H496 Ge8 Mo96 N88 Ni32 O336 -","8","1","","Wang, Wenju; Xu, Lin; Gao, Guanggang; Liu, Li; Liu, Xizheng","The first ε-Keggin core of molybdogermanate in extended architectures of nickel(II) with N-donor ligands: syntheses, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2488","","10.1039/b903793d","","","0.71073","MoKα","","0.0813","0.054","","","0.1191","0.1319","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201042","29.3618","0.0006","29.3618","0.0006","37.1534","0.0014","90","","90","","90","","32030.5","1.5","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C61 H59 Cu3 N7 O19 S3 -","- C55 H35 Cu3 N7 O14 -","- C880 H560 Cu48 N112 O224 -","16","1","","Guo, Zhiyong; Yu, Jiangbo; Li, Guanghua; Si, Zhenjun; Guo, Huadong; Zhang, Hongjie","A three-dimensional metal‒organic framework based on a triazine derivative: syntheses, structure analysis, and sorption studies","CrystEngComm","2009","11","11","2254","","10.1039/b903932e","","","0.71073","MoKα","","0.1313","0.0938","","","0.2542","0.2743","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201043","8.9718","0.0018","11.025","0.002","11.152","0.002","93.22","0.03","102.11","0.03","96.21","0.03","1068.7","0.4","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br2 Cu3 N7 -","- C17 H17 Br2 Cu3 N7 -","- C34 H34 Br4 Cu6 N14 -","2","1","","Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile","CrystEngComm","2009","11","12","2751","","10.1039/b903972d","","","0.71073","MoKα","","0.0928","0.0629","","","0.1524","0.1749","","","","","","1.038","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201044","7.5111","0.0015","25.426","0.005","12.294","0.003","90","","106.74","0.03","90","","2248.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu4 N10 -","- C20 H17 Cu4 N10 -","- C80 H68 Cu16 N40 -","4","1","","Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile","CrystEngComm","2009","11","12","2751","","10.1039/b903972d","","","0.71073","MoKα","","0.0426","0.038","","","0.0926","0.0952","","","","","","1.123","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201045","13.023","0.001","12.739","0.001","13.684","0.001","90","","94.899","0.001","90","","2261.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H34 Cd2 N4 O12 -","- C46 H34 Cd2 N4 O12 -","- C92 H68 Cd4 N8 O24 -","2","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.0434","0.035","","","0.0903","0.0952","","","","","","1.075","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201046","10.4","0.002","11.48","0.002","12.407","0.002","112.591","0.003","107.961","0.003","101.658","0.003","1211.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cd2 N4 O15 -","- C46 H34 Cd2 N4 O15 -","- C46 H34 Cd2 N4 O15 -","1","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.1048","0.0647","","","0.1529","0.182","","","","","","0.992","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201047","24.126","0.002","9.992","0.002","25.085","0.003","90","","116.902","0.005","90","","5392.8","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Cd3 N4 O16 -","- C54 H38 Cd3 N4 O16 -","- C216 H152 Cd12 N16 O64 -","4","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.0806","0.0475","","","0.1195","0.1337","","","","","","1.095","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201055","9.134","0.004","20.071","0.008","11.292","0.005","90","","91.478","0.008","90","","2069.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O12 P2 -","- C14 H20 N4 O12 P2 -","- C56 H80 N16 O48 P8 -","4","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.1648","0.0713","","","0.1311","0.1488","","","","","","0.806","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201056","6.855","0.0014","36.204","0.007","7.5513","0.0015","90","","90.79","0.03","90","","1873.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O10 S -","- C14 H20 N4 O10 S -","- C56 H80 N16 O40 S4 -","4","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0543","0.0421","","","0.1112","0.1186","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201057","34.633","0.014","7.993","0.003","14.308","0.005","90","","98.437","0.011","90","","3918","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 N4 O12 -","- C14 H16 Cl2 N4 O12 -","- C112 H128 Cl16 N32 O96 -","8","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.1238","0.0658","","","0.1857","0.2228","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201058","21.659","0.004","4.8742","0.001","17.943","0.004","90","","120.4","0.03","90","","1633.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 N4 O4 -","- C14 H16 Cl2 N4 O4 -","- C56 H64 Cl8 N16 O16 -","4","0.5","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0369","0.0328","","","0.0946","0.0985","","","","","","1.065","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201059","21.881","0.004","4.9052","0.001","18.337","0.004","90","","119.75","0.03","90","","1708.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Br2 N4 O4 -","- C14 H16 Br2 N4 O4 -","- C56 H64 Br8 N16 O16 -","4","0.5","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0504","0.0386","","","0.0925","0.0961","","","","","","0.924","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201062","16.023","0.006","17.455","0.006","25.036","0.009","93.065","0.006","101.971","0.005","100.061","0.002","6715","4","133.15","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C332 H250 N16 O65 Zn8 -","- C332 H250 N16 O65 Zn8 -","- C332 H250 N16 O65 Zn8 -","1","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1557","0.1052","","","0.2774","0.3283","","","","","","1.067","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201063","12.264","0.003","28.899","0.006","9.6755","0.0019","90","","90","","90","","3429.2","1.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C80 H58 Cd2 N4 O17 -","- C80 H58 Cd2 N4 O17 -","- C160 H116 Cd4 N8 O34 -","2","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.0521","0.042","","","0.1032","0.1111","","","","","","1.013","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201064","7.94","0.002","26.509","0.008","16.793","0.005","90","","93.806","0.004","90","","3526.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H100 N8 O30 Zn4 -","- C150 H100 N8 O30 Zn4 -","- C150 H100 N8 O30 Zn4 -","1","0.25","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.146","0.0935","","","0.2651","0.3131","","","","","","1.049","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201065","9.15","0.018","13.76","0.03","10.229","0.019","90","","93.17","0.04","90","","1286","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C56 H32 N8 O16 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1108","0.0707","","","0.1523","0.1816","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201067","7.089","0.002","12.139","0.004","16.79","0.005","72.45","0.005","80.504","0.005","82.27","0.005","1353.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H17 Cu5 N8 -","- C27 H17 Cu5 N8 -","- C54 H34 Cu10 N16 -","2","1","","Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao","Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands","CrystEngComm","2009","11","9","1899","","10.1039/b904512k","","","0.71073","MoKα","","0.0718","0.0578","","","0.1468","0.1586","","","","","","0.979","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201068","10.586","0.019","13.259","0.017","17.18","0.003","90","","113.73","0.1","90","","2208","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cu3 N6 -","- C25 H17 Cu3 N6 -","- C100 H68 Cu12 N24 -","4","1","","Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao","Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands","CrystEngComm","2009","11","9","1899","","10.1039/b904512k","","","0.71073","MoKα","","0.0682","0.0593","","","0.1608","0.1714","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201069","8.5257","0.0017","8.5083","0.0016","19.23","0.004","90","","95.224","0.009","90","","1389.1","0.5","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(2,6-di(pyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.0545","0.0368","","","0.0958","0.1046","","","","","","1.043","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201070","12.716","0.004","12.44","0.005","19.237","0.007","90","","98.135","0.017","90","","3012.4","1.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,2':6',2''-terpyridine)ruthenium(ii) ditetrafluoroborate","Bis(2,2':6',2''-terpyridine)ruthenium(II) ditetrafluoroborate","","- C30 H22 B2 F8 N6 Ru -","- C30 H22 B2 F8 N6 Ru -","- C120 H88 B8 F32 N24 Ru4 -","4","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.056","0.0515","","","0.1265","0.1302","","","","","","1.083","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201071","8.0485","0.0016","9.1139","0.0018","22.607","0.005","94.13","0.03","91.52","0.03","113.94","0.03","1508.9","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form I of 1:1 cocrystal of ethenzamide and gentisic acid","Form I of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.0937","0.0763","","","0.1918","0.2055","","","","","","1.173","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201072","7.7217","0.0015","12.668","0.003","15.749","0.003","90","","102.44","0.03","90","","1504.4","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II of 1:1 cocrystal of ethenzamide and gentisic acid","Form II of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.1349","0.1233","","","0.3545","0.3615","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201073","7.1283","0.0014","16.242","0.003","12.904","0.003","90","","96.25","0.03","90","","1485.1","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Form III of 1:1 cocrystal of ethenzamide and gentisic acid","Form III of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.0716","0.0619","","","0.1568","0.1657","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201074","15.5453","0.0011","10.0554","0.0007","21.4858","0.0012","90","","113.182","0.004","90","","3087.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Cu2 N4 O16 -","- C62 H72 Cu2 N4 O16 -","- C124 H144 Cu4 N8 O32 -","2","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0849","0.0549","","","0.1488","0.1746","","","","","","1.042","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201075","10.568","0.002","14.124","0.003","14.562","0.005","111.999","0.005","96.899","0.005","111.303","0.004","1793.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 Cu2 N6 O18 -","- C72 H80 Cu2 N6 O18 -","- C72 H80 Cu2 N6 O18 -","1","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0873","0.0562","","","0.1487","0.1899","","","","","","1.077","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201076","10.4913","0.0009","11.0159","0.0009","12.4366","0.001","89.118","0.001","89.041","0.001","79.857","0.001","1414.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Cu2 N4 O12 S4 -","- C56 H60 Cu2 N4 O12 S4 -","- C56 H60 Cu2 N4 O12 S4 -","1","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0598","0.0463","","","0.1396","0.1535","","","","","","1.065","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201077","17.258","0.005","10.889","0.003","31.014","0.008","90","","95.417","0.004","90","","5802","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 Cu2 N8 O13 S4 -","- C52 H58 Cu2 N8 O13 S4 -","- C208 H232 Cu8 N32 O52 S16 -","4","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0707","0.042","","","0.1027","0.121","","","","","","1.022","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201078","10.9927","0.0008","12.5852","0.0009","10.1326","0.0006","90","","94.364","0.002","90","","1397.73","0.16","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; Günter, Peter","Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals","CrystEngComm","2009","11","8","1541","","10.1039/b904688g","","","0.71073","MoKα","","0.0388","0.0345","","","0.1051","0.1123","","","","","","1.118","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201079","9.52609","0.00008","15.46723","0.00016","17.22783","0.00016","90","","93.458","0.0006","90","","2533.77","0.04","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(nitrato-O,O')bis(1,10-phenanthroline-N,N')europium(III)""","","- C24 H16 Eu N7 O9 -","- C24 H16 Eu N7 O9 -","- C96 H64 Eu4 N28 O36 -","4","0.5","","Werner, Franz; Tada, Kentaro; Ishii, Ayumi; Takata, Masaki; Hasegawa, Miki","The key role of accurate lattice parameters in revealing subtle structural differences—a case study in the system [Ln(phen/phen-d8)2(NO3)3]","CrystEngComm","2009","11","7","1197","","10.1039/b904694c","powder diffraction","x-ray","1.00224","","","","","","","","","0.05144","","1.35","","","","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201080","8.74","0.0017","11.111","0.002","16.82","0.003","101.26","0.03","104.48","0.03","98.16","0.03","1519.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Ag3 N0 O27 Tb -","- C21 H24 Ag3 O27 Tb -","- C42 H48 Ag6 O54 Tb2 -","2","1","","Zhang, Zhen-Jie; Shi, Wei; Huang, Yong-Quan; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","The self-assembly of a heteronuclear complex monitored with ESI-MS and fluorescence spectrophotometry","CrystEngComm","2009","11","9","1811","","10.1039/b904704m","","","0.71073","MoKα","","0.0505","0.0387","","","0.0909","0.0986","","","","","","1.02","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201081","15.67","0.009","3.5182","0.0018","15.036","0.008","90","","104.523","0.007","90","","802.5","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Ag O7 -","- C7 H5 Ag O7 -","- C28 H20 Ag4 O28 -","4","1","","Zhang, Zhen-Jie; Shi, Wei; Huang, Yong-Quan; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","The self-assembly of a heteronuclear complex monitored with ESI-MS and fluorescence spectrophotometry","CrystEngComm","2009","11","9","1811","","10.1039/b904704m","","","0.7107","MoKα","","0.0337","0.026","","","0.0626","0.0665","","","","","","1.074","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201082","9.0103","0.0006","14.9957","0.0011","9.0466","0.0008","90","","96.139","0.007","90","","1215.33","0.16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Gd O9 -","- C6 H15 Gd O9 -","- C24 H60 Gd4 O36 -","4","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0289","0.0193","","","0.0358","0.0377","","","","","","1.05","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201083","8.4598","0.0003","8.549","0.0006","8.8472","0.0006","118.662","0.005","113.552","0.005","90.379","0.004","498.8","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 Gd O8 -","- C6 H5 Gd O8 -","- C12 H10 Gd2 O16 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0526","0.0476","","","0.145","0.1484","","","","","","1.143","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201084","9.6673","0.0003","15.4344","0.0003","27.2399","0.0003","90","","90","","90","","4064.44","0.16","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H10 Gd O10 -","- C5 H6 Gd O10 -","- C80 H96 Gd16 O160 -","16","0.5","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0354","0.0375","","","","","","1.143","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201085","13.9822","0.0013","13.9822","0.0013","6.2233","0.0012","90","","90","","90","","1216.7","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H26 N8 O4 Zn -","- C24 H16 N8 O4 Zn -","- C48 H32 N16 O8 Zn2 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0717","0.0572","","","0.1408","0.1493","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201086","13.327","0.003","8.6627","0.0019","11.1","0.002","90","","90","","90","","1281.5","0.5","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C24 H24 Cl2 Cu N8 O2 -","- C24 H20 Cl2 Cu N8 O2 -","- C48 H40 Cl4 Cu2 N16 O4 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0735","0.0603","","","0.1639","0.1698","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201087","15.661","0.002","16.626","0.002","24.8","0.003","73.646","0.01","72.264","0.01","69.575","0.01","5651.6","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C209 H292 F48 I8 N2 O10 -","- C209 H292 F48 I8 N2 O10 -","- C209 H292 F48 I8 N2 O10 -","1","0.5","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Ion-pair separation via selective inclusion/segregation processes","CrystEngComm","2009","11","7","1204","","10.1039/b904811c","","","0.71073","MoKα","","0.0792","0.0411","","","0.0894","0.1041","","","","","","1.003","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201088","3.77","0.0008","25.66","0.005","16.43","0.003","90","","95.23","0.03","90","","1582.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl5 Cu4 N2 -","- C12 H8 Cl5 Cu4 N2 -","- C48 H32 Cl20 Cu16 N8 -","4","1","","Jian, Fang Fang; Huang, Li Hua; Huang, Bao Xin; Wang, Jing; Wang, Xian","The nanoscale drum-gong-cymbal-like mixed-valence CuIICuI3 cluster polymer and magnetism study","CrystEngComm","2009","11","9","1796","","10.1039/b904818a","","","0.71073","MoKα","","0.0673","0.0435","","","0.1006","0.113","","","","","","1.049","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201089","11.4289","0.0017","19.667","0.003","27.089","0.004","90","","96.519","0.003","90","","6049.5","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H79 Cl6 N9 O32 -","- C38 H75 Cl6 N9 O32 -","- C152 H300 Cl24 N36 O128 -","4","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1316","0.0722","","","0.2061","0.2477","","","","","","1.05","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201090","16.602","0.002","18.921","0.002","23.048","0.003","90","","108.427","0.002","90","","6868.8","1.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H204 N16 O88 P16 -","- C72 H148 N16 O88 P16 -","- C144 H296 N32 O176 P32 -","2","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1533","0.11","","","0.2334","0.259","","","","","","0.947","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201091","26.684","0.0007","12.7451","0.0005","21.3537","0.0005","90","","98.737","0.002","90","","7177.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H110 N8 O48 P8 -","- C36 H68 N8 O48 P8 -","- C144 H272 N32 O192 P32 -","4","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1076","0.0728","","","0.2017","0.2382","","","","","","1.056","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201092","6.4134","0.0006","7.4639","0.0007","40.105","0.004","90","","94.439","0.004","90","","1914","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium (triaqua (3,5-dinitrobenzoate) (4- (dimethylamino)benzoate))","lithium [triaqua (3,5-dinitrobenzoate) (4-(dimethylamino)benzoate)]","","- C16 H19 Li2 N3 O11 -","- C16 H19 Li2 N3 O11 -","- C64 H76 Li8 N12 O44 -","4","1","","Seaton, Colin C.; Scowen, Ian J.; Blagden, Nicholas","Formation of a hybrid coordination-molecular complex","CrystEngComm","2009","11","9","1793","","10.1039/b904908h","","","0.71073","MoKα","","0.0663","0.0525","","","0.1489","0.1585","","","","","","1.027","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201093","18.582","0.002","20.431","0.003","25.719","0.003","103.07","0.02","95.62","0.02","107.28","0.02","8938","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.13 H51.25 B Cl0.25 N4 Ni O3 -","- C53.125 H51.25 B Cl0.25 N4 Ni O3 -","- C425 H410 B8 Cl2 N32 Ni8 O24 -","8","4","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0859","0.052","","","0.1193","0.1368","","","","","","1.026","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201094","12.615","0.002","11.356","0.002","17.992","0.003","90","","107.62","0.02","90","","2456.5","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H57 B N6 Ni O3 -","- C57 H57 B N6 Ni O3 -","- C114 H114 B2 N12 Ni2 O6 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0399","0.0327","","","0.07","0.0727","","","","","","1.03","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201095","16.708","0.004","11.93","0.003","24.401","0.005","90","","96.63","0.03","90","","4831","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 B N4 Ni O3 -","- C59 H55 B N4 Ni O3 -","- C236 H220 B4 N16 Ni4 O12 -","4","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0597","0.0391","","","0.0923","0.1025","","","","","","1.016","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201096","14.894","0.004","17.722","0.003","10.154","0.003","90","","90","","90","","2680.2","1.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H28 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","0.5","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0463","0.0321","","","0.0745","0.0819","","","","","","1.028","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201097","16.11","0.003","16.11","0.003","43.693","0.006","90","","90","","90","","11340","3","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27.75 H29.5 N4.5 Ni O6.5 -","- C27.75 H29.25 N4.5 Ni O6.5 -","- C444 H468 N72 Ni16 O104 -","16","2","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0655","0.0463","","","0.1027","0.1109","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201098","11.621","0.002","13.006","0.002","15.093","0.003","74.5","0.02","68.63","0.02","66.967","0.01","1934.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H44 N4 Ni O8.5 -","- C40.5 H44 N4 Ni O8.5 -","- C81 H88 N8 Ni2 O17 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0446","0.0359","","","0.0895","0.0941","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201099","11.0527","0.001","11.3755","0.001","15.9775","0.0014","90","","103.634","0.001","90","","1952.2","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20.4 N2 O4.2 Zn -","- C22 H20.4 N2 O4.2 Zn -","- C88 H81.6 N8 O16.8 Zn4 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.0289","0.0251","","","0.0675","0.0698","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201100","7.4048","0.0007","17.8437","0.0017","18.2591","0.0017","90","","98.59","0.001","90","","2385.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 Zn -","- C25 H28 N2 O5 Zn -","- C100 H112 N8 O20 Zn4 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.0337","0.0293","","","0.0776","0.0806","","","","","","1.02","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201101","12.7027","0.0008","20.8321","0.0013","16.9577","0.0011","90","","102.889","0.001","90","","4374.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N4 O12 Zn2 -","- C44 H44 N4 O12 Zn2 -","- C176 H176 N16 O48 Zn8 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.045","0.0321","","","0.0784","0.085","","","","","","1.017","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201102","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Bi, Li-Hua; Hou, Guang-Feng; Wu, Li-Xin; Kortz, Ulrich","An organo-ruthenium grafted zinc-substituted tungstoarsenate","CrystEngComm","2009","11","8","1532","","10.1039/b905030b","","","0.71073","MoKα","","0.0878","0.0548","","","0.1195","0.1346","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201103","13.1987","0.0002","13.1987","0.0002","9.247","0.0001","90","","90","","120","","1395.06","0.03","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Na -","- C18 H24 B3 F12 Fe N10 Na -","- C36 H48 B6 F24 Fe2 N20 Na2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0945","0.0714","","","0.2068","0.2332","","","","","","1.102","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201104","13.2465","0.0004","13.2465","0.0004","9.1812","0.0003","90","","90","","120","","1395.19","0.08","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe K N10 -","- C18 H24 B3 F12 Fe K N10 -","- C36 H48 B6 F24 Fe2 K2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0686","0.033","","","0.0656","0.0703","","","","","","0.849","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201105","13.286","0.0004","13.286","0.0004","9.2998","0.0002","90","","90","","120","","1421.65","0.07","203","2","203","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H28 B3 F12 Fe N11 -","- C18 H24 B3 F12 Fe N11 -","- C36 H48 B6 F24 Fe2 N22 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0585","0.035","","","0.098","0.1056","","","","","","1.045","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201106","13.466","0.0003","13.466","0.0003","9.4702","0.0002","90","","90","","120","","1487.19","0.06","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 Cs F12 Fe N10 -","- C18 H24 B3 Cs F12 Fe N10 -","- C36 H48 B6 Cs2 F24 Fe2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0549","0.0361","","","0.0934","0.1095","","","","","","1.084","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201107","13.384","0.0006","13.384","0.0006","9.3264","0.0003","90","","90","","120","","1446.83","0.1","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Rb -","- C18 H24 B3 F12 Fe N10 Rb -","- C36 H48 B6 F24 Fe2 N20 Rb2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0836","0.0327","","","0.0661","0.0843","","","","","","0.989","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201108","9.4059","0.0003","22.769","0.0005","12.165","0.0003","90","","110.168","0.003","90","","2445.55","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0559","0.0418","","","0.1117","0.1162","","","","","","1.074","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201109","9.4643","0.0003","22.8067","0.0005","12.2058","0.0004","90","","110.189","0.003","90","","2472.74","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0651","0.0489","","","0.1433","0.1506","","","","","","1.112","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201110","9.8471","0.0006","22.6507","0.0011","12.5484","0.0006","90","","111.268","0.006","90","","2608.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.1763","0.0453","","","0.1056","0.1283","","","","","","0.796","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201112","9.9192","0.0004","9.9192","0.0004","17.2456","0.0012","90","","90","","90","","1696.8","0.15","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C72 H128 O16 -","8","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0423","0.0376","","","0.1105","0.1156","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201113","11.4565","0.0006","7.9243","0.0004","13.7482","0.0008","90","","106.287","0.006","90","","1198.04","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0745","0.0428","","","0.1137","0.1206","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201114","6.9851","0.0004","6.9851","0.0004","29.362","0.003","90","","90","","120","","1240.68","0.16","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C54 H72 O12 -","6","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.1051","0.0368","","","0.0748","0.0842","","","","","","1.018","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201115","24.831","0.005","9.586","0.005","10.703","0.005","90","","98.294","0.005","90","","2521","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H20 N2 O4 Zn -","- C29 H20 N2 O4 Zn -","- C116 H80 N8 O16 Zn4 -","4","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.0445","0.0394","","","0.0953","0.098","","","","","","0.976","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201116","33.894","0.005","21.734","0.005","20.42","0.005","90","","124.565","0.005","90","","12387","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H41 N3 O10 Zn2 -","- C44 H32 N2 O9 Zn2 -","- C352 H256 N16 O72 Zn16 -","8","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1297","0.0821","","","0.2704","0.3086","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201117","32.5852","0.0015","20.8089","0.0009","16.3201","0.0007","90","","115.559","0.001","90","","9983.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O11 Zn2 -","- C49 H37.5 N5 O11 Zn2 -","- C392 H300 N40 O88 Zn16 -","8","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71073","MoKα","","0.0865","0.0561","","","0.1928","0.216","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201118","20.621","0.005","11.347","0.005","20.071","0.005","90","","90","","90","","4696","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H38 N4 O8 Zn2 -","- C48 H38 N4 O8 Zn2 -","- C192 H152 N16 O32 Zn8 -","4","0.5","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1689","0.0617","","","0.1269","0.1818","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201119","9.2973","0.0019","18.077","0.004","16.677","0.003","90","","92.36","0.03","90","","2800.5","1","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","","- C34 H38 O4 -","- C34 H38 O4 -","- C136 H152 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0742","0.045","","","0.1016","0.1146","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201120","9.418","0.002","17.609","0.004","18.846","0.004","94.39","0.03","102.14","0.03","103.64","0.03","2943.1","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1,2,2-tetraphenylethane-1,2-diol . 2(N,N-dimethylacetamide)","1,1,2,2-tetraphenylethane-1,2-diol . 2(N,N-dimethylacetamide)","","- C32 H40 N2 O4 -","- C34 H35.5 N2 O4 -","- C136 H142 N8 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.1938","0.0873","","","0.218","0.2709","","","","","","1.058","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201121","9.4758","0.0019","17.394","0.004","18.878","0.004","93.91","0.03","102.08","0.03","104.66","0.03","2919.3","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1,2,2-tetraphenylethane-1,2-diol. 1.5(N,N- dimethylacetamide). 0.5(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol. 1.5(N,N-dimethylacetamide). 0.5(tetrahydrofuran)","","- C33 H38 N2 O4 -","- C33.5 H31.5 N2 O4 -","- C134 H126 N8 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0846","0.063","","","0.1807","0.1997","","","","","","1.01","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201123","13.6263","0.0002","13.6263","0.0002","45.9922","0.0013","90","","90","","90","","8539.7","0.3","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C34 H32 Ag Br4 F6 N4 O8 P -","- C34 H32 Ag Br4 F6 N4 O8 P -","- C272 H256 Ag8 Br32 F48 N32 O64 P8 -","8","1","","Noh, Tae Hwan; Choi, Youn Jung; Ryu, Yoon Kyong; Lee, Young-A; Jung, Ok-Sang","2-Fold interpenetration via ligand-induced alternating perpendicular helical channel motifs. Structure of an acentric diamondoid silver(I) coordination polymer","CrystEngComm","2009","11","11","2371","","10.1039/b905296h","","","0.71073","MoKα","","0.0887","0.0445","","","0.0948","0.112","","","","","","1.044","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201127","39.009","0.003","9.6104","0.0006","30.547","0.002","90","","120.865","0.001","90","","9830","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 Eu4 N23 O32 -","- C83 H64 Cu10 Eu4 N23 O32 -","- C332 H256 Cu40 Eu16 N92 O128 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0454","0.0341","","","0.0782","0.0841","","","","","","1.042","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201128","38.977","0.003","9.5906","0.0006","30.516","0.002","90","","120.994","0.001","90","","9778.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 N23 O32 Tb4 -","- C83 H64 Cu10 N23 O32 Tb4 -","- C332 H256 Cu40 N92 O128 Tb16 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0458","0.0343","","","0.0756","0.0808","","","","","","1.069","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201129","39.0134","0.0019","9.6043","0.0005","30.5304","0.0015","90","","120.886","0.001","90","","9817.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 Gd4 N23 O32 -","- C83 H64 Cu10 Gd4 N23 O32 -","- C332 H256 Cu40 Gd16 N92 O128 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0471","0.0348","","","0.0763","0.0821","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201130","39.02","0.002","9.6088","0.0005","30.5665","0.0015","90","","120.82","0.001","90","","9842","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 N23 O32 Sm4 -","- C83 H64 Cu10 N23 O32 Sm4 -","- C332 H256 Cu40 N92 O128 Sm16 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0514","0.0366","","","0.0829","0.0905","","","","","","1.042","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201131","17.6646","0.0017","9.5625","0.0009","30.623","0.003","90","","107.761","0.004","90","","4926.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H64 Cu10 N23 Nd4 O32 -","- C83 H64 Cu10 N23 Nd4 O32 -","- C166 H128 Cu20 N46 Nd8 O64 -","2","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0624","0.043","","","0.0938","0.1032","","","","","","1.032","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201132","15.4163","0.0008","16.004","0.0008","16.1065","0.0008","71.766","0.001","67.93","0.001","68.095","0.001","3347.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Cu(C12H8N2)2)(Cu(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.0818","0.0486","","","0.1225","0.1333","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201133","15.262","0.003","16.038","0.004","16.236","0.004","71.345","0.003","67.762","0.002","68.625","0.003","3348.3","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Zn(C12H8N2)2)(Zn(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 N16 O36 S8 Zn4 -","- C152 H112 N16 O36 S8 Zn4 -","- C152 H112 N16 O36 S8 Zn4 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.0469","0.0369","","","0.0995","0.1035","","","","","","1.068","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201134","15.294","0.003","15.956","0.003","16.142","0.003","71.83","0.03","72.31","0.03","73.13","0.03","3481.6","1.4","186","2","186","2","","","","","","","","6","P -1","-P 1","2","((Cu(C12H8N2)2)(Cu(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.1056","0.0673","","","0.152","0.1682","","","","","","1.054","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201137","12.116","0.002","9.3247","0.0019","13.73","0.003","90","","93.52","0.03","90","","1548.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","- C64 H80 Cl8 N4 Pd2 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0927","0.0556","","","0.1072","0.12","","","","","","0.983","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201138","9.494","0.0019","15.26","0.003","13.493","0.003","90","","99.13","0.03","90","","1930.1","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C72 H96 Cl12 N4 Pd4 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0457","0.0341","","","0.0686","0.0728","","","","","","1.033","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201139","9.564","0.0019","10.679","0.002","11.417","0.002","97.17","0.03","107.55","0.03","114.8","0.03","965.8","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1326","0.0694","","","0.1075","0.1246","","","","","","1.022","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201140","10.332","0.002","10.381","0.002","11.125","0.002","107.93","0.03","105.75","0.03","109.92","0.03","968.3","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0514","0.0378","","","0.0695","0.0737","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201141","8.534","0.0017","10.496","0.002","10.809","0.002","67.6","0.03","75.21","0.03","79.37","0.03","861.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71069","MoKα","","0.0389","0.034","","","0.073","0.0749","","","","","","1.046","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201142","15.791","0.003","11.54","0.002","18.86","0.004","90","","93.92","0.03","90","","3428.8","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C144 H192 Cl16 N8 Pd4 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0945","0.0563","","","0.1004","0.1118","","","","","","1.046","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201143","14.488","0.003","16.31","0.003","17.107","0.003","90","","105.13","0.03","90","","3902.2","1.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C144 H192 Cl24 N8 Pd8 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1277","0.0563","","","0.0829","0.0995","","","","","","1.008","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201144","17.3444","0.0003","14.4107","0.0004","17.3961","0.0004","90","","118.501","0.001","90","","3821.12","0.16","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C144 H192 Cl24 N8 Pd8 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0871","0.0466","","","0.0832","0.0939","","","","","","1.032","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201145","9.228","0.0018","13.467","0.003","13.912","0.003","90","","98.45","0.03","90","","1710.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl6 N2 Pd2 -","- C32 H40 Cl6 N2 Pd2 -","- C64 H80 Cl12 N4 Pd4 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1829","0.0812","","","0.1375","0.1696","","","","","","1.003","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201146","11.223","0.002","10.657","0.002","15.065","0.003","90","","93.66","0.03","90","","1798.2","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C72 H96 Cl8 N4 Pd2 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1612","0.0671","","","0.1406","0.1719","","","","","","1.011","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201147","8.642","0.0017","10.201","0.002","10.998","0.002","63.85","0.03","82.5","0.03","65.19","0.03","788.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0481","0.038","","","0.0778","0.0816","","","","","","1.048","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201148","8.277","0.0017","10.612","0.002","11.527","0.002","107.25","0.03","105.75","0.03","103.75","0.03","873.1","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0379","0.0323","","","0.0695","0.0719","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201149","14.957","0.004","25.307","0.006","14.785","0.003","90","","90.579","0.005","90","","5596","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cu2 N4 O14 -","- C60 H60 Cu2 N4 O14 -","- C240 H240 Cu8 N16 O56 -","4","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Liu, Ping; Dong, Zhe; Shi, Qi-Zhen; Batten, Stuart R.","Two coordination polymers displaying unusual threefold 1D\ρightarrow 1D and threefold 2D→3D interpenetration topologies","CrystEngComm","2009","11","7","1207","","10.1039/b905427h","","","0.71073","MoKα","","0.1419","0.0597","","","0.1473","0.1673","","","","","","0.859","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201150","17.868","0.003","19.035","0.004","14.429","0.003","90","","101.648","0.003","90","","4806.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 Co2 N2 O14 -","- C49 H50 Co2 N2 O14 -","- C196 H200 Co8 N8 O56 -","4","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Liu, Ping; Dong, Zhe; Shi, Qi-Zhen; Batten, Stuart R.","Two coordination polymers displaying unusual threefold 1D\ρightarrow 1D and threefold 2D→3D interpenetration topologies","CrystEngComm","2009","11","7","1207","","10.1039/b905427h","","","0.71073","MoKα","","0.1426","0.0661","","","0.1745","0.2272","","","","","","1.013","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201151","10.1901","0.0017","14.441","0.002","14.56","0.002","77.697","0.006","76.965","0.006","73.843","0.005","1978.9","0.5","103.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","1","0.5","","Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.","Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions","CrystEngComm","2009","11","10","2121","","10.1039/b905486c","","","0.71075","MoKa","","","0.0539","","","","0.1299","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201152","10.5292","0.0001","13.169","0.0005","15.8886","0.0002","80.575","0.009","79.368","0.007","74.815","0.009","2074.14","0.13","93.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","1","0.5","","Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.","Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions","CrystEngComm","2009","11","10","2121","","10.1039/b905486c","","","0.7107","MoKa","","","0.0645","","","","0.2097","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201153","10.7149","0.0005","11.8405","0.0005","15.6861","0.0006","90","","132.593","0.002","90","","1465.07","0.12","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiophanate-methyl","","","- C12 H14 N4 O4 S2 -","- C12 H14 N4 O4 S2 -","- C48 H56 N16 O16 S8 -","4","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0453","0.0402","","","0.1128","0.1199","","","","","","1.187","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201154","8.9524","0.0018","20.073","0.004","8.9959","0.0018","90","","107.48","0.03","90","","1541.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiophanate-methyl","","","- C12 H14 N4 O4 S2 -","- C12 H14 N4 O4 S2 -","- C48 H56 N16 O16 S8 -","4","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0467","0.0415","","","0.1078","0.1125","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201155","10.641","0.002","13.751","0.003","20.181","0.004","74.62","0.03","85.49","0.03","77.97","0.03","2783.8","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl,acetonitrile monohydrate","","","- C41 H51.5 N14.5 O13 S6 -","- C41 H49.5 N14.5 O13 S6 -","- C82 H99 N29 O26 S12 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1099","0.0725","","","0.1745","0.2014","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201156","9.313","0.006","10.145","0.006","10.777","0.007","83.04","0.04","80","0.04","80.12","0.04","983.5","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, dichloromethane","","","- C13 H16 Cl2 N4 O4 S2 -","- C13 H16 Cl2 N4 O4 S2 -","- C26 H32 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0835","0.0684","","","0.1772","0.1881","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201157","9.313","0.002","10.15","0.002","10.735","0.002","82.061","0.011","79.396","0.012","79.411","0.012","974.7","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, 1,2-dichloromethane","","","- C14 H18 Cl2 N4 O4 S2 -","- C14 H18 Cl2 N4 O4 S2 -","- C28 H36 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0418","0.0358","","","0.091","0.0934","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201158","10.016","0.003","11.43","0.003","15.904","0.005","101.734","0.01","90.33","0.011","107.692","0.009","1693.9","0.9","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, methanol","","","- C25 H32 N8 O9 S4 -","- C25 H28 N8 O9 S4 -","- C50 H56 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1077","0.0726","","","0.1975","0.2339","","","","","","1.104","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201159","9.8415","0.0019","11.37","0.002","15.988","0.003","78.986","0.01","89.335","0.01","72.146","0.011","1669.4","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, ethanol","","","- C26 H34 N8 O9 S4 -","- C26 H34 N8 O9 S4 -","- C52 H68 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1835","0.1717","","","0.4942","0.4969","","","","","","2.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201160","10.206","0.002","11.153","0.002","17.062","0.003","76.69","0.03","86.07","0.03","72.46","0.03","1802.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N8 O9 S4 -","- C27 H34 N8 O9 S4 -","- C54 H68 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0555","0.0487","","","0.1271","0.134","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201161","11.277","0.003","17.368","0.004","19.902","0.005","92.21","0.012","103.76","0.011","100.772","0.01","3705.3","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, cyclohexanone","","","- C30 H38 N8 O9 S4 -","- C30 H38 N8 O9 S4 -","- C120 H152 N32 O36 S16 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0655","0.0411","","","0.0938","0.104","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201162","26.524","0.015","10.321","0.005","17.428","0.01","90","","94.66","0.03","90","","4755","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","thiophanate-methyl, dimethylsulfoxide","","","- C14 H20 N4 O5 S3 -","- C14 H20 N4 O5 S3 -","- C112 H160 N32 O40 S24 -","8","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1186","0.0899","","","0.2145","0.225","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201163","10.626","0.002","14.706","0.003","14.739","0.003","63.51","0.03","77.34","0.03","74.82","0.03","1975.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, chloroform","","","- C13 H15 Cl3 N4 O4 S2 -","- C13 H15 Cl3 N4 O4 S2 -","- C52 H60 Cl12 N16 O16 S8 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0716","0.0557","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201164","10.5457","0.0019","14.47","0.003","14.592","0.002","65.317","0.008","77.658","0.01","76.287","0.01","1948.9","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, tetrahydrofuran","","","- C16 H22 N4 O5 S2 -","- C16 H22 N4 O5 S2 -","- C64 H88 N16 O20 S8 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0606","0.0526","","","0.1494","0.1534","","","","","","1.123","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201165","21.97","0.01","11.428","0.005","17.147","0.007","90","","111.244","0.018","90","","4013","3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","thiophanate-methyl, dioxane","","","- C16 H22 N4 O6 S2 -","- C16 H22 N4 O6 S2 -","- C128 H176 N32 O48 S16 -","8","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0741","0.0679","","","0.1866","0.1954","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201166","8.2439","0.001","10.6899","0.0012","12.4925","0.0015","67.892","0.005","81.442","0.006","74.153","0.005","979.9","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, pyridine","","","- C17 H19 N5 O4 S2 -","- C17 H19 N5 O4 S2 -","- C34 H38 N10 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0447","0.0434","","","0.1082","0.109","","","","","","1.167","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201167","7.9951","0.0007","9.5484","0.0009","14.7017","0.0011","81.91","0.004","84.862","0.004","73.646","0.004","1064.73","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, 1,2-dichlorobenzene","","","- C18 H18 Cl2 N4 O4 S2 -","- C18 H18 Cl2 N4 O4 S2 -","- C36 H36 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0472","0.0459","","","0.1127","0.1138","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201168","8.4106","0.0008","9.9524","0.0009","12.9517","0.0012","107.946","0.004","101.732","0.005","96.683","0.004","991.01","0.16","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, benzene","","","- C18 H20 N4 O4 S2 -","- C18 H20 N4 O4 S2 -","- C36 H40 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0413","0.0373","","","0.0889","0.0908","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201169","12.2064","0.0019","14.77","0.002","17.428","0.003","97.289","0.004","103.462","0.003","107.88","0.003","2840.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H49 Br4 Cl3 N12 -","- C51 H49 Br4 Cl3 N12 -","- C102 H98 Br8 Cl6 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.1717","0.065","","","0.1565","0.2029","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201170","12.1","0.005","14.317","0.005","17.195","0.006","96.321","0.004","103.106","0.004","108.281","0.006","2701.4","1.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H49 Cl7 N12 -","- C51 H49 Cl7 N12 -","- C102 H98 Cl14 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.7107","MoKα","","0.1063","0.0876","","","0.2593","0.2788","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201171","18.212","0.004","20.863","0.004","29.126","0.006","90","","90","","90","","11067","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H56 I4 N12 O2 -","- C54 H56 I4 N12 O2 -","- C432 H448 I32 N96 O16 -","8","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.0894","0.0615","","","0.1354","0.1516","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201173","8.275","0.002","8.9203","0.0011","10.5938","0.0013","83.58","0.01","71.981","0.017","72.249","0.015","708.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Gd N3 O10 -","- C9 H14 Gd N3 O10 -","- C18 H28 Gd2 N6 O20 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin; Zeng, Ming-Hua; Ge, Chun-Hua; Zou, Xiao-Hong; Han, Guang-Xi","Synthesis, crystal structure and magnetic properties of two 3-D gadolinium complexes","CrystEngComm","2009","11","12","2629","","10.1039/b905663g","","","0.71073","MoKα","","0.0314","0.0246","","","0.0625","0.0831","","","","","","1.023","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201174","7.9626","0.0018","12.1331","0.0019","13.3182","0.0012","111.951","0.011","104.938","0.013","91.576","0.016","1142","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 Gd N4 O13 -","- C15 H19 Gd N4 O13 -","- C30 H38 Gd2 N8 O26 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin; Zeng, Ming-Hua; Ge, Chun-Hua; Zou, Xiao-Hong; Han, Guang-Xi","Synthesis, crystal structure and magnetic properties of two 3-D gadolinium complexes","CrystEngComm","2009","11","12","2629","","10.1039/b905663g","","","0.71073","MoKα","","0.0417","0.0384","","","0.1021","0.104","","","","","","1.113","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201175","11.4821","0.0011","6.3061","0.0006","14.7581","0.0014","90","","107.368","0.002","90","","1019.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cu N4 O3 -","- C9 H6 Cu N4 O3 -","- C36 H24 Cu4 N16 O12 -","4","1","","Kostakis, George E.; Chandra Mondal, Kartik; Abbas, Ghulam; Lan, Yanhua; Novitchi, Ghenadie; Buth, Gernot; Anson, Christopher E.; Powell, Annie K.","[Cu(N3)(p-CPA)]n: a two dimensional network exhibiting spin reorientation","CrystEngComm","2009","11","10","2084","","10.1039/b905707b","","","0.8","synchrotron","","0.0263","0.0244","","","0.0681","0.0689","","","","","","1.012","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201181","7.2243","0.0008","12.131","0.0012","22.654","0.003","90","","96.066","0.006","90","","1974.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C80 H48 Cu8 N8 O40 -","4","1","","Zhang, Lei; Li, Zhao-Ji; Lin, Qi-Pu; Zhang, Jian; Yin, Pei-Xiu; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Novel (3,6)-connected network and (4,6)-connected framework in two copper(II) and cadmium(II) complexes of flexible (2S,3S,4R,5R)-tetrahydrofurantetracarboxylic acid: synthesis, structure, thermostability, and luminescence studies","CrystEngComm","2009","11","9","1934","","10.1039/b905794c","","","0.71073","MoKα","","0.068","0.0549","","","0.1385","0.149","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201182","6.481","0.0006","26.9381","0.0016","8.3967","0.0006","90","","120.004","0.005","90","","1269.49","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cd2 O12 -","- C8 H10 Cd2 O12 -","- C32 H40 Cd8 O48 -","4","1","","Zhang, Lei; Li, Zhao-Ji; Lin, Qi-Pu; Zhang, Jian; Yin, Pei-Xiu; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Novel (3,6)-connected network and (4,6)-connected framework in two copper(II) and cadmium(II) complexes of flexible (2S,3S,4R,5R)-tetrahydrofurantetracarboxylic acid: synthesis, structure, thermostability, and luminescence studies","CrystEngComm","2009","11","9","1934","","10.1039/b905794c","","","0.71073","MoKα","","0.0269","0.0248","","","0.064","0.0652","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201185","78.612","0.003","10.6365","0.0005","9.6012","0.0004","90","","90","","90","","8028.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C20 H26 Cl5 Mn2 O5 S16 -","- C20 H21 Cl5 Mn2 O5 S16 -","- C160 H168 Cl40 Mn16 O40 S128 -","8","1","","Zorina, Leokadiya V.; Prokhorova, Tat'yana G.; Khasanov, Salavat S.; Simonov, Sergey V.; Zverev, Vladimir N.; Korobenko, Alexey V.; Putrya, Anna V.; Mironov, Vladimir S.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","A new hybrid molecular metal assembling a BEDT-TTF conducting network and the magnetic chain anion [Mn2Cl5(H2O)5]−∞: α-(BEDT-TTF)2[Mn2Cl5(H2O)5]","CrystEngComm","2009","11","10","2102","","10.1039/b905840k","","","0.71073","MoKα","","0.0703","0.0504","","","0.1336","0.1428","","","","","","1.052","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201186","7.435","0.002","6.1034","0.0019","17.069","0.006","90","","90.094","0.007","90","","774.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.1045","0.0861","","","0.1895","0.1963","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201187","5.0709","0.001","6.1246","0.0012","25.5","0.005","90","","90","","90","","792","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.0865","0.0586","","","0.0995","0.11","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201188","6.3272","0.0002","6.8535","0.0002","6.9057","0.0002","112.863","0.002","102.779","0.002","103.167","0.002","252.162","0.015","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Cu(CAN)2(pyz)]","catena[bis(nitrocyanamide)(pyrazine)Copper(II)]","","- C6 H4 Cu N8 O4 -","- C6 H4 Cu N8 O4 -","- C6 H4 Cu N8 O4 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0379","0.0335","","","0.0863","0.0886","","","","","","1.136","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201189","6.7301","0.0001","7.091","0.0001","8.6218","0.0002","109.184","0.001","90.647","0.001","107.858","0.001","367.002","0.012","123","1","123","1","","","","","","","","5","P -1","-P 1","2","{[Cu(CAN)2(pyz)(H2O)2].2H2O}","catena[bis(aqua)bis(nitrocyanamide)(pyrazine)copper(II)] dihydrate","","- C6 H12 Co N8 O8 -","- C6 H12 Co N8 O8 -","- C6 H12 Co N8 O8 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0313","0.025","","","0.0548","0.0565","","","","","","1.075","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201190","6.7652","0.0001","7.1822","0.0001","8.6218","0.0002","109.404","0.001","90.408","0.001","108.002","0.001","372.961","0.012","123","1","123","1","","","","","","","","5","P -1","-P 1","2","{[Fe(CAN)2(pyz)(H2O)2].2H2O}","catena[bis(aqua)bis(nitrocyanamide)(pyrazine)iron(II)] dihydrate","","- C6 H12 Fe N8 O8 -","- C6 H12 Fe N8 O8 -","- C6 H12 Fe N8 O8 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0299","0.0244","","","0.0561","0.0579","","","","","","1.057","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201191","7.2816","0.0002","11.3892","0.0002","15.2587","0.0005","90","","102.407","0.001","90","","1235.88","0.06","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Co(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy","[Co(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy","","- C22 H20 Co N10 O6 -","- C22 H20 Co N10 O6 -","- C44 H40 Co2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.1","0.0594","","","0.0801","0.0899","","","","","","1.062","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201192","7.2742","0.0001","11.485","0.0002","15.2616","0.0003","90","","102.364","0.001","90","","1245.45","0.04","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","{[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","","- C22 H20 Fe N10 O6 -","- C22 H20 Fe N10 O6 -","- C44 H40 Fe2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0519","0.0391","","","0.0698","0.0733","","","","","","1.068","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201193","7.3102","0.0001","11.59","0.0002","15.2784","0.0003","90","","101.865","0.001","90","","1266.81","0.04","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Mn(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","{[Mn(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","","- C22 H20 Mn N10 O6 -","- C22 H20 Mn N10 O6 -","- C44 H40 Mn2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0648","0.0378","","","0.0893","0.1013","","","","","","1.071","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201200","18.041","0.002","11.085","0.001","14.137","0.002","90","","105.013","0.002","90","","2730.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N2 -","- C13 H17 I N2 -","- C104 H136 I8 N16 -","8","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0515","0.0329","","","0.0837","0.0967","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201201","8.232","0.002","9.316","0.002","10.209","0.003","86.158","0.005","84.638","0.005","64.69","0.004","704.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 I N2 -","- C14 H19 I N2 -","- C28 H38 I2 N4 -","2","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0256","0.0244","","","0.0631","0.0638","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201202","12.5337","0.0001","11.6484","0.0001","17.1447","0.0002","90","","90","","90","","2503.08","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 I N2 -","- C12 H15 I N2 -","- C96 H120 I8 N16 -","8","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0285","0.0192","","","0.0474","0.0489","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201203","9.4229","0.0001","11.8744","0.0001","13.8521","0.0001","90","","90","","90","","1549.93","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0327","0.0233","","","0.0417","0.0435","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201204","20.7565","0.0003","14.049","0.0002","23.2945","0.0004","90","","90","","90","","6792.86","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 I N2 -","- C16 H23 I N2 -","- C256 H368 I16 N32 -","16","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.1011","0.0572","","","0.1349","0.1501","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201205","12.2127","0.0002","11.3954","0.0002","11.6217","0.0002","90","","106.097","0.002","90","","1553.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0317","0.021","","","0.0477","0.0501","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201206","14.4409","0.0015","18.0725","0.0019","23.928","0.002","90","","99.705","0.002","90","","6155.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 Dy2 N14 O32 -","- C46 H64 Cu2 Dy2 N14 O32 -","- C184 H256 Cu8 Dy8 N56 O128 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0341","0.0263","","","0.0577","0.0592","","","","","","0.945","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201207","14.4662","0.0014","18.0741","0.0018","23.962","0.002","90","","99.811","0.002","90","","6173.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 Gd2 N14 O32 -","- C46 H64 Cu2 Gd2 N14 O32 -","- C184 H256 Cu8 Gd8 N56 O128 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0295","0.026","","","0.0709","0.072","","","","","","1.046","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201208","14.459","0.003","18.079","0.004","23.943","0.005","90","","99.718","0.004","90","","6169","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 N14 O32 Tb2 -","- C46 H64 Cu2 N14 O32 Tb2 -","- C184 H256 Cu8 N56 O128 Tb8 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0555","0.0366","","","0.0692","0.0724","","","","","","0.831","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201209","17.749","0.0019","13.8366","0.0015","25.634","0.003","90","","106.396","0.005","90","","6039.3","1.2","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H29.69 N1.5 O10.1 -","- C33.5 H28.5 N1.5 O10.095 -","- C268 H228 N12 O80.76 -","8","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Swenson, Dale C.","A 1D crystalline organic polyrotaxane formed via hydrogen bond-mediated self-assembly of a conformationally flexible tri-carboxylic acid","CrystEngComm","2009","11","7","1227","","10.1039/b906196g","","","0.71073","MoKα","","0.1702","0.0756","","","0.1652","0.2067","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201210","7.4264","0.0008","11.362","0.0012","15.2805","0.0016","103.301","0.005","94.507","0.005","108.265","0.005","1175.6","0.2","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 O9 -","- C30 H18 O9 -","- C60 H36 O18 -","2","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Swenson, Dale C.","A 1D crystalline organic polyrotaxane formed via hydrogen bond-mediated self-assembly of a conformationally flexible tri-carboxylic acid","CrystEngComm","2009","11","7","1227","","10.1039/b906196g","","","0.71073","MoKα","","0.0672","0.0464","","","0.1182","0.1331","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201211","15.9893","0.0004","32.8544","0.0005","5.6968","0.0001","90","","90","","90","","2992.64","0.1","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-phenyl-1,2,3,5-dithiadiazolyl","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.71069","MoKα","","0.0671","0.049","","","0.0929","0.0993","","","","","","1.024","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201212","18.0888","0.0002","10.6435","0.0002","10.853","0.0001","90","","123.133","0.001","90","","1749.76","0.05","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-perfluorophenyl-1,2,3,5-dithiadiazolyl","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.7107","MoKα","","0.0364","0.031","","","0.0787","0.0819","","","","","","1.105","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201213","11.3529","0.0002","11.7748","0.0002","12.2261","0.0002","90","","95.028","0.001","90","","1628.07","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-phenyl-1,2,3,5-dithiadiazolyl) (4-perfluorophenyl-1,2,3,5-dithiadiazolyl) co-crystal","","","- C14 H5 F5 N4 S4 -","- C14 H5 F5 N4 S4 -","- C56 H20 F20 N16 S16 -","4","1","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.7107","MoKα","","0.0663","0.0384","","","0.0874","0.1002","","","","","","1.031","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201229","9.008","0.004","10.139","0.005","16.671","0.008","92.822","0.015","104.167","0.015","109.238","0.014","1379.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cu I4 N10 O4 S2 -","- C50 H52 Cu I4 N10 O4 S2 -","- C50 H52 Cu I4 N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0999","0.0531","","","0.1245","0.1402","","","","","","1.035","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201230","9.1064","0.0012","10.0279","0.0012","16.012","0.002","94.197","0.004","102.983","0.004","108.093","0.004","1338.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1991","0.0654","","","0.1358","0.1607","","","","","","0.874","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201231","10.1435","0.0004","14.9724","0.0007","20.3506","0.0009","90","","101.111","0.001","90","","3032.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H64 Cu N10 O4 S2 -","- C70 H64 Cu N10 O4 S2 -","- C140 H128 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.068","0.0448","","","0.1338","0.1536","","","","","","1.044","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201232","9.9865","0.0014","14.84","0.002","20.416","0.003","90","","100.363","0.004","90","","2976.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cu N10 O4 S2 -","- C66 H63.992 Cu N10 O4 S2 -","- C132 H127.984 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0622","0.0427","","","0.1215","0.1342","","","","","","0.812","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201233","9.21","0.006","10.155","0.007","15.921","0.011","93.77","0.02","104.08","0.02","109.2","0.02","1346.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1148","0.0515","","","0.1333","0.1566","","","","","","0.878","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201234","10.1605","0.001","15.0606","0.0015","20.01","0.002","90","","100.338","0.003","90","","3012.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H60 Cu N10 O4 S2 -","- C66 H60 Cu N10 O4 S2 -","- C132 H120 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1498","0.0618","","","0.1507","0.173","","","","","","0.965","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201235","8.1942","0.0007","10.001","0.0009","14.822","0.0013","75.664","0.003","85.553","0.003","85.294","0.003","1170.81","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 Cu N12 O4 S2 -","- C52 H38 Cu N12 O4 S2 -","- C52 H38 Cu N12 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0833","0.0441","","","0.1016","0.1127","","","","","","0.991","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201241","12.6363","0.0007","13.801","0.0007","15.691","0.0008","70.683","0.003","82.958","0.003","89.263","0.003","2561.8","0.2","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C66 H122 Cl6 N24 Ni6 O40 -","- C66 H122 Cl6 N24 Ni6 O40 -","- C66 H122 Cl6 N24 Ni6 O40 -","1","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","x-ray","0.71073","MoKα","","0.1131","0.0665","","","0.1553","0.1766","","","","","","1.055","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201242","23.206","0.005","20.746","0.005","16.193","0.005","90","0.005","130.773","0.005","90","0.005","5904","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H114 B F6 N24 Ni6 O12 -","- C66 H114 B F6 N24 Ni6 O12 -","- C132 H228 B2 F12 N48 Ni12 O24 -","2","0.25","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","","0.71069","MoKα","","0.0893","0.0609","","","0.1664","0.181","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7201243","43.2705","0.0009","7.9511","0.0001","20.8778","0.0004","90","","114.64","0.001","90","","6528.9","0.2","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H84 Cl5 Cu4 N14 O27.5 -","- C39 H73 Cl5 Cu4 N14 O27.5 -","- C156 H292 Cl20 Cu16 N56 O110 -","4","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","x-ray","0.71073","MoKα","","0.0639","0.047","","","0.1133","0.1218","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201244","18.109","0.005","27.02","0.005","22.118","0.005","90","0.005","99.74","0.005","90","0.005","10666","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H114 Cl Co6 N24 O18 -","- C66 H114 Cl Co6 N24 O18 -","- C264 H456 Cl4 Co24 N96 O72 -","4","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","","0.71069","MoKα","","0.0817","0.0672","","","0.1753","0.1846","","","","","","0.963","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201245","12.66206","0.000032","12.66206","0.000032","12.66206","0.000032","90","","90","","90","","2030.08","0.009","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Co N6 O24 Ru6 -","- C18 Co N6 O24 Ru6 -","- C36 Co2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.697396","synchrotron","","","","","","","","","","2.491","","","","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7201246","12.70707","0.00075","12.70707","0.00075","12.70707","0.00075","90","","90","","90","","2051.8","0.2","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Fe N6 O24 Ru6 -","- C18 Fe N6 O24 Ru6 -","- C36 Fe2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.69864","synchrotron","","","","","","","","","","2.215","","","","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7201247","10.9508","0.0002","12.2489","0.0003","12.6508","0.0003","78.2287","0.001","88.3215","0.0013","86.2671","0.0013","1657.48","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H48 Cl8 N8 O8 -","- C74 H48 Cl8 N8 O8 -","- C74 H48 Cl8 N8 O8 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.0927","0.0673","","","0.1792","0.1926","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201248","18.496","0.0002","20.2741","0.0004","18.6398","0.0003","90","","114.095","0.001","90","","6380.71","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H48 Cl6 N8 O9 Zn -","- C64 H44 Cl4 N8 O9 Zn -","- C256 H176 Cl16 N32 O36 Zn4 -","4","1","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.1014","0.0654","","","0.1648","0.1797","","","","","","1.046","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201249","10.3866","0.0003","13.9603","0.0006","14.2042","0.0006","78.039","0.002","73.847","0.002","68.884","0.002","1832.25","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Cl12 N8 O16 -","- C68 H60 Cl12 N8 O16 -","- C68 H60 Cl12 N8 O16 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.0966","0.068","","","0.183","0.2019","","","","","","1.038","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201250","18.2699","0.0004","26.9303","0.0008","18.3479","0.0005","90","","90.658","0.002","90","","9026.8","0.4","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H100 N20 Ni2 O34 Tb2 W2 -","- C58 H48 N20 Ni2 O34 Tb2 W2 -","- C232 H192 N80 Ni8 O136 Tb8 W8 -","4","1","","Dhers, Sébastien; Sahoo, Shaon; Costes, Jean-Pierre; Duhayon, Carine; Ramasesha, S.; Sutter, Jean-Pascal","1-D hydrogen-bonded organization of hexanuclear {3d-4f-5d} complexes: evidence for slow relaxation of the magnetization for [{LMe2Ni(H2O)Ln(H2O)4.5}2{W(CN)8}2] with Ln = Tb and Dy","CrystEngComm","2009","11","10","2078","","10.1039/b906539c","","","0.71073","MoKα","","0.0903","0.0319","","0.0675","0.037","0.037","","","","","","1.1194","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201251","12.762","0.003","13.148","0.003","13.825","0.002","107.952","0.008","92.416","0.008","109.564","0.008","2051.9","0.8","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C84 H54 Cl4 Fe2 N10 Ni2 O4 S12 -","2","1","","Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco","A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior","CrystEngComm","2009","11","10","2160","","10.1039/b906620a","","","0.71073","MoKα","","0.1338","0.0662","","","0.1362","0.1577","","","","","","0.909","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201252","12.7394","0.0013","13.1194","0.001","13.7931","0.0014","108.043","0.003","92.324","0.003","109.564","0.003","2038.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C84 H54 Cl4 Fe2 N10 Ni2 O4 S12 -","2","1","","Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco","A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior","CrystEngComm","2009","11","10","2160","","10.1039/b906620a","","","0.71073","MoKα","","0.114","0.0575","","","0.1214","0.1376","","","","","","0.93","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201253","11.7392","0.0006","12.7081","0.0006","9.5192","0.0005","90","","90.153","0.003","90","","1420.1","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H14 Co2 N16 O -","- C6 H14 Co2 N16 O -","- C24 H56 Co8 N64 O4 -","4","0.5","","Li, Ru-Yin; Wang, Zhe-Ming; Gao, Song","M2(N3)4(hmt)(H2O) (M = Co2+ and Ni2+, hmt = hexamethylenetetramine): mixed azide-hmt bridged 3D metal frameworks with long-range magnetic ordering","CrystEngComm","2009","11","10","2096","","10.1039/b906694m","","","0.71073","MoKα","","0.047","0.029","","","0.0666","0.0704","","","","","","1.006","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201254","11.802","0.003","18.533","0.005","13.233","0.003","90","","100.485","0.004","90","","2846.1","1.2","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 Cl2 Fe N10 S4 -","- C27 H14 Cl2 Fe N10 S4 -","- C108 H56 Cl8 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.1194","","","","0.3421","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201255","8.7864","0.0013","35.234","0.005","8.7965","0.0011","90","","90","","90","","2723.2","0.7","400.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0717","","","","0.2059","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201256","8.5451","0.0005","34.392","0.002","8.5882","0.0004","90","","90","","90","","2523.9","0.2","173.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0471","","","","0.1216","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201257","12.174","0.002","12.264","0.002","12.35","0.002","73.543","0.004","88.616","0.007","83.507","0.006","1756.9","0.5","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Fe N14 S5 -","- C38 H18 Fe N14 S5 -","- C76 H36 Fe2 N28 S10 -","2","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0559","","","","0.1415","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201258","13.3852","0.0008","13.3852","0.0008","9.9922","0.0012","90","","90","","90","","1790.2","0.3","291","2","291","2","","","","","","","","6","I -4","I -4","82","","","","- C25 H26 Cu4 I4 N4 O5 -","- C25 H26 Cu4 I4 N4 O5 -","- C50 H52 Cu8 I8 N8 O10 -","2","0.25","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A photoluminescent interpenetrating diamondoid metal‒organic framework based on Cu4I4 clusters with high thermal stability","CrystEngComm","2009","11","9","1834","","10.1039/b906905d","","","0.71073","MoKα","","0.0491","0.0448","","","0.1016","0.1027","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201261","4.535","0.003","10.913","0.007","17.142","0.01","90","","90","","90","","848.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cu2 N6 -","- C7 H4 Cu2 N6 -","- C28 H16 Cu8 N24 -","4","1","","Wang, Fei; Zhang, Jian; Chen, Shu-Mei; Xie, Yi-Ming; Wu, Xiao-Yuan; Chen, Shan-Ci; Yu, Rong-Min; Lu, Can-Zhong","New (3,4)-connected intrinsically chiral topology observed in a homochiral coordination polymer from achiral precursors","CrystEngComm","2009","11","8","1526","","10.1039/b907092n","","","0.71073","MoKα","","0.0547","0.0498","","","0.1528","0.1594","","","","","","0.998","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201262","9.987","0.003","13.172","0.004","14.29","0.004","90","","90","","90","","1879.8","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 N4 O9 Tb -","- C18 H15 N4 O9 Tb -","- C72 H60 N16 O36 Tb4 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0483","0.0361","","","0.0879","0.097","","","","","","1.059","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201263","10.158","0.003","13.269","0.004","14.47","0.004","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 La N4 O9 -","- C18 H15 La N4 O9 -","- C72 H60 La4 N16 O36 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0408","0.0315","","","0.0618","0.0671","","","","","","1.027","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201264","9.9814","0.0003","11.9312","0.0003","16.8666","0.0006","107.263","0.003","95.397","0.003","99.704","0.002","1868.44","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H61 N9 O20 Zn4 -","- C77 H61 N9 O20 Zn4 -","- C77 H61 N9 O20 Zn4 -","1","0.5","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.0439","0.0274","","","0.0636","0.0668","","","","","","0.952","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201265","18.1879","0.0006","10.6838","0.0003","31.74","0.0001","90","","102.899","0.004","90","","6011.9","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O17 Zn4 -","- C62 H48 N6 O17 Zn4 -","- C248 H192 N24 O68 Zn16 -","4","0.5","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.1176","0.0445","","","0.1011","0.1471","","","","","","0.997","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201266","7.4965","0.0002","15.5495","0.0004","18.1063","0.0004","90","","98.516","0.002","90","","2087.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 Zn -","- C22 H22 N2 O4 Zn -","- C88 H88 N8 O16 Zn4 -","4","1","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.0563","0.0303","","","0.0676","0.0726","","","","","","0.926","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201267","9.8673","0.0003","15.6848","0.0004","13.2389","0.0003","90","","95.342","0.002","90","","2040.04","0.09","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mn N2 O4 -","- C22 H22 Mn N2 O4 -","- C88 H88 Mn4 N8 O16 -","4","1","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.06","0.0395","","","0.1051","0.1125","","","","","","1.073","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201268","6.774","0.003","8.264","0.003","12.751","0.005","103.055","0.009","91.66","0.009","90.889","0.01","694.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 N2 Na2 O8 S4 -","- C18 H34 N2 Na2 O8 S4 -","- C18 H34 N2 Na2 O8 S4 -","1","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.1368","0.0894","","","0.1601","0.1823","","","","","","1.116","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201269","6.4276","0.001","8.0682","0.0012","12.1202","0.0019","101.826","0.002","104.093","0.003","92.107","0.003","594.19","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 K2 N2 O4 S4 -","- C18 H26 K2 N2 O4 S4 -","- C18 H26 K2 N2 O4 S4 -","1","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0419","0.0391","","","0.0937","0.0955","","","","","","1.12","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201270","21.895","0.002","6.4024","0.0007","17.464","0.0019","90","","108.53","0.002","90","","2321.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N2 O Rb2 S4 -","- C18 H20 N2 O Rb2 S4 -","- C72 H80 N8 O4 Rb8 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0769","0.0652","","","0.1216","0.1263","","","","","","1.237","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201271","22.422","0.0019","6.5428","0.0006","17.401","0.0015","90","","110.711","0.001","90","","2387.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cs2 N2 O S4 -","- C18 H20 Cs2 N2 O S4 -","- C72 H80 Cs8 N8 O4 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0304","0.0291","","","0.071","0.0718","","","","","","1.174","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201272","15.677","0.003","10.452","0.002","20.855","0.004","90","","103.12","0.03","90","","3328","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 N4 S4 -","- C30 H50 N4 S4 -","- C120 H200 N16 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.1304","0.1008","","","0.241","0.2585","","","","","","1.183","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201273","8.3466","0.0002","15.8125","0.0003","18.7686","0.0004","90","","90","","90","","2477.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cs O12 -","- C21 H29 Cs O12 -","- C84 H116 Cs4 O48 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0496","0.0344","","","0.0556","0.0583","","","","","","0.842","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201274","8.2125","0.0003","15.2641","0.0004","18.9603","0.0006","90","","90","","90","","2376.8","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cs O10 -","- C20 H29 Cs O10 -","- C80 H116 Cs4 O40 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0338","0.026","","","0.04","0.0412","","","","","","0.892","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201275","14.8028","0.0004","12.4245","0.0004","18.3359","0.0005","90","","90","","90","","3372.29","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Cs2 O16 -","- C28 H32 Cs2 O16 -","- C112 H128 Cs8 O64 -","4","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0879","0.045","","","0.0727","0.0805","","","","","","1.04","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201276","14.669","0.0005","27.0044","0.0009","17.2458","0.0004","90","","103.86","0.003","90","","6632.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H93 Cs3 O33 -","- C45 H75 Cs3 O33 -","- C180 H300 Cs12 O132 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.1044","0.0526","","","0.1224","0.1364","","","","","","0.942","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201277","11.0263","0.0003","21.5415","0.0005","10.2369","0.0003","90","","97.333","0.002","90","","2411.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Cs2 O18 -","- C38 H62 Cs2 O18 -","- C76 H124 Cs4 O36 -","2","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0845","0.0323","","","0.0366","0.0413","","","","","","0.825","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201278","27.2991","0.0004","10.4306","0.0002","22.0035","0.0004","90","","101.003","0.002","90","","6150.23","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H168 Cs4 O53 -","- C96 H156 Cs4 O53 -","- C192 H312 Cs8 O106 -","2","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.1332","0.0637","","","0.1546","0.1817","","","","","","0.95","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201279","13.1889","0.0006","8.607","0.0004","20.4006","0.0005","90","","93.461","0.003","90","","2311.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N8 O24 Sm2 U2 -","- C34 H48 N8 O24 Sm2 U2 -","- C68 H96 N16 O48 Sm4 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0229","0.0195","","","0.0468","0.0477","","","","","","1.054","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201280","13.1694","0.0013","8.623","0.0007","20.3522","0.0014","90","","93.309","0.006","90","","2307.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Eu2 N8 O24 U2 -","- C34 H48 Eu2 N8 O24 U2 -","- C68 H96 Eu4 N16 O48 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0484","0.0329","","","0.0661","0.0702","","","","","","0.993","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201281","43.698","0.002","8.3956","0.0003","19.467","0.0008","90","","115.999","0.002","90","","6419.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Gd2 N8 O44 U4 -","- C38 H54 Gd2 N8 O44 U4 -","- C152 H216 Gd8 N32 O176 U16 -","4","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0564","0.0452","","","0.1166","0.1222","","","","","","1.058","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201282","13.4846","0.0013","6.6387","0.0011","16.759","0.002","90","","111.391","0.008","90","","1396.9","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H27 Gd N4 O18 U2 -","- C18 H24 Gd N4 O18 U2 -","- C36 H48 Gd2 N8 O36 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0884","0.0802","","","0.2183","0.2252","","","","","","1.069","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201283","14.3015","0.0011","7.5361","0.0006","18.7339","0.0014","90","","107.678","0.001","90","","1923.7","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 Ni O8 S -","- C19 H16 N2 Ni O8 S -","- C76 H64 N8 Ni4 O32 S4 -","4","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0426","0.0395","","","0.1","0.1016","","","","","","1.246","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201284","8.5583","0.0007","11.69","0.0009","16.026","0.0013","69.982","0.001","78.52","0.001","78.349","0.001","1460.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 N4 Ni O7 S -","- C31 H24 N4 Ni O7 S -","- C62 H48 N8 Ni2 O14 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0899","0.0766","","","0.1843","0.1936","","","","","","1.117","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201285","12.875","0.003","14.763","0.004","15.643","0.004","107.09","0.004","94.328","0.004","106.234","0.004","2688.2","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 N6 Ni O20 S2 -","- C50 H52 N6 Ni O20 S2 -","- C100 H104 N12 Ni2 O40 S4 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0771","0.0578","","","0.1321","0.143","","","","","","1.069","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201286","7.989","0.004","15.006","0.007","8.168","0.004","90","","109.145","0.008","90","","925","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 Ni O8 S -","- C17 H18 N2 Ni O8 S -","- C34 H36 N4 Ni2 O16 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.028","0.027","","","0.0662","0.0668","","","","","","0.88","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201287","22.7084","0.0012","13.3203","0.0007","24.1383","0.0013","90","","92.821","0.001","90","","7292.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H71 N15 Ni2 O23 S -","- C67 H69 N15 Ni2 O23 S -","- C268 H276 N60 Ni8 O92 S4 -","4","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0698","0.0493","","","0.1246","0.1392","","","","","","0.996","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201288","13.463","0.003","14.09","0.003","21.268","0.004","90","","93.875","0.009","90","","4025.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H80 Co4 N16 O26 -","- C74 H80 Co4 N16 O26 -","- C148 H160 Co8 N32 O52 -","2","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.","Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers","CrystEngComm","2009","11","10","2117","","10.1039/b907546c","","","1.54178","CuKα","","0.0515","0.0459","","","0.1099","0.1145","","","","","","1.028","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201289","20.4504","0.0018","12.7826","0.0011","20.0563","0.0017","90","","105.455","0.002","90","","5053.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Co4 N12 O21 -","- C44 H36 Co4 N12 O21 -","- C176 H144 Co16 N48 O84 -","4","1","","Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.","Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers","CrystEngComm","2009","11","10","2117","","10.1039/b907546c","","","0.71073","MoKα","","0.0778","0.0554","","","0.1232","0.1369","","","","","","1.061","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201293","12.5784","0.0014","10.1347","0.0013","15.213","0.002","90","","97.987","0.002","90","","1920.5","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H33 Cd2 N10 O9.5 -","- C36 H33 Cd2 N10 O9.5 -","- C72 H66 Cd4 N20 O19 -","2","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.073","0.0504","","","0.1297","0.1503","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201294","9.5794","0.0009","11.4726","0.001","11.6041","0.001","79.982","0.001","66.818","0.001","76.132","0.001","1133.62","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N5 O6 -","- C22 H25 Co N5 O6 -","- C44 H50 Co2 N10 O12 -","2","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0312","0.0276","","","0.0745","0.0771","","","","","","1.005","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201295","11.649","0.011","21.52","0.02","8.848","0.008","90","","109.956","0.014","90","","2085","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0457","0.0316","","","0.0717","0.0761","","","","","","1.001","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201296","10.073","0.003","9.332","0.003","22.377","0.007","90","","93.215","0.004","90","","2100.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Co N5 O5 -","- C22 H23 Co N5 O5 -","- C88 H92 Co4 N20 O20 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0575","0.0347","","","0.0738","0.0866","","","","","","1.058","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201297","11.8776","0.001","16.398","0.002","18.445","0.002","66.556","0.001","76.34","0.002","70.059","0.002","3077.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H59 Cd4 N15 O21 -","- C58 H59 Cd4 N15 O21 -","- C116 H118 Cd8 N30 O42 -","2","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0568","0.0336","","","0.0775","0.0962","","","","","","1.016","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201298","9.588","0.001","26.647","0.003","14.405","0.002","90","","90","","90","","3680.4","0.8","298","2","298","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cd N5 O6 -","- C16 H20 Cd N5 O6 -","- C128 H160 Cd8 N40 O48 -","8","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0839","0.0534","","","0.1161","0.1261","","","","","","1.162","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201299","14.2332","0.0015","17.1597","0.0018","8.6468","0.001","90","","102.428","0.002","90","","2062.4","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0559","0.0461","","","0.118","0.1287","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201301","6.6807","0.0001","13.2318","0.0002","19.327","0.0003","100.308","0.001","95.579","0.001","96.954","0.001","1656.11","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd3 Cl4 O20 P4 -","- C15 H28 Cd3 Cl4 O20 P4 -","- C30 H56 Cd6 Cl8 O40 P8 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0231","0.0197","","","0.0461","0.0476","","","","","","1.005","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201302","5.8432","0.0001","9.2266","0.0002","18.6853","0.0005","90","","91.103","0.001","90","","1007.19","0.04","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Cd Cl2 O10 P2 -","- C13 H18 Cd Cl2 O10 P2 -","- C26 H36 Cd2 Cl4 O20 P4 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0201","0.0198","","","0.0499","0.0502","","","","","","1.035","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201303","31.2205","0.0003","10.1546","0.0001","11.651","0.0001","90","","103.107","0.001","90","","3597.51","0.06","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H21 Cd1.5 Cl2 O13 P2 -","- C4.5 H21 Cd1.5 Cl2 O13 P2 -","- C36 H168 Cd12 Cl16 O104 P16 -","8","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0283","0.0245","","","0.0575","0.0592","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201304","8.0891","0.0012","9.4027","0.0009","10.1213","0.0011","114.699","0.011","103.187","0.009","101.465","0.009","642.21","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Co N2 O5 -","- C15 H11 Co N2 O5 -","- C30 H22 Co2 N4 O10 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0868","0.054","","","0.0731","0.0811","","","","","","1.127","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201305","9.0734","0.0004","9.5955","0.0007","10.1366","0.0007","93.025","0.006","113.334","0.005","106.25","0.004","764.46","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0677","0.0427","","","0.0823","0.0891","","","","","","1.028","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201306","8.9901","0.0014","9.5945","0.0009","10.2763","0.0012","96.211","0.007","114.225","0.012","105.727","0.012","753.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N8 O10 -","- C30 H24 Co N8 O10 -","- C30 H24 Co N8 O10 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0572","0.0433","","","0.0979","0.1035","","","","","","1.104","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201307","9.3705","0.001","11.4792","0.0013","11.6886","0.0009","60.996","0.008","66.612","0.008","66.832","0.008","977.13","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Co N2 O10 -","- C17 H13 Co N2 O10 -","- C34 H26 Co2 N4 O20 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.1019","0.0723","","","0.2005","0.2283","","","","","","1.072","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201308","18.4826","0.0009","19.7996","0.001","19.8862","0.001","98.04","0.002","106.87","0.002","108.149","0.002","6402","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Cd Cl3 N8 O7 -","- C44 H35 Cd Cl3 N8 O7 -","- C264 H210 Cd6 Cl18 N48 O42 -","6","3","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Adding the second dimension with cadmium: two-dimensional sheets assembled from cadmium(ii) and 4′-phenyl-4,2′:6′,4′′-terpyridine and locked by π-stacked interactions","CrystEngComm","2009","11","11","2279","","10.1039/b907918a","","","0.71073","MoKα","","0.0628","0.0448","","0.0733","0.0458","0.0415","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201309","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((CH3)4N) Nd (C12H8N2)2 (C28H20S4O16) 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.999 O16 S4 -","- C224 H128 N20 Nd3.996 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.086","0.0691","","","0.212","0.2238","","","","","","1.084","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201310","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","185","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((C2H5)4N) Eu (C12H8N2)2 (C28H20S4O16) 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O16 S4 -","- C240 H128 Eu4 N20 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.078","0.0629","","","0.2064","0.2178","","","","","","1.168","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201311","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(CH3)4N] Nd [C12H8N2]2 [C28H20S4O16] 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.998 O19.5 S4 -","- C224 H128 N20 Nd3.992 O78 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1514","0.1259","","","0.3533","0.3685","","","","","","1.135","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201312","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","184","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(C2H5)4N] Eu [C12H8N2]2 [C28H20S4O16] 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O21 S4 -","- C240 H128 Eu4 N20 O84 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1129","0.0926","","","0.3401","0.3644","","","","","","1.551","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201314","8.7682","0.0012","22.742","0.003","14.533","0.002","90","","91.819","0.002","90","","2896.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 N18 O10 Zn -","- C56 H64 N18 O10 Zn -","- C112 H128 N36 O20 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0679","0.0581","","","0.1227","0.1279","","","","","","1.152","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201315","12.618","0.004","13.076","0.004","8.739","0.003","90","","106.414","0.004","90","","1383.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N14 Zn -","- C28 H28 N14 Zn -","- C56 H56 N28 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0492","0.0312","","","0.0697","0.0735","","","","","","1.065","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201316","9.5576","0.0005","16.9548","0.001","9.6533","0.0005","90","","98.63","0.003","90","","1546.58","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N10 S2 Zn -","- C30 H28 N10 S2 Zn -","- C60 H56 N20 S4 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0739","0.0632","","","0.2025","0.2069","","","","","","1.195","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201317","22.9263","0.0011","6.4164","0.0004","20.1881","0.001","90","","109.039","0.003","90","","2807.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H38 N8 Na2 O19 -","- C10 H38 N8 Na2 O19 -","- C40 H152 N32 Na8 O76 -","4","1","","Gilroy, Joe B.; Lemaire, Martin T.; Patrick, Brian O.; Hicks, Robin G.","Structure and magnetism of a verdazyl radical clathrate hydrate. Strong intermolecular magnetic interactions derived from π-stacking within ice-like channels","CrystEngComm","2009","11","10","2180","","10.1039/b908520c","","","0.71073","MoKα","","0.1006","0.0467","","","0.0959","0.115","","","","","","1.009","","","","has coordinates","273632","2022-03-11","01:09:36",""
"7201325","9.2614","0.0004","16.7417","0.001","19.954","0.002","87.376","0.002","85.775","0.001","80.512","0.001","3041.5","0.4","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 Cl6 O10 S26 -","- C42 H24 Cl6 O10 S26 -","- C84 H48 Cl12 O20 S52 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0732","","","","0.0596","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201326","20.145","0.005","7.6851","0.0016","10.8017","0.0005","90","","98.2929","0.0009","90","","1654.8","0.5","294.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H8 Cl6 O10 S10 -","- C22 H8 Cl6 O10 S10 -","- C44 H16 Cl12 O20 S20 -","2","0.25","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.065","","","","0.0527","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201327","10.091","0.003","24.04","0.003","11.305","0.002","90","","94.129","0.019","90","","2735.3","1","295.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 Cl3 O5 P S -","- C30 H20 Cl3 O5 P S -","- C120 H80 Cl12 O20 P4 S4 -","4","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0482","","","","0.0601","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201328","11.189","0.004","11.313","0.002","12.325","0.003","101.365","0.01","96.986","0.004","109.968","0.0018","1407","0.7","295.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl3 O5 P S -","- C30 H22 Cl3 O5 P S -","- C60 H44 Cl6 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0693","","","","0.0547","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201329","8.164","0.002","9.5175","0.0013","11.0589","0.0013","79.876","0.004","80.3547","0.0009","88.6647","0.0012","833.9","0.3","295.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 Cl3 O5 S5 -","- C12 H4 Cl3 O5 S5 -","- C24 H8 Cl6 O10 S10 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0683","","","","0.0542","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201330","10.73","0.007","6.88","0.004","23.28","0.015","90","","90","","90","","1718.6","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Ag N7 O3 -","- C18 H12 Ag N7 O3 -","- C72 H48 Ag4 N28 O12 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0606","0.0502","","","0.1378","0.1492","","","","","","0.976","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201331","9.116","0.003","29.567","0.009","21.28","0.006","90","","108.425","0.012","90","","5442","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Ag2 N8 O9 P2 -","- C54 H44 Ag2 N8 O9 P2 -","- C216 H176 Ag8 N32 O36 P8 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0923","0.0693","","","0.1707","0.1864","","","","","","1.14","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201332","12.021","0.003","13.251","0.005","15.09","0.005","78.14","0.02","66.925","0.014","63.551","0.012","1978.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Ag4 N16 O9 -","- C37 H24 Ag4 N16 O9 -","- C74 H48 Ag8 N32 O18 -","2","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.036","0.0319","","","0.0813","0.0839","","","","","","1.065","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201333","7.747","0.005","11.305","0.005","14.063","0.005","102.087","0.005","96.866","0.005","91.748","0.005","1193.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24.5 Cl3 Cu N4 O4.75 -","- C20 H21 Cl3 Cu N4 O4.75 -","- C40 H42 Cl6 Cu2 N8 O9.5 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0419","0.0394","","","0.1064","0.1083","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201334","11.09","0.002","8.0686","0.0016","21.934","0.004","90","","90","","90","","1962.7","0.6","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Cu N4 O2 -","- C20 H18 Cl2 Cu N4 O2 -","- C80 H72 Cl8 Cu4 N16 O8 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0349","0.0316","","","0.0719","0.0733","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201335","8.175","0.003","8.646","0.003","16.128","0.006","95.35","0.03","99.39","0.03","108.48","0.02","1053.8","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Cu N4 O2 -","- C21 H20 Cl2 Cu N4 O2 -","- C42 H40 Cl4 Cu2 N8 O4 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0389","0.0369","","","0.1002","0.102","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201336","8.6108","0.0009","14.2027","0.0013","15.6746","0.0014","88.347","0.007","78.786","0.008","78.373","0.008","1841.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 Cu N4 O -","- C20 H16 Cl2 Cu N4 O -","- C80 H64 Cl8 Cu4 N16 O4 -","4","2","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0324","0.0303","","","0.079","0.0802","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201337","8.3335","0.0015","15.501","0.003","15.448","0.003","90","","90.173","0.015","90","","1995.5","0.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl2 Cu N4 O -","- C21 H18 Cl2 Cu N4 O -","- C84 H72 Cl8 Cu4 N16 O4 -","4","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.043","0.0382","","","0.1006","0.104","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201338","11.894","0.002","13.086","0.003","14.509","0.003","108.38","0.03","105.6","0.03","96.33","0.03","2016.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","1","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0985","0.0789","","","0.1946","0.2082","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201339","7.7958","0.0016","11.045","0.002","13.785","0.003","88.48","0.03","85.04","0.03","88.29","0.03","1181.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl3 Cu N4 O4 -","- C20 H21 Cl3 Cu N4 O4 -","- C40 H42 Cl6 Cu2 N8 O8 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0693","0.0647","","","0.1722","0.1775","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201340","25.187","0.004","10.8273","0.0017","21.822","0.003","90","","93.36","0.01","90","","5940.8","1.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C240 H192 Cu12 N72 O84 -","12","3","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0987","0.076","","0.1381","0.0819","0.0819","","","","","","1.0047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201343","9.475","0.0019","10.6","0.002","13.314","0.004","90","","129.625","0.019","90","","1030","0.5","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C8 H27 Al B5 F N6 O10 Zn -","- C8 H27 Al B5 F N6 O10 Zn -","- C16 H54 Al2 B10 F2 N12 O20 Zn2 -","2","1","","Zhou, Jian; Zheng, Shou-Tian; Zhang, Mingyi; Liu, Guang-Zhen; Yang, Guo-Yu","A new layered aluminoborate [Zn(dien)2][{Al(OH)}{B5O9F}] templated by transition metal complexes","CrystEngComm","2009","11","12","2597","","10.1039/b909693k","","","0.71073","MoKα","","0.0785","0.0652","","","0.1743","0.1889","","","","","","1.015","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201344","29.411","0.01","29.411","0.01","8.116","0.003","90","","90","","120","","6080","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H12 In N O8 -","- C8 H12 In N O8 -","- C144 H216 In18 N18 O144 -","18","1","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0667","0.0462","","","0.0994","0.1078","","","","","","1.088","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201345","27.652","0.005","27.652","0.005","20.028","0.009","90","","90","","120","","13262","7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C16 H16 In2 O19 S2 -","- C16 H12 In2 O19 S2.003 -","- C288 H216 In36 O342 S36.054 -","18","0.5","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0658","0.06","","","0.1757","0.182","","","","","","1.074","","","","has coordinates,has disorder","180344","2020-10-21","18:00:00",""
"7201346","14.8041","0.0009","10.8197","0.0004","16.0239","0.0008","90","","110.092","0.006","90","","2410.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cd3 N4 O16 -","- C18 H22 Cd3 N4 O16 -","- C72 H88 Cd12 N16 O64 -","4","0.5","","Liu, Yong-Ru; Li, Lei; Yang, Tao; Yu, Xing-Wen; Su, Cheng-Yong","Dehydration and rehydration behavior of a trinodal topological 3-D framework of Cd(II) benzimidazole-5,6-dicarboxylate","CrystEngComm","2009","11","12","2712","","10.1039/b909772d","","","0.71073","MoKα","","0.0613","0.0377","","","0.0596","0.0627","","","","","","1.009","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201347","14.319","0.003","11.0272","0.0016","16.0721","0.0018","90","","109.962","0.017","90","","2385.3","0.7","333","2","333","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd3 N4 O14 -","- C18 H18 Cd3 N4 O14 -","- C72 H72 Cd12 N16 O56 -","4","0.5","","Liu, Yong-Ru; Li, Lei; Yang, Tao; Yu, Xing-Wen; Su, Cheng-Yong","Dehydration and rehydration behavior of a trinodal topological 3-D framework of Cd(II) benzimidazole-5,6-dicarboxylate","CrystEngComm","2009","11","12","2712","","10.1039/b909772d","","","0.71073","MoKα","","0.1347","0.0733","","","0.1436","0.1626","","","","","","1.003","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201398","10.2001","0.0006","10.4146","0.0006","10.7531","0.0007","111.736","0.001","117.78","0.001","92.027","0.001","908.23","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H50 O22 Sm2 -","- C24 H30 O19 Sm2 -","- C24 H30 O19 Sm2 -","1","0.5","","Lü, Jian; Bi, Wen-Hua; Cao, Rong","Observation of the least stable conformer of 1,4-cyclohexanedicarboxylic anions in a samarium coordination architecture","CrystEngComm","2009","11","11","2248","","10.1039/b909821f","","","0.71073","MoKα","","0.0631","0.0548","","","0.1343","0.1428","","","","","","1.056","","","","has coordinates,has disorder","180344","2020-10-21","18:00:00",""
"7201400","20.622","0.004","7.3581","0.0015","21.626","0.004","90","","103.42","0.03","90","","3191.9","1.1","153","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 S -","- C18 H17 N3 S -","- C144 H136 N24 S8 -","8","2","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","0.71073","MoKα","","0.1081","0.0394","","","0.0856","0.1016","","","","","","0.905","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201401","18.946","0.004","8.8906","0.0018","20.698","0.004","90","","104.51","0.03","90","","3375.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 N6 O S2 -","- C37 H34 N6 O S2 -","- C148 H136 N24 O4 S8 -","4","0.5","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","0.71073","MoKα","","0.0625","0.0531","","","0.1319","0.1371","","","","","","1.146","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201402","16.458","0.005","6.0708","0.0004","21.095","0.0012","90","","90","","90","","2107.7","0.7","293","2","293","2","","","280000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.082","0.0684","","","0.1611","0.1696","","","","","","1.204","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201403","16.169","0.004","6.0038","0.0016","20.971","0.004","90","","90","","90","","2035.8","0.8","293","2","293","2","","","590000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0694","0.0616","","","0.1475","0.153","","","","","","1.026","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201404","7.898","0.002","7.84","0.003","8.043","0.002","90","","95.553","0.014","90","","495.7","0.3","293","2","293","2","","","800000","","","","","6","P 1 21/c 1","-P 2ybc","14","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C8 H4 Br4 Cl4 F4 O8 -","4","1","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0589","0.0575","","","0.1732","0.1751","","","","","","1.203","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201405","7.73","0.003","7.685","0.003","7.997","0.002","90","","95.74","0.02","90","","472.7","0.3","293","2","293","2","","","1370000","","","","","6","P 1 21/c 1","-P 2ybc","14","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C8 H4 Br4 Cl4 F4 O8 -","4","1","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0467","0.0443","","","0.1173","0.1201","","","","","","1.173","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201406","15.274","0.004","5.8537","0.0003","20.7562","0.0012","90","","90","","90","","1855.8","0.5","293","2","293","2","","","1930000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.1144","0.1076","","","0.2752","0.2815","","","","","","1.241","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201407","11.0197","0.0001","11.501","0.0002","35.2773","0.0005","89.1256","0.0004","85.2348","0.0005","70.0039","0.0006","4186.5","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 Fe O14 S40 -","- C57 H42 Cl2 Fe O14 S40 -","- C114 H84 Cl4 Fe2 O28 S80 -","2","1","","Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun","Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","CrystEngComm","2009","11","11","2523","","10.1039/b910483f","","","0.71073","MoKα","","0.0869","0.0414","","","0.0898","0.0987","","","","","","0.936","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201408","11.148","0.0001","11.55","0.0001","35.312","0.0006","89.3682","0.0004","85.1561","0.0005","70.333","0.0007","4265.49","0.09","290","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 Fe O14 S40 -","- C57 H40 Cl2 Fe O14 S40 -","- C114 H80 Cl4 Fe2 O28 S80 -","2","1","","Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun","Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","CrystEngComm","2009","11","11","2523","","10.1039/b910483f","","","0.71073","MoKα","","0.1256","0.0474","","","0.09","0.1045","","","","","","0.898","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201409","8.747","0.0017","26.028","0.005","15.665","0.003","90","","104.07","0.03","90","","3459.4","1.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Co Cr K N3 O18 -","- C28 H33 Co Cr K N3 O18 -","- C112 H132 Co4 Cr4 K4 N12 O72 -","4","1","","Coronado, Eugenio; Galán-Mascarós, José R.; Martí-Gastaldo, Carlos","Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets","CrystEngComm","2009","11","10","2143","","10.1039/b910490a","","","0.71073","MoKα","","0.1552","0.0764","","","0.1768","0.2322","","","","","","1.026","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201410","8.819","0.0018","26.198","0.005","15.739","0.003","90","","103.39","0.03","90","","3537.5","1.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Co Fe K N3 O18 -","- C28 H33 Co Fe K N3 O18 -","- C112 H132 Co4 Fe4 K4 N12 O72 -","4","1","","Coronado, Eugenio; Galán-Mascarós, José R.; Martí-Gastaldo, Carlos","Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets","CrystEngComm","2009","11","10","2143","","10.1039/b910490a","","","0.71073","MoKα","","0.0987","0.0613","","","0.1551","0.1777","","","","","","1.034","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201411","17.2848","0.0006","17.2848","0.0006","19.256","0.0011","90","","90","","120","","4982.2","0.4","120","2","120","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C144 H228 Cu6 Mo12 N24 O114 Te2 -","2","0.166667","","Ali, Mahammad; Dutta, Daipayan; Biswas, Surajit; Marek, Jaromir; Jana, Atish Dipankar","The first crystallographic observation of up to the third hydration layer of Cu(II) ion in an unusual ‘water-cation layer’ templated by an Anderson polyoxometallate","CrystEngComm","2009","11","12","2608","","10.1039/b910732k","","","0.71073","MoKα","","0.064","0.0554","","","0.1312","0.1351","","","","","","1.152","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201414","8.5529","0.0002","20.5796","0.0005","11.9813","0.0002","90","","96.594","0.001","90","","2094.94","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","- C96 H68 N12 O16 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0984","0.05","","","0.1291","0.1512","","","","","","1.044","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201415","8.7635","0.0006","11.8723","0.0009","12.1962","0.0014","116.061","0.006","95.775","0.006","107.994","0.004","1041.85","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0855","0.0588","","","0.1627","0.1837","","","","","","1.062","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201416","9.3","0.0003","12.2201","0.0004","12.98","0.0005","97.639","0.002","90.821","0.003","99.932","0.002","1439.09","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H49 N7 O8 -","- C73 H49 N7 O8 -","- C73 H49 N7 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.1123","0.0532","","","0.1289","0.1561","","","","","","1.03","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201417","7.2585","0.0004","8.3289","0.0005","15.4654","0.0009","96.907","0.003","102.363","0.003","97.388","0.003","895.1","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N5 O8 -","- C43 H29 N5 O8 -","- C43 H29 N5 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0871","0.0517","","","0.1456","0.1697","","","","","","1.066","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201418","16.228","0.003","15.687","0.003","18.544","0.003","90","","108.182","0.009","90","","4485","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","- C220 H140 N20 O32 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.2006","0.0911","","","0.2657","0.3535","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201419","7.5934","0.0005","9.385","0.0007","15.9125","0.0011","101.006","0.004","98.361","0.004","95.64","0.004","1091.99","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0875","0.049","","","0.1131","0.1321","","","","","","1.018","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201420","11.7112","0.0012","13.2845","0.0013","13.5924","0.0014","64.22","0.002","83.998","0.002","67.818","0.002","1758.8","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H46 La2 N10 O12 -","- C84 H46 La2 N10 O12 -","- C84 H46 La2 N10 O12 -","1","0.5","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0326","0.0266","","","0.061","0.0642","","","","","","1.044","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201421","11.6678","0.0018","13.1906","0.0017","13.541","0.002","64.14","0.005","83.693","0.008","67.911","0.006","1734","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H23 N5 O6 Pr -","- C42 H23 N5 O6 Pr -","- C84 H46 N10 O12 Pr2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.7107","MoKα","","0.0399","0.0335","","","0.0639","0.0673","","","","","","1.05","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201422","18.235","0.004","17.42","0.003","28.42","0.009","90","","124.02","0.02","90","","7483","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 Gd4 N8 O28 -","- C80 H60 Gd4 N8 O28 -","- C320 H240 Gd16 N32 O112 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0908","0.074","","","0.1232","0.1318","","","","","","1.192","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201423","18.275","0.002","8.778","0.001","23.746","0.003","90","","95.529","0.002","90","","3791.6","0.8","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H30 N4 O14 Tb2 -","- C40 H30 N4 O14 Tb2 -","- C160 H120 N16 O56 Tb8 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.1008","0.0441","","","0.0782","0.095","","","","","","0.954","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201424","18.145","0.004","8.6821","0.0017","23.527","0.005","90","","95.47","0.03","90","","3689.5","1.4","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H30 N4 O14 Yb2 -","- C40 H30 N4 O14 Yb2 -","- C160 H120 N16 O56 Yb8 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0387","0.0369","","","0.0943","0.0962","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201425","7.871","0.0003","13.117","0.0005","14.7856","0.0005","82.907","0.002","78.582","0.002","83.523","0.002","1478.72","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na O10 Pr -","- C32 H22 N3 Na O10 Pr -","- C64 H44 N6 Na2 O20 Pr2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0483","0.0472","","","0.123","0.1236","","","","","","1.186","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201426","7.7605","0.0011","13.037","0.002","14.738","0.002","82.568","0.008","78.735","0.01","83.762","0.01","1444.7","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na Nd O10 -","- C32 H22 N3 Na Nd O10 -","- C64 H44 N6 Na2 Nd2 O20 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.7107","MoKα","","0.0336","0.0303","","","0.0918","0.0928","","","","","","1.274","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201427","7.779","0.0001","12.9907","0.0002","14.6997","0.0002","83.551","0.001","79.421","0.001","82.953","0.001","1443.04","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na O10 Y -","- C32 H22 N3 Na O10 Y -","- C64 H44 N6 Na2 O20 Y2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0383","0.031","","","0.0714","0.0745","","","","","","1.019","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201428","8.291","0.0006","15.3993","0.0012","28.362","0.003","90","","91.027","0.006","90","","3620.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Fe N10 O11.5 -","- C31 H39 Fe N10 O11.5 -","- C124 H156 Fe4 N40 O46 -","4","1","","Coronado, Eugenio; Giménez-López, M. Carmen; Giménez-Saiz, Carlos; Romero, Francisco M.","Spin crossover complexes as building units of hydrogen-bonded nanoporous structures","CrystEngComm","2009","11","10","2198","","10.1039/b911137a","","","0.71073","MoKα","","0.1354","0.0482","","","0.0673","0.0779","","","","","","0.729","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201429","5.567","0.0007","8.5723","0.001","8.8394","0.0011","71.139","0.002","73.078","0.002","86.534","0.002","381.64","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.026","0.026","","","0.0665","0.0665","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201430","7.0295","0.0002","8.2438","0.0002","8.7676","0.0002","82.81","","70.63","","66.07","","438.094","0.019","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N2 O2 U -","- C12 H14 Cl4 N2 O2 U -","- C12 H14 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0184","0.0183","","","0.0437","0.0437","","","","","","0.904","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201431","7","0.0002","8.1759","0.0002","8.4438","0.0002","81.59","","73.86","","66.8","","426.295","0.019","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 O2 U -","- C12 H12 Cl4 N2 O2 U -","- C12 H12 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0142","0.0142","","","0.0343","0.0343","","","","","","0.997","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201432","8.0673","0.0003","8.6337","0.0003","9.2526","0.0003","67.99","0.001","71.985","0.001","77.572","0.001","564.57","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl4 N2 O6 U -","- C16 H16 Cl4 N2 O6 U -","- C16 H16 Cl4 N2 O6 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0214","0.0212","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201433","12.837","0.0003","11.6971","0.0003","12.374","0.0003","90","","102.24","","90","","1815.79","0.08","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Cl4 N2 O2 U -","- C13 H16 Cl4 N2 O2 U -","- C52 H64 Cl16 N8 O8 U4 -","4","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.028","0.0167","","","0.0361","0.0402","","","","","","1.023","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201434","7.129","0.0004","9.9708","0.0005","11.4392","0.0006","71.309","0.001","72.594","0.001","77.249","0.001","727.92","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl6 N6 O4 U -","- C20 H22 Cl6 N6 O4 U -","- C20 H22 Cl6 N6 O4 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0155","0.0155","","","0.042","0.042","","","","","","1.077","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201435","7.023","0.0002","15.412","0.0004","13.4514","0.0003","90","","102.76","","90","","1420","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl6 N4 O4 U -","- C20 H20 Cl6 N4 O4 U -","- C40 H40 Cl12 N8 O8 U2 -","2","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0263","0.019","","","0.0472","0.0508","","","","","","0.962","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201436","16.962","0.003","7.9204","0.0016","25.187","0.005","90","","105.45","0.03","90","","3261.5","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N2 O8 -","- C41 H30 N2 O8 -","- C164 H120 N8 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines","CrystEngComm","2009","11","11","2277","","10.1039/b911506d","","","0.71073","MoKα","","0.0579","0.0519","","","0.1275","0.1315","","","","","","1.096","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201437","17.02","0.003","7.9746","0.0016","24.621","0.005","90","","104.15","0.03","90","","3240.4","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 N4 O8 -","- C39 H28 N4 O8 -","- C156 H112 N16 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines","CrystEngComm","2009","11","11","2277","","10.1039/b911506d","","","0.71073","MoKα","","0.0998","0.0714","","","0.1356","0.1464","","","","","","1.175","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201441","26.02","0.006","7.128","0.002","11.941","0.006","90","","100.79","0.02","90","","2175.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Br N5 O -","- C9 H10 Br N5 O -","- C72 H80 Br8 N40 O8 -","8","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0476","0.04","","","0.1044","0.1096","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201442","12.9852","0.0016","24.937","0.002","8.9006","0.0012","90","","104.745","0.016","90","","2787.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C72 H80 F48 N40 O8 P8 -","8","2","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0609","0.0432","","","0.1078","0.1181","","","","","","1.032","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201443","13.887","0.0004","7.1595","0.0002","11.3891","0.0004","90","","99.505","0.001","90","","1116.8","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N6 O4 -","- C9 H10 N6 O4 -","- C36 H40 N24 O16 -","4","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0435","0.0375","","","0.1061","0.1114","","","","","","1.058","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201444","15.0019","0.0017","5.3086","0.0006","15.7979","0.0017","90","","112.159","0.002","90","","1165.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F4 N5 O -","- C9 H10 B F4 N5 O -","- C36 H40 B4 F16 N20 O4 -","4","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.06","0.0433","","","0.0943","0.1008","","","","","","0.976","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201445","32.418","0.003","9.5238","0.0008","15.9371","0.0016","90","","118.442","0.005","90","","4326.6","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N6 Ni O2 S2 -","- C22 H17 N6 Ni O2 S2 -","- C176 H136 N48 Ni8 O16 S16 -","8","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko","Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules","CrystEngComm","2009","11","11","2251","","10.1039/b911849g","","x-ray","0.71069","MoKα","","0.1617","0.0592","","","0.0997","0.14","","","","","","0.846","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201446","7.9523","0.0006","10.9632","0.0006","16.9567","0.001","90.564","0.004","65.422","0.003","56.997","0.009","1071.9","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 N6 Ni O3 S2 -","- C21 H16 N6 Ni O3 S2 -","- C42 H32 N12 Ni2 O6 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko","Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules","CrystEngComm","2009","11","11","2251","","10.1039/b911849g","","x-ray","0.71069","MoKα","","0.0782","0.043","","","0.1096","0.1336","","","","","","1.046","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201449","9.2844","0.0011","20.105","0.002","7.6606","0.0009","90","","100.057","0.002","90","","1408","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N6 O12 Zn2 -","- C28 H24 N6 O12 Zn2 -","- C56 H48 N12 O24 Zn4 -","2","0.5","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0351","0.0285","","","0.0714","0.0747","","","","","","1.061","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201450","11.182","0.002","12.088","0.002","13.495","0.003","97.61","0.03","97.61","0.03","116.83","0.03","1574.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu2 N6 O13 -","- C28 H26 Cu2 N6 O13 -","- C56 H52 Cu4 N12 O26 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.1342","0.0722","","","0.1138","0.1331","","","","","","1.046","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201451","10.951","0.002","19.019","0.004","26.714","0.005","90","","90","","90","","5563.9","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N5 O10 Zn -","- C28 H28 N5 O10 Zn -","- C224 H224 N40 O80 Zn8 -","8","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0671","0.0541","","","0.1221","0.129","","","","","","1.129","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201452","10.328","0.002","26.647","0.005","10.672","0.002","90","","107.89","0.03","90","","2795","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N6 O10 Zn -","- C27 H27 N6 O10 Zn -","- C108 H108 N24 O40 Zn4 -","4","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0899","0.0732","","","0.1715","0.1821","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201453","10.3969","0.0019","26.575","0.005","10.705","0.002","90","","108.183","0.003","90","","2810.1","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cu N6 O10 -","- C27 H27 Cu N6 O10 -","- C108 H108 Cu4 N24 O40 -","4","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.1134","0.0541","","","0.1207","0.1451","","","","","","1.004","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201454","7.0457","0.0014","18.245","0.004","12.884","0.003","90","","98.89","0.03","90","","1636.3","0.6","113","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu2 N8 O18 -","- C28 H26 Cu2 N8 O18 -","- C56 H52 Cu4 N16 O36 -","2","0.5","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0705","0.054","","","0.1057","0.1129","","","","","","1.089","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201455","7.7443","0.0015","10.237","0.002","11.806","0.002","104.08","0.03","102.11","0.03","93.61","0.03","881.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cd N4 O6 -","- C18 H14 Cd N4 O6 -","- C36 H28 Cd2 N8 O12 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.043","0.0339","","","0.0935","0.1383","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201456","7.3378","0.0015","10.694","0.002","11.744","0.002","114.24","0.03","103.29","0.03","93.4","0.03","805.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N4 O6 -","- C16 H14 Cd N4 O6 -","- C32 H28 Cd2 N8 O12 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0223","0.0204","","","0.0529","0.0535","","","","","","1.025","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201457","15.679","0.004","12.699","0.003","8.932","0.002","90","","90","","90","","1778.4","0.7","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.71073","MoKα","","0.0685","0.0582","","0.124","0.1215","0.124","","","","","","0.9563","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201458","15.6012","0.0009","12.5198","0.0003","8.8557","0.0002","90","","90","","90","","1729.73","0.11","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0454","0.0305","","0.0446","0.0436","0.0446","","","","","","1.4785","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201459","15.4344","0.0018","12.3617","0.0006","8.7439","0.0004","90","","90","","90","","1668.3","0.2","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0453","0.0307","","0.0448","0.0438","0.0448","","","","","","1.5406","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201460","15.0833","0.0011","12.1396","0.0003","8.7075","0.0003","90","","90","","90","","1594.39","0.13","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0876","0.0751","","0.092","0.091","0.092","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201461","16.3031","0.0013","11.9204","0.0005","17.133","0.0008","90","","114.469","0.005","90","","3030.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cu4 N18 O16 -","- C18 H42 Cu4 N18 O16 -","- C72 H168 Cu16 N72 O64 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.1113","0.0722","","0.0772","0.0735","0.0772","","","","","","0.9864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201462","8.5563","0.0011","11.8407","0.0015","16.475","0.002","90","","98.639","0.002","90","","1650.2","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 S6 -","- C16 H8 S6 -","- C64 H32 S24 -","4","1","","Lu, Kun; Liu, Yunqi; Di, Chong-an; Du, Chunyan; Ye, Shanghui; Wu, Ti; Liu, Hongtao; Xu, Xudong; Yu, Gui","Unusual tubular organization with crystal stacks from a new cyclic thiophene compound,","CrystEngComm","2009","11","11","2288","","10.1039/b913254f","","","0.71073","MoKα","","0.0427","0.0294","","","0.0708","0.0783","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201464","28.665","0.003","5.402","0.007","10.882","0.006","90","","90","","90","","1685","2","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C14 H12 Ag N3 O9 -","- C14 H10 Ag N3 O9 -","- C56 H40 Ag4 N12 O36 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.2363","0.0697","","","0.0714","0.0972","","","","","","0.864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201465","7.58","0.005","7.627","0.005","17.111","0.005","92.062","0.005","97.578","0.005","118.434","0.005","856.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Ag2 N6 O20 -","- C28 H20 Ag2 N6 O20 -","- C28 H20 Ag2 N6 O20 -","1","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.3692","0.0569","","","0.0649","0.1149","","","","","","0.633","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201466","9.6316","0.0007","7.3983","0.0005","15.873","0.0014","90","","113.769","0.006","90","","1035.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 N4 Ni O8 -","- C12 H28 Cl2 N4 Ni O8 -","- C24 H56 Cl4 N8 Ni2 O16 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.1543","0.0695","","","0.1879","0.2429","","","","","","0.728","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201468","16.7937","0.0006","37.6395","0.0014","16.0278","0.0006","90","","90","","90","","10131.3","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C480 H416 N32 O64 Zn16 -","16","1","","Guo, Huadong; Qiu, Dongfang; Guo, Xianmin; Batten, Stuart R.; Zhang, Hongjie","An unusual 3D polycatenane motif generated by the 2D →2D parallel →3D parallel interpenetration of (4,4) sheets","CrystEngComm","2009","11","12","2611","","10.1039/b913747e","","","0.71073","MoKα","","0.0422","0.0332","","","0.0719","0.0756","","","","","","0.981","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201471","15.442","0.003","13.224","0.003","23.711","0.005","90","","107.445","0.002","90","","4619.2","1.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Mn2 N6 O8 S5 -","- C48 H36 Mn2 N6 O8 S5 -","- C192 H144 Mn8 N24 O32 S20 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Du, Miao","A novel 3D Mn(II) coordination polymer involving 4,4′-dipyridylsulfide and 4,4′-dipyridyltrisulfide obtained by in situ ligand formation from 4,4′-dipyridyldisulfide","CrystEngComm","2009","11","12","2593","","10.1039/b914827m","","","0.71073","MoKα","","0.0606","0.054","","","0.149","0.155","","","","","","1.055","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201478","9.7404","0.0004","12.4073","0.0006","16.2808","0.0008","93.956","0.001","103.214","0.001","97.771","0.001","1887.68","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N4 O9 Zn2 -","- C42 H32 N4 O9 Zn2 -","- C84 H64 N8 O18 Zn4 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.053","0.0379","","","0.1001","0.1073","","","","","","1.086","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201479","12.2627","0.0001","12.2627","0.0001","43.0285","0.0009","90","","90","","120","","5603.5","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C42 H30 Cd2 N4 O8 -","- C42 H30 Cd2 N4 O8 -","- C252 H180 Cd12 N24 O48 -","6","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0498","0.0355","","","0.0516","0.0551","","","","","","1.04","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201480","11.9785","0.0008","12.6636","0.0008","13.6303","0.0009","72.639","0.001","86.584","0.001","70.36","0.001","1856.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Cd N4 O8 Zn -","- C42 H30 Cd N4 O8 Zn -","- C84 H60 Cd2 N8 O16 Zn2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.05","0.0342","","","0.0714","0.0763","","","","","","1.054","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201481","5.9273","0.0012","26.321","0.005","17.508","0.004","90","","96.428","0.003","90","","2714.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 O8 S -","- C28 H26 Cd N4 O8 S -","- C112 H104 Cd4 N16 O32 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0404","0.0291","","","0.057","0.0595","","","","","","1.049","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201482","6.1615","0.0005","16.4514","0.0013","15.1503","0.0012","90","","99.433","0.001","90","","1514.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 Cd N4 O6 S -","- C34 H26 Cd N4 O6 S -","- C68 H52 Cd2 N8 O12 S2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0299","0.0266","","","0.0634","0.0655","","","","","","1.004","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201483","19.353","0.0014","9.9584","0.0007","21.0315","0.0015","90","","101.076","0.001","90","","3977.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cd N O8 S -","- C19 H16 Cd N O8 S -","- C152 H128 Cd8 N8 O64 S8 -","8","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0238","0.0213","","","0.0538","0.0549","","","","","","1.046","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201486","24.3284","","24.3005","","10.0656","","90.0089","","89.9894","","119.734","","5167.23","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201487","33.4703","","33.4703","","33.4703","","60","","60","","60","","26513.3","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201488","24.4663","","24.3965","","24.5397","","79.9602","","110.673","","144.948","","7689.44","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201489","34.9595","","34.9595","","14.5821","","90","","90","","120","","15434.1","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C216 H216 N144 Zn36 -","- C216 H216 N144 Zn36 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201490","21.6837","","21.7123","","21.6859","","101.82","","101.84","","126.45","","7312.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201491","9.9949","","15.3976","","15.18","","89.9998","","98.5469","","90.0003","","2310.22","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201492","32.1539","","32.1539","","32.1539","","60","","60","","60","","23506.4","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201493","9.6719","","24.1597","","24.3574","","89.9981","","90.0017","","90.0142","","5691.6","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201494","18.9633","","18.9628","","16.7727","","89.9997","","90","","89.9996","","6031.42","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201495","15.4231","","15.4042","","18.4379","","90.0004","","90.0018","","90.0007","","4380.49","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201496","16.8046","","16.7764","","16.8139","","112.854","","112.824","","103.417","","3594.27","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201497","14.2311","","14.3093","","14.2833","","107.216","","106.405","","107.155","","2427.12","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201498","14.7363","","14.7801","","14.764","","109.61","","109.469","","109.356","","2474.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201499","22.9134","","22.9102","","15.882","","90.1202","","90.0148","","119.949","","7223.99","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201500","17.9844","","17.9841","","18.0545","","97.2362","","97.2326","","138.559","","3611.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201501","24.89","0.02","8.368","0.008","22.23","0.02","90","","115.566","0.016","90","","4177","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Co N6 O10 -","- C48 H40 Co N6 O10 -","- C192 H160 Co4 N24 O40 -","4","0.5","","Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands","CrystEngComm","2008","10","1","111","","10.1039/b705987f","","","0.71073","MoKα","","0.125","0.065","","","0.1175","0.1389","","","","","","1.068","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201502","26.15","0.007","8.241","0.002","21.331","0.006","90","","119.933","0.004","90","","3983.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O8 Zn -","- C48 H36 N6 O8 Zn -","- C192 H144 N24 O32 Zn4 -","4","0.5","","Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands","CrystEngComm","2008","10","1","111","","10.1039/b705987f","","","0.71073","MoKα","","0.085","0.0475","","","0.0917","0.1038","","","","","","1.02","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201503","13.222","0.003","5.8829","0.0001","26.351","0.005","90","","114.443","0.009","90","","1866","0.6","313","2","313","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H26 N8 O9 Zn2 -","- C44 H26 N8 O9 Zn2 -","- C88 H52 N16 O18 Zn4 -","2","0.5","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0961","0.045","","","0.0833","0.0983","","","","","","0.963","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201504","13.6117","0.0018","14.957","0.002","18.604","0.003","90","","90","","90","","3787.6","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N4 O5 Zn -","- C22 H14 N4 O5 Zn -","- C176 H112 N32 O40 Zn8 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0827","0.0381","","","0.0838","0.1022","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201505","18.881","0.005","14.216","0.004","30.413","0.008","90","","104.35","0.004","90","","7909","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 N8 O10 Zn2 -","- C44 H28 N8 O10 Zn2 -","- C352 H224 N64 O80 Zn16 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1003","0.0448","","","0.0803","0.0964","","","","","","0.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201506","7.5573","0.0016","23.502","0.005","12.903","0.003","90","","106.473","0.004","90","","2197.7","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 O4 Zn -","- C26 H16 N4 O4 Zn -","- C104 H64 N16 O16 Zn4 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1059","0.0522","","","0.1144","0.1341","","","","","","1.027","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201507","16.767","0.003","8.2663","0.0016","19.495","0.004","90","","96.903","0.004","90","","2682.4","0.9","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N4 O5 Zn -","- C32 H20 N4 O5 Zn -","- C128 H80 N16 O20 Zn4 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1366","0.051","","","0.1072","0.1336","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201508","37.703","0.008","37.703","0.008","17.32","0.005","90","","90","","120","","21322","9","253","1","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C576 H324 N72 O180 Os54 -","18","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0538","","","","0.0648","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201509","12.955","0.005","12.955","0.005","19.352","0.006","90","","90","","90","","3248","2","253","1","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C128 H72 N16 O40 Os12 -","4","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0225","","","","0.0267","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201510","13.847","0.009","14.011","0.011","19.795","0.016","78.5","0.03","76.35","0.03","63.27","0.02","3314","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","C60*(ZnOEP2.BPy)0.5*CHCl3","","","- C204 H98 Cl6 N10 Zn2 -","- C204 H98 Cl6 N10 Zn2 -","- C204 H98 Cl6 N10 Zn2 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.1366","0.0917","","","0.2181","0.2453","","","","","","0.951","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201511","14.8555","0.0004","21.215","0.0007","24.2022","0.0006","90","","90","","90","","7627.6","0.4","100","2","100","2","","","","","","","","5","I 2 2 2","I 2 2","23","2(C60-)*(ZnOEP2.BPy)*2(TDAE+)*(C6H4Cl2)0.25*(C6H6)0.75","","","- C228 H149.5 Cl0.5 N18 Zn2 -","- C228 H149.504 Cl0.496 N18 Zn2 -","- C456 H299.008 Cl0.992 N36 Zn4 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.0571","0.0496","","","0.1401","0.1466","","","","","","1.077","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201512","14.14","0.002","7.3843","0.0011","10.2066","0.0015","90","","109.291","0.01","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Phenylcyclopentanecarboxamide","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0601","0.0459","","","0.1102","0.1184","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201513","13.8232","0.0019","6.1326","0.0008","26.176","0.004","90","","90","","90","","2219","0.5","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Phenylcyclohexanecarboxamide","","- C13 H17 N O -","- C13 H17 N O -","- C104 H136 N8 O8 -","8","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0567","0.0434","","","0.1058","0.1126","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201514","11.792","0.005","8.646","0.004","12.17","0.005","90","","111.51","0.007","90","","1154.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorophenyl)cyclohexanecarbocamide","","- C13 H16 F N O -","- C13 H16 F N O -","- C52 H64 F4 N4 O4 -","4","1","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0654","0.0436","","","0.109","0.1186","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201515","13.314","0.002","9.3311","0.0013","29.104","0.004","90","","90.109","0.01","90","","3615.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorophenyl)cyclohexanecarboxamide","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C156 H192 Cl12 N12 O12 -","12","3","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0737","0.0471","","","0.1339","0.1576","","","","","","0.662","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201516","8.9257","0.0013","10.8387","0.0016","13.7825","0.0019","69.877","0.01","87.223","0.011","82.095","0.011","1240.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Bromophenyl)cyclohexanecarboxamide","","- C13 H16 Br N O -","- C13 H16 Br N O -","- C52 H64 Br4 N4 O4 -","4","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0423","0.0319","","","0.088","0.0958","","","","","","0.668","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201517","7.464","0.0005","11.7638","0.0008","13.5851","0.0009","81.132","0.001","79.124","0.001","73.027","0.001","1114.14","0.13","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Cl Cu F N3 O7 -","- C22 H17 Cl Cu F N3 O7 -","- C44 H34 Cl2 Cu2 F2 N6 O14 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.044","0.0358","","","0.0811","0.0835","","","","","","0.951","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201518","8.4714","0.0007","20.2757","0.0017","13.3148","0.0011","90","","100.051","0.002","90","","2251.9","0.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl Cu F N3 O7 -","- C22 H17 Cl Cu F N3 O7 -","- C88 H68 Cl4 Cu4 F4 N12 O28 -","4","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.1111","0.0597","","","0.1146","0.1245","","","","","","0.946","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201519","7.359","0.001","12.348","0.001","13.87","0.002","87.08","0.01","81.66","0.01","78.55","0.01","1221.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(aqua(4,5-dichlorophthalato-O)(2,2':6',2''-terpyridine- N,N'N'')copper(ii)) three hydrate","[aqua(4,5-dichlorophthalato-O)(2,2':6',2""-terpyridine-N,N'N"")copper(II)] three hydrate","","- C23 H21 Cl2 Cu N3 O8 -","- C23 H21 Cl2 Cu N3 O8 -","- C46 H42 Cl4 Cu2 N6 O16 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.052","0.0369","","","0.0847","0.0922","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201520","7.3808","0.0006","32.937","0.003","13.1837","0.0011","90","","99.534","0.002","90","","3160.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Cl4 Cu N3 O10 -","- C31 H21 Cl4 Cu N3 O10 -","- C124 H84 Cl16 Cu4 N12 O40 -","4","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.1091","0.0546","","","0.0821","0.0914","","","","","","0.817","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201521","7.6704","0.0004","25.4797","0.0013","12.463","0.0007","90","","96.488","0.001","90","","2420.2","0.2","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H33 Cl Cu2 F8 N6 O18 -","- C46 H33 Cl Cu2 F8 N6 O18 -","- C92 H66 Cl2 Cu4 F16 N12 O36 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0502","0.0395","","","0.07","0.0725","","","","","","0.85","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201522","7.032","0.001","12.785","0.002","14.381","0.002","86.59","0.01","85.08","0.02","84.95","0.01","1281.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.6 H26.2 Cu N3 O8 -","- C27.6 H26.2 Cu N3 O8 -","- C55.2 H52.4 Cu2 N6 O16 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0609","0.0465","","","0.1198","0.1354","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201523","8.5511","0.0018","9.298","0.002","10.774","0.003","86.929","0.018","80.092","0.018","82.061","0.017","835.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","1,3-dimethylimidazolium methylsulfate (18-crown-6)","","","- C24 H48 N4 O14 S2 -","- C24 H48 N4 O14 S2 -","- C24 H48 N4 O14 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.0845","0.0621","","","0.1542","0.1682","","","","","","1.03","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201524","9.1227","0.0011","16.1877","0.0014","13.9387","0.0016","90","","98.028","0.01","90","","2038.2","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-butyl-3-methylimidazolium methylsulfate (18-crown-6)","","","- C30 H60 N4 O14 S2 -","- C30 H60 N4 O14 S2 -","- C60 H120 N8 O28 S4 -","2","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.0779","0.0612","","","0.1484","0.1591","","","","","","1.09","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201525","8.946","0.002","9.165","0.002","11.469","0.003","92.604","0.018","98.722","0.018","97.862","0.019","918.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","1-ethyl-3-methylimidazolium trifluoromethanesulfonate (18- crown-6)","","","- C26 H46 F6 N4 O12 S2 -","- C26 H46 F6 N4 O12 S2 -","- C26 H46 F6 N4 O12 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.1016","0.0612","","","0.108","0.1217","","","","","","1.066","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201526","8.751","0.005","9.126","0.004","11.357","0.006","97.26","0.04","97.99","0.04","97.76","0.04","880.2","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","1-ethyl-3-methylimidazolium methanesulfanate (18-crown-6)","","","- C26 H52 N4 O12 S2 -","- C26 H52 N4 O12 S2 -","- C26 H52 N4 O12 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.1172","0.0725","","","0.1454","0.1638","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201527","6.9077","0.0014","8.6625","0.0017","12.91","0.003","77.42","0.03","82.55","0.03","88.7","0.03","747.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.1445","0.1185","","","0.2837","0.3001","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201528","7.0775","0.0009","8.3612","0.0011","12.9536","0.0019","93.097","0.009","102.689","0.008","100.189","0.007","732.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0499","0.0316","","","0.0591","0.0627","","","","","","0.897","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201529","27.3366","0.0014","7.0801","0.0004","19.0097","0.001","90","","125.646","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C104 H80 Cl40 N8 O8 -","8","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0338","0.0258","","","0.0622","0.0663","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201530","5.4813","0.0003","11.4515","0.0006","12.7614","0.0007","68.164","0.003","82.613","0.003","83.03","0.002","735.02","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0362","0.0274","","","0.0708","0.0755","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201531","8.7761","0.0006","14.2399","0.001","23.7104","0.0017","90","","95.948","0.001","90","","2947.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl10 N2 O2 -","- C26 H20 Cl10 N2 O2 -","- C104 H80 Cl40 N8 O8 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0435","0.0309","","","0.0754","0.082","","","","","","1.047","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201532","8.6844","0.0016","13.449","0.003","12.804","0.002","90","","90.622","0.004","90","","1495.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C52 H40 Cl20 N4 O4 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0392","0.0295","","","0.075","0.0799","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201533","7.0199","0.0006","22.9038","0.0018","15.2538","0.0012","90","","90","","90","","2452.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H13 Cl10 N O3 -","- C19 H13 Cl10 N O3 -","- C76 H52 Cl40 N4 O12 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.038","0.0299","","","0.0619","0.0658","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201534","9.342","0.0005","11.5145","0.0007","12.2668","0.0008","94.367","0.004","104.227","0.003","107.084","0.003","1206.84","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl10 N O2 -","- C19 H11 Cl10 N O2 -","- C38 H22 Cl20 N2 O4 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0429","0.0308","","","0.0686","0.0747","","","","","","1.023","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201535","11.7771","0.0005","12.4154","0.0005","16.9","0.0007","76.399","0.002","86.657","0.002","85.458","0.002","2392.23","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl10 N O2 -","- C19 H11 Cl10 N O2 -","- C76 H44 Cl40 N4 O8 -","4","2","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0435","0.0309","","","0.0666","0.0722","","","","","","1.023","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201536","9.8207","0.0013","11.2083","0.001","11.8496","0.0011","62.435","0.01","77.407","0.013","71.735","0.012","1093.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N4 O4 Pb -","- C26 H16 N4 O4 Pb -","- C52 H32 N8 O8 Pb2 -","2","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.7107","MoKα","","0.033","0.029","","","0.065","0.0665","","","","","","1.081","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201537","15.152","0.003","12.764","0.002","22.213","0.004","90","","97.324","0.005","90","","4260.9","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Cu2 N2 O5 P2 -","- C50 H38 Cu2 N2 O5 P2 -","- C200 H152 Cu8 N8 O20 P8 -","4","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.2322","0.0541","","","0.0711","0.0928","","","","","","0.914","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201538","8.0104","0.0008","8.39","0.0008","16.5826","0.0017","101.017","0.002","96.913","0.001","93.629","0.001","1081.71","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O4 Zn -","- C24 H18 N4 O4 Zn -","- C48 H36 N8 O8 Zn2 -","2","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0833","0.0532","","","0.1164","0.1398","","","","","","0.985","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201539","5.5357","0.0008","24.334","0.003","6.075","0.0008","90","","116.127","0.002","90","","734.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Cd N2 O6 -","- C14 H8 Cd N2 O6 -","- C28 H16 Cd2 N4 O12 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1054","0.0933","","","0.2446","0.2537","","","","","","1.289","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201540","6.0885","0.0013","9.586","0.002","13.926","0.003","92.253","0.004","90.182","0.004","102.491","0.004","792.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Co N6 O6 -","- C34 H32 Co N6 O6 -","- C34 H32 Co N6 O6 -","1","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1298","0.0572","","","0.0886","0.1003","","","","","","0.991","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201541","9.7462","0.0017","19.627","0.003","10.3287","0.0018","90","","100.361","0.003","90","","1943.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C64 H56 N8 O20 Zn4 -","4","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0864","0.08","","","0.2358","0.2513","","","","","","1.107","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201542","10.3958","0.0013","11.317","0.0015","11.5539","0.0015","91.235","0.003","92.032","0.003","113.549","0.003","1244.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 Co3 N8 O12 -","- C56 H38 Co3 N8 O12 -","- C56 H38 Co3 N8 O12 -","1","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1134","0.0534","","","0.1104","0.1347","","","","","","1.021","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201543","16.6386","0.0007","6.3953","0.0003","27.2889","0.001","90","","112.7","0.002","90","","2678.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0585","0.0458","","","0.1185","0.1241","","","","","","1.236","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201544","13.852","0.006","11.785","0.005","19.365","0.008","90","","107.722","0.007","90","","3011","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 N10 O12 Y2 -","- C66 H40 N10 O12 Y2 -","- C132 H80 N20 O24 Y4 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.2052","0.0787","","","0.1711","0.2351","","","","","","0.955","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201545","13.771","0.006","11.733","0.005","18.983","0.008","90","","107.627","0.005","90","","2923","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 N10 O12 Sm2 -","- C66 H40 N10 O12 Sm2 -","- C132 H80 N20 O24 Sm4 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1415","0.0527","","","0.0994","0.1337","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201546","13.728","0.004","11.688","0.004","19.196","0.006","90","","107.743","0.004","90","","2933.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 Er2 N10 O12 -","- C66 H40 Er2 N10 O12 -","- C132 H80 Er4 N20 O24 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1906","0.0753","","","0.1515","0.201","","","","","","0.965","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201547","7.786","0.003","10.464","0.004","31.574","0.01","90","","90","","90","","2572.4","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Ba N2 O4 -","- C14 H8 Ba N2 O4 -","- C112 H64 Ba8 N16 O32 -","8","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1416","0.1096","","","0.2672","0.2815","","","","","","1.048","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201548","15.282","0.002","13.589","0.001","14.027","0.001","90","","112.611","0.001","90","","2689","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O14 Pb4 -","- C24 H12 O14 Pb4 -","- C96 H48 O56 Pb16 -","4","1","","Yang, En-Cui; Li, Jian; Ding, Bin; Liang, Qing-Qing; Wang, Xiu-Guang; Zhao, Xiao-Jun","An eight-connected 3D lead(ii) metal‒organic framework with octanuclear lead(ii) as a secondary building unit: synthesis, characterization and luminescent property","CrystEngComm","2008","10","2","158","","10.1039/b709810c","","","0.71073","MoKα","","0.0507","0.0477","","","0.1296","0.1321","","","","","","1.059","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201549","8.0355","0.0018","5.3598","0.0012","23.64","0.005","90","","90.074","0.004","90","","1018.1","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N O -","- C13 H9 F N O -","- C52 H36 F4 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0706","0.0605","","","0.1361","0.1417","","","","","","1.132","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201550","5.3691","0.001","7.8623","0.0015","12.892","0.002","72.465","0.003","80.495","0.003","89.707","0.003","511.23","0.16","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0711","0.0626","","","0.1165","0.1201","","","","","","1.244","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201551","8.069","0.002","5.3914","0.0014","23.238","0.006","90","","90.169","0.004","90","","1010.9","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0648","0.0524","","","0.1209","0.1287","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201552","5.349","0.003","7.599","0.004","12.945","0.006","92.124","0.008","101.179","0.007","90.162","0.008","515.8","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0469","0.0323","","","0.0821","0.1121","","","","","","1.222","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201553","5.4206","0.0015","6.258","0.0017","15.534","0.004","90","","97.454","0.005","90","","522.5","0.2","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1272","0.0635","","","0.0931","0.1116","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201554","12.2353","0.0016","10.8787","0.0014","7.8648","0.001","90","","90.232","0.002","90","","1046.8","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0685","0.0499","","","0.0933","0.1002","","","","","","1.149","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201555","24.66","0.005","5.2031","0.0012","8.244","0.0018","90","","90","","90","","1057.8","0.4","290","2","290","2","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1259","0.0853","","","0.1356","0.1494","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201556","5.1864","0.0014","5.8673","0.0016","35.127","0.009","90","","90","","90","","1068.9","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.089","0.076","","","0.131","0.135","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201557","5.46","0.002","7.693","0.003","13.038","0.005","106.758","0.006","100.371","0.006","90.016","0.006","515","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0786","0.0612","","","0.1625","0.1729","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201558","8.0984","0.0014","16.458","0.003","16.621","0.003","90","","90","","90","","2215.3","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Mg O15 -","- C17 H24 Mg O15 -","- C68 H96 Mg4 O60 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0641","0.0466","","","0.0952","0.0991","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201559","19.436","0.018","13.549","0.013","20.662","0.019","90","","116.932","0.017","90","","4851","8","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Ca2 O17 -","- C18 H28 Ca2 O17 -","- C144 H224 Ca16 O136 -","8","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0734","0.0525","","","0.111","0.1171","","","","","","1.039","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201560","10.852","0.002","12.688","0.003","17.865","0.004","90","","90.793","0.004","90","","2459.6","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O17 Sr2 -","- C17 H26 O17 Sr2 -","- C68 H104 O68 Sr8 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0858","0.0635","","","0.132","0.1376","","","","","","0.987","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201561","21.44","0.005","13.16","0.003","10.837","0.002","90","","119.847","0.003","90","","2652.1","1","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H28 Ba2 O18 -","- C17 H28 Ba2 O18 -","- C68 H112 Ba8 O72 -","4","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0593","0.0459","","","0.11","0.1136","","","","","","1.03","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201562","7.3196","0.0017","10.067","0.002","11.818","0.003","75.913","0.003","75.671","0.004","74.625","0.004","798.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Mn2 O19 -","- C34 H26 Mn2 O19 -","- C34 H26 Mn2 O19 -","1","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0647","0.055","","","0.1274","0.131","","","","","","1.131","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201563","7.2984","0.0017","9.985","0.002","11.724","0.003","76.244","0.003","75.392","0.001","74.173","0.005","782.2","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Co2 O19 -","- C34 H26 Co2 O19 -","- C34 H26 Co2 O19 -","1","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0914","0.0669","","","0.1352","0.1417","","","","","","1.032","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201565","14.013","0.002","15.329","0.003","15.464","0.003","67.147","0.002","65.165","0.002","83.999","0.003","2771.1","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H90 N4 O18 Zn5 -","- C140 H90 N4 O18 Zn5 -","- C140 H90 N4 O18 Zn5 -","1","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0872","0.059","","","0.1591","0.1744","","","","","","1.18","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201566","13.9951","0.0002","7.7039","0.0001","23.5124","0.0003","90","","95.787","0.001","90","","2522.11","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O7 Zn -","- C30 H24 O7 Zn -","- C120 H96 O28 Zn4 -","4","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0523","0.0317","","","0.0776","0.0828","","","","","","1.082","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201567","22.62","0.02","17.58","0.015","18.07","0.017","90","","115.734","0.013","90","","6473","10","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N4 O9 Zn2 -","- C84 H54 N4 O9 Zn2 -","- C336 H216 N16 O36 Zn8 -","4","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.1359","0.1097","","","0.218","0.2341","","","","","","1.133","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201568","24.168","0.003","11.574","0.0015","12.0378","0.0016","90","","94.489","0.002","90","","3356.9","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 O6 Zn -","- C42 H34 N2 O6 Zn -","- C168 H136 N8 O24 Zn4 -","4","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0364","0.0297","","","0.074","0.0784","","","","","","1.062","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201569","16.442","0.002","17.697","0.003","27.528","0.004","90","","90","","90","","8010","2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N2 O10 Zn -","- C46 H40 N2 O10 Zn -","- C368 H320 N16 O80 Zn8 -","8","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.0576","0.0433","","","0.1077","0.1164","","","","","","1.104","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201570","9.6712","0.0002","26.8053","0.0004","13.5499","0.0002","90","","92.768","0.001","90","","3508.57","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H29 N4 O6 Zn -","- C44 H29 N4 O6 Zn -","- C176 H116 N16 O24 Zn4 -","4","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0411","0.0309","","","0.0805","0.084","","","","","","1.086","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201571","9.5311","0.0019","10.77","0.002","12.445","0.002","112.048","0.003","95.725","0.003","110.766","0.003","1066.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N6 O2 Zn -","- C24 H17 N6 O2 Zn -","- C48 H34 N12 O4 Zn2 -","2","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0624","0.0432","","","0.1061","0.1204","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201572","17.9347","0.0001","18.1877","0.0001","18.3414","0.0002","90","","90","","90","","5982.8","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H92 Er3 N9 O37 -","- C36 H92 Er3 N9 O37 -","- C144 H368 Er12 N36 O148 -","4","1","","Zhu, Xiandong; Ma, Zhen; Bi, Wenhua; Wang, Yuling; Yuan, Daqiang; Cao, Rong","Formation of a sandwich-type supercomplex through second-sphere coordination of functionalized macrocyclic polyamines","CrystEngComm","2008","10","1","19","","10.1039/b710633e","","","0.71073","MoKα","","0.0316","0.0274","","","0.0522","0.054","","","","","","1.152","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201573","6.3467","0.0016","12.237","0.003","13.363","0.004","97.447","0.003","93.032","0.003","95.62","0.003","1021.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 N6 O20 S2 Sm2 -","- C34 H30 Cu2 N6 O20 S2 Sm2 -","- C34 H30 Cu2 N6 O20 S2 Sm2 -","1","0.5","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0733","0.0664","","","0.1701","0.1782","","","","","","1.094","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201574","6.383","0.002","12.333","0.003","13.507","0.002","97.427","0.003","93.019","0.002","95.519","0.003","1047.2","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Eu2 N6 O20 S2 -","- C34 H30 Cu2 Eu2 N6 O20 S2 -","- C34 H30 Cu2 Eu2 N6 O20 S2 -","1","0.5","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.1051","0.096","","","0.2256","0.2315","","","","","","1.021","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201575","12.648","0.003","13.225","0.003","14.475","0.003","87.804","0.003","67.298","0.002","66.926","0.003","2036.7","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Gd2 N6 O20 S2 -","- C34 H30 Cu2 Gd2 N6 O20 S2 -","- C68 H60 Cu4 Gd4 N12 O40 S4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0781","0.05","","","0.1169","0.132","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201576","12.632","0.006","13.234","0.007","14.431","0.007","87.7","0.006","67.347","0.006","66.628","0.005","2025.5","1.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Dy2 N6 O20 S2 -","- C34 H30 Cu2 Dy2 N6 O20 S2 -","- C68 H60 Cu4 Dy4 N12 O40 S4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.088","0.0628","","","0.1582","0.1817","","","","","","1.009","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201577","12.624","0.002","13.208","0.003","14.457","0.003","87.744","0.002","67.324","0.002","66.785","0.002","2026","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 N6 O20 S2 Tb2 -","- C34 H30 Cu2 N6 O20 S2 Tb2 -","- C68 H60 Cu4 N12 O40 S4 Tb4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0613","0.0418","","","0.1092","0.1282","","","","","","0.994","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201578","15.8279","0.0003","10.5692","0.0002","18.4677","0.0005","90","","90","","90","","3089.43","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Cu N6 O6 -","- C30 H36 Cu N6 O6 -","- C120 H144 Cu4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0396","0.0349","","","0.0865","0.0891","","","","","","0.989","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201579","15.7512","0.0002","10.2969","0.00015","18.7712","0.0002","90","","90","","90","","3044.47","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Co N6 O6 -","- C30 H36 Co N6 O6 -","- C120 H144 Co4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0304","0.0283","","","0.0732","0.0742","","","","","","1.024","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201580","16.0791","0.0002","10.1956","0.0002","18.9341","0.0003","90","","90","","90","","3103.98","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 N6 Ni O6 -","- C30 H36 N6 Ni O6 -","- C120 H144 N24 Ni4 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0374","0.0324","","","0.0821","0.0842","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201581","10.1288","0.0006","21.0031","0.0014","16.3702","0.001","90","","90.961","0.002","90","","3482","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H90 Cu2 N12 O13 -","- C68 H88 Cu2 N12 O13 -","- C136 H176 Cu4 N24 O26 -","2","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.1517","0.0972","","","0.1741","0.1855","","","","","","1.206","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201582","5.0866","","11.7731","","5.4595","","90","","111.99","","90","","303.157","","","","23","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-Glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Netzel, Jeanette; Hofmann, Andreas; van Smaalen, Sander","Accurate charge density of α-glycine by the maximum entropy method","CrystEngComm","2008","10","3","335","","10.1039/b711064b","","","0.71069","MoKα","","0.026","0.0233","","","0.0525","0.0535","","","","2.02","2.02","1.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201583","8.3067","0.0009","9.7312","0.0012","10.7272","0.0013","90","","106.181","0.008","90","","832.77","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 O7 U -","- C5 H6 O7 U -","- C20 H24 O28 U4 -","4","2","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0384","0.0342","","","0.0815","0.0837","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201584","8.498","0.0003","9.2992","0.0004","13.2045","0.0006","86.048","0.002","87.745","0.003","88.381","0.003","1039.85","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N2 O24 U3 -","- C28 H56 N2 O24 U3 -","- C28 H56 N2 O24 U3 -","1","0.5","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0232","0.0204","","","0.0482","0.0489","","","","","","1.056","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201585","10.0669","0.0005","29.4919","0.0013","11.1076","0.0006","90","","107.873","0.003","90","","3138.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O21 U3 -","- C22 H22 N2 O21 U3 -","- C88 H88 N8 O84 U12 -","4","1","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0445","0.0324","","","0.0775","0.0806","","","","","","1.032","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201586","36.017","0.01","30.88","0.01","36.183","0.015","90","","93.66","0.03","90","","40161","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H126 Fe2 O39 S96 -","- C132 H96 Fe2 O39 S96 -","- C1056 H768 Fe16 O312 S768 -","8","1","","Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.","Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions","CrystEngComm","2008","10","2","192","","10.1039/b711325k","","","0.71073","MoKα","","0.1574","0.0842","","","0.1898","0.2283","","","","","","1.04","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201587","17.9695","0.0015","15.4988","0.0013","36.115","0.003","90","","93.72","0.002","90","","10037","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{(FeO12C6)(C10H8S8)6}.(H2O)8","{(FeO12C6)(C10H8S8)6}.(H2O)8","","- C66 H64 Fe O20 S48 -","- C66 Fe O20 S48 -","- C264 Fe4 O80 S192 -","4","0.5","","Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.","Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions","CrystEngComm","2008","10","2","192","","10.1039/b711325k","","","0.71073","MoKα","","0.1121","0.0673","","","0.1676","0.1971","","","","","","1.023","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201588","8.4727","0.0004","14.4634","0.0007","18.4388","0.001","90","","94.748","0.001","90","","2251.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N6 O8 -","- C20 H22 Co N6 O8 -","- C80 H88 Co4 N24 O32 -","4","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0335","0.0249","","","0.0646","0.0681","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201589","8.335","0.004","10.926","0.005","13.175","0.006","102.845","0.005","99.713","0.005","92.635","0.006","1148.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C40 H38 Co2 N14 O18 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0318","0.027","","","0.072","0.0737","","","","","","1.056","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201590","7.7168","0.0009","8.8342","0.001","18.14","0.002","96.125","0.002","101.533","0.002","109.272","0.001","1123.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Co N12 O18 -","- C42 H42 Co N12 O18 -","- C42 H42 Co N12 O18 -","1","0.5","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0414","0.0337","","","0.0866","0.0902","","","","","","1.041","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201591","9.0733","0.0005","10.0843","0.0005","12.3969","0.0007","66.846","0.001","89.438","0.002","79.388","0.001","1022.62","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu N6 O6 -","- C20 H18 Cu N6 O6 -","- C40 H36 Cu2 N12 O12 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0298","0.0271","","","0.0714","0.0728","","","","","","1.047","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201592","15.987","0.005","16.865","0.005","18.229","0.006","95.956","0.005","95.262","0.004","110.902","0.005","4523","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H76 Cu4 N28 O36 -","- C80 H70 Cu4 N28 O36 -","- C160 H140 Cu8 N56 O72 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.1239","0.0588","","","0.1322","0.1586","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201593","7.685","0.006","14.817","0.012","18.713","0.015","90","","93.509","0.012","90","","2127","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cu N6 O8 -","- C21 H18 Cu N6 O8 -","- C84 H72 Cu4 N24 O32 -","4","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0524","0.0379","","","0.0978","0.1057","","","","","","1.041","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201594","7.3188","0.0006","10.3043","0.0008","14.2348","0.0011","104.88","0.001","92.569","0.001","92.138","0.002","1035.15","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N6 O6.5 -","- C20 H18 Cd N6 O6.5 -","- C40 H36 Cd2 N12 O13 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0212","0.0197","","","0.0524","0.0529","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201595","9.1396","0.0016","13.754","0.002","18.779","0.003","78.625","0.002","87.997","0.002","84.394","0.001","2302.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Cd2 N14 O18 -","- C40 H36 Cd2 N14 O18 -","- C80 H72 Cd4 N28 O36 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.06","0.0388","","","0.1005","0.1087","","","","","","1.053","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201596","22.16","0.004","19.009","0.003","13.457","0.002","90","","124.142","0.002","90","","4691.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cd N6 O10 -","- C21 H18 Cd N6 O10 -","- C168 H144 Cd8 N48 O80 -","8","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0488","0.0383","","","0.1017","0.1086","","","","","","1.041","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201597","9.696","0.001","19.241","0.0019","7.2146","0.0007","90","","107.827","0.003","90","","1281.3","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","","","- C12 H6 Ba N2 O5 -","- C12 H6 Ba N2 O5 -","- C48 H24 Ba4 N8 O20 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0746","0.0694","","","0.1825","0.1864","","","","","","1.082","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201598","17.2837","0.0014","9.9314","0.0008","7.0022","0.0006","90","","97.464","0.002","90","","1191.75","0.17","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","2","","","- C12 H8 N2 O5 Sr -","- C12 H6 N2 O5 Sr -","- C48 H24 N8 O20 Sr4 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0365","0.0357","","","0.0863","0.0865","","","","","","1.107","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201599","27.5898","0.0011","9.7108","0.0004","13.2117","0.0005","90","","117.092","0.001","90","","3151.3","0.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3","","","- C14 H8 Ba2 N2 O10 -","- C14 H8 Ba2 N2 O10 -","- C112 H64 Ba16 N16 O80 -","8","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0255","0.0227","","","0.0547","0.0558","","","","","","1.058","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201600","9.2075","0.0006","9.6199","0.0006","10.2189","0.0007","107.787","0.001","91.857","0.001","115.389","0.001","764.46","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","4","","","- C14 H10 Cu N2 O11 Sr -","- C14 H10 Cu N2 O11 Sr -","- C28 H20 Cu2 N4 O22 Sr2 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0445","0.0336","","","0.0769","0.0808","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201601","9.0649","0.0013","7.1645","0.0011","11.7296","0.0017","90","","102.472","0.003","90","","743.81","0.19","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","2","","","- C14 H12 N2 O10 -","- C14 H12 N2 O10 -","- C28 H24 N4 O20 -","2","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0658","0.043","","","0.1099","0.1221","","","","","","1.021","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201602","10.2706","0.0009","10.8551","0.0009","16.487","0.0014","99.169","0.002","103.656","0.002","94.272","0.002","1751.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","3","","","- C33 H29 N4 O19 Yb -","- C33 H29 N4 O19 Yb -","- C66 H58 N8 O38 Yb2 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0622","0.0458","","","0.0927","0.0978","","","","","","1.044","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201603","10.4424","0.0006","12.9331","0.0007","15.4313","0.0009","79.426","0.001","87.329","0.002","74.204","0.001","1971.27","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","6","","","- C72 H74 Cu N8 O42 Yb2 -","- C72 H74 Cu N8 O42 Yb2 -","- C72 H74 Cu N8 O42 Yb2 -","1","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0632","0.0433","","","0.0934","0.101","","","","","","0.995","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201604","13.5903","0.0004","15.1186","0.0006","18.8621","0.0007","101.383","0.002","99.6841","0.0019","95.3548","0.0017","3712.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H106 N102 O17 Zn17 -","- C68 H74 N102.02 O17 Zn17 -","- C68 H74 N102.02 O17 Zn17 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1046","0.0552","","","0.1474","0.1666","","","","","","0.984","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201605","10.6683","0.0002","10.2683","0.0002","18.9476","0.0007","90","","117.949","0.003","90","","1833.53","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N14 Zn2 -","- C13 H11 N14 Zn2 -","- C52 H44 N56 Zn8 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.077","0.0457","","","0.1194","0.1266","","","","","","1.08","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201606","10.5173","0.0003","10.083","0.0003","19.5632","0.0007","90","","116.835","0.0014","90","","1851.18","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N15 O Zn2 -","- C12 H8 N15 O Zn2 -","- C48 H32 N60 O4 Zn8 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1297","0.0404","","","0.0831","0.0973","","","","","","0.88","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201607","15.3383","0.0004","13.3717","0.0004","17.5628","0.0006","90","","100.724","0.0016","90","","3539.21","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N14 S Zn2 -","- C11 H9 N14 S Zn2 -","- C88 H72 N112 S8 Zn16 -","8","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1261","0.0428","","","0.0949","0.1083","","","","","","0.911","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201608","10.5816","0.0008","14.0388","0.001","14.5487","0.0012","90","","94.38","0.005","90","","2154.9","0.3","123","1","123","1","","","","","","","","5","C 1 c 1","C -2yc","9","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","","- C20 H26 Cu N2 O6 -","- C20 H26 Cu N2 O6 -","- C80 H104 Cu4 N8 O24 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0747","0.0483","","","0.1027","0.113","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201609","7.8631","0.0002","14.278","0.0003","14.3028","0.0003","90","","104.829","0.001","90","","1552.28","0.06","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(O2CCCCO2)(py)2(MeOH)","[acetylenedicarboxylato-methanol-bis-pyridine-copper(II)]","","- C15 H14 Cu N2 O5 -","- C15 H14 Cu N2 O5 -","- C60 H56 Cu4 N8 O20 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0398","0.031","","","0.0707","0.0741","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201612","7.6519","0.0015","11.885","0.002","13.594","0.003","69.47","0.03","79.83","0.03","82.01","0.03","1135.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Co2 N8 O20 -","- C46 H40 Co2 N8 O20 -","- C46 H40 Co2 N8 O20 -","1","0.5","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0633","0.0439","","","0.1018","0.1099","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201613","16.16","0.005","13.073","0.004","18.365","0.005","90","","90","","90","","3880","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 Mn N4 O7 -","- C23 H14 Mn N4 O7 -","- C184 H112 Mn8 N32 O56 -","8","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0647","0.0406","","","0.0961","0.1076","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201614","10.243","0.002","11.406","0.002","15.414","0.003","74.56","0.03","70.73","0.03","85.23","0.03","1638.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 Cd2 N8 O8 -","- C37 H22 Cd2 N8 O8 -","- C74 H44 Cd4 N16 O16 -","2","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0448","0.0333","","","0.076","0.0819","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201615","9.4403","0.0019","14.647","0.003","15.286","0.003","90","","101.39","0.03","90","","2072","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 Cu2 N4 O7 -","- C23 H12 Cu2 N4 O7 -","- C92 H48 Cu8 N16 O28 -","4","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0344","0.0275","","","0.0776","0.0865","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201616","9.4496","0.0019","14.686","0.003","15.217","0.003","90","","101.15","0.03","90","","2071.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N4 O7 Zn2 -","- C23 H12 N4 O7 Zn2 -","- C92 H48 N16 O28 Zn8 -","4","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0376","0.0285","","","0.0636","0.0669","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201617","7.268","0.003","20.93","0.008","10.365","0.004","90","","108.032","0.005","90","","1499.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Co N6 O12 -","- C30 H30 Co N6 O12 -","- C60 H60 Co2 N12 O24 -","2","0.5","","Braverman, Maxwell A.; LaDuca, Robert L.","Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids","CrystEngComm","2008","10","1","117","","10.1039/b712182b","","","0.71073","MoKα","","0.0405","0.0347","","","0.0832","0.0863","","","","","","1.031","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201618","11.5837","0.0013","14.7422","0.0017","11.6194","0.0013","90","","102.319","0.002","90","","1938.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O10 Zn -","- C20 H17 N3 O10 Zn -","- C80 H68 N12 O40 Zn4 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids","CrystEngComm","2008","10","1","117","","10.1039/b712182b","","","0.71073","MoKα","","0.0403","0.032","","","0.0746","0.0778","","","","","","1.099","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201619","10.464","0.002","10.607","0.002","11.353","0.002","83.08","0.03","74.54","0.03","69.67","0.03","1138.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Gd2 N4 O34 -","- C32 H20 Cu Gd2 N4 O34 -","- C32 H20 Cu Gd2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0277","0.0265","","","0.0957","0.0992","","","","","","1.026","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201620","9.815","0.002","10.285","0.002","10.957","0.002","70.75","0.03","85.05","0.03","71.09","0.03","987.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Gd2 N4 O26 -","- C32 H16 Cu Gd2 N4 O26 -","- C32 H16 Cu Gd2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0832","0.0704","","","0.1866","0.2011","","","","","","1.071","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201621","10.414","0.002","10.615","0.002","11.317","0.002","83.45","0.03","75.04","0.03","69.61","0.03","1132.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Ho2 N4 O34 -","- C32 H20 Cu Ho2 N4 O34 -","- C32 H20 Cu Ho2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0312","0.0293","","","0.0861","0.0941","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201622","9.795","0.002","10.221","0.002","10.94","0.002","70.8","0.03","84.87","0.03","71.5","0.03","980.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Ho2 N4 O26 -","- C32 H16 Cu Ho2 N4 O26 -","- C32 H16 Cu Ho2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0619","0.0574","","","0.1676","0.1717","","","","","","1.061","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201623","10.5","0.002","10.635","0.002","11.373","0.002","82.98","0.03","74.42","0.03","69.6","0.03","1146","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Eu2 N4 O34 -","- C32 H20 Cu Eu2 N4 O34 -","- C32 H20 Cu Eu2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0322","0.0299","","","0.0908","0.0975","","","","","","1.15","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201624","9.838","0.002","10.222","0.002","11.026","0.002","71.83","0.03","84.19","0.03","71.53","0.03","999.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Eu2 N4 O26 -","- C32 H16 Cu Eu2 N4 O26 -","- C32 H16 Cu Eu2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0845","0.0777","","","0.207","0.213","","","","","","1.072","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201625","10.528","0.002","10.671","0.002","11.378","0.002","83.14","0.03","74.61","0.03","69.34","0.03","1152.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Sm2 -","- C32 H20 Cu N4 O34 Sm2 -","- C32 H20 Cu N4 O34 Sm2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0347","0.0331","","","0.1209","0.1218","","","","","","1.052","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201626","9.849","0.002","10.341","0.002","10.999","0.002","70.72","0.03","84.8","0.03","70.78","0.03","998.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 O26 Sm2 -","- C32 H16 Cu N4 O26 Sm2 -","- C32 H16 Cu N4 O26 Sm2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0703","0.0661","","","0.1739","0.178","","","","","","1.028","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201627","10.546","0.002","10.653","0.002","11.422","0.002","82.68","0.03","74.1","0.03","69.42","0.03","1154.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 Nd2 O34 -","- C32 H20 Cu N4 Nd2 O34 -","- C32 H20 Cu N4 Nd2 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0393","0.0365","","","0.095","0.0963","","","","","","1.095","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201628","9.849","0.002","10.44","0.002","11.057","0.002","70.65","0.03","84.44","0.03","70.73","0.03","1012.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 Nd2 O26 -","- C32 H16 Cu N4 Nd2 O26 -","- C32 H16 Cu N4 Nd2 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0949","0.0861","","","0.1988","0.2053","","","","","","0.987","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201629","10.399","0.002","10.606","0.002","11.3","0.002","83.5","0.03","75.15","0.03","69.62","0.03","1128.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Er2 N4 O34 -","- C32 H20 Cu Er2 N4 O34 -","- C32 H20 Cu Er2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0319","0.031","","","0.0981","0.1005","","","","","","1.028","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201630","9.779","0.002","10.195","0.002","10.951","0.002","70.27","0.03","86.24","0.03","71.41","0.03","973","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Er2 N4 O26 -","- C32 H16 Cu Er2 N4 O26 -","- C32 H16 Cu Er2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0468","0.0428","","","0.1294","0.1383","","","","","","0.994","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201631","10.845","0.002","12.041","0.002","13.634","0.003","108.07","0.03","108.82","0.03","103.88","0.03","1483.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cu La N3 O22 -","- C24 H18 Cu La N3 O22 -","- C48 H36 Cu2 La2 N6 O44 -","2","1","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0247","0.022","","","0.0726","0.0777","","","","","","1.053","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201632","9.835","0.002","10.322","0.002","10.979","0.002","70.75","0.03","84.63","0.03","70.97","0.03","994.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu La2 N4 O26 -","- C32 H16 Cu La2 N4 O26 -","- C32 H16 Cu La2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0863","0.0773","","","0.1889","0.1957","","","","","","1.075","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201633","10.445","0.002","10.636","0.002","11.326","0.002","83.28","0.03","74.83","0.03","69.6","0.03","1137.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Tb2 -","- C32 H20 Cu N4 O34 Tb2 -","- C32 H20 Cu N4 O34 Tb2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0288","0.0273","","","0.08","0.0843","","","","","","1.062","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201634","9.829","0.002","10.242","0.002","10.948","0.002","70.76","0.03","84.94","0.03","71.26","0.03","985.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 O26 Tb2 -","- C32 H16 Cu N4 O26 Tb2 -","- C32 H16 Cu N4 O26 Tb2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0631","0.0579","","","0.1525","0.1561","","","","","","1.056","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201635","10.425","0.002","10.62","0.002","11.323","0.002","83.41","0.03","74.96","0.03","69.67","0.03","1134.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Dy2 N4 O34 -","- C32 H20 Cu Dy2 N4 O34 -","- C32 H20 Cu Dy2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0273","0.0257","","","0.0752","0.0809","","","","","","1.076","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201636","9.805","0.002","10.235","0.002","10.981","0.002","70.29","0.03","86.24","0.03","71.16","0.03","980.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Dy2 N4 O26 -","- C32 H16 Cu Dy2 N4 O26 -","- C32 H16 Cu Dy2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.037","0.0341","","","0.1049","0.1062","","","","","","1.077","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201637","10.236","0.002","10.476","0.002","11.089","0.002","75.71","0.03","63.72","0.03","67.03","0.03","977.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Ce2 Cu N4 O30 -","- C32 H24 Ce2 Cu N4 O30 -","- C32 H24 Ce2 Cu N4 O30 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0201","0.0179","","","0.0662","0.08","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201638","10.599","0.002","10.681","0.002","11.424","0.002","82.67","0.03","74.14","0.03","69.32","0.03","1163.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Pr2 -","- C32 H20 Cu N4 O34 Pr2 -","- C32 H20 Cu N4 O34 Pr2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0306","0.0289","","","0.0963","0.1022","","","","","","1.084","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201639","24.995","0.006","8.6663","0.0019","17.347","0.004","90","","133.949","0.017","90","","2705.3","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Mn4 N8 O22 -","- C50 H48 Mn4 N8 O22 -","- C100 H96 Mn8 N16 O44 -","2","0.25","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.0997","0.0599","","","0.1183","0.1272","","","","","","1.061","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201640","11.4159","0.0015","15.596","0.002","28.849","0.004","90","","98.997","0.002","90","","5073.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Mn3 N2 O23 -","- C44 H39 Mn3 N2 O23 -","- C176 H156 Mn12 N8 O92 -","4","1","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.1134","0.0637","","","0.1271","0.1397","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201641","9.9387","0.0016","8.4653","0.0014","25.115","0.004","90","","90.56","0.003","90","","2112.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Co5 O31 -","- C34 H44 Co5 O31 -","- C68 H88 Co10 O62 -","2","0.5","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.0733","0.0574","","","0.139","0.1452","","","","","","1.076","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201642","13.1506","0.0018","3.8859","0.0006","14.3115","0.0019","90","","91.548","0.01","90","","731.08","0.18","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0618","0.0331","","0.0831","0.0786","0.0831","","","","","","0.8005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201643","13.9108","0.0005","7.1936","0.0003","15.6965","0.0006","90","","90","","90","","1570.73","0.11","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Methoxysalicylaldoxime","3-Methoxysalicylaldoxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.081","0.0296","","0.1256","0.0746","0.1256","","","","","","1.1328","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201644","13.249","0.004","3.9513","0.0011","14.402","0.004","90","","90.324","0.004","90","","753.9","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.1516","0.0491","","0.131","0.1042","0.131","","","","","","0.6877","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201645","6.6132","0.0003","13.1087","0.0006","13.6382","0.0006","68.762","0.003","76.739","0.003","79.733","0.003","1066.71","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","2","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.1206","0.0535","","0.1344","0.1093","0.1344","","","","","","0.8468","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201646","12.998","0.003","3.6988","0.0005","13.9167","0.0016","90","","90.99","0.02","90","","668.97","0.19","298","","298","","","","1300000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.121","0.0763","","0.2116","0.1777","0.2116","","","","","","1.0159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201647","12.941","0.004","3.6146","0.0005","13.7188","0.0017","90","","91.47","0.02","90","","641.5","0.2","298","","298","","","","2200000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1022","0.0677","","0.1964","0.164","0.1964","","","","","","1.0253","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201648","12.878","0.004","3.5363","0.0005","13.5218","0.0016","90","","91.88","0.02","90","","615.5","0.2","298","","298","","","","3500000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1299","0.0616","","0.1948","0.1423","0.1948","","","","","","1.0041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201649","12.831","0.003","3.5096","0.0004","13.4462","0.0013","90","","92.1","0.02","90","","605.1","0.17","298","","298","","","","4200000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1608","0.0758","","0.24","0.1729","0.24","","","","","","0.9604","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201650","12.766","0.007","3.4872","0.0009","13.382","0.003","90","","92.27","0.04","90","","595.3","0.4","298","","298","","","","4900000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1606","0.0987","","0.3178","0.2423","0.3178","","","","","","0.9284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201651","12.75","0.004","3.4482","0.0006","13.291","0.0018","90","","92.45","0.02","90","","583.8","0.2","298","","298","","","","5600000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1285","0.0589","","0.1739","0.1374","0.1739","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201652","6.5597","0.0007","12.8532","0.0009","13.479","0.002","69.311","0.01","76.054","0.01","79.035","0.006","1024.9","0.2","298","","298","","","","200000","","","","","4","P -1","-P 1","2","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","2","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1207","0.0615","","0.2004","0.1388","0.2004","","","","","","0.9155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201653","14.811","0.003","6.4564","0.0007","19.759","0.004","90","","94.06","0.008","90","","1884.7","0.6","298","","298","","","","1000000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1138","0.0621","","0.2058","0.1603","0.2058","","","","","","0.9548","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201654","14.5745","0.0013","6.3779","0.0004","19.0922","0.0018","90","","94.882","0.004","90","","1768.3","0.3","298","","298","","","","2300000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1063","0.064","","0.2247","0.1715","0.2247","","","","","","0.9844","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201655","14.3941","0.0014","6.3329","0.0004","18.725","0.0019","90","","95.325","0.005","90","","1699.5","0.3","298","","298","","","","3400000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.092","0.0559","","0.1838","0.1438","0.1838","","","","","","0.9545","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201656","14.271","0.004","6.303","0.0009","18.459","0.005","90","","95.59","0.015","90","","1652.5","0.7","298","","298","","","","4600000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1084","0.0673","","0.239","0.1829","0.239","","","","","","0.9765","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201657","14.101","0.003","6.2699","0.0006","18.158","0.003","90","","95.817","0.01","90","","1597.1","0.5","298","","298","","","","6200000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.0896","0.0531","","0.1634","0.1303","0.1634","","","","","","0.9538","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201658","12.843","0.003","3.6613","0.0003","13.7921","0.0016","90","","92.603","0.013","90","","647.86","0.18","298","","298","","","","1600000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0746","0.0578","","0.1577","0.1476","0.1577","","","","","","1.0232","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201659","12.748","0.002","3.5954","0.0003","13.6496","0.0015","90","","93.115","0.013","90","","624.69","0.13","298","","298","","","","2400000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0592","0.0463","","0.1213","0.1141","0.1213","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201660","12.652","0.004","3.5295","0.0004","13.509","0.002","90","","93.64","0.02","90","","602","0.2","298","","298","","","","3400000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0973","0.0775","","0.2271","0.2099","0.2271","","","","","","1.0203","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201661","12.544","0.006","3.4424","0.0008","13.365","0.005","90","","94.44","0.04","90","","575.4","0.4","298","","298","","","","5000000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0775","0.045","","0.1234","0.1039","0.1234","","","","","","0.9958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201662","13.0765","0.0005","7.0982","0.0004","15.2455","0.0005","90","","90","","90","","1415.08","0.11","298","","298","","","","1400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0857","0.0464","","0.1526","0.1218","0.1526","","","","","","0.9357","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201663","12.5814","0.0004","7.0265","0.0004","15.0188","0.0004","90","","90","","90","","1327.71","0.09","298","","298","","","","2700000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0679","0.0408","","0.1193","0.0969","0.1193","","","","","","0.9038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201664","12.3113","0.0005","6.98","0.0004","14.8947","0.0005","90","","90","","90","","1279.94","0.1","298","","298","","","","4400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0863","0.0488","","0.1619","0.1252","0.1619","","","","","","0.8651","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201665","12.134","0.0013","6.9421","0.0011","14.8065","0.0013","90","","90","","90","","1247.2","0.3","298","","298","","","","5300000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0696","0.0476","","0.1436","0.123","0.1436","","","","","","0.8503","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201666","12.0702","0.0005","6.92","0.0005","14.7703","0.0005","90","","90","","90","","1233.7","0.11","298","","298","","","","6000000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0717","0.0417","","0.1113","0.089","0.1113","","","","","","0.9001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201668","6.8481","0.0014","11.662","0.002","13.675","0.003","107.123","0.004","99.175","0.004","90.909","0.003","1028.1","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Br2 O8 -","- C21 H16 Br2 O8 -","- C42 H32 Br4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.0652","0.0405","","","0.086","0.0946","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201669","6.794","0.005","11.545","0.009","13.565","0.01","106.843","0.011","98.733","0.012","91.059","0.012","1004.3","1.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Cl2 O8 -","- C21 H16 Cl2 O8 -","- C42 H32 Cl4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.052","0.0474","","","0.1206","0.1241","","","","","","1.078","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201670","6.825","0.003","8.33","0.004","18.181","0.009","80.744","0.009","88.609","0.009","83.038","0.01","1012.6","0.8","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Br2 O8 -","- C21 H16 Br2 O8 -","- C42 H32 Br4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.1264","0.0663","","","0.1491","0.1761","","","","","","0.963","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201671","6.815","0.003","8.325","0.003","17.887","0.007","80.14","0.007","87.493","0.008","83.024","0.008","992.2","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Cl2 O8 -","- C21 H16 Cl2 O8 -","- C42 H32 Cl4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.0954","0.0602","","","0.1212","0.1358","","","","","","1.047","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201672","8.31089","0.00009","12.15064","0.00012","8.06761","0.00009","90","","106.723","0.0008","90","","780.234","0.015","297","1","297","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","bis(3-acetyl-2,4-pentandionato-O2,O3)magnesium(II)","","- C14 H18 Mg O6 -","- C14 H18 Mg O6 -","- C28 H36 Mg2 O12 -","2","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","4.2413","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201673","13.39752","0.00015","13.43165","0.00008","8.49767","0.00004","90","","90","","90","","1529.16","0.02","296","","296","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","bis(3-acetyl-2,4-pentandionato-O2,O3)palladium(II)","","- C14 H18 O6 Pd -","- C14 H18 O6 Pd -","- C56 H72 O24 Pd4 -","4","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","3.8205","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201674","5.6491","0.0001","19.5639","0.0004","22.0741","0.0005","84.2178","0.0013","88.4073","0.0014","83.6001","0.0013","2411.72","0.09","","","100","","","","","","","","","4","P -1","-P 1","2","10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide","10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","4","","Florence, A. J.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.; Leech, C. K.","A catemer-to-dimer structural transformation in cyheptamide","CrystEngComm","2008","10","1","26","","10.1039/b712547j","powder diffraction","","","","","","","","","","","","","2.05","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201675","10.9504","0.0013","11.8398","0.0014","13.2335","0.0016","90","","90","","90","","1715.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B F4 N3 Pd -","- C14 H26 B F4 N3 Pd -","- C56 H104 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0219","0.0215","","","0.053","0.0534","","","","","","1.083","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201676","10.824","0.003","12.23","0.003","14.106","0.003","90","","90","","90","","1867.3","0.8","278","2","278","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 B F4 N3 Pd -","- C15 H28 B F4 N3 Pd -","- C60 H112 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0829","0.0493","","","0.0814","0.0873","","","","","","1.041","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201677","10.3539","0.001","16.9103","0.0016","11.3615","0.0011","90","","116.461","0.002","90","","1780.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0724","0.0551","","","0.0988","0.1039","","","","","","1.153","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201678","8.9088","0.0009","9.5432","0.001","20.917","0.002","90","","90","","90","","1778.3","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.037","0.0346","","","0.0812","0.0825","","","","","","1.048","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201679","10.908","0.002","12.578","0.003","13.989","0.003","90","","90","","90","","1919.3","0.7","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 F6 N3 P Pd -","- C14 H26 F6 N3 P Pd -","- C56 H104 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0361","0.0354","","","0.0966","0.0971","","","","","","1.103","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201680","10.839","0.0007","12.5518","0.0009","14.3611","0.001","90","","90","","90","","1953.8","0.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 F6 N3 P Pd -","- C15 H28 F6 N3 P Pd -","- C60 H112 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0223","0.0221","","","0.053","0.0532","","","","","","1.097","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201681","10.777","0.003","12.438","0.003","14.353","0.003","90","","90","","90","","1923.9","0.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F7 N3 P Pd -","- C14 H25 F7 N3 P Pd -","- C56 H100 F28 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.035","0.0309","","","0.0734","0.0749","","","","","","1.084","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201682","10.7696","0.0009","12.4391","0.001","14.6194","0.0012","90","","90","","90","","1958.5","0.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 Cl F6 N3 P Pd -","- C14 H25 Cl F6 N3 P Pd -","- C56 H100 Cl4 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0649","0.0627","","","0.1443","0.1455","","","","","","1.196","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201683","7.724","0.003","20.015","0.008","14.106","0.006","90","","102.012","0.009","90","","2133","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.134","0.0614","","","0.1061","0.1245","","","","","","1.001","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201684","7.598","0.0005","20.5971","0.0014","13.8222","0.0009","90","","105.038","0.002","90","","2089.1","0.2","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.048","0.0437","","","0.0934","0.0956","","","","","","1.018","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201685","11.6744","0.0017","14.108","0.002","11.9538","0.0018","90","","96.137","0.004","90","","1957.5","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0386","0.0352","","","0.0848","0.0865","","","","","","1.057","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201686","11.6452","0.0013","14.3172","0.0013","12.0277","0.0013","90","","96.018","0.004","90","","1994.3","0.4","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0928","0.0602","","","0.0954","0.1055","","","","","","0.999","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201687","11.8517","0.0007","10.8528","0.0007","9.1258","0.0005","90","","111.267","0.002","90","","1093.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C32 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Isomerism and interpenetration in hydrogen-bonded network structures","CrystEngComm","2008","10","1","15","","10.1039/b712678f","","","0.6867","Synchrotron","","0.0588","0.0436","","","0.1078","0.1158","","","","","","1.019","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201688","7.287","0.0006","19.483","0.0012","14.679","0.002","90","","94.837","0.005","90","","2076.6","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C64 H104 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Isomerism and interpenetration in hydrogen-bonded network structures","CrystEngComm","2008","10","1","15","","10.1039/b712678f","","","0.71073","MoKα","","0.1136","0.0517","","","0.1091","0.1236","","","","","","0.994","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201689","17.3064","0.0008","17.3064","0.0008","18.5975","0.0016","90","","90","","90","","5570.2","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C4 H6 Cu2 I N3 O2 -","- C4 H6 Cu2 I N3 O2 -","- C64 H96 Cu32 I16 N48 O32 -","16","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0753","0.0662","","","0.2045","0.2166","","","","","","1.056","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201690","8.7902","0.0004","8.8646","0.0004","16.0524","0.0008","90","","90","","90","","1250.83","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0611","0.0594","","","0.1916","0.1939","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201691","15.4037","0.0003","13.4121","0.0002","13.2831","0.0002","90","","90","","90","","2744.23","0.08","100","2","100","2","","","","","","","synthesis as described","4","A b a 2","A 2 -2ab","41","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0417","0.0373","","","0.0992","0.105","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201692","11.889","0.0002","7.4118","0.0001","15.6083","0.0002","90","","103.661","0.002","90","","1336.48","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0531","0.043","","","0.1193","0.1309","","","","","","1.085","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201693","7.2691","0.0005","14.0308","0.0012","26.229","0.002","90","","90","","90","","2675.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.1045","0.0551","","","0.1045","0.1231","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201694","7.894","0.002","21.662","0.006","7.747","0.002","90","","115.645","0.004","90","","1194.2","0.5","291","2","291","2","","","","","","","see text","3","C 1 c 1","C -2yc","9","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,9,9a- tetrahydrocycloocta(d)(1,3)dioxol-4-ol","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,9,9a-tetrahydrocycloocta[d][1,3]dioxol-4-ol","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","x-ray","0.71073","MoKα","","0.0404","0.0364","","","0.0855","0.0875","","","","","","1.159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201695","8.8996","0.0016","14.342","0.003","19.65","0.004","90","","102.262","0.003","90","","2450.9","0.8","291","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","(3aS*,4S*,9S*,9aR*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,7,8,9,9a-hexahydro-cycloocta(d)(1,3)dioxol-4-ol","(3aS*,4S*,9S*,9aR*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,7,8,9,9a-hexahydro- cycloocta[d][1,3]dioxol-4-ol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","2","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","","0.71073","MoKa","","0.0775","0.0514","","","0.1025","0.1101","","","","","","1.07","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201696","4.9452","0.0001","32.404","0.0008","12.472","0.0004","90","","95.869","0.003","90","","1988.09","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C84 H68 N12 O36 -","4","1","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.0852","0.0468","","","0.1123","0.1336","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201697","5.0358","0.0004","31.895","0.003","6.6096","0.0006","90","","105.033","0.004","90","","1025.28","0.16","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N2 O9 S -","- C20 H16 N2 O9 S -","- C40 H32 N4 O18 S2 -","2","0.5","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.1554","0.088","","","0.2664","0.321","","","","","","1.035","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201698","8.6581","0.0003","14.2343","0.0017","39.083","0.006","97.681","0.012","95.21","0.005","104.377","0.005","4585.2","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C84.3 H74.15 Cu2 Fe2 N26.15 O31.85 -","- C84.3 H62.45 Cu2 Fe2 N26.15 O31.85 -","- C168.6 H124.9 Cu4 Fe4 N52.3 O63.7 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","A one-dimensional copper(ii) coordination polymer containing [Fe(pytpy)2]2+ (pytpy = 4′-(4-pyridyl)-2,2′:6′,2″-terpyridine) as an expanded 4,4′-bipyridine ligand: a hydrogen-bonded network penetrated by rod-like polymers","CrystEngComm","2008","10","3","344","","10.1039/b713001e","","","0.71073","MoKα","","0.0997","0.0685","","0.088","0.0602","0.0602","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201699","8.926","0.007","16.448","0.013","12.652","0.01","90","","97.353","0.009","90","","1842","3","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C11 H15 Fe2 O8 P S2 -","- C11 H15 Fe2 O8 P S2 -","- C44 H60 Fe8 O32 P4 S8 -","4","2","","Li, Ping; Wang, Mei; Chen, Lin; Wang, Ning; Zhang, Tingting; Sun, Licheng","Supramolecular self-assembly of a [2Fe2S] complex with a hydrophilic phosphine ligand","CrystEngComm","2008","10","3","267","","10.1039/b713159c","","","0.71073","MoKα","","0.0361","0.0339","","","0.0929","0.0946","","","","","","1.018","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201700","13.7009","0.0018","7.8374","0.001","7.4351","0.0007","90","","105.238","0.01","90","","770.31","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl6 N2 Pb2 -","- C6 H10 Cl6 N2 Pb2 -","- C12 H20 Cl12 N4 Pb4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0355","0.0252","","","0.0773","0.0971","","","","","","1.329","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201701","9.6706","0.0012","10.9982","0.0011","14.791","0.0016","95.696","0.009","101.053","0.01","99.407","0.009","1509.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Cl14 Hg6 N2 O2 -","- C6 H10 Cl14 Hg6 N2 O2 -","- C12 H20 Cl28 Hg12 N4 O4 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.042","0.0216","","","0.0534","0.0714","","","","","","0.983","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201702","5.8696","0.0005","11.4163","0.0011","21.257","0.002","90","","95.871","0.007","90","","1416.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N2 Pb -","- C8 H14 Cl4 N2 Pb -","- C32 H56 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0285","0.0171","","","0.0369","0.0568","","","","","","1.011","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201703","11.0672","0.0011","19.9418","0.0015","11.9459","0.0017","90","","107.754","0.011","90","","2510.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl10 Hg4 N2 O -","- C8 H14 Cl10 Hg4 N2 O -","- C32 H56 Cl40 Hg16 N8 O4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0831","0.0287","","","0.0521","0.0655","","","","","","0.914","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201704","12.2479","0.0003","11.372","0.0003","20.7255","0.0004","90","","90.632","0.002","90","","2886.54","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Cl6 N4 O Pb -","- C20 H38 Cl6 N4 O Pb -","- C80 H152 Cl24 N16 O4 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0146","0.0109","","","0.0242","0.0244","","","","","","1.064","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201705","17.7932","0.0006","11.6083","0.0004","7.8582","0.0002","90","","90","","90","","1623.1","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H20 Cl4 Cu N2 -","- C11 H20 Cl4 Cu N2 -","- C44 H80 Cl16 Cu4 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.018","0.0161","","","0.04","0.0402","","","","","","1.066","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201706","6.2815","0.0002","10.2466","0.0006","13.925","0.0008","90","","95.672","0.004","90","","891.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17.4 Cl6 Cu2 N2.2 -","- C10 H17.4 Cl6 Cu2 N2.2 -","- C20 H34.8 Cl12 Cu4 N4.4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0337","0.0232","","","0.052","0.0544","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201707","20.384","0.002","8.4343","0.0009","6.9922","0.0008","90","","93.669","0.009","90","","1199.7","0.2","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C24 H40 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.028","0.0157","","","0.0283","0.0298","","","","","","0.833","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201708","13.7786","0.0006","34.1194","0.0014","18.7021","0.0007","90","","90","","90","","8792.2","0.6","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C255 H88 Cl17 N33 Pb3 -","- C55 H88 Cl17 N33 Pb3 -","- C220 H352 Cl68 N132 Pb12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0701","0.029","","","0.0576","0.0826","","","","","","0.907","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201709","6.2678","0.0008","10.9577","0.0015","12.7211","0.0018","72.358","0.012","79.396","0.011","75.428","0.012","800.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cl6 Hg2 N2 O -","- C6 H12 Cl6 Hg2 N2 O -","- C12 H24 Cl12 Hg4 N4 O2 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.023","0.0177","","","0.0439","0.0558","","","","","","1.213","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201710","7.4183","0.0005","8.2559","0.0006","10.1905","0.0007","82.378","0.006","79.922","0.005","84.856","0.006","607.64","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Bi Cl4 N3 -","- C6 H6 Bi Cl4 N3 -","- C12 H12 Bi2 Cl8 N6 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0325","0.0245","","","0.0621","0.0753","","","","","","1.156","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201711","7.5046","0.0007","19.506","0.002","11.7808","0.0013","90","","96.597","0.008","90","","1713.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5H-dibenz(b,f)azepine-5-carboxamide)N,N-dimethyl acetamide solvate","[5H-dibenz(b,f)azepine-5-carboxamide]N,N-dimethyl acetamide solvate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.1056","0.0676","","","0.1435","0.1642","","","","","","1.167","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201712","7.5448","0.0004","19.5119","0.001","11.8783","0.0006","90","","98.013","0.003","90","","1731.57","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5H-dibenz(b,f)azepine-5-carboxamide) N-methylpyrrolidine solvate","[5H-dibenz(b,f)azepine-5-carboxamide] N-methylpyrrolidine solvate","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.103","0.0545","","","0.1","0.1174","","","","","","1.062","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201713","10.9242","0.0011","5.1617","0.0005","26.309","0.003","90","","100.104","0.002","90","","1460.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(5H-dibenz(b,f)azepine-5-carboxamide)nitromethane solvate","[5H-dibenz(b,f)azepine-5-carboxamide]nitromethane solvate","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.1119","0.0516","","","0.0902","0.1083","","","","","","1.057","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201714","10.067","0.005","10.289","0.005","17.046","0.007","76.54","0.03","88.64","0.03","85.93","0.03","1712.7","1.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Br2 Cl4 N2 S -","- C36 H24 Br2 Cl4 N2 S -","- C72 H48 Br4 Cl8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.053","","","","0.064","","","","","","1.83","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201715","10.204","0.005","10.564","0.005","15.804","0.007","104.64","0.03","99.74","0.03","93.26","0.03","1615.6","1.3","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br2 N2 O S -","- C38 H30 Br2 N2 O S -","- C76 H60 Br4 N4 O2 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.065","","","","0.082","","","","","","1.68","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201716","10.001","0.006","10.437","0.005","20.029","0.008","78.18","0.03","77.99","0.03","83.9","0.02","1997.1","1.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Br2 Cl2 N2 S -","- C46 H32 Br2 Cl2 N2 S -","- C92 H64 Br4 Cl4 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.059","","","","0.075","","","","","","1.63","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201717","10.085","0.004","10.509","0.004","15.811","0.006","106.24","0.02","100.09","0.02","92.01","0.02","1577.7","1.1","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Br2 Cl2 N2 S -","- C35 H24 Br2 Cl2 N2 S -","- C70 H48 Br4 Cl4 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.06","","","","0.077","","","","","","1.64","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201718","9.964","0.005","10.551","0.005","15.788","0.008","104.96","0.03","99.56","0.03","97.3","0.03","1555.9","1.4","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Br2 N2 S3 -","- C35 H22 Br2 N2 S3 -","- C70 H44 Br4 N4 S6 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.064","","","","0.071","","","","","","1.85","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201719","21.421","0.008","8.159","0.001","17.182","0.006","90","","116.29","0.02","90","","2692.4","1.5","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Br2 N2 S -","- C34 H22 Br2 N2 S -","- C136 H88 Br8 N8 S4 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.047","","","","0.073","","","","","","1.75","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201720","9.7356","0.0015","26.301","0.004","10.4093","0.0018","90","","109.84","0.004","90","","2507.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N2 S -","- C34 H24 N2 S -","- C136 H96 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","0.1687","0.0583","","","0.1199","0.1523","","","","","","0.902","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201723","12.964","0.003","10.681","0.002","22.543","0.005","90","","96.89","0.03","90","","3099","1.2","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-Di-(5H-dibenzo[a,d]cyclohepten-5-ol)-buta-1,3-diyne acetone inclusion compound","","- C40 H34 O4 -","- C40 H34 O4 -","- C160 H136 O16 -","4","0.5","","Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation","CrystEngComm","2008","10","3","322","","10.1039/b713769a","","","0.71073","MoKα","","0.0631","0.0392","","","0.095","0.1046","","","","","","1.056","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201724","12.037","0.002","8.1743","0.0016","16.658","0.003","90","","98.95","0.03","90","","1619.1","0.5","113","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Di-(5H-dibenzo[a,d]cyclohepten-5-ol)-buta-1,3-diyne pyridine inclusion compound","","- C44 H32 N2 O2 -","- C44 H32 N2 O2 -","- C88 H64 N4 O4 -","2","0.5","","Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation","CrystEngComm","2008","10","3","322","","10.1039/b713769a","","","0.71073","MoKα","","0.0986","0.0451","","","0.087","0.1011","","","","","","0.929","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201725","9.603","0.002","26.188","0.004","10.334","0.002","90","","109.838","0.003","90","","2444.6","0.8","150","","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 -","- C35 H26 N2 -","- C140 H104 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.65","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201726","10.34","0.004","13.73","0.004","14.37","0.005","102.34","0.02","92.6","0.02","102.99","0.02","1932.6","1.2","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 N2 -","- C54 H42 N2 -","- C108 H84 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.063","","","","0.067","","","","","","1.65","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201727","10.342","0.004","13.641","0.006","14.134","0.006","103.21","0.03","93.07","0.02","103.41","0.03","1876.3","1.4","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H35 Cl3 N2 -","- C48 H35 Cl3 N2 -","- C96 H70 Cl6 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.06","","","","0.066","","","","","","1.68","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201728","9.0337","0.0018","9.843","0.002","15.579","0.003","90","","91.85","0.03","90","","1384.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Hg N12 O0 -","- C10 H6 Hg N12 -","- C40 H24 Hg4 N48 -","4","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.71073","MoKα","","0.0267","0.0215","","","0.0443","0.046","","","","","","1.057","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201729","10.235","0.002","9.3638","0.0019","13.445","0.003","90","","93.34","0.03","90","","1286.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Hg N12 O0 -","- C10 H6 Hg N12 -","- C40 H24 Hg4 N48 -","4","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.71073","MoKα","","0.0265","0.0228","","","0.0436","0.0448","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201730","6.7077","0.0013","11.695","0.002","23.855","0.006","90","","90","","90","","1871.3","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Br Hg N6 -","- C5 H3 Br Hg N6 -","- C40 H24 Br8 Hg8 N48 -","8","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.7107","MoKα","","0.0833","0.0556","","","0.1342","0.1514","","","","","","1.007","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201735","9.7496","0.0009","19.3384","0.0012","13.2982","0.001","90","","103.445","0.003","90","","2438.5","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O4 -","- C23 H32 N6 O4 -","- C92 H128 N24 O16 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0553","","","","0.0734","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201736","7.395","0.004","11.218","0.006","20.202","0.01","90","","90","","90","","1675.9","1.5","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N5 O -","- C16 H23 N5 O -","- C64 H92 N20 O4 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0466","","","","0.0975","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201737","7.111","0.003","10.857","0.005","23.106","0.01","90","","93.241","0.004","90","","1781","1.4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N5 O2 -","- C16 H16 N5 O2 -","- C64 H64 N20 O8 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0601","","","","0.0989","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201738","10.049","0.005","12.328","0.007","12.493","0.007","61.25","0.02","85.985","0.019","88.86","0.02","1353.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N4 O5 Zn -","- C30 H28 N4 O5 Zn -","- C60 H56 N8 O10 Zn2 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0837","0.0569","","","0.1391","0.1573","","","","","","1.094","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201739","10.2794","0.0008","18.8728","0.0014","15.7393","0.0012","90","","98.595","0.002","90","","3019.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O5 Zn -","- C30 H28 N4 O5 Zn -","- C120 H112 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1974","0.064","","","0.1364","0.1865","","","","","","0.932","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201740","10.3356","0.0003","15.3573","0.0003","17.2719","0.0006","90","","90","","90","","2741.52","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C120 H104 Cd4 N16 O16 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0826","0.0428","","","0.0914","0.1076","","","","","","0.933","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201741","9.152","0.003","15.389","0.005","19.91","0.007","90","","92.134","0.007","90","","2802.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N4 O5 Zn -","- C30 H26 N4 O5 Zn -","- C120 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.058","0.0379","","","0.0888","0.0981","","","","","","1.038","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201742","10.121","0.006","15.47","0.009","17.597","0.001","90","","90","","90","","2755","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O5 -","- C30 H26 Cd N4 O5 -","- C120 H104 Cd4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.122","0.0561","","","0.1052","0.1314","","","","","","0.926","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201743","17.042","0.005","10.357","0.004","14.27","0.004","90","","90","","90","","2518.7","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 N4 O5 Zn -","- C26 H26 N4 O5 Zn -","- C104 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.054","0.0356","","","0.0759","0.0818","","","","","","1.016","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201744","16.091","0.006","16.091","0.006","8.041","0.004","90","","90","","90","","2082","1.5","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","0.5","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1678","0.0847","","","0.1273","0.1511","","","","","","1.107","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201745","9.5205","0.0019","9.4077","0.0019","11.694","0.002","90","","98.11","0.03","90","","1036.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 Ni O6 -","- C24 H20 N2 Ni O6 -","- C48 H40 N4 Ni2 O12 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0269","0.0243","","","0.0614","0.0622","","","","","","1.054","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201746","9.915","0.002","12.442","0.003","17.504","0.004","90","","104.17","0.03","90","","2093.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O5 -","- C24 H16 N2 Ni O5 -","- C96 H64 N8 Ni4 O20 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0747","0.0511","","","0.1356","0.1486","","","","","","1.109","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201747","9.5166","0.0019","9.4361","0.0019","11.74","0.002","90","","98.19","0.03","90","","1043.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N2 O6 -","- C24 H20 Co N2 O6 -","- C48 H40 Co2 N4 O12 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0288","0.0262","","","0.0706","0.0721","","","","","","1.082","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201748","9.917","0.002","12.4","0.003","17.506","0.004","90","","104.19","0.03","90","","2087","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O5 Zn -","- C24 H18 N2 O5 Zn -","- C96 H72 N8 O20 Zn4 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.1758","0.0679","","","0.1306","0.1637","","","","","","0.972","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201749","9.0261","0.0018","10.445","0.002","10.763","0.002","90","","100.65","0.03","90","","997.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cu N2 O4 -","- C24 H16 Cu N2 O4 -","- C48 H32 Cu2 N4 O8 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.116","0.0702","","","0.1567","0.2035","","","","","","1.129","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201750","8.9065","0.0018","10.509","0.002","20.801","0.004","90","","94.5","0.03","90","","1940.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0385","0.0292","","","0.0637","0.0668","","","","","","1.069","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201751","9.956","0.002","13.411","0.003","24.079","0.005","93.28","0.03","91.31","0.03","93.43","0.03","3202.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H56 Gd2 N6 O16 -","- C72 H56 Gd2 N6 O16 -","- C144 H112 Gd4 N12 O32 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.1712","0.0917","","","0.2098","0.2587","","","","","","0.994","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201754","3.7956","0.0001","11.9933","0.0003","14.9907","0.0004","90","","90.631","0.003","90","","682.36","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-Fluoroisatin Form I","7-Fluoroisatin Form I","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.0388","0.0304","","","0.0784","0.0817","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201755","8.1207","0.0013","8.2351","0.0015","12.394","0.004","70.87","0.02","85.834","0.017","61.023","0.017","681.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","7-Fluoroisatin Form II","7-Fluoroisatin Form II","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","2","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.0554","0.034","","","0.0746","0.0815","","","","","","1.04","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201756","7.1988","0.0003","12.7677","0.0005","14.9468","0.0007","90","","91.702","0.003","90","","1373.19","0.1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","7-Fluoroisatin Form III","7-Fluoroisatin Form III","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C64 H32 F8 N8 O16 -","8","2","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.1265","0.0787","","","0.1514","0.1757","","","","","","1.168","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201757","48.1953","0.001","8.2248","0.0002","7.9892","0.0002","90","","90","","90","","3166.89","0.13","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C28 H36 Cd Cl6 N4 -","- C27.995 H36 Cd Cl6 N4 -","- C111.98 H144 Cd4 Cl24 N16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0771","0.0693","","","0.1715","0.1776","","","","","","1.13","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201758","29.3171","0.0015","6.7258","0.0002","10.7881","0.0004","90","","90","","90","","2127.21","0.15","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C12 H10 Cd Cl8 N2 O3 -","- C12 H10 Cd Cl7.99 N2 O3 -","- C48 H40 Cd4 Cl31.96 N8 O12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0585","0.0498","","","0.1119","0.1135","","","","","","1.356","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201759","25.3329","0.0009","6.7202","0.0002","18.5449","0.0005","90","","90","","90","","3157.12","0.17","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H24 Cl10 Cu N4 O2 -","- C24 H24 Cl10 Cu N4 O2 -","- C96 H96 Cl40 Cu4 N16 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0376","0.0264","","","0.0545","0.0557","","","","","","0.938","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201760","10.8203","0.0009","13.0489","0.001","29.142","0.002","90","","91.024","0.006","90","","4114","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl8 Cu N2 O2 -","- C12 H10 Cl8 Cu N2 O2 -","- C96 H80 Cl64 Cu8 N16 O16 -","8","2","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1588","0.0948","","","0.2834","0.323","","","","","","0.957","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201761","23.7172","0.0016","6.6016","0.0006","23.7876","0.0016","90","","107.361","0.006","90","","3554.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl4 Hg N2 -","- C14 H18 Cl4 Hg N2 -","- C112 H144 Cl32 Hg8 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0642","0.0282","","","0.066","0.0842","","","","","","0.986","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201762","28.384","0.006","8.0158","0.0016","7.7897","0.0016","90","","91.8","0.03","90","","1771.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl4 N2 Pb -","- C14 H18 Cl4 N2 Pb -","- C56 H72 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1138","0.099","","","0.3082","0.3334","","","","","","1.358","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201763","34.087","0.007","7.9663","0.0012","7.6109","0.0012","90","","97.438","0.015","90","","2049.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl4 N Pb -","- C6 H6 Cl4 N Pb -","- C48 H48 Cl32 N8 Pb8 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1172","0.0998","","","0.3079","0.3237","","","","","","1.227","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201764","9.6773","0.0005","21.6939","0.0009","9.3825","0.0006","90","","115.312","0.002","90","","1780.64","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu La N2 O9.5 -","- C14 H8 Cu La N2 O9.5 -","- C56 H32 Cu4 La4 N8 O38 -","4","1","","Cheng, Jian-Wen; Zheng, Shou-Tian; Liu, Wei; Yang, Guo-Yu","An unusual eight-connected self-penetrating ilc net constructed by dinuclear lanthanide building units","CrystEngComm","2008","10","6","765","","10.1039/b715058j","","","0.71073","MoKα","","0.0323","0.0293","","","0.0752","0.0773","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201765","19.8553","0.0005","7.898","0.0002","17.0579","0.0004","90","","95.904","0.001","90","","2660.78","0.11","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 F3 I N2 O2 -","- C11 H8 F3 I N2 O2 -","- C88 H64 F24 I8 N16 O16 -","8","1","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0793","0.0374","","","0.093","0.1143","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201766","7.9355","0.0003","7.9685","0.0003","11.1563","0.0005","88.762","0.002","81.264","0.002","61.612","0.001","612.39","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C22 H22 I2 N4 O4 -","2","1","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0744","0.0491","","","0.1781","0.1973","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201767","19.9387","0.0006","19.9387","0.0006","6.7572","0.0003","90","","90","","90","","2686.34","0.17","93","2","93","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C44 H20 F24 I4 N8 O8 -","- C44 H20 F24 I4 N8 O8 -","- C88 H40 F48 I8 N16 O16 -","2","0.25","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0463","0.0374","","","0.098","0.1057","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201768","7.143","0.002","6.409","0.001","15.748","0.003","90","","90.14","0.03","90","","720.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N2 O -","- C7 H11 N2 O -","- C28 H44 N8 O4 -","4","1","","Muniz-Miranda, Maurizio; Pagliai, Marco; Cardini, Gianni; Messori, Luigi; Bruni, Bruno; Casini, Angela; Di Vaira, Massimo; Schettino, Vincenzo","A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state","CrystEngComm","2008","","","","","10.1039/b715131d","","","1.5418","CuKα","","0.0953","0.089","","","0.2484","0.2523","","","","","","1.099","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201769","7.8047","0.001","17.461","0.002","13.908","0.0017","90","","122.842","0.006","90","","1592.4","0.4","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL2](cdm)","","","- C32 H28 Cu N10 O6 -","- C32 H28 Cu N10 O6 -","- C64 H56 Cu2 N20 O12 -","2","0.5","","Turner, David R.; Batten, Stuart R.","A guest-templated (6,3)-sheet constructed using asymmetric hydrogen-bonding anions","CrystEngComm","2008","10","2","170","","10.1039/b715135g","","","0.71073","MoKα","","0.1174","0.0863","","","0.1596","0.175","","","","","","1.218","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201770","5.792","0.0004","9.9488","0.0007","12.1657","0.0008","98.753","0.002","103.129","0.001","91.122","0.001","673.69","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.1151","0.058","","","0.1494","0.1851","","","","","","1.021","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201771","6.4295","0.0003","9.885","0.0004","21.8431","0.0009","90","","93.739","0.003","90","","1385.3","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O6 -","- C30 H36 N4 O6 -","- C60 H72 N8 O12 -","2","0.5","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.0835","0.0523","","","0.1199","0.1337","","","","","","1.085","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201772","5.8375","0.0001","15.957","0.0002","10.3299","0.00001","90","","95.814","0.001","90","","957.27","0.02","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.096","0.0578","","","0.1495","0.1702","","","","","","1.083","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201773","7.8176","0.0015","7.8319","0.0017","14.98","0.003","93.936","0.01","90.901","0.008","94.753","0.009","911.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.0805","0.0509","","","0.1365","0.1604","","","","","","1.021","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201774","7.693","0.003","7.816","0.004","15.076","0.007","94.028","0.012","90.878","0.011","94.675","0.014","901","0.7","145","2","145","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.0711","0.0473","","","0.1325","0.1512","","","","","","1.054","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201775","27.558","0.011","7.783","0.004","16.868","0.006","95.689","0.014","94.632","0.019","94.56","0.02","3574","3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C160 H112 F48 O32 -","16","8","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.1145","0.059","","","0.1466","0.1749","","","","","","1.033","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201776","6.7881","0.0014","8.4503","0.0015","11.744","0.002","86.875","0.014","86.256","0.015","88.459","0.015","671","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N8 O7 Pb -","- C10 H6 N8 O7 Pb -","- C20 H12 N16 O14 Pb2 -","2","1","","Sattar, Simeen; Carroll, Megan J.; Sargeant, Amy A.; Swift, Jennifer A.","Structure of a lead urate complex and its effect on the nucleation of monosodium urate monohydrate","CrystEngComm","2008","10","2","155","","10.1039/b715586g","","","0.71073","MoKα","","0.0698","0.0554","","","0.1245","0.1349","","","","","","1.083","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201777","12.6319","0.0015","9.5554","0.0014","11.0036","0.0022","90","","90","","90","","1328.2","0.4","293","","","","4780000","","","","","","","4","P c a 21","P 2c -2ac","29","cyclotrimethylene-trinitramine","cyclotrimethylene-trinitramine","","- C3 D6 N6 O6 -","- C3 D6 N6 O6 -","- C24 D48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201778","12.565","0.0019","9.4769","0.0006","10.9297","0.0009","90","","90","","90","","1301.5","0.2","293","","293","","","","5200000","","","","","4","P c a 21","P 2c -2ac","29","","cyclotrimethylene-trinitramine","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","","","0.671","Synchrotron","","0.0893","0.0717","","0.1809","0.1723","0.1809","","","","","","0.8652","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201780","11.1193","0.0012","11.2473","0.0012","11.362","0.0012","75.651","0.002","66.119","0.001","76.991","0.002","1246.2","0.2","165","2","165","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H20 Co3 N2 O15.5 -","- C14.5 H7 Co3 N2 O15.5 -","- C29 H14 Co6 N4 O31 -","2","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing porous frameworks from one-dimensional cobalt‒oxygen clusters and pyridinedicarboxylate ligands adopting two rare coordination modes","CrystEngComm","2008","10","2","173","","10.1039/b715808d","","","0.71073","MoKα","","0.056","0.0468","","","0.1259","0.1325","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201781","11.1575","0.0008","11.2606","0.0008","11.424","0.0009","76.762","0.001","65.814","0.001","80.68","0.001","1270.77","0.16","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Co3 N2 O11 -","- C14 H8 Co3 N2 O11 -","- C28 H16 Co6 N4 O22 -","2","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing porous frameworks from one-dimensional cobalt‒oxygen clusters and pyridinedicarboxylate ligands adopting two rare coordination modes","CrystEngComm","2008","10","2","173","","10.1039/b715808d","","","0.71073","MoKα","","0.0263","0.0243","","","0.0696","0.0706","","","","","","1.081","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201783","20.7677","0.0006","20.7677","0.0006","70.979","0.002","90","","90","","120","","26511.7","1.3","213.1","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C199 H224 N8 O16 -","- C198.99 H222.9 N8 O15.96 -","- C1193.94 H1337.4 N48 O95.76 -","6","0.166667","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.1395","","","","0.3228","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201784","24.3976","0.0004","14.4444","0.0003","24.3798","0.0004","90","","94.7956","0.0008","90","","8561.6","0.3","213.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C384 H432 N16 O32 -","16","2","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.0758","","","","0.2294","","","","","","1.224","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201785","14.9227","0.0011","4.41484","0.00007","10.3539","0.0003","90","","105.55","0.003","90","","657.16","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","p-azoxyanisole form II","","","?","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","0.5","","Janbon, Sophie; Davey, Roger J.; Shankland, Kenneth","The crystal structure of a metastable polymorph of para-azoxyanisole","CrystEngComm","2008","10","3","279","","10.1039/b715934j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201786","11.241","0.0007","5.4821","0.0004","13.7463","0.0012","90","","107.108","0.003","90","","809.62","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","0.71073","MoKα","","0.0967","0.0494","","","0.1058","0.123","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201787","11.348","0.003","5.881","0.003","12.376","0.005","90","","113.236","0.013","90","","759","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O8 -","- C20 H12 O8 -","- C40 H24 O16 -","2","0.5","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","0.71069","MoKα","","0.1911","0.0847","","","0.1815","0.2273","","","","","","1.047","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201788","11.3948","0.0004","5.97016","0.00019","12.4931","0.0005","90","","112.859","0.002","90","","783.15","0.05","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O8 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","1.54056","CuKα~1~","","","","","","","","","","0.48","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201789","5.4997","0.0004","13.5883","0.0009","30.125","0.002","90","","90","","90","","2251.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O7 S -","- C21 H29 N O7 S -","- C84 H116 N4 O28 S4 -","4","1","","Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard","Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base","CrystEngComm","2008","10","6","724","","10.1039/b715975g","","","0.71073","MoKα","","0.0899","0.048","","","0.1019","0.1298","","","","","","0.877","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201790","8.2078","0.0002","24.8368","0.0007","9.4738","0.0003","90","","111.853","0.001","90","","1792.51","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","","- C42 H33 Cl2 N O5 -","- C42 H33 Cl2 N O5 -","- C84 H66 Cl4 N2 O10 -","2","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1424","0.0584","","","0.1317","0.1565","","","","","","0.819","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201791","9.4204","0.0001","41.0982","0.0006","10.1701","0.0002","90","","91.8046","0.0007","90","","3935.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1674","0.0744","","","0.1915","0.2211","","","","","","1.025","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201792","6.201","0.0003","26.667","0.0012","14.197","0.0008","90","","105.012","0.0017","90","","2267.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-Oxa-I- azabicyclo(4.2.0) octan-8-one,7-hydroxy-7-phenyl clathrate","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-Oxa-I-azabicyclo[4.2.0] octan-8-one,7-hydroxy-7-phenyl clathrate","","- C54 H48 N2 O8 -","- C54 H48 N2 O8 -","- C108 H96 N4 O16 -","2","0.5","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.2152","0.0948","","","0.2364","0.2653","","","","","","1.234","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201793","13.6505","0.0004","18.1949","0.0008","10.6107","0.0006","90","","105.147","0.003","90","","2543.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-diphenylhydroquinone, 4-oxo(phenylacetyl)morpholine clathrate","2,5-diphenylhydroquinone, 4-oxo(phenylacetyl)morpholine clathrate","","- C30 H27 N O5 -","- C30 H27 N O5 -","- C120 H108 N4 O20 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.155","0.0577","","","0.145","0.1722","","","","","","0.919","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201794","9.7197","0.0003","20.9418","0.0007","15.7092","0.0004","90","","99.747","0.003","90","","3151.42","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetraphenyl-1,2-ethandiol, 1- (phenylglyoxylyl)piperidine clathrate","1,1,2,2-tetraphenyl-1,2-ethandiol, 1-(phenylglyoxylyl)piperidine clathrate","","- C39 H37 N O4 -","- C39 H37 N O4 -","- C156 H148 N4 O16 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.0588","0.0389","","","0.121","0.1388","","","","","","0.908","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201795","5.954","0.0002","27.507","0.0007","13.705","0.0005","90","","94.731","0.0009","90","","2236.91","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4- oxo(phenylacetyl)morpholine clathrate","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-oxo(phenylacetyl)morpholine clathrate","","- C54 H48 N2 O8 -","- C54 H48 N2 O8 -","- C108 H96 N4 O16 -","2","0.5","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1456","0.0482","","","0.1076","0.1321","","","","","","0.869","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201796","9.4158","0.0002","40.9669","0.001","10.249","0.0003","90","","91.7547","0.0016","90","","3951.56","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane, 1- (phenylglyoxylyl)piperidine clathrate","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3- dioxolane, 1-(phenylglyoxylyl)piperidine clathrate","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1436","0.0527","","","0.118","0.1543","","","","","","0.773","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201797","9.784","0.002","20.538","0.004","15.533","0.003","90","","100.602","0.008","90","","3068","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N O4 -","- C39 H37 N O4 -","- C156 H148 N4 O16 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.2813","0.1192","","","0.31","0.378","","","","","","0.961","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201798","39.698","0.016","48.359","0.019","3.8476","0.0016","90","","90","","90","","7386","5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C288 H240 N48 O144 -","48","3","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.1111","0.0361","","","0.0513","0.0612","","","","","","0.813","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201799","3.7455","0.0019","7.257","0.004","11.424","0.006","90","","95.881","0.009","90","","308.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","1","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.0706","0.0525","","","0.1262","0.1345","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201800","11.6555","0.0004","14.5125","0.0005","14.5394","0.0005","76.216","0.001","71.198","0.001","81.153","0.001","2253.12","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Co2 Cu11 I15 N12 -","- C72 H48 Co2 Cu11 I15 N12 -","- C72 H48 Co2 Cu11 I15 N12 -","1","0.5","","Tershansy, Meredith A.; Goforth, Andrea M.; Ellsworth, Joseph M.; Smith, Mark D.; zur Loye, Hans-Conrad","[Co(phen3)]2[Cu11I15]: a mixed-metal iodocuprate containing the novel [Cu10I15]5− and [Cu12I15]3− clusters","CrystEngComm","2008","10","7","833","","10.1039/b716031c","","","0.71073","MoKα","","0.0418","0.0347","","","0.0761","0.0792","","","","","","1.05","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201802","19.044","0.0018","23.3714","0.0019","24.3644","0.0018","102.521","0.006","104.366","0.007","110.736","0.007","9252.5","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C195 H232 N16 O24 S4 -","- C195 H232 N16 O24 S4 -","- C390 H464 N32 O48 S8 -","2","1","","Bolte, Michael; Thondorf, Iris; Böhmer, Volker; Rudzevich, Valentyn; Rudzevich, Yuliya","Heterodimeric capsules formed by tetratosyl and tetratolyl urea calix[4]arenes","CrystEngComm","2009","","","","","10.1039/b716368a","","","0.71073","MoKα","","0.2684","0.0975","","","0.1794","0.2504","","","","","","0.911","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201803","8.601","0.0008","9.0012","0.0008","9.908","0.001","84.754","0.002","83.338","0.002","74.795","0.002","733.73","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ZnPO-CJ36","","","- C6 H13 N3 O11 P2 Zn2 -","- C6 H13 N3 O11 P2 Zn2 -","- C12 H26 N6 O22 P4 Zn4 -","2","1","","Zhao, Lang; Li, Jiyang; Chen, Peng; Dong, Zhaojun; Yu, Jihong; Xu, Ruren","(C6H10N3O2)Zn2(HPO4)(PO4)·H2O: An inorganic network with biofunctional amino acid dl-histidine molecules","CrystEngComm","2008","10","5","497","","10.1039/b716397e","","","0.71073","MoKα","","0.0354","0.0291","","","0.0713","0.0743","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201804","9.1871","0.0005","10.5741","0.0006","12.596","0.0007","81.281","0.001","88.918","0.001","86.256","0.001","1206.87","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","phenylethylammonium fumarate-fumaric acid","","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C48 H60 N4 O16 -","2","1","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.71073","MoKα","","0.0362","0.0339","","","0.0921","0.0942","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201805","9.3231","0.0003","10.8304","0.0004","12.703","0.0005","80.931","0.003","86.268","0.003","88.868","0.003","1263.88","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phenylethylamine succinate-succinic acid","","","- C24 H34 N2 O8 -","- C24 H34 N2 O8 -","- C48 H68 N4 O16 -","2","1","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.7107","MoKα","","0.0628","0.0439","","","0.1309","0.1374","","","","","","1.1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201806","9.2426","0.0011","10.3797","0.0012","10.4421","0.0012","83.59","0.002","89.104","0.002","85.167","0.002","991.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","anilinium fumarate-fumaric acid","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","2","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.71073","MoKα","","0.0587","0.0438","","","0.1","0.1096","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201807","8.767","0.0003","10.911","0.0004","18.319","0.0006","90","","90","","90","","1752.34","0.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br3 O -","- C19 H13 Br3 O -","- C76 H52 Br12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0695","0.0348","","","0.0544","0.0595","","","","","","0.808","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201808","8.83","0.0003","11.2826","0.0004","19.1611","0.0006","90","","90","","90","","1908.93","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 I3 O -","- C19 H13 I3 O -","- C76 H52 I12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0289","0.0276","","","0.0712","0.0718","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201809","12.2182","0.0004","20.479","0.0005","8.5939","0.0002","90","","90","","90","","2150.34","0.1","193","2","193","2","","","","","","","","5","A b m 2","A 2 -2b","39","","","","- C20 H15 Cl2 I3 O -","- C20 H15 Cl2 I3 O -","- C80 H60 Cl8 I12 O4 -","4","","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0282","0.0273","","","0.0751","0.0756","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201810","6.4517","0.0002","12.7694","0.0003","13.9219","0.0003","105.763","0.001","100.976","0.001","96.771","0.001","1066.01","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 I3 O -","- C22 H16 I3 O -","- C44 H32 I6 O2 -","2","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0338","0.0278","","","0.0691","0.0726","","","","","","1.032","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201811","7.067","0.007","14.125","0.014","10.167","0.01","90","","93.27","0.016","90","","1013.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 Cu O9 -","- C4 H13 Cu O9 -","- C16 H52 Cu4 O36 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0395","0.0347","","","0.0837","0.0861","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201812","28.016","0.007","28.192","0.013","8.097","0.013","90","","90","","90","","6395","11","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H20 Ni2 O15 -","- C8 H18 Ni2 O15 -","- C128 H288 Ni32 O240 -","16","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0348","0.0299","","","0.0651","0.0673","","","","","","1.022","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201813","13.908","0.002","8.409","0.001","13.042","0.002","90","","90","","90","","1525.3","0.4","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C4 H6 O6.5 Zn -","- C4 H4 O6.5 Zn -","- C32 H32 O52 Zn8 -","8","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0726","0.057","","","0.1241","0.1327","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201814","7.702","0.001","9.705","0.002","10.387","0.005","79.397","0.003","72.326","0.006","68.933","0.005","687.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mn N2 O5 -","- C14 H13 Mn N2 O5 -","- C28 H26 Mn2 N4 O10 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0659","0.0461","","","0.123","0.1555","","","","","","1.072","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201815","7.655","0.005","9.7","0.007","11.09","0.006","84.068","0.002","70.758","0.002","68.703","0.003","724.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Mn N2 O5 -","- C16 H13 Mn N2 O5 -","- C32 H26 Mn2 N4 O10 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.063","0.0431","","","0.1102","0.1198","","","","","","1.11","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201816","11.268","0.009","13.002","0.001","14.379","0.001","90","","101.938","0.002","90","","2061.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6.5 Zn -","- C18 H22 N4 O6.5 Zn -","- C72 H88 N16 O26 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0795","0.055","","","0.1463","0.1623","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201817","10.758","0.007","7.158","0.004","16.4","0.001","90","","98.922","0.001","90","","1247.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 Zn -","- C11 H12 N2 O5 Zn -","- C44 H48 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0497","0.0331","","","0.0903","0.1165","","","","","","1.126","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201818","8.4244","0.0017","17.647","0.004","11.247","0.002","90","","104.33","0.03","90","","1620","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N4 O5 Zn -","- C14 H6 N4 O5 Zn -","- C56 H24 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71073","MoKα","","0.0686","0.0496","","","0.1214","0.1316","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201819","8.348","0.007","17.557","0.015","11.288","0.009","90","","103.519","0.001","90","","1609","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Co N4 O5 -","- C14 H6 Co N4 O5 -","- C56 H24 Co4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0759","0.0503","","","0.1272","0.1416","","","","","","1.012","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201821","22.9258","0.0008","22.9258","0.0008","19.46","0.0007","90","0.002","90","0.002","120","0.002","8857.7","0.6","123","2","123","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1454","0.0901","","","0.2838","0.346","","","","","","1.245","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201822","22.64","0.0011","22.64","0.0011","19.219","0.003","90","","90","","120","","8531.3","1.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1866","0.1046","","","0.2704","0.3427","","","","","","1.142","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7201823","7.0121","0.0001","8.8234","0.0001","12.7646","0.0002","90","","90","","90","","789.753","0.019","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Borissova, Alexandra O.; Antipin, Mikhail Yu.; Perekalin, Dmirtrii S.; Lyssenko, Konstantin A.","Crucial role of Ru⋯H interactions in the crystal packing of ruthenocene and its derivatives","CrystEngComm","2008","10","7","827","","10.1039/b716776h","","","0.71073","MoKα","","0.0289","0.0193","","","0.0349","0.038","","","","","","1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201824","9.105","0.001","12.948","0.001","13.991","0.002","90","","91.51","0.01","90","","1648.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cd N2 O4 -","- C16 H12 Cd N2 O4 -","- C64 H48 Cd4 N8 O16 -","4","1","","Michaelides, Adonis; Skoulika, Stavroula; Siskos, Michael G.","Designed self-assembly of a reactive metal‒organic framework with quasi α-Po topology","CrystEngComm","2008","10","7","817","","10.1039/b716847k","","","0.71073","MoKα","","0.0881","0.0487","","","0.1092","0.1271","","","","","","0.963","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201825","16.6305","0.0004","16.7308","0.0005","24.0702","0.0005","90","","90","","90","","6697.3","0.3","120","2","120","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","15,22-bis(dimethoxyphosphoryl)-2,5,8-trioxa- 16,21-diazatricyclo[21.4.0.0^9,14^]heptacosa- 9,11,13,23,25,27(1)-hexaene tetrahydrofuran methanol","","- C31 H52 N2 O11 P2 -","- C31 H52 N2 O11 P2 -","- C248 H416 N16 O88 P16 -","8","2","","Bilge, Selen; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Zeynel; Rutherford, John S.; Shaw, Robert A.","Clathrate and channel inclusion systems co-exist in the crystal structure of a bis-C-pivot macrocycle (Z′ = 2)","CrystEngComm","2008","10","7","873","","10.1039/b716882a","","","0.71073","MoKα","","0.1371","0.0893","","","0.2263","0.2658","","","","","","1.016","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201827","12.2422","0.0009","19.391","0.0014","23.0235","0.0015","90","","110.618","0.003","90","","5115.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zn3(NH2DBC)3(DMF)5","","","- C39 H54 N8 O19 Zn3 -","- C39 H54 N8 O19 Zn3 -","- C156 H216 N32 O76 Zn12 -","4","1","","Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming","Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units","CrystEngComm","2008","10","6","753","","10.1039/b716922a","","","0.71073","MoKα","","0.1367","0.1036","","","0.2854","0.3201","","","","","","1.037","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201828","34.622","0.007","10.432","0.002","18.032","0.004","90","","100.95","0.004","90","","6394","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd3(NH2DBC)4(Me2NH2)2(DMF)2(H2O)2.5","","","- C42 H56 Cd3 N8 O20.5 -","- C42 H56 Cd3 N8 O20.5 -","- C168 H224 Cd12 N32 O82 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming","Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units","CrystEngComm","2008","10","6","753","","10.1039/b716922a","","","0.71073","MoKα","","0.0695","0.0556","","","0.1484","0.1581","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201829","5.82141","0.00004","5.8545","0.00004","13.85255","0.00009","90","","90","","90","","472.115","0.006","2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","perdeuteroalloxan","perdeuteroalloxan","","- C4 D2 N2 O4 -","- C4 D2 N2 O4 -","- C16 D8 N8 O16 -","4","1","","Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K.","Alloxan—a new low-temperature phase determined by neutron powder diffraction","CrystEngComm","2008","10","5","465","","10.1039/b716960d","powder diffraction","neutron","","time-of-flightneutron","","","","","","","","0.04559","","1.67","","","","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201830","11.663","0.0018","6.008","0.001","13.328","0.002","90","","92.231","0.008","90","","933.2","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.51091","synchrotron","","0.0568","0.0529","","0.0594","0.0576","0.0576","","","","","","0.9603","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201831","9.386","0.001","11.4412","0.0004","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0776","0.0453","","0.0472","0.0442","0.0442","","","","","","1.0831","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201832","11.663","0.0018","6.008","0.001","17.365","0.002","90","","129.922","0.008","90","","933.2","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.51091","synchrotron","","0.0576","0.0552","","0.0569","0.056","0.056","","","","","","0.9396","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201833","11.4412","0.0004","9.386","0.001","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0772","0.0607","","0.0519","0.0506","0.0506","","","","","","1.0708","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201841","7.577","0.0008","11.0722","0.0013","15.26","0.002","90","","90.809","0.011","90","","1280.1","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(4-pyridinium)ethane saccharinate (1:2)","","","- C26 H22 N4 O6 S2 -","- C26 H22 N4 O6 S2 -","- C52 H44 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.047","","","","0.14","","","","","","1.1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201842","13.161","0.002","5.251","0.002","18.59","0.012","90","","106.828","0.003","90","","1229.7","0.9","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(4-pyridinium)ethylene saccharinate (1:2)","","","- C26 H20 N4 O6 S2 -","- C26 H20 N4 O6 S2 -","- C52 H40 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.062","","","","0.093","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201843","11.1261","0.001","9.3971","0.0008","9.6281","0.001","90","","99.489","0.004","90","","992.87","0.16","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O6 S2 -","- C18 H20 N4 O6 S2 -","- C36 H40 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.0401","","","","0.053","","","","","","0.945","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201844","7.973","0.002","15.413","0.003","9.293","0.002","90","","104.555","0.01","90","","1105.3","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-Dimethylpiperazinium saccharinate (1:2)","","","- C20 H24 N4 O6 S2 -","- C20 H24 N4 O6 S2 -","- C40 H48 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.066","","","","0.127","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201845","9.635","0.002","13.385","0.004","14.149","0.003","105.658","0.003","91.773","0.002","110.444","0.002","1630.4","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","2,2'-dipyridiniumamine saccharinate (1:1)","","","- C17 H14 N4 O3 S -","- C17 H14 N4 O3 S -","- C68 H56 N16 O12 S4 -","4","2","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.052","","","","0.052","","","","","","1.255","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201846","8.3397","0.0007","10.5367","0.0009","11.5415","0.001","71.781","0.002","72.749","0.002","78.765","0.002","914.16","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu I N2 S3 -","- C16 H14 Cu I N2 S3 -","- C32 H28 Cu2 I2 N4 S6 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0834","0.0585","","","0.1143","0.1251","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201847","10.0063","0.0006","14.6856","0.0008","15.2104","0.0009","88.738","0.001","80.324","0.001","81.463","0.001","2178.9","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cu2 I2 N4 S6 -","- C39 H28 Cu2 I2 N4 S6 -","- C78 H56 Cu4 I4 N8 S12 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.073","0.0527","","","0.1178","0.1322","","","","","","1.114","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201848","12.7209","0.0006","13.0515","0.0006","16.7648","0.0008","68.655","0.001","70.397","0.001","68.19","0.001","2341.47","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Cl3 Cu I N2 S3 -","- C17 H15 Cl3 Cu I N2 S3 -","- C68 H60 Cl12 Cu4 I4 N8 S12 -","4","2","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0705","0.0504","","","0.1442","0.1562","","","","","","1.082","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201849","9.252","0.0015","16.453","0.003","14.991","0.003","90","","104.904","0.003","90","","2205.2","0.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 Cu I N2 S3 -","- C17 H16 Cl2 Cu I N2 S3 -","- C68 H64 Cl8 Cu4 I4 N8 S12 -","4","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0701","0.0485","","","0.1244","0.1368","","","","","","1.043","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201850","7.3357","0.0015","8.5934","0.0017","13.03","0.003","84.285","0.003","79.07","0.003","76.17","0.003","781.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 S3 -","- C16 H14 N2 S3 -","- C32 H28 N4 S6 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.043","0.0382","","","0.0998","0.1036","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201851","19.0501","0.001","14.5809","0.0008","19.5329","0.001","90","","90","","90","","5425.6","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C232 H232 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.063","0.034","","","0.072","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201852","9.5246","0.0006","11.8876","0.0007","13.279","0.0008","93.58","0.001","93.252","0.001","112.034","0.001","1385.75","0.15","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Au N2 O3 P S -","- C29 H28 Au N2 O3 P S -","- C58 H56 Au2 N4 O6 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.042","0.034","","","0.089","0.097","","","","","","1.02","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201853","8.8426","0.001","10.4687","0.0012","15.2214","0.0019","74.347","0.002","82.829","0.003","81.799","0.003","1337.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C58 H58 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.038","0.036","","","0.084","0.086","","","","","","1.12","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201854","9.7125","0.0008","11.0257","0.0009","14.7644","0.0012","111.187","0.002","103.553","0.002","97.693","0.002","1390.9","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C60 H62 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.051","0.042","","","0.106","0.114","","","","","","1.04","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201855","7.7818","0.0005","25.6944","0.0017","14.9227","0.001","90","","95.948","0.002","90","","2967.7","0.3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H28.5 Au Cl1.5 N2 O3 P S -","- C29.5 H28 Au Cl1.5 N2 O3 P S -","- C118 H112 Au4 Cl6 N8 O12 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.073","0.045","","","0.098","0.12","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201856","8.134","0.0006","13.8225","0.0011","13.8274","0.0011","117.394","0.002","98.515","0.002","101.882","0.002","1296.92","0.18","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.25 H26 Au N O1.25 P S -","- C27.25 H25.75 Au N O1.25 P S -","- C54.5 H51.5 Au2 N2 O2.5 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.053","0.04","","","0.101","0.126","","","","","","1.09","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201857","10.4994","0.0007","10.7694","0.0007","12.7755","0.0008","93.047","0.001","114.068","0.001","107.663","0.001","1230.54","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C54 H50 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.045","0.039","","","0.086","0.089","","","","","","1.06","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201858","8.1461","0.0004","13.6666","0.0006","13.685","0.0006","116.509","0.001","99.132","0.001","101.974","0.001","1277.56","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.5 H23.5 Au Cl1.5 N O P S -","- C26.5 H23.5 Au Cl1.5 N O P S -","- C53 H47 Au2 Cl3 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.052","0.047","","","0.117","0.12","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201859","18.801","0.0009","14.4703","0.0008","20.738","0.0011","90","","90","","90","","5641.9","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C240 H248 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.06","0.035","","","0.074","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201860","10.591","0.0013","27.184","0.003","10.6679","0.0013","90","","113.479","0.003","90","","2817.1","0.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C120 H124 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.053","0.035","","","0.08","0.087","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201861","9.7389","0.0006","15.5653","0.0011","18.5362","0.0013","90","","100.931","0.002","90","","2758.9","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C120 H124 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.078","0.05","","","0.103","0.121","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201862","9.7469","0.0006","13.9711","0.0008","22.0578","0.0013","73.618","0.001","82.218","0.001","83.664","0.001","2847","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28.25 Au N2 O3.125 P S -","- C29 H28 Au N2 O3.125 P S -","- C116 H112 Au4 N8 O12.5 P4 S4 -","4","2","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.088","0.045","","","0.102","0.13","","","","","","0.94","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201863","9.1522","0.0005","17.7973","0.0011","15.3855","0.0009","90","","102.508","0.001","90","","2446.6","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C108 H100 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.056","0.037","","","0.08","0.085","","","","","","1.05","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201864","39.7978","0.0003","39.7978","0.0003","10.1735","0.0002","90","","90","","120","","13954.7","0.3","203","2","203","2","","","","","","","","5","R 3 :H","R 3","146","Tris(aqua-ethanol-di(mu4-terephthaloyl-bis(L- phenylalaninato))dicopper(ii)) hydrate","Tris[aqua-ethanol-di(μ4-terephthaloyl- bis(L-phenylalaninato))dicopper(II)] hydrate","","- C163 H156 Cu6 N12 O70 -","- C162.99 H156 Cu6 N12 O70.03 -","- C488.97 H468 Cu18 N36 O210.09 -","3","0.333333","","Wisser, Barbara; Chamayou, Anne-Christine; Miller, Robert; Scherer, Wolfgang; Janiak, Christoph","A chiral C3-symmetric hexanuclear triangular-prismatic copper(ii) cluster derived from a highly modular dipeptidic N,N′-terephthaloyl-bis(S-aminocarboxylato) ligand","CrystEngComm","2008","10","5","461","","10.1039/b717207a","","","0.71073","MoKα","","0.1179","0.0579","","","0.0952","0.114","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201865","8.6831","0.0018","12.128","0.003","15.999","0.003","90","","90","","90","","1684.8","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn2 O14 -","- C10 H20 Mn2 O14 -","- C40 H80 Mn8 O56 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0408","0.0389","","","0.0897","0.0906","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201866","9.121","0.0019","9.3174","0.0019","10.414","0.002","90","","90","","90","","885","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0227","0.0223","","","0.0568","0.0569","","","","","","1.114","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201867","7.9539","0.0009","7.9539","0.0009","13.189","0.003","90","","90","","90","","834.4","0.2","273","2","273","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.038","0.0375","","","0.0966","0.097","","","","","","1.138","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201868","8.1839","0.0006","10.1779","0.0008","19.0655","0.0015","102.57","0.001","97.287","0.001","93.149","0.001","1531.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H23 N3 O10 S Zn -","- C34 H23 N3 O10 S Zn -","- C68 H46 N6 O20 S2 Zn2 -","2","1","","Gao, Xiao-Ming; Li, Dong-sheng; Wang, Ji-Jiang; Fu, Feng; Wu, Ya-Pan; Hu, Huai-Ming; Wang, Ji-Wu","A novel 1D armed-polyrotaxane chain constructed from a V-shaped tetracarboxylate ligand","CrystEngComm","2008","10","5","479","","10.1039/b717415b","","","0.71073","MoKα","","0.0469","0.0349","","","0.094","0.0977","","","","","","1.098","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201869","15.585","0.0016","20.081","0.002","19.023","0.002","90","","94.118","0.001","90","","5938.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu10 Ge2 N16 O71 W18 -","- C80 H64 Cu10 Ge2 N16 O71 W18 -","- C160 H128 Cu20 Ge4 N32 O142 W36 -","2","0.5","","Wang, Jingping; Du, Juan; Niu, Jingyang","Novel hexanuclear copper(ii)-substituted dimeric tungstogermanates","CrystEngComm","2008","10","8","972","","10.1039/b717567a","","","0.71073","MoKα","","0.0588","0.0365","","","0.0726","0.0784","","","","","","1.004","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201870","16.3328","0.0018","20.719","0.002","18.566","0.002","90","","92.293","0.002","90","","6277.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H68 Cu10 Ge2 N16 O70 W18 -","- C96 H64 Cu10 Ge2 N16 O70 W18 -","- C192 H128 Cu20 Ge4 N32 O140 W36 -","2","0.5","","Wang, Jingping; Du, Juan; Niu, Jingyang","Novel hexanuclear copper(ii)-substituted dimeric tungstogermanates","CrystEngComm","2008","10","8","972","","10.1039/b717567a","","","0.71073","MoKα","","0.0768","0.0468","","","0.0921","0.1015","","","","","","0.885","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201875","13.579","0.01","19.011","0.011","19.341","0.01","90","","109.96","0.05","90","","4693","5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Pt(4'-(o-Cl-Ph)terpy)CN)SbF6","","","- C22 H14 Cl F6 N4 Pt Sb -","- C22 H14 Cl F6 N4 Pt Sb -","- C176 H112 Cl8 F48 N32 Pt8 Sb8 -","8","2","","Field, John S.; Ledwaba, Lesibana P.; Munro, Orde Q.; McMillin, David R.","Crystal structures and photoluminescent properties of the orange and yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of concomitant polymorphism","CrystEngComm","2008","10","6","740","","10.1039/b717655d","","","0.71073","MoKα","","0.0864","0.0533","","","0.1353","0.1557","","","","","","0.874","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201876","7.35","0.004","20.328","0.006","15.512","0.005","90","","102.55","0.03","90","","2262.3","1.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Pt(4'-(o-Cl-Ph)terpy)CN)SbF6","","","- C22 H14 Cl F6 N4 Pt Sb -","- C22 H14 Cl F6 N4 Pt Sb -","- C88 H56 Cl4 F24 N16 Pt4 Sb4 -","4","1","","Field, John S.; Ledwaba, Lesibana P.; Munro, Orde Q.; McMillin, David R.","Crystal structures and photoluminescent properties of the orange and yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of concomitant polymorphism","CrystEngComm","2008","10","6","740","","10.1039/b717655d","","","0.71073","MoKα","","0.0426","0.0384","","","0.1279","0.1322","","","","","","1.057","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201877","11.0638","0.0011","12.9848","0.0011","19.8264","0.0008","73.838","0.015","73.607","0.011","87.276","0.018","2623","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H115 N6 O42.5 S6 -","- C96 H78 N6 O42.5 S6 -","- C96 H78 N6 O42.5 S6 -","1","0.5","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.7107","MoKα","","0.1002","0.0881","","","0.2268","0.2366","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201878","12.131","0.002","12.741","0.002","17.734","0.003","102.191","0.003","103.227","0.004","90.24","0.002","2604.1","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H120 N6 O51 S6 -","- C96 H114 N6 O51 S6 -","- C96 H114 N6 O51 S6 -","1","0.5","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.7107","MoKα","","0.074","0.0559","","","0.1346","0.1469","","","","","","1.071","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201879","12.9696","0.0016","23.274","0.003","20.884","0.003","90","","103.405","0.002","90","","6132.2","1.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 N3 O25 S4 -","- C55 H44 N3 O25 S4 -","- C220 H176 N12 O100 S16 -","4","1","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.71073","MoKα","","0.1223","0.0719","","","0.2049","0.2642","","","","","","1.046","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201880","11.648","0.002","13.351","0.002","14.481","0.002","81.68","0.01","89.47","0.01","69.17","0.01","2080.5","0.6","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 Cl3 D N8 O8 -","- C47 H32 Cl3 D N8 O8 -","- C94 H64 Cl6 D2 N16 O16 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","","0.71073","MoKα","","","0.052","","","","0.073","","","","","","1.75","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201881","7.883","0.002","9.292","0.004","25.355","0.008","90","","90","","90","","1857.2","1.1","294","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 N4 O4 -","- C23 H16 N4 O4 -","- C92 H64 N16 O16 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.64","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201882","16.642","0.006","19.026","0.008","13.49","0.003","90","","90","","90","","4271","3","294","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C212 H148 N32 O32 -","8","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.069","","","","0.072","","","","","","1.74","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201883","11.192","0.006","17.811","0.006","11.205","0.006","90","","95.81","0.03","90","","2222.1","1.8","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C106 H74 N16 O16 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","","0.71073","MoKα","","","0.062","","","","0.064","","","","","","1.58","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201884","14.2094","0.0004","19.3521","0.0005","20.5649","0.0009","90","","109.282","0.004","90","","5337.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H76 Cl4 N8 O22 -","- C39 H72 Cl4 N8 O22 -","- C156 H288 Cl16 N32 O88 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1405","0.0621","","","0.1579","0.2101","","","","","","0.995","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201885","16.553","0.002","15.1396","0.0018","17.253","0.003","90","","90","","90","","4323.7","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H62 Cl2 N8 O11 -","- C36 H62 Cl2 N8 O11 -","- C144 H248 Cl8 N32 O44 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1135","0.0589","","","0.1442","0.1736","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201886","12.3702","0.0018","14.102","0.003","13.0089","0.0014","90","","108.853","0.009","90","","2147.6","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Sureshan, Kana M.; Uchimaru, Tadafumi; Yao, Yonghui; Watanabe, Yutaka","Strength from weakness: CH⋯π stabilized conformational tuning of benzyl ethers and a consequent co-operative edge-to-face CH⋯π network","CrystEngComm","2008","10","5","493","","10.1039/b718099c","","","1.54178","CuKα","","0.0606","0.0458","","","0.1183","0.128","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201887","12.0793","0.0004","29.4107","0.0009","23.5417","0.0008","90","","97.9242","0.0009","90","","8283.6","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H104 N4 O12 -","- C96 H104 N4 O12 -","- C384 H416 N16 O48 -","4","1","","Kato, Shin-ichiro; Nakagaki, Takeshi; Shimasaki, Toshiaki; Shinmyozu, Teruo","Molecular tubes and capsules : Part III. The first X-ray crystallographic evidence of a cyclic aniline trimer via self-complementary N‒H⋯π interactions: the aniline inclusion both inside and outside the macrocyclic cavity","CrystEngComm","2008","10","5","483","","10.1039/b718306b","","","0.71069","MoKα","","0.1187","0.0655","","","0.1655","0.1888","","","","","","1.032","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201888","10.817","0.002","14.977","0.003","15.724","0.002","100.72","0.006","91.127","0.008","102.965","0.008","2434.1","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H120 N11 O12 -","- C110 H120 N11 O12 -","- C110 H120 N11 O12 -","1","0.5","","Kato, Shin-ichiro; Nakagaki, Takeshi; Shimasaki, Toshiaki; Shinmyozu, Teruo","Molecular tubes and capsules : Part III. The first X-ray crystallographic evidence of a cyclic aniline trimer via self-complementary N‒H⋯π interactions: the aniline inclusion both inside and outside the macrocyclic cavity","CrystEngComm","2008","10","5","483","","10.1039/b718306b","","","0.71075","MoKα","","0.0673","0.0521","","","0.1342","0.1437","","","","","","1.054","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201889","12.119","0.002","13.598","0.003","22.21","0.004","80.328","0.003","85.395","0.003","67.725","0.003","3338.2","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Gd2 N12 O92 P2 W24 -","- C60 H108 Gd2 N12 O92 P2 W24 -","- C60 H108 Gd2 N12 O92 P2 W24 -","1","0.5","","Zhang, Li-Zhi; Gu, Wen; Liu, Xin; Dong, Zhili; Li, Bing","Solid-state photopolymerization of a photochromic hybrid based on Keggin tungstophosphates","CrystEngComm","2008","10","6","652","","10.1039/b718523e","","","0.71073","MoKα","","0.1149","0.0536","","","0.092","0.1135","","","","","","1.054","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201890","22.058","0.007","12.811","0.007","24.39","0.009","90","","107.46","0.006","90","","6575","5","294","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Gd N6 O46 P W12 -","- C30 H54 Gd N6 O46 P W12 -","- C120 H216 Gd4 N24 O184 P4 W48 -","4","0.5","","Zhang, Li-Zhi; Gu, Wen; Liu, Xin; Dong, Zhili; Li, Bing","Solid-state photopolymerization of a photochromic hybrid based on Keggin tungstophosphates","CrystEngComm","2008","10","6","652","","10.1039/b718523e","","","0.71073","MoKα","","0.0599","0.0523","","","0.1212","0.1245","","","","","","1.142","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201891","6.0417","0.001","23.07","0.004","24.165","0.004","90","","90","","90","","3368.2","1","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C17 H9 Cd0.5 N2 O3.5 S0.5 -","- C16.98 H9 Cd0.5 N2.02 O3.5 S0.5 -","- C135.84 H72 Cd4 N16.16 O28 S4 -","8","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.057","0.051","","","0.1315","0.136","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201892","16.478","0.005","22.004","0.007","16.494","0.006","90","","114.412","0.003","90","","5446","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H36 Cd2 N4 O12 S2 -","- C52 H36 Cd2 N4 O12 S2 -","- C208 H144 Cd8 N16 O48 S8 -","4","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.1258","0.0843","","","0.171","0.1905","","","","","","1.147","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201893","12.354","0.003","15.312","0.003","12.315","0.003","90","","110.33","0.003","90","","2184.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C96 H64 Cd4 N8 O24 S4 -","4","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.0276","0.0224","","","0.0534","0.0562","","","","","","1.025","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201894","10.94","0.002","13.527","0.003","13.633","0.003","106.173","0.001","106.438","0.002","102.124","0.002","1764.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cd1.5 N2 O12 S2 -","- C38 H25 Cd1.5 N2 O12 S2 -","- C76 H50 Cd3 N4 O24 S4 -","2","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.0335","0.0304","","","0.0805","0.083","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201895","12.887","0.004","12.971","0.004","23.254","0.009","74.358","0.015","75.948","0.014","60.853","0.012","3240.3","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H46 Cd4 N2 O24 S4 -","- C69 H46 Cd4 N2 O24 S4 -","- C138 H92 Cd8 N4 O48 S8 -","2","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.1653","0.0928","","","0.274","0.3124","","","","","","1.066","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201896","17.076","0.01","16.577","0.009","11.809","0.007","90","","90","","90","","3343","3","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H17 Cd N3 O4 -","- C16 H17 Cd N3 O4 -","- C128 H136 Cd8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0696","0.045","","","0.0983","0.108","","","","","","1.055","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201897","16.831","0.004","10.984","0.002","19.584","0.004","90","","114.956","0.003","90","","3282.5","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Co2 N6 O8 -","- C32 H32 Co2 N6 O8 -","- C128 H128 Co8 N24 O32 -","4","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.172","0.0782","","","0.1608","0.1944","","","","","","1.03","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201898","11.664","0.003","15.697","0.005","17.263","0.005","90","","90","","90","","3160.7","1.6","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C16 H17 Cu N3 O4 -","- C16 H17 Cu N3 O4 -","- C128 H136 Cu8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0487","0.0449","","","0.107","0.1084","","","","","","1.24","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201899","16.316","0.006","8.094","0.003","23.421","0.008","90","","90","","90","","3093","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 N3 Ni O4 -","- C16 H17 N3 Ni O4 -","- C128 H136 N24 Ni8 O32 -","8","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0588","0.0392","","","0.0829","0.0896","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201900","10.2844","0.0011","17.7865","0.0018","9.3905","0.001","90","","94.38","0.002","90","","1712.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 B2 Cu F8 N6 O4 -","- C34 H22 B2 Cu F8 N6 O4 -","- C68 H44 B4 Cu2 F16 N12 O8 -","2","0.5","","Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.","Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups","CrystEngComm","2008","10","5","475","","10.1039/b718823d","","","0.71073","MoKα","","0.1176","0.056","","","0.1208","0.1498","","","","","","1.01","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201901","9.154","0.005","21.374","0.011","18.717","0.01","90","","90.286","0.011","90","","3662","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cu N9 O11 -","- C36 H25 Cu N9 O11 -","- C144 H100 Cu4 N36 O44 -","4","1","","Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.","Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups","CrystEngComm","2008","10","5","475","","10.1039/b718823d","","","0.71073","MoKα","","0.1034","0.0565","","","0.1782","0.2226","","","","","","1.034","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201902","11.7889","0.0007","14.2524","0.0009","16.391","0.001","90","","99.416","0.001","90","","2716.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cu I N4 S2 -","- C9 H8 Cu I N4 S2 -","- C72 H64 Cu8 I8 N32 S16 -","8","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0322","0.028","","","0.0652","0.0669","","","","","","1.065","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201903","8.4287","0.0005","8.8723","0.0006","16.1154","0.0011","90","","92.731","0.001","90","","1203.77","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cu N5 S2 -","- C10 H8 Cu N5 S2 -","- C40 H32 Cu4 N20 S8 -","4","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0286","0.0265","","","0.0687","0.07","","","","","","1.05","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201904","8.805","0.001","9.0434","0.001","12.5826","0.0014","87.137","0.002","85.596","0.002","88.277","0.002","997.37","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cu I N6 S3 -","- C15 H15 Cu I N6 S3 -","- C30 H30 Cu2 I2 N12 S6 -","2","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0482","0.0368","","","0.0936","0.1064","","","","","","1.071","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201905","8.3584","0.0008","9.1892","0.0009","17.7463","0.0017","90","","97.063","0.002","90","","1352.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cu N5 S2 -","- C11 H10 Cu N5 S2 -","- C44 H40 Cu4 N20 S8 -","4","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.04","0.0349","","","0.0815","0.0842","","","","","","1.037","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201906","4.5644","0.0009","8.9738","0.0018","11.778","0.002","78.05","0.03","83.67","0.03","84.67","0.03","467.88","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 I2 N O Pb -","- C5 H4 I2 N O Pb -","- C10 H8 I4 N2 O2 Pb2 -","2","1","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0736","0.0511","","","0.0997","0.1108","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201907","18.866","0.004","8.6033","0.0017","9.6102","0.0019","90","","115.43","0.03","90","","1408.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 I2 N2 O2 Pb -","- C10 H8 I2 N2 O2 Pb -","- C40 H32 I8 N8 O8 Pb4 -","4","0.5","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0345","0.0308","","","0.0641","0.0655","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201908","16.872","0.005","7.2993","0.0017","12.074","0.003","90","","107.85","0.004","90","","1415.4","0.6","293","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 I N2 O2 Pb -","- C12 H13 I N2 O2 Pb -","- C48 H52 I4 N8 O8 Pb4 -","4","1","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0377","0.0331","","","0.0735","0.076","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201909","10.0354","0.0011","13.254","0.002","14.6231","0.0016","90","","90","","90","","1945","0.4","173","2","173","2","","","","","","","","4","P n a b","-P 2bc 2n","60","","","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C64 H144 Cl8 N8 -","8","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0587","0.0406","","","0.0813","0.0876","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201910","6.4857","0.001","12.005","0.003","12.526","0.002","90","","102.746","0.013","90","","951.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl N -","- C8 H16 Cl N -","- C32 H64 Cl4 N4 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0662","0.0406","","","0.0878","0.097","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201911","8.4849","0.0014","8.1271","0.0016","13.501","0.002","90","","100.408","0.013","90","","915.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl N -","- C8 H14 Cl N -","- C32 H56 Cl4 N4 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0308","0.0274","","","0.0699","0.0713","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201912","13.51","0.0001","27.37","0.0002","27.991","0.0003","90","","90","","90","","10350.2","0.15","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H94 Cl4 N4 O29.25 Pd2 Zn4 -","- C65 H86 Cl4 N4 O29.25 Pd2 Zn4 -","- C260 H344 Cl16 N16 O117 Pd8 Zn16 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Wong, Claudia T. F.","Complexes as metalloligands in network formation: synthesis and characterisation of a mixed-metal coordination network containing palladium and zinc","CrystEngComm","2008","10","5","487","","10.1039/b718961c","","","0.71073","MoKα","","0.0769","0.0627","","","0.1716","0.1847","","","","","","1.046","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201913","18.2323","0.0008","10.8209","0.0005","13.097","0.0006","90","","93.552","0.001","90","","2578.9","0.2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O5 Zn -","- C12 H13 N O5 Zn -","- C96 H104 N8 O40 Zn8 -","8","1","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0333","0.0292","","","0.0814","0.0837","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201914","23.2531","0.0011","10.61","0.0005","15.9768","0.0007","90","","111.641","0.001","90","","3663.9","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O14 Zn3 -","- C32 H30 N2 O14 Zn3 -","- C128 H120 N8 O56 Zn12 -","4","0.5","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0413","0.0344","","","0.094","0.0972","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201915","6.9787","0.0003","10.1257","0.0005","10.8955","0.0005","70.436","0.001","74.018","0.001","76.75","0.001","689.41","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O6 Zn -","- C12 H15 N O6 Zn -","- C24 H30 N2 O12 Zn2 -","2","1","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0333","0.0317","","","0.0805","0.0814","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201919","13.175","0.003","10.498","0.002","16.82","0.005","90","","108.91","0.02","90","","2200.8","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 N2 O4 Zn -","- C18 H34 Cl2 N2 O4 Zn -","- C72 H136 Cl8 N8 O16 Zn4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.0651","0.0311","","","0.075","0.0861","","","","","","1.028","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201920","11.865","0.006","6.75","0.004","15.109","0.009","90","","112.87","0.02","90","","1114.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 Cu N2 O4 -","- C18 H34 Cl2 Cu N2 O4 -","- C36 H68 Cl4 Cu2 N4 O8 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.1101","0.0601","","","0.1586","0.1838","","","","","","0.98","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201921","11.0436","0.0005","12.9919","0.0006","16.8564","0.0009","90","","90","","90","","2418.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0451","0.0353","","","0.0779","0.0802","","","","","","1.016","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201922","11.0485","0.0003","12.9858","0.0004","16.8845","0.0005","90","","90","","90","","2422.48","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0383","0.0297","","","0.0579","0.0596","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201923","12.914","0.003","12.914","0.003","29.512","0.008","90","","90","","90","","4922","2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C72 H80 Cd3 Fe4 I6 N24 -","- C72 H80 Cd3 Fe4 I6 N24 -","- C144 H160 Cd6 Fe8 I12 N48 -","2","0.125","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.1359","0.0711","","","0.149","0.1586","","","","","","1.023","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201924","5.81","0.0002","19.6315","0.0005","21.7087","0.0006","85.918","0.002","86.164","0.002","84.482","0.002","2453.85","0.13","293","","293","","","","","","","","","4","P -1","-P 1","2","Cytenamide form II","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","4","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.08","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201925","33.9078","0.001","33.9078","0.001","5.6754","0.0002","90","","90","","120","","5651","0.3","120","","120","2","","","","","","","","4","R -3 :H","-R 3","148","Cytenamide form I","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C288 H234 N18 O18 -","18","1","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","","","0.71073","MoKα","","0.1461","0.071","","0.215","0.1685","0.215","","","","","","0.9575","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201926","16.514","0.0004","11.7929","0.0002","20.8057","0.0004","90","","102.894","0.002","90","","3949.7","0.14","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Cd Cl2 N6 O12 -","- C32 H28 Cd Cl2 N6 O12 -","- C128 H112 Cd4 Cl8 N24 O48 -","4","1","","Jiang, Ji-Jun; Liu, Yong-Ru; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","The interplay of coordinative and hydrogen-bonding in directing the [M(4,4′-bpy)2(H2O)2] square-grid networks: formation of 3D porous framework [Cd(4,4′-bpy)2(H2O)2](ClO4)2(4,4′-bpy)(CH3OH)2","CrystEngComm","2008","10","9","1147","","10.1039/b719970h","","","0.71073","MoKα","","0.0805","0.0608","","","0.162","0.1726","","","","","","1.016","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201927","32.4649","0.0015","16.5884","0.0007","12.2905","0.0006","90","","91.198","0.002","90","","6617.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H34 Co N6 O4 Zn -","- C56 H34 Co N6 O4 Zn -","- C224 H136 Co4 N24 O16 Zn4 -","4","0.5","","Choi, Eun-Young; Barron, Paul M.; Novotney, Richard W.; Hu, Chunhua; Kwon, Young-UK; Choe, Wonyoung","A mixed-linker porphyrin framework with CdI2-type topology","CrystEngComm","2008","10","7","824","","10.1039/b720035h","","","0.71073","MoKα","","0.0773","0.0597","","","0.1434","0.1521","","","","","","1","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201932","10.367","0.002","15.626","0.004","16.826","0.004","90","","100.128","0.004","90","","2683.2","1.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Ag2 B2 F8 N6 O P2 -","- C56 H48 Ag2 B2 F8 N6 O P2 -","- C112 H96 Ag4 B4 F16 N12 O2 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.1098","0.0866","","","0.2341","0.2434","","","","","","1.271","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201933","10.6264","0.0014","16.485","0.002","16.248","0.002","90","","90.546","0.003","90","","2846.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl2 Cu2 N8 O9 P2 -","- C60 H54 Cl2 Cu2 N8 O9 P2 -","- C120 H108 Cl4 Cu4 N16 O18 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.082","0.0534","","","0.1439","0.1659","","","","","","1.037","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201934","11.0034","0.0004","18.8661","0.0007","15.7613","0.0007","90","","102.728","0.004","90","","3191.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl Cu N4 O5 P -","- C31 H32 Cl Cu N4 O5 P -","- C124 H128 Cl4 Cu4 N16 O20 P4 -","4","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0893","0.0487","","","0.1093","0.1298","","","","","","1.019","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201935","10.0967","0.001","15.5266","0.0016","16.6702","0.0017","90","","93.3","0.002","90","","2609","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Ag2 N8 O6 P2 -","- C60 H48 Ag2 N8 O6 P2 -","- C120 H96 Ag4 N16 O12 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0563","0.0345","","","0.0754","0.0837","","","","","","1.026","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201936","14.2741","0.0002","16.3621","0.0002","19.4747","0.0002","90","","94.458","0.001","90","","4534.64","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 B Cu F4 N4 O P2 -","- C50 H48 B Cu F4 N4 O P2 -","- C200 H192 B4 Cu4 F16 N16 O4 P8 -","4","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","1.5418","CuKα","","0.1092","0.0678","","","0.1917","0.2573","","","","","","1.086","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201937","9.6449","0.0013","12.4087","0.0017","14.0021","0.0019","103.029","0.002","98.029","0.002","91.023","0.002","1614.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H31 Ag F3 N4 O4 P S -","- C32 H31 Ag F3 N4 O4 P S -","- C64 H62 Ag2 F6 N8 O8 P2 S2 -","2","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0682","0.041","","","0.0908","0.1029","","","","","","1.032","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201938","10.7773","0.0003","18.935","0.0005","16.3066","0.0004","90","","91.061","0.001","90","","3327.09","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H42 Au2 Cl2 O6 P2 -","- C102 H42 Au2 Cl2 O6 P2 -","- C204 H84 Au4 Cl4 O12 P4 -","2","0.5","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0367","0.0299","","","0.0715","0.0741","","","","","","1.052","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201939","10.8831","0.0003","19.0041","0.0006","16.5771","0.0005","90","","90.243","0.001","90","","3428.5","0.18","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H42 Au2 Cl2 O6 P2 -","- C102 H42 Au2 Cl2 O6 P2 -","- C204 H84 Au4 Cl4 O12 P4 -","2","0.5","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0587","0.0437","","","0.1078","0.1248","","","","","","1.072","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201940","12.3426","0.0002","12.3426","0.0002","73.352","0.002","90","","90","","120","","9677.3","0.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H42 Au2 Cl2 P2 -","- C102 H42 Au2 Cl2 P2 -","- C612 H252 Au12 Cl12 P12 -","6","0.166667","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0297","0.0205","","","0.056","0.0623","","","","","","1.084","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201941","9.7103","0.0011","10.0679","0.0011","24.245","0.003","90","","90.852","0.002","90","","2370","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Co N2 O5 -","- C27 H22 Co N2 O5 -","- C108 H88 Co4 N8 O20 -","4","1","","Hu, Yawei; Li, Guanghua; Liu, Xiaomin; Hu, Bin; Bi, Minghui; Gao, Lu; Shi, Zhan; Feng, Shouhua","Hydrothermal synthesis and characterization of metal‒organic networks with helical units in a mixed ligand system","CrystEngComm","2008","10","7","888","","10.1039/b800255j","","","0.71073","MoKα","","0.0973","0.0521","","","0.1192","0.1432","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201942","13.979","0.003","19.7","0.005","36.094","0.009","90","","90","","90","","9940","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H24 Co N2 O6 -","- C27 H22 Co N2 O6 -","- C432 H352 Co16 N32 O96 -","16","0.5","","Hu, Yawei; Li, Guanghua; Liu, Xiaomin; Hu, Bin; Bi, Minghui; Gao, Lu; Shi, Zhan; Feng, Shouhua","Hydrothermal synthesis and characterization of metal‒organic networks with helical units in a mixed ligand system","CrystEngComm","2008","10","7","888","","10.1039/b800255j","","","0.71073","MoKα","","0.1499","0.0992","","","0.2565","0.3002","","","","","","1.035","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201943","14.6809","0.0016","7.4146","0.0009","24.35","0.003","90","","90","","90","","2650.6","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0621","0.0403","","","0.1051","0.116","","","","","","1.074","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201944","10.508","0.002","19.587","0.003","11.039","0.002","90","","107.97","0.01","90","","2161.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 Cl2 N5 O4 -","- C23 H13 Cl2 N5 O4 -","- C92 H52 Cl8 N20 O16 -","4","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0756","0.0456","","","0.1087","0.129","","","","","","1.09","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201945","6.7056","0.0003","18.3989","0.001","27.453","0.0017","90","","92.523","0.004","90","","3383.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 N4 O24 U2 -","- C18 H30 N4 O24 U2 -","- C72 H120 N16 O96 U8 -","4","1","","Thuéry, Pierre","The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl‒organic framework","CrystEngComm","2008","10","7","808","","10.1039/b800392k","","","0.71073","MoKα","","0.0498","0.033","","","0.0735","0.0779","","","","","","1.025","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201946","7.8528","0.0016","11.78","0.002","17.456","0.004","93.85","0.03","94.7","0.03","91.87","0.03","1604.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Dy N3 O10 S6 -","- C24 H29 Dy N3 O10 S6 -","- C48 H58 Dy2 N6 O20 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0307","0.0266","","","0.0699","0.0707","","","","","","1.221","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201947","7.8341","0.0003","11.8843","0.0005","17.5342","0.0008","94.087","0.001","94.699","0.001","91.995","0.001","1621.5","0.12","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Eu N3 O10 S6 -","- C24 H29 Eu N3 O10 S6 -","- C48 H58 Eu2 N6 O20 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0779","0.0499","","","0.0878","0.1085","","","","","","1.015","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201948","7.74","0.0015","12.154","0.002","17.433","0.004","73.85","0.03","88.22","0.03","88.55","0.03","1574.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 N3 Nd O9 S6 -","- C24 H21 N3 Nd O9 S6 -","- C48 H42 N6 Nd2 O18 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0752","0.0541","","","0.1142","0.1264","","","","","","0.988","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201949","37.034","0.007","11.725","0.002","23.127","0.005","90","","108.75","0.03","90","","9509","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Co2 N16 S4 -","- C44 H44 Co2 N16 S4 -","- C352 H352 Co16 N128 S32 -","8","1","","Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min","Unprecedented trinodal 4-connected metal‒organic frameworks (MOFs) with 2-fold interpenetration","CrystEngComm","2008","10","8","1027","","10.1039/b800709h","","","0.71073","MoKα","","0.0939","0.047","","","0.1003","0.1175","","","","","","1.008","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201950","7.7631","0.0016","12.907","0.003","15.69","0.003","100.4","0.03","103.54","0.03","98.97","0.03","1470.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N6 O4 S2 -","- C32 H25 N6 O4 S2 -","- C64 H50 N12 O8 S4 -","2","1","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.037","0.036","","","0.088","0.088","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201951","12.115","0.009","5.258","0.004","18.704","0.015","90","","92.55","0.02","90","","1190.3","1.6","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H20 N4 O4 S2 -","- C26 H20 N4 O4 S2 -","- C52 H40 N8 O8 S4 -","2","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.7107","MoKα","","0.098","0.088","","","0.169","0.174","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201952","27.672","0.006","5.0086","0.001","19.107","0.004","90","","90","","90","","2648.2","1","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H22 Cl2 N4 O4 S2 -","- C27 H22 Cl2 N4 O4 S2 -","- C108 H88 Cl8 N16 O16 S8 -","4","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.077","0.072","","","0.187","0.191","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201953","8.927","0.0007","14.0754","0.0011","15.1592","0.0012","90","","98.899","0.003","90","","1881.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0707","0.0435","","","0.1106","0.1275","","","","","","1.013","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201954","8.5804","0.0002","16.1162","0.0004","15.2193","0.0004","90","","90.428","0.001","90","","2104.52","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O6 Zn -","- C20 H20 N4 O6 Zn -","- C80 H80 N16 O24 Zn4 -","4","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0535","0.0353","","","0.0818","0.09","","","","","","1.024","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201955","19.591","0.001","13.486","0.0007","19.155","0.001","90","","120.24","0.002","90","","4372.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C152 H160 N32 O32 Zn8 -","8","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0906","0.0501","","","0.1329","0.1546","","","","","","1.019","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201957","10.1491","0.0003","11.4654","0.0003","15.1523","0.0004","71.8196","0.0016","82.5003","0.0013","82.8793","0.0017","1654.33","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Cu F6 N4 O2 P -","- C38 H28 Cu F6 N4 O2 P -","- C76 H56 Cu2 F12 N8 O4 P2 -","2","1","","Constable, Edwin C.; Chaurin, Valérie; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","The aryl‒phen and phen‒phen embraces—new supramolecular motifs","CrystEngComm","2008","10","8","1063","","10.1039/b801019f","","","0.71073","MoKα","","0.0576","0.038","","0.0615","0.0447","0.0447","","","","","","1.1026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201958","8.8291","0.0016","13.493","0.002","5.252","0.001","90","","106.338","0.002","90","","600.41","0.18","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Ag N2 O2 -","- C5 H5 Ag N2 O2 -","- C20 H20 Ag4 N8 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0283","0.0239","","","0.0592","0.0616","","","","","","1.097","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201959","6.345","0.0015","8.1285","0.0019","8.659","0.002","75.091","0.004","83.106","0.004","88.947","0.004","428.4","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Ag N4 O4 -","- C18 H15 Ag N4 O4 -","- C18 H15 Ag N4 O4 -","1","0.5","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0343","0.0291","","","0.066","0.0684","","","","","","1.098","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201960","7.4412","0.0016","6.3884","0.0013","12.68","0.003","90","","90","","90","","602.8","0.2","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4 Ag N3 O2 -","- C4 H4 Ag N3 O2 -","- C16 H16 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0207","0.018","","","0.0379","0.0389","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201961","13.977","0.003","4.4046","0.0008","14.76","0.003","90","","110.365","0.003","90","","851.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Ag N3 O2 -","- C8 H6 Ag N3 O2 -","- C32 H24 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0362","0.0289","","","0.0732","0.0784","","","","","","1.053","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201962","22.113","0.003","6.9149","0.0012","7.7209","0.0014","90","","90","","90","","1180.6","0.3","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O5.5 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.7107","MoKα","","0.0737","0.07","","","0.1689","0.1716","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201963","21.956","0.004","6.8823","0.0014","7.741","0.0015","90","","90","","90","","1169.7","0.4","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H9 Co N2 O4 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.71073","MoKα","","0.1157","0.113","","","0.2504","0.2517","","","","","","1.093","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201964","15.0535","0.0016","21.8564","0.0019","3.6939","0.0004","90","","90","","90","","1215.3","0.2","293","2","293","2","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C40 H32 Ag4 Cl2 N10 O6 -","- C40 H32 Ag4 Cl2 N10 O6 -","- C40 H32 Ag4 Cl2 N10 O6 -","1","0.125","","Zhang, Lei; Li, Zhao-Ji; Qin, Ye-Yan; Zhang, Jian; Cheng, Jian-Kai; Yin, Pei-Xiu; Yao, Yuan-Gen","Homochiral moganite-type metal‒organic framework based on unusual (Ag2Cl)n skeletons","CrystEngComm","2008","10","6","655","","10.1039/b801310a","","","0.71073","MoKα","","0.0515","0.0451","","","0.131","0.1374","","","","","","1.012","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201965","22.482","0.005","9.5886","0.0019","18.532","0.004","90","","104.14","0.03","90","","3873.9","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 O14 Zn3 -","- C36 H30 N4 O14 Zn3 -","- C144 H120 N16 O56 Zn12 -","4","0.5","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","A zinc(ii) coordination polymer constructed from mixed-ligand 1,2-bis(2-(1H-imidazol-1-yl)ethoxy)ethane and 1,4-benzenedicarboxylic acid","CrystEngComm","2008","10","9","1137","","10.1039/b801387j","","x-ray","0.71073","MoKα","","0.0362","0.0284","","","0.0668","0.0702","","","","","","1.043","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201967","20.6133","0.0003","18.2159","0.0003","38.3918","0.0005","90","","97.174","0.001","90","","14302.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C4S20","","","- C68 H84 N4 O32 S4 -","- C68 H60 N4 O32.013 S4 -","- C544 H480 N32 O256.104 S32 -","8","1","","Shkurenko, Oleksandr; Suwinska, Kinga; Coleman, Anthony W.","Breaking down the para-sulfonato-calix[4]arene bilayer motif into tapes and fences: the solid-state structure of the complex with 6-methoxyquinoline","CrystEngComm","2008","10","7","821","","10.1039/b801435c","","","0.71073","MoKα","","0.0882","0.0787","","","0.1788","0.1843","","","","","","1.068","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201968","12.2555","0.0006","10.4744","0.0005","7.2559","0.0004","90","","83.019","0.005","90","","924.53","0.08","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(acetonitrile)-mu-fluoro-mu-tetrafluoroboratechromium(ii)","Bis(acetonitrile)-mu-fluoro-mu-tetrafluoroboratechromium(II)","","- C4 H6 B Cr F5 N2 -","- C4 H6 B Cr F5 N2 -","- C16 H24 B4 Cr4 F20 N8 -","4","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Zhu, Qiuying; Nelson, Kendric J.; Miller, Joel S.","Structure of CrIIF(NCMe)2BF4. Rietveld refinement of a component of a physical mixture of unknown composition","CrystEngComm","2008","10","12","1728","","10.1039/b801509k","powder diffraction","","0.700486","synchrotron","","","","","","","","","0.01","1.141","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201969","16.161","0.0012","16.161","0.0012","16.59","0.002","90","","90","","120","","3752.4","0.6","198","2","198","2","","","","","","","","5","R -3 :H","-R 3","148","Zinc(ii) stilbenedicarboxyl dimethylamide","","","- C54 H44 N2 O14 Zn3 -","- C53.94 H43.86 N1.98 O14 Zn3 -","- C161.82 H131.58 N5.94 O42 Zn9 -","3","0.166667","","Kim, Hyunuk; Park, Gyungse; Kim, Kimoon","Two-dimensional metal‒organic network with an unusual 36 topology and a cubic close packing pattern","CrystEngComm","2008","10","8","954","","10.1039/b801536h","","","0.71073","MoKα","","0.0591","0.0522","","","0.1507","0.1557","","","","","","1.05","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201970","8.57203","0.00067","9.30117","0.00049","5.60429","0.00045","90","","90","","90","","446.83","0.06","298","","298","","76000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.562","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201971","8.4877","0.00068","9.09431","0.00054","5.57539","0.00047","90","","90","","90","","430.36","0.06","298","","298","","940000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.603","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201972","8.44354","0.00073","8.96414","0.00056","5.55463","0.0005","90","","90","","90","","420.42","0.06","298","","298","","1613000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201973","8.39175","0.00069","8.80598","0.00051","5.52187","0.0005","90","","90","","90","","408.05","0.06","298","","298","","2625000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201974","8.35471","0.00071","8.70622","0.00053","5.49678","0.00053","90","","90","","90","","399.82","0.06","298","","298","","3458000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.287","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201975","8.32162","0.0006","8.62427","0.00043","5.47386","0.00041","90","","90","","90","","392.85","0.05","298","","298","","4270000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.424","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201976","8.30986","0.00053","8.59508","0.00039","5.46585","0.00036","90","","90","","90","","390.39","0.04","298","","298","","4514000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.34","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201977","6.87","0.00033","9.63731","0.00056","5.60664","0.0003","90","","90","","90","","371.21","0.03","298","","298","","5199000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.658","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201978","6.81067","0.00043","9.62266","0.00069","5.59344","0.00031","90","","90","","90","","366.58","0.04","298","","298","","5700000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.606","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201979","6.76267","0.00042","9.60731","0.0007","5.58248","0.00037","90","","90","","90","","362.7","0.04","298","","298","","6280000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.36","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201980","6.68687","0.00032","9.58023","0.00058","5.56241","0.00031","90","","90","","90","","356.34","0.03","298","","298","","7243000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.563","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201981","6.54874","0.00033","9.53864","0.00054","5.60779","0.00032","90","","90","","90","","350.3","0.03","298","","298","","8162000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.313","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201982","14.728","0.002","6.997","0.0011","16.148","0.003","90","","117.074","0.002","90","","1481.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cafsaa","caffeine salicylic acid cocrystal","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0679","0.0458","","","0.1107","0.1268","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201983","17.206","0.004","4.9926","0.0011","18.27","0.004","90","","117.44","0.003","90","","1392.9","0.5","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cbzmaa","","","- C33 H27 N4 O6 -","- C33 H27 N4 O6 -","- C66 H54 N8 O12 -","2","0.5","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0656","0.0457","","","0.1042","0.1112","","","","","","1.051","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201984","17.536","0.002","5.1229","0.0007","18.308","0.002","90","","118.505","0.002","90","","1445.3","0.3","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cbzsua","","","- C17 H15 N2 O3 -","- C17 H15 N2 O3 -","- C68 H60 N8 O12 -","4","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.047","0.0342","","","0.0821","0.088","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201985","10.5106","0.0013","16.035","0.002","25.247","0.003","90","","90","","90","","4255.1","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","sfzsac","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0655","0.0449","","","0.1076","0.1159","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201986","8.7638","0.0011","8.7638","0.0011","11.548","0.0014","71.823","0.002","75.951","0.002","64.113","0.002","752.2","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tplsac","","","- C14 H13 N5 O5 S -","- C14 H13 N5 O5 S -","- C28 H26 N10 O10 S2 -","2","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.051","0.0419","","","0.1135","0.1187","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201987","11.5976","0.0002","20.8919","0.0002","12.3538","0.0001","90","","107.613","0.001","90","","2852.96","0.06","173","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ca Cu2 O25 S2 -","- C16 H28 Ca Cu2 O25 S2 -","- C64 H112 Ca4 Cu8 O100 S8 -","4","1","","Cao, Rong; Lü, Jian; Batten, Stuart R.","Copper 5-sulfoisophthalato quasi-planar squares in coordination polymers modulated by alkaline-earth metals: a way to molecular squares?","CrystEngComm","2008","10","6","784","","10.1039/b801887a","","","0.71073","MoKα","","0.0551","0.042","","","0.0947","0.1013","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201988","7.1599","0.0001","19.4285","0.0002","21.3245","0.0003","90","","98.42","","90","","2934.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cu2 O25 S2 Sr -","- C16 H6 Cu2 O25 S1.956 Sr -","- C64 H24 Cu8 O100 S7.824 Sr4 -","4","1","","Cao, Rong; Lü, Jian; Batten, Stuart R.","Copper 5-sulfoisophthalato quasi-planar squares in coordination polymers modulated by alkaline-earth metals: a way to molecular squares?","CrystEngComm","2008","10","6","784","","10.1039/b801887a","","","0.71073","MoKα","","0.1202","0.0849","","","0.179","0.2012","","","","","","1.073","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201989","26.6964","0.0005","8.989","0.0002","15.7756","0.0003","90","","105.338","0.001","90","","3650.89","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H54 N2 -","- C45 H54 N2 -","- C180 H216 N8 -","4","0.5","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.0706","0.0498","","","0.1388","0.1557","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201990","23.6556","0.0003","13.9795","0.0002","24.5246","0.0003","90","","94.197","0.001","90","","8088.38","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 Br2 N2 -","- C45 H51 Br2 N2 -","- C360 H408 Br16 N16 -","8","1","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.0957","0.0496","","","0.1221","0.1425","","","","","","1.028","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201991","20.3845","0.0008","9.8302","0.0004","11.5556","0.0005","90","","98.977","0.001","90","","2287.19","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br2 N2 -","- C29 H20 Br2 N2 -","- C116 H80 Br8 N8 -","4","1","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.1035","0.0494","","","0.1027","0.1198","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201992","6.9628","0.0003","11.001","0.0003","11.5319","0.0005","79.856","0.001","73.862","0.002","76.865","0.002","820.26","0.06","153","2","153","2","","","","","","","","5","P -1","-P 1","2","7","","","- C14 H13 La N2 O12 -","- C14 H13 La N2 O12 -","- C28 H26 La2 N4 O24 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0241","0.0228","","","0.0606","0.0612","","","","","","1.059","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201993","7.2471","0.0005","9.9563","0.0006","11.0922","0.0007","71.432","0.001","75.006","0.001","78.665","0.001","727.14","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","8","","","- C14 H9 La N2 O10 -","- C14 H9 La N2 O10 -","- C28 H18 La2 N4 O20 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0331","0.031","","","0.0718","0.0728","","","","","","1.166","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201994","21.9566","0.001","6.6188","0.0003","11.3669","0.0005","90","","90","","90","","1651.91","0.13","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9","","","- C14 H10 Eu N2 O12.5 -","- C14 H5 Eu N2 O12 -","- C56 H20 Eu4 N8 O48 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0624","0.0619","","","0.1542","0.1544","","","","","","1.423","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201995","8.2797","0.0004","16.7532","0.0009","12.7089","0.0006","90","","97.578","0.001","90","","1747.47","0.15","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11","","","- C16 H14 Eu N3 O9 -","- C16 H14 Eu N3 O9 -","- C64 H56 Eu4 N12 O36 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0172","0.0164","","","0.04","0.0404","","","","","","1.103","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201996","21.9198","0.001","6.604","0.0003","11.3592","0.0005","90","","90","","90","","1644.34","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","10","","","- C14 H11 Gd N2 O13 -","- C14 H4 Gd N2 O13 -","- C56 H16 Gd4 N8 O52 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0651","0.065","","","0.1657","0.1657","","","","","","1.367","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201999","7.9913","0.0011","8.256","0.0012","11.3311","0.0016","85.809","0.002","79.323","0.002","76.193","0.002","713.09","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cd Cl2 N6 O12 -","- C22 H26 Cd Cl2 N6 O12 -","- C22 H26 Cd Cl2 N6 O12 -","1","0.5","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.028","0.0254","","","0.0623","0.064","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202000","8.0588","0.0011","14.1614","0.0019","14.2226","0.0018","103.129","0.003","93.499","0.002","104.069","0.003","1521.6","0.4","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Mn N6 O13 -","- C22 H28 Cl2 Mn N6 O13 -","- C44 H56 Cl4 Mn2 N12 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.106","0.0617","","","0.1469","0.1648","","","","","","1.049","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202001","7.9676","0.001","13.98","0.0014","14.1474","0.0016","102.63","0.002","94.638","0.001","103.165","0.002","1483.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Co N6 O13 -","- C22 H28 Cl2 Co N6 O13 -","- C44 H56 Cl4 Co2 N12 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1447","0.063","","","0.1219","0.1367","","","","","","0.893","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202002","7.9455","0.0006","13.9534","0.0011","14.0967","0.0011","102.465","0.002","94.739","0.002","102.729","0.002","1474.5","0.2","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 N6 Ni O13 -","- C22 H28 Cl2 N6 Ni O13 -","- C44 H56 Cl4 N12 Ni2 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1176","0.0608","","","0.1545","0.1799","","","","","","1.078","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202003","7.9922","0.0008","14.0221","0.0013","14.1085","0.0014","102.51","0.001","94.572","0.001","103.034","0.001","1490","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 N6 O13 Zn -","- C22 H28 Cl2 N6 O13 Zn -","- C44 H56 Cl4 N12 O26 Zn2 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.0674","0.0577","","","0.169","0.1794","","","","","","0.997","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202004","9.778","0.004","12.825","0.006","10.618","0.005","90","","95.422","0.007","90","","1325.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cu N8 O10 -","- C22 H26 Cu N8 O10 -","- C44 H52 Cu2 N16 O20 -","2","0.5","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1034","0.0575","","","0.1356","0.15","","","","","","0.992","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202005","23.348","0.002","7.2939","0.0007","22.706","0.002","90","","98.543","0.001","90","","3823.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H23 Cu N3 O11 S -","- C11 H23 Cu N3 O11 S -","- C88 H184 Cu8 N24 O88 S8 -","8","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.0372","0.0315","","","0.083","0.0863","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202006","11.2168","0.001","11.2168","0.001","19.176","0.004","90","","90","","120","","2089.4","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C14 H15 In3 N4 O20 -","- C14 H9 In3 N4 O20 -","- C42 H27 In9 N12 O60 -","3","0.5","","Han, Zheng-Bo; He, Yong-Ke; Tong, Ming-Liang; Song, Yong-Juan; Song, Xi-Ming; Yang, Li-Guo","Spontaneously resolved 3D homochiral In(III) coordination polymer with extended In-OH-In helical chains","CrystEngComm","2008","10","8","1070","","10.1039/b802226g","","","0.71073","MoKα","","0.0369","0.0352","","","0.0957","0.097","","","","","","1.131","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202007","5.422","0.0003","6.2926","0.0004","14.5732","0.001","90","","98.472","0.004","90","","491.79","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H6 N2 O8 U -","- C6 H6 N2 O8 U -","- C12 H12 N4 O16 U2 -","2","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0154","0.0151","","","0.0378","0.038","","","","","","1.065","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202008","9.2125","0.0006","11.6265","0.0005","9.8446","0.0007","90","","102.397","0.003","90","","1029.86","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H4 N2 O7 U -","- C6 H4 N2 O7 U -","- C24 H16 N8 O28 U4 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0194","0.0185","","","0.0439","0.0442","","","","","","1.058","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202009","7.8884","0.0005","30.599","0.002","8.254","0.0004","90","","90.07","0.004","90","","1992.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cs N4 O14 U2 -","- C12 H7 Cs N4 O14 U2 -","- C48 H28 Cs4 N16 O56 U8 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0357","0.0257","","","0.0533","0.0552","","","","","","1.029","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202010","14.2991","0.001","19.2999","0.0015","18.795","0.00119","90","","91.0374","0.0035","90","","5186","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H104 Cu2 I10 O27 S16 Y6 -","- C32 H104 Cu2 I10 O27 S16 Y6 -","- C64 H208 Cu4 I20 O54 S32 Y12 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.","Rare example of a polynuclear heterometallic yttrium(III)‒copper(I) iodide cluster with a [Y6(μ6-O)(μ3-OH)8]8+ core structure showing single crystal-to-single crystal transformation","CrystEngComm","2008","10","7","814","","10.1039/b802434k","","","0.71069","MoKα","","0.1456","0.0885","","0.1139","0.0901","0.0864","","","","","","1.2006","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202011","23.9338","0.0004","18.2415","0.0004","23.8604","0.0004","90","","110.442","0.0011","90","","9761.2","0.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H100 Cu2 I12 O27 S14 Y6 -","- C28 H100 Cu2 I12 O27 S14 Y6 -","- C112 H400 Cu8 I48 O108 S56 Y24 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.","Rare example of a polynuclear heterometallic yttrium(III)‒copper(I) iodide cluster with a [Y6(μ6-O)(μ3-OH)8]8+ core structure showing single crystal-to-single crystal transformation","CrystEngComm","2008","10","7","814","","10.1039/b802434k","","","0.71069","MoKα","","0.1043","0.056","","0.1005","0.0663","0.061","","","","","","1.0864","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202012","28.553","0.002","8.2201","0.0006","16.7163","0.0013","90","","100.746","0.003","90","","3854.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H71 B4 Br3 Cu F16 N12 -","- C84 H70 B4 Br2.916 Cu F16 N12 -","- C168 H140 B8 Br5.832 Cu2 F32 N24 -","2","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0805","0.059","","","0.1068","0.1137","","","","","","1.145","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202013","8.8546","0.0005","11.6779","0.0007","12.066","0.0007","63.335","0.003","76.612","0.003","78.007","0.003","1076.9","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 Cu N4 O3 -","- C21 H18 Br2 Cu N4 O3 -","- C42 H36 Br4 Cu2 N8 O6 -","2","1","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0581","0.0425","","","0.0975","0.1056","","","","","","1.018","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202014","11.867","0.004","13.477","0.005","14.98","0.005","106.773","0.008","104.342","0.008","100.37","0.008","2139.1","1.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br3 Cu N3 -","- C21 H18 Br3 Cu N3 -","- C84 H72 Br12 Cu4 N12 -","4","2","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.1098","0.081","","","0.2231","0.2489","","","","","","1.054","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202015","31.917","0.002","8.5868","0.0005","15.9626","0.001","90","","107.844","0.002","90","","4164.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 N24 -","- C42 H36 Cu2 N24 -","- C168 H144 Cu8 N96 -","4","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0611","0.0381","","","0.0782","0.0885","","","","","","1.034","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202016","9.2344","0.0007","11.524","0.0009","12.4542","0.0009","65.526","0.003","88.615","0.003","80.281","0.003","1187.4","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Cu2 N10 O3 S4 -","- C49 H42 Cu2 N10 O3 S4 -","- C49 H42 Cu2 N10 O3 S4 -","1","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.072","0.0455","","","0.1056","0.121","","","","","","1.03","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202017","13.1236","0.0006","22.2503","0.0011","13.7765","0.001","90","","101.917","0.002","90","","3936.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Br4 Cu N6 O -","- C42 H36 Br4 Cu N6 O -","- C168 H144 Br16 Cu4 N24 O4 -","4","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0776","0.0553","","","0.1384","0.1513","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202018","10.3685","0.0007","18.5863","0.0011","18.5508","0.0011","90","","104.445","0.003","90","","3461.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B N3 -","- C45 H38 B N3 -","- C180 H152 B4 N12 -","4","1","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0794","0.0466","","","0.1128","0.1334","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202019","12.103","0.0011","14.4837","0.0013","17.5418","0.0016","97.174","0.002","103.171","0.002","108.388","0.002","2776.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H61 Cl3 N12 -","- C55 H61 Cl3 N12 -","- C110 H122 Cl6 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.71073","MoKα","","0.106","0.0611","","","0.1564","0.1902","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202020","18.264","0.005","20.537","0.005","24.233","0.006","90","","90","","90","","9090","4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 N6 -","- C25 H26 N6 -","- C400 H416 N96 -","16","2","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.7107","MoKα","","0.0731","0.0651","","","0.1321","0.1363","","","","","","1.062","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202022","15.3782","0.0019","16.46","0.002","20.12","0.003","90","","90","","90","","5092.9","1.2","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","","","","- C28 H48 Cu4 N24 O50 P W12 -","- C28 H16 Cu4 N24 O50 P W12 -","- C56 H32 Cu8 N48 O100 P2 W24 -","2","0.125","","Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long","A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand","CrystEngComm","2008","10","9","1129","","10.1039/b802627k","","","0.71073","MoKα","","0.0779","0.0589","","","0.1687","0.1821","","","","","","1.066","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202023","14.501","0.003","15.205","0.004","16.228","0.004","80.506","0.003","89.984","0.003","75.23","0.003","3409.2","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H84 Cu4 F8 Mo24 N26 O88 P2 -","- C64 H80 Cu4 F8 Mo24 N26 O88 P2 -","- C64 H80 Cu4 F8 Mo24 N26 O88 P2 -","1","0.5","","Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long","A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand","CrystEngComm","2008","10","9","1129","","10.1039/b802627k","","","0.71069","MoKα","","0.0833","0.0643","","","0.1694","0.1888","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202024","26.2714","0.0006","7.4956","0.0001","17.4303","0.0004","90","","116.97","0.001","90","","3059.08","0.11","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 Cl2 Mg N O9 P2 -","- C6 H17 Cl2 Mg N O9 P2 -","- C48 H136 Cl16 Mg8 N8 O72 P16 -","8","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.0296","0.025","","","0.0612","0.0635","","","","","","1.044","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202025","8.6449","0.0002","6.1356","0.0001","28.8664","0.0005","90","","98.332","0.001","90","","1514.96","0.05","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ba Cl2 N O8 P2 -","- C6 H15 Ba Cl2 N O8 P2 -","- C24 H60 Ba4 Cl8 N4 O32 P8 -","4","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.0202","0.017","","","0.0377","0.0388","","","","","","1.048","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202026","22.1065","0.0008","9.2205","0.0004","28.5816","0.0008","90","","93.194","0.002","90","","5816.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H29 Cl4 N2 O13.5 P4 Sr2 -","- C12 H29 Cl4 N2 O13.5 P4 Sr2 -","- C96 H232 Cl32 N16 O108 P32 Sr16 -","8","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.073","0.0475","","","0.0923","0.0995","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202027","15.4913","0.0008","9.6377","0.0004","7.4509","0.0003","90","","102.594","0.002","90","","1085.66","0.08","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu N4 O10 -","- C18 H26 Cu N4 O10 -","- C36 H52 Cu2 N8 O20 -","2","0.5","","Choudhury, Somnath Ray; Jana, Atish Dipankar; Chen, Chih-Yuan; Dutta, Amitava; Colacio, Enrique; Lee, Hon Man; Mostafa, Golam; Mukhopadhyay, Subrata","pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes","CrystEngComm","2008","10","10","1358","","10.1039/b802723d","","x-ray","0.71073","MoKα","","0.0255","0.0228","","","0.0659","0.0674","","","","","","1.064","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202033","14.615","0.008","7.051","0.004","22.65","0.01","90","","91.661","0.006","90","","2333","2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H13 Co N O10 -","- C7 H2 Co N O10 -","- C56 H16 Co8 N8 O80 -","8","1","","Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki","Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding","CrystEngComm","2008","10","11","1516","","10.1039/b802854k","","","0.7107","MoKα","","","0.0564","","","","0.078","","","","","","1.839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202034","12.189","0.004","15.347","0.005","19.466","0.006","79.15","0.01","74.8","0.01","80.59","0.01","3426.1","1.9","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H102 Co7 N8 O58 -","- C76 H64 Co7 N8 O58 -","- C76 H64 Co7 N8 O58 -","1","0.5","","Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki","Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding","CrystEngComm","2008","10","11","1516","","10.1039/b802854k","","","0.7107","MoKα","","","0.099","","","","0.117","","","","","","1.839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202035","18.2439","0.0002","14.5934","0.0002","8.428","0.0001","90","","90","","90","","2243.88","0.05","173","","173","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C40 H27 Ag2 F6 N19 O6 S2 -","- C40 H27 Ag2 F6 N19 O6 S2 -","- C80 H54 Ag4 F12 N38 O12 S4 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Reymann, Sébastien; Schaffner, Silvia","A new twist to 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine complexes of silver(i)","CrystEngComm","2008","10","8","991","","10.1039/b803006e","","","0.71073","MoKα","","0.0996","0.0632","","0.101","0.0719","0.0719","","","","","","1.0738","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202036","13.668","0.003","7.3268","0.0015","20.232","0.004","90","","94.86","0.03","90","","2018.8","0.7","386","2","293","2","","","","","","","L6 and AgNO3 in Water/THF","5","P 1 21/n 1","-P 2yn","14","L6AgNO3.H2O","","","- C32 H40 Ag2 N6 O20 -","- C32 H40 Ag2 N6 O20 -","- C64 H80 Ag4 N12 O40 -","2","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.0618","0.0454","","","0.1027","0.1125","","","","","","1.078","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202037","6.9203","0.0014","12.156","0.002","12.332","0.003","63.18","0.03","87.13","0.03","79.87","0.03","910.9","0.4","386","2","293","2","","","","","","","L6 and AgNO3 in THF/Water","5","P -1","-P 1","2","L6AgNO3","","","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","1","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.0423","0.0386","","","0.0953","0.0985","","","","","","1.066","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202038","6.6811","0.0013","12.263","0.003","22.585","0.004","90","","94.74","0.03","90","","1844.1","0.7","386","2","293","2","","","","","","","L6 and AgNO3 in THF/Water","5","P 1 21/c 1","-P 2ybc","14","L6AgNO3","","","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","- C64 H64 Ag4 N12 O32 -","2","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.2719","0.1237","","","0.2162","0.2764","","","","","","1.032","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202039","28.945","0.007","8.655","0.002","14.105","0.004","90","","116.326","0.004","90","","3167.1","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Eu O8 -","- C22 H14 Eu O8 -","- C88 H56 Eu4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0755","0.0681","","","0.1828","0.1875","","","","","","1.115","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202040","29.007","0.006","8.6876","0.0017","14.166","0.003","90","","116.276","0.003","90","","3201","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 O8 Sm -","- C22 H14 O8 Sm -","- C88 H56 O32 Sm4 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0692","0.0684","","","0.1976","0.1986","","","","","","1.091","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202041","27.615","0.01","8.842","0.003","14.318","0.005","90","","114.311","0.004","90","","3186","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 La O8 -","- C22 H14 La O8 -","- C88 H56 La4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0696","0.0663","","","0.1919","0.1981","","","","","","1.119","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202042","28.912","0.008","8.789","0.002","14.257","0.004","90","","116.141","0.007","90","","3252.2","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Ce O8 -","- C22 H14 Ce O8 -","- C88 H56 Ce4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0648","0.0629","","","0.1838","0.1855","","","","","","1.133","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202043","28.905","0.008","8.622","0.003","14.066","0.004","90","","116.395","0.005","90","","3140.1","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Gd O8 -","- C22 H14 Gd O8 -","- C88 H56 Gd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.1077","0.0978","","","0.2416","0.2495","","","","","","1.053","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202044","28.769","0.012","8.723","0.003","14.179","0.006","90","","116.028","0.011","90","","3197","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Nd O8 -","- C22 H14 Nd O8 -","- C88 H56 Nd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0731","0.0676","","","0.1903","0.1935","","","","","","1.163","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202045","9.8988","0.0005","9.8988","0.0005","36.629","0.004","90","","90","","120","","3108.3","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 B2 Cd F8 N12 -","- C36 H36 B2 Cd F8 N12 -","- C108 H108 B6 Cd3 F24 N36 -","3","0.166667","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0488","0.0441","","","0.1013","0.1039","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202046","22.183","0.007","14.357","0.004","17.947","0.004","90","","128.555","0.009","90","","4470","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Cd(tib)2)(NO3)2-2(EtOH)","[Cd(tib)2](NO3)2-2(EtOH)","","- C40 H48 Cd N14 O8 -","- C40 H46 Cd N14 O8 -","- C160 H184 Cd4 N56 O32 -","4","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0599","0.0498","","","0.1232","0.1285","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202047","14.294","0.002","17.334","0.003","22.245","0.002","90","","99.827","0.008","90","","5430.8","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Cd(tib)(OAc)2)-4.5(H2O)","[Cd(tib)(OAc)2]-4.5(H2O)","","- C22 H33 Cd N6 O8.5 -","- C22 H33 Cd N6 O8.5 -","- C176 H264 Cd8 N48 O68 -","8","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0436","0.0316","","","0.0647","0.0692","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202048","9.78","0.002","10.532","0.002","11.572","0.002","63.37","0.03","77.83","0.03","82.84","0.03","1040.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cd Cl2 N6 O -","- C19 H21 Cd Cl2 N6 O -","- C38 H42 Cd2 Cl4 N12 O2 -","2","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0742","0.0536","","","0.0666","0.0705","","","","","","1.001","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202049","10.7409","0.0016","10.2112","0.0015","19.623","0.003","90","","103.429","0.003","90","","2093.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd Cl2 N12 O6 -","- C36 H48 Cd Cl2 N12 O6 -","- C72 H96 Cd2 Cl4 N24 O12 -","2","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0697","0.0545","","","0.1274","0.1371","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202050","9.795","0.005","11.219","0.006","13.129","0.006","64.551","0.016","67.682","0.016","74.765","0.019","1196.6","1.1","200","","200","","","","","","","","","5","P -1","-P 1","2","(Cd(XG4)2)(Cd2I6)?","[Cd(XG4)2][Cd2I6]?","","- C36 H36 Cd3 I6 N12 -","- C36 H36 Cd3 I6 N12 -","- C36 H36 Cd3 I6 N12 -","1","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0477","0.0397","","","0.0899","0.0938","","","","","","1.04","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202051","10.031","0.0002","10.031","0.0002","29.979","0.0006","90","","90","","90","","3016.52","0.1","120","2","120","2","","","","","","","Roberto Quesada","7","I 4/m","-I 4","87","","","","- C14.5 H33.25 Cl N8 O3 Pt S4 -","- C14.5 H32 Cl N8 O3 Pt S4 -","- C58 H128 Cl4 N32 O12 Pt4 S16 -","4","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0267","0.0239","","","0.0539","0.0548","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202052","8.674","0.005","9.39","0.005","9.551","0.005","90.064","0.005","112.979","0.005","104.68","0.005","688.4","0.7","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C18 H32 N8 O6 Pt S4 -","- C18 H32 N8 O6 Pt S4 -","- C18 H32 N8 O6 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0741","0.0659","","","0.1563","0.1634","","","","","","1.043","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202053","10.5428","0.0003","14.2305","0.0003","17.6424","0.0005","90","","90","","90","","2646.88","0.12","120","2","120","2","","","","","","","Roberto Quesada","6","P c c n","-P 2ab 2ac","56","","","","- C14 H24 N8 O6 Pt S4 -","- C14 H24 N8 O6 Pt S4 -","- C56 H96 N32 O24 Pt4 S16 -","4","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0725","0.0387","","","0.0797","0.0892","","","","","","1.025","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202054","8.69","0.0001","9.178","0.0002","9.543","0.0002","85.112","0.001","65.951","0.001","65.564","0.001","629.6","0.02","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C16 H32 N8 O4 Pt S4 -","- C16 H32 N8 O4 Pt S4 -","- C16 H32 N8 O4 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0185","0.0185","","","0.0393","0.0394","","","","","","1.04","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202055","9.9248","0.0002","11.2125","0.0003","11.4504","0.0003","62.074","0.001","86.405","0.001","87.683","0.001","1123.54","0.05","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C12 H24 N8 O4 Pt S4 -","- C12 H24 N8 O4 Pt S4 -","- C24 H48 N16 O8 Pt2 S8 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.019","0.018","","","0.0425","0.0429","","","","","","1.023","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202056","9.079","0.0002","10.1629","0.0002","18.0682","0.0003","86.435","0.001","75.88","0.001","70.191","0.001","1520.71","0.05","120","2","120","2","","","","","","","Robeto Quesada","6","P -1","-P 1","2","","","","- C21 H32 N8 O9 Pt S4 -","- C21 H32 N8 O9 Pt S4 -","- C42 H64 N16 O18 Pt2 S8 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0341","0.0243","","","0.048","0.0507","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202057","8.933","0.0002","9.1168","0.0002","10.3243","0.0003","73.117","0.001","89.962","0.001","74.79","0.001","773.79","0.03","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C22 H32 N8 O10 Pt S4 -","- C22 H32 N8 O10 Pt S4 -","- C22 H32 N8 O10 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0197","0.0196","","","0.0413","0.0414","","","","","","1.05","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202058","13.882","0.005","8.601","0.005","11.59","0.005","90","","90","","90","","1383.8","1.1","120","2","120","2","","","","","","","Roberto Quesada","6","P n n m","-P 2 2n","58","","","","- C20 H24 N8 O4 Pt S4 -","- C20 H24 N8 O4 Pt S4 -","- C40 H48 N16 O8 Pt2 S8 -","2","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0559","0.0484","","","0.1581","0.1614","","","","","","1.276","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202059","8.3659","0.0002","9.7365","0.0001","12.5373","0.0003","90.805","0.002","98.259","0.001","113.852","0.002","921.37","0.04","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C32 H34 N8 O8 Pt S4 -","- C32 H34 N8 O8 Pt S4 -","- C32 H34 N8 O8 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0218","0.0216","","","0.0504","0.0505","","","","","","1.036","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202060","9.558","0.0002","9.934","0.0002","11.159","0.0002","80.721","0.001","78.108","0.001","86.762","0.001","1022.93","0.04","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C40 H38 N8 O8 Pt S4 -","- C40 H38 N8 O8 Pt S4 -","- C40 H38 N8 O8 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0338","0.0277","","","0.0571","0.0588","","","","","","1.052","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202062","8.6165","0.0004","14.8416","0.0007","24.394","0.0012","90","","90","","90","","3119.6","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N O6 P -","- C36 H34 N O6 P -","- C144 H136 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0476","0.0433","","","0.0991","0.1016","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202063","8.6388","0.0008","14.7982","0.0014","24.537","0.002","90","","90","","90","","3136.8","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0817","0.0758","","","0.1693","0.172","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202064","8.7098","0.0006","14.6885","0.0011","24.5732","0.0018","90","","90","","90","","3143.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0695","0.0542","","","0.1031","0.1091","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202065","15.2273","0.0015","9.6988","0.0009","17.8475","0.0017","90","","110.874","0.002","90","","2462.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Ag N2 O4 -","- C28 H29 Ag N2 O4 -","- C112 H116 Ag4 N8 O16 -","4","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.1374","0.053","","","0.0816","0.1057","","","","","","0.957","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202066","27.1014","0.0014","30.1316","0.0015","19.726","0.001","90","","90","","90","","16108.4","1.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C75 H83 Ag7 Cl K2 N4 O31.5 -","- C75 H68 Ag7 Cl K2 N4 O31.5 -","- C600 H544 Ag56 Cl8 K16 N32 O252 -","8","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.121","0.0955","","","0.2575","0.2874","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202067","8.593","0.002","8.85","0.003","9.927","0.003","90","","112.927","0.005","90","","695.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C28 H32 N12 O4 -","2","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.053","0.0405","","","0.1042","0.1112","","","","","","1.046","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202068","7.6927","0.0007","9.7564","0.0009","17.2857","0.0017","81.067","0.002","81.968","0.002","86.102","0.002","1267.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 N6 O13 S Zn -","- C16 H32 N6 O13 S Zn -","- C32 H64 N12 O26 S2 Zn2 -","2","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0485","0.0409","","","0.0907","0.0944","","","","","","1.001","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202069","13.0983","0.0012","13.9309","0.0012","24.194","0.002","90","","94.795","0.002","90","","4399.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N12 O14 S Zn -","- C36 H48 N12 O14 S Zn -","- C144 H192 N48 O56 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0971","0.0689","","","0.1662","0.1818","","","","","","1.074","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202070","13.1959","0.0016","13.9981","0.0017","23.607","0.003","90","","94.712","0.002","90","","4345.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 N12 O14 S Zn -","- C34 H36 N12 O14 S Zn -","- C136 H144 N48 O56 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.1297","0.088","","","0.2163","0.2359","","","","","","1.31","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202071","13.3717","0.0009","13.695","0.0009","24.4168","0.0017","90","","96.412","0.001","90","","4443.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N12 O16 S Zn -","- C36 H56 N12 O16 S Zn -","- C144 H224 N48 O64 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0722","0.0569","","","0.1523","0.1626","","","","","","1.104","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202072","27.1492","0.0011","6.0119","0.0002","7.2935","0.0003","90","","90","","90","","1190.43","0.08","293","2","293","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","1","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.027","","","","0.0454","","","","","","1.032","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202073","27.0798","0.0013","5.7437","0.0003","7.452","0.003","90","","90","","90","","1159.1","0.5","293","2","293","2","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","0.5","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.0357","","","","0.0627","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202077","14.498","0.003","21.071","0.005","22.764","0.005","67.934","0.004","77.079","0.004","84.601","0.004","6281","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H117 Ag3 Cr N4 O20.27 P7 -","- C136 H105 Ag3 Cr N4 O20.27 P7 -","- C272 H210 Ag6 Cr2 N8 O40.54 P14 -","2","1","","Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.","The crystallisation and packing of [Cr(C2O4Ag(PPh3)2)3] (Ph3P/Ph3PO) (MeNO2)4","CrystEngComm","2008","10","8","1044","","10.1039/b803643h","","x-ray","0.71073","MoKα","","","0.066","","","","0.103","","","","","","1.71","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202078","15.083","0.002","20.531","0.003","3.6656","0.0006","90","","90","","90","","1135.1","0.3","293","2","293","2","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C20 H16 Cl Cu2 N5 O3 -","- C20 H16 Cl Cu2 N5 O3 -","- C40 H32 Cl2 Cu4 N10 O6 -","2","0.25","","Hao, Hong-Qing; Wang, Jing; Liu, Wen-Ting; Tong, Ming-Liang","Two 3D hybrid networks of mog and bcu topology constructed with copper(I/I,II) halides and N,N′-spacers","CrystEngComm","2008","10","10","1454","","10.1039/b803728k","","","0.71073","MoKα","","0.0752","0.0674","","","0.1986","0.2075","","","","","","1.175","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202079","15.5963","0.0002","9.1944","0.0001","24.2176","0.0002","90","","101.474","0.001","90","","3403.37","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 Cl2 Cu4 N8 O13 -","- C68 H64 Cl2 Cu4 N8 O13 -","- C136 H128 Cl4 Cu8 N16 O26 -","2","0.5","","Hao, Hong-Qing; Wang, Jing; Liu, Wen-Ting; Tong, Ming-Liang","Two 3D hybrid networks of mog and bcu topology constructed with copper(I/I,II) halides and N,N′-spacers","CrystEngComm","2008","10","10","1454","","10.1039/b803728k","","","1.54178","CuKα","","0.06","0.0456","","","0.1245","0.1311","","","","","","1.109","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202080","11.7254","0.0012","12.6702","0.0013","16.507","0.003","96.307","0.002","96.961","0.002","113.76","0.001","2193.7","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Co2 N12 O16 S4 -","- C36 H32 Co2 N12 O16 S4 -","- C72 H64 Co4 N24 O32 S8 -","2","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0562","0.0381","","","0.1012","0.1116","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202081","8.345","0.005","11.673","0.007","12.642","0.007","113.281","0.007","95.691","0.008","98.615","0.008","1101.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N6 O8 S2 Zn -","- C18 H16 N6 O8 S2 Zn -","- C36 H32 N12 O16 S4 Zn2 -","2","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0478","0.0329","","","0.0767","0.0803","","","","","","1.002","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202082","24.2121","0.0019","11.5806","0.0006","7.8686","0.0006","90","","99.652","0.001","90","","2175.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N6 O7 Pb S2 -","- C18 H14 N6 O7 Pb S2 -","- C72 H56 N24 O28 Pb4 S8 -","4","0.5","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0188","0.0164","","","0.0361","0.0367","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202083","7.491","0.0007","14.3672","0.0013","22.775","0.002","90","","90","","90","","2451.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N6 O9 S2 -","- C18 H18 Cu N6 O9 S2 -","- C72 H72 Cu4 N24 O36 S8 -","4","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0325","0.03","","","0.0928","0.0948","","","","","","1.047","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202084","4.7162","0.0004","26.4099","0.0019","8.1806","0.0006","90","","105.484","0.001","90","","981.95","0.13","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cd N6 O6 S2 -","- C18 H12 Cd N6 O6 S2 -","- C36 H24 Cd2 N12 O12 S4 -","2","0.5","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.022","0.0199","","","0.0459","0.0469","","","","","","1.047","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202085","10.957","0.0011","9.9635","0.001","15.4573","0.0015","90","","94.426","0.002","90","","1682.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1687","0.059","","0.177","0.134","","","","0.986","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202086","4.7126","0.001","15.269","0.003","24.148","0.005","90","","94.024","0.003","90","","1733.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1641","0.069","","0.1625","0.1291","","","","1.007","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202087","9.459","0.002","14.67","0.003","15.634","0.003","75.506","0.002","75.031","0.003","88.204","0.003","2027.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F6 N4 P -","- C20 H19 F6 N4 P -","- C80 H76 F24 N16 P4 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1651","0.0727","","0.2447","0.1873","","","","1.051","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202088","7.6483","0.0004","30.7546","0.0016","11.2156","0.0006","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H20 Cd N4 O5 S -","- C20 H20 Cd N4 O5 S -","- C80 H80 Cd4 N16 O20 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0769","0.0609","","0.1579","0.1503","","","","1.156","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202089","9.946","0.0008","13.3417","0.0011","14.7986","0.0012","75.858","0.001","87.671","0.001","81.244","0.001","1882","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N10 O6 -","- C40 H36 Cd N10 O6 -","- C80 H72 Cd2 N20 O12 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71003","MoKα","","0.071","0.0463","","0.1078","0.0975","","","","1.027","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202090","7.7149","0.0007","9.1923","0.0009","12.6485","0.0012","91.84","0.001","92.217","0.001","110.668","0.001","837.64","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cd N4 O8 S2 -","- C34 H36 Cd N4 O8 S2 -","- C34 H36 Cd N4 O8 S2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0421","0.0334","","0.0784","0.0739","","","","1.046","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202091","9.0753","0.0019","9.997","0.002","17.486","0.004","91.871","0.003","93.356","0.003","108.918","0.002","1495.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H70 Cd N8 O12 S2 -","- C58 H70 Cd N8 O12 S2 -","- C58 H70 Cd N8 O12 S2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.063","0.0431","","0.1044","0.0961","","","","1.029","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202092","34.742","0.011","9.127","0.003","12.18","0.004","90","","106.64","0.005","90","","3700","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Co N8 O4 S -","- C40 H36 Co N8 O4 S -","- C160 H144 Co4 N32 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.2461","0.0786","","0.1589","0.1115","","","","0.946","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202093","8.7796","0.0019","14.857","0.003","21.621","0.005","72.212","0.004","81.686","0.004","83.572","0.004","2650.3","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H122 Co2 N24 O20 -","- C108 H118 Co2 N24 O20 -","- C108 H118 Co2 N24 O20 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1551","0.108","","0.3327","0.2928","","","","1.042","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202094","14.1572","0.0017","9.6534","0.0012","17.317","0.002","90","","91.729","0.002","90","","2365.6","0.5","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C46 H56 Cu N8 O10 S -","- C46 H48 Cu N8 O10 S -","- C92 H96 Cu2 N16 O20 S2 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0822","0.0654","","0.1929","0.1777","","","","1.041","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202095","8.85","0.0006","9.091","0.0007","13.24","0.001","71.503","0.003","83.998","0.003","67.939","0.003","936.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cu N10 O6 -","- C40 H36 Cu N10 O6 -","- C40 H36 Cu N10 O6 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1243","0.0737","","0.185","0.1587","","","","1.005","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202096","14.862","0.005","16.693","0.006","34.116","0.012","90","","96.453","0.005","90","","8410","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 N16 O8 S2 Zn2 -","- C80 H72 N16 O8 S2 Zn2 -","- C320 H288 N64 O32 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.3186","0.0993","","0.3126","0.2438","","","","0.719","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202098","10.0688","0.0005","14.867","0.0007","21.1059","0.001","69.382","0.001","82.833","0.001","88.859","0.001","2933","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 N26 Ni3 O12 P4 -","- C40 H60 N26 Ni3 O12 P4 -","- C80 H120 N52 Ni6 O24 P8 -","2","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0354","0.0287","","","0.0744","0.0772","","","","","","1.063","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202099","9.008","0.0004","16.1663","0.0008","22.6665","0.0011","90","","90.039","0.001","90","","3300.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 N14 Ni O8 P -","- C21 H37 N14 Ni O8 P -","- C84 H148 N56 Ni4 O32 P4 -","4","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0398","0.0293","","","0.0832","0.0873","","","","","","1.066","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202100","9.9153","0.001","12.8275","0.0013","20.407","0.002","76.501","0.002","88.539","0.001","68.8","0.002","2348.1","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H50 N21 Ni2 O9 P2 -","- C32 H51 N21 Ni2 O9 P2 -","- C64 H102 N42 Ni4 O18 P4 -","2","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0505","0.0376","","","0.1166","0.1234","","","","","","1.093","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202101","9.333","0.0006","23.5953","0.0014","26.7989","0.0016","90","","97.765","0.001","90","","5847.4","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 N23 Ni2 O17 P3 -","- C36 H68 N23 Ni2 O17 P3 -","- C144 H272 N92 Ni8 O68 P12 -","4","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0933","0.0774","","","0.2225","0.2339","","","","","","1.143","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202103","8.552","0.003","4.9588","0.0017","24.778","0.01","90","","95.154","0.006","90","","1046.5","0.7","133","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O8 Zn2 -","- C10 H6 O8 Zn2 -","- C40 H24 O32 Zn8 -","4","1","","Cao, Xin-Yi; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Single- or double-stranded helices-sustained molecular bilayer architecture","CrystEngComm","2008","10","10","1345","","10.1039/b804371j","","","0.71073","MoKα","","0.0305","0.0284","","","0.08","0.081","","","","","","1.068","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202104","17.45","0.002","9.41","0.0006","28.87","0.003","90","","105.81","0.006","90","","4561.2","0.8","133.15","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","- C184 H168 Cd12 N16 O64 -","4","0.5","","Cao, Xin-Yi; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Single- or double-stranded helices-sustained molecular bilayer architecture","CrystEngComm","2008","10","10","1345","","10.1039/b804371j","","","0.71073","MoKα","","0.0577","0.053","","","0.1382","0.1413","","","","","","1.08","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202105","27.42","0.005","27.42","0.005","7.0011","0.0018","90","","90","","120","","4558.6","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Dy2 N4 O12.83 -","- C10 H10.6667 Cu Dy2 N4 O12.8333 -","- C90 H96 Cu9 Dy18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0316","0.0262","","","0.0671","0.0749","","","","","","1.002","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202106","27.3601","0.0008","27.3601","0.0008","6.9815","0.0004","90","","90","","120","","4526","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Ho2 N4 O12.83 -","- C10 H10.6667 Cu Ho2 N4 O12.8333 -","- C90 H96 Cu9 Ho18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0278","0.026","","","0.067","0.068","","","","","","1.003","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202107","27.294","0.004","27.294","0.004","6.9565","0.0013","90","","90","","120","","4488","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Er2 N4 O12.83 -","- C10 H10.6667 Cu Er2 N4 O12.8333 -","- C90 H96 Cu9 Er18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0255","0.0223","","","0.0741","0.0819","","","","","","1.001","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202109","6.961","0.004","19.331","0.008","13.812","0.007","90","","95.43","0.02","90","","1850.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N4 Ni O5 -","- C18 H18 N4 Ni O5 -","- C72 H72 N16 Ni4 O20 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0393","0.031","","","0.0665","0.0695","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202110","8.244","0.005","9.858","0.006","12.13","0.006","103.88","0.02","96.27","0.02","105.88","0.02","904.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C36 H36 Cu2 N8 O10 -","2","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.0676","0.0528","","","0.1581","0.1684","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202111","10.352","0.005","12.761","0.005","14.229","0.006","90","","97.241","0.018","90","","1864.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C72 H72 Cu4 N16 O20 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0692","0.0476","","","0.1215","0.1332","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202112","9.472","0.004","17.653","0.005","8.516","0.003","90","","97.072","0.015","90","","1413.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Co N4 O5 -","- C12 H14 Co N4 O5 -","- C48 H56 Co4 N16 O20 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0395","0.0293","","","0.0579","0.0617","","","","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202113","17.302","0.008","13.499","0.007","13.768","0.006","90","","102.085","0.016","90","","3144","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cu N4 O5 -","- C15 H15 Cu N4 O5 -","- C120 H120 Cu8 N32 O40 -","8","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1571","0.0736","","","0.1695","0.2152","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202114","18.39","0.003","14.018","0.003","13.338","0.006","90","","101.919","0.012","90","","3364.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co2 N8 O11 -","- C30 H30 Co2 N8 O11 -","- C120 H120 Co8 N32 O44 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0671","0.0438","","","0.1031","0.1146","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202115","13.542","0.005","16.939","0.005","13.351","0.003","90","","112.484","0.013","90","","2829.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cu5 N8 O22 -","- C52 H47.112 Cu5 N8 O22 -","- C104 H94.224 Cu10 N16 O44 -","2","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.0506","0.0404","","","0.0983","0.1035","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202116","11.7668","0.0016","16.821","0.003","20.579","0.003","90","","90","","90","","4073.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H40 Cu3 N8 O17 -","- C38 H40 Cu3 N8 O17 -","- C152 H160 Cu12 N32 O68 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1394","0.0603","","","0.1188","0.1442","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202117","8.6815","0.0007","13.0155","0.0011","19.137","0.0016","90","","93.964","0.001","90","","2157.2","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 O14 Zn2.5 -","- C20 H14 N3 O14 Zn2.5 -","- C80 H56 N12 O56 Zn10 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0241","0.0209","","","0.0553","0.0564","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202118","24.4776","0.0017","34.405","0.002","9.8623","0.0006","90","","90","","90","","8305.6","0.9","294","2","294","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C13 H13 N6 O9 Zn2.5 -","- C13 H9 N6 O9 Zn2.5 -","- C208 H144 N96 O144 Zn40 -","16","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0227","0.0218","","","0.0731","0.0735","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202119","7.6066","0.0011","9.968","0.0013","11.0456","0.0015","80.207","0.002","72.592","0.002","69.377","0.002","745.97","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N6 O18 Zn2 -","- C22 H26 N6 O18 Zn2 -","- C22 H26 N6 O18 Zn2 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0316","0.03","","","0.0835","0.0845","","","","","","1.037","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202120","7.2005","0.0015","12.813","0.003","14.723","0.003","74.624","0.004","89.392","0.004","87.687","0.003","1308.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 La2 N3 Ni1.5 O22.5 -","- C15 H15 La2 N3 Ni1.5 O22.5 -","- C30 H30 La4 N6 Ni3 O45 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0438","0.0397","","","0.1018","0.1046","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202121","7.2229","0.0011","12.7689","0.0019","14.766","0.002","74.862","0.002","89.617","0.002","87.493","0.002","1313.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 La2 N3 Ni1.5 O21 -","- C15 H21 La2 N3 Ni1.5 O21 -","- C30 H42 La4 N6 Ni3 O42 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0287","0.027","","","0.0806","0.082","","","","","","1.135","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202122","7.1179","0.0016","12.65","0.003","14.633","0.003","74.922","0.004","89.513","0.004","87.403","0.004","1270.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 N3 Nd2 Ni1.5 O22 -","- C15 H21 N3 Nd2 Ni1.5 O22 -","- C30 H42 N6 Nd4 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0502","0.0445","","","0.0946","0.098","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202123","7.0976","0.0019","12.604","0.003","14.654","0.004","74.981","0.005","89.72","0.005","87.365","0.005","1264.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Eu2 N3 Ni1.5 O22 -","- C15 H21 Eu2 N3 Ni1.5 O22 -","- C30 H42 Eu4 N6 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0524","0.043","","","0.0977","0.102","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202124","7.0723","0.0014","12.517","0.003","14.536","0.003","74.901","0.004","89.669","0.004","87.133","0.004","1240.8","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Gd2 N3 Ni1.5 O22 -","- C15 H21 Gd2 N3 Ni1.5 O22 -","- C30 H42 Gd4 N6 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0439","0.0415","","","0.1067","0.1087","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202125","7.113","0.002","8.519","0.002","12.641","0.004","74.748","0.005","88.024","0.005","86.919","0.005","737.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N4 Ni2 O24 Pr2 -","- C18 H24 N4 Ni2 O24 Pr2 -","- C18 H24 N4 Ni2 O24 Pr2 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0378","0.0371","","","0.111","0.1121","","","","","","1.007","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202126","7.153","0.002","8.569","0.003","12.57","0.004","75.026","0.006","87.787","0.006","85.779","0.006","742.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni2 O22 Pr2 -","- C18 H24 N4 Ni2 O22 Pr2 -","- C18 H24 N4 Ni2 O22 Pr2 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0576","0.0531","","","0.1329","0.136","","","","","","1.075","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202127","7.225","0.0013","8.6469","0.0016","12.836","0.002","74.971","0.003","87.847","0.003","86.518","0.003","772.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 La N2 Ni O12 -","- C9 H12 La N2 Ni O12 -","- C18 H24 La2 N4 Ni2 O24 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0253","0.0248","","","0.0651","0.0654","","","","","","1.104","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202128","7.163","0.0016","8.5771","0.0019","12.728","0.003","74.789","0.004","87.82","0.004","86.685","0.004","753.1","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N4 Nd2 Ni2 O24 -","- C18 H24 N4 Nd2 Ni2 O24 -","- C18 H24 N4 Nd2 Ni2 O24 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0396","0.039","","","0.1003","0.1011","","","","","","1.017","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202129","7.1243","0.0019","8.578","0.002","12.695","0.003","74.769","0.004","87.335","0.005","86.314","0.005","746.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Eu2 N4 Ni2 O24 -","- C18 H24 Eu2 N4 Ni2 O24 -","- C18 H24 Eu2 N4 Ni2 O24 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0432","0.0422","","","0.1157","0.1169","","","","","","1.106","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202130","7.4026","0.0018","8.224","0.002","9.822","0.002","81.482","0.004","81.709","0.004","83.254","0.004","582.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Dy2 N2 Ni O20 -","- C12 H18 Dy2 N2 Ni O20 -","- C12 H18 Dy2 N2 Ni O20 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.037","0.0358","","","0.0905","0.0915","","","","","","1.065","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202131","9.427","0.003","11.482","0.004","12.836","0.004","68.977","0.007","81.168","0.005","65.834","0.004","1183.2","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Cd2 N4 O12 -","- C56 H42 Cd2 N4 O12 -","- C56 H42 Cd2 N4 O12 -","1","0.5","","Luo, Feng; Yang, Yu-Ting; Che, Yun-Xia; Zheng, Ji-Min","An unusual metal‒organic framework showing both rotaxane- and cantenane-like motifs","CrystEngComm","2008","10","8","981","","10.1039/b805025b","","","0.71073","MoKα","","0.0563","0.0405","","","0.0824","0.0878","","","","","","1.04","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202132","12.905","0.003","4.573","0.0009","16.072","0.003","90","","114.79","0.03","90","","861.1","0.4","220","0.1","295","2","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0892","0.0662","","","0.1507","0.166","","","","","","1.159","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202133","12.817","0.003","4.5223","0.0009","15.757","0.003","90","","114.45","0.03","90","","831.4","0.4","100","0.1","295","2","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0646","0.057","","","0.12","0.1255","","","","","","1.116","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202134","12.649","0.003","4.4767","0.0009","15.425","0.003","90","","112.98","0.03","90","","804.1","0.3","295","2","295","2","","","540000","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0325","0.0268","","","0.0662","0.0698","","","","","","1.172","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202135","7.0153","0.0014","12.599","0.003","4.5877","0.0009","90","","90","","90","","405.49","0.15","295","2","295","2","","","800000","","","","","3","F m m 2","F 2 -2","42","diiodomethane, polymorph II","diiodomethane, polymorph II","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0461","0.0407","","","0.0506","0.0518","","","","","","1.23","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202136","12.118","0.003","23.052","0.007","14.59","0.004","90","","94.792","0.013","90","","4061.4","1.9","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cl6 N2 O4 Pd -","- C42 H38 Cl6 N2 O4 Pd -","- C168 H152 Cl24 N8 O16 Pd4 -","4","1","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1401","0.0716","","","0.1371","0.1639","","","","","","1.029","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202137","19.4585","0.0018","20.414","0.002","17.2783","0.0015","90","","93.127","0.008","90","","6853.2","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33.5 Cl2 N2 O4.75 Pd -","- C39 H32 Cl2 N2 O4.75 Pd -","- C312 H256 Cl16 N16 O38 Pd8 -","8","2","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1116","0.0514","","","0.1053","0.121","","","","","","0.916","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202138","18.184","0.004","19.203","0.004","13.458","0.003","90","","112.49","0.03","90","","4342","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Cl4 N2 O4 Pd2 -","- C39 H31 Cl4 N2 O4 Pd2 -","- C156 H124 Cl16 N8 O16 Pd8 -","4","0.5","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1516","0.0684","","","0.1603","0.1875","","","","","","0.84","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202139","21.909","0.006","9.982","0.003","20.68","0.006","90","","110.377","0.005","90","","4240","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cd3 N8 O12 -","- C46 H34 Cd3 N8 O12 -","- C184 H136 Cd12 N32 O48 -","4","0.5","","Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng","Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate","CrystEngComm","2008","10","10","1379","","10.1039/b805263h","","","0.71073","MoKα","","0.0619","0.0453","","","0.09","0.0955","","","","","","1.037","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202140","10.142","0.002","14.93","0.004","15.4664","0.0016","114.061","0.002","106.591","0.001","94.815","0.003","1995","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H65 N16 O18 Zn4 -","- C83 H65 N16 O18 Zn4 -","- C83 H65 N16 O18 Zn4 -","1","0.5","","Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng","Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate","CrystEngComm","2008","10","10","1379","","10.1039/b805263h","","","0.71073","MoKα","","0.0769","0.0581","","","0.1162","0.1211","","","","","","1.019","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202141","15.326","0.0005","15.982","0.0005","16.135","0.0004","65.687","0.002","77.18","0.002","64.427","0.001","3244.08","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","para-sulfonatocalix(4)arene Chlorhexidine","para-sulfonatocalix[4]arene Chlorhexidine","","- C53 H77 Cl2 N10 O25 S4 -","- C50 H65 Cl2 N10 O22 S4 -","- C100 H130 Cl4 N20 O44 S8 -","2","1","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.0803","0.0544","","","0.1313","0.1433","","","","","","1.046","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202142","10.104","0.002","14.629","0.003","19.376","0.004","69.71","0.03","87.37","0.03","85.17","0.03","2676.3","1.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","calix(4)arene dimethoxycarboxylic acid Chlorhexidine","calix[4]arene dimethoxycarboxylic acid Chlorhexidine","","- C54 H60 Cl2 N10 O9 -","- C54 H60 Cl2 N10 O9 -","- C108 H120 Cl4 N20 O18 -","2","1","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.2945","0.088","","","0.1712","0.2504","","","","","","0.896","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202143","26.444","0.0013","13.126","0.0016","31.572","0.003","90","0.005","109.506","0.006","90","0.006","10329.8","1.7","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","calix(4)arene dihydroxyphosphonic acid Chlorhexidine","calix[4]arene dihydroxyphosphonic acid Chlorhexidine","","- C168 H230 Cl4 K4 N20 O69 P8 -","- C168 H190 Cl4 K4 N20 O69 P8 -","- C336 H380 Cl8 K8 N40 O138 P16 -","2","0.5","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.1038","0.0714","","","0.1695","0.1879","","","","","","1.005","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202146","5.1928","0.0005","12.78","0.0014","15.3165","0.0015","82.143","0.006","80.888","0.006","87.501","0.006","993.96","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O11.5 -","- C18 H17.962 Co N2 O11.481 -","- C36 H35.924 Co2 N4 O22.962 -","2","1","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0523","0.0404","","","0.104","0.1121","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202147","13.1282","0.0003","8.5385","0.0002","17.7763","0.0004","90","","91.939","0.001","90","","1991.5","0.08","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O10 Zn -","- C20 H14 N2 O10 Zn -","- C80 H56 N8 O40 Zn4 -","4","1","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0437","0.0382","","","0.1182","0.1236","","","","","","1.06","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202148","21.693","0.004","8.5861","0.0018","22.878","0.005","90","","100.686","0.012","90","","4187.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd3 N4 O24 -","- C36 H32 Cd3 N4 O24 -","- C144 H128 Cd12 N16 O96 -","4","0.5","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0398","0.0325","","","0.0871","0.0915","","","","","","1.073","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202149","6.6687","0.0013","8.0335","0.0016","11.706","0.002","80.009","0.004","83.271","0.006","83.926","0.006","611","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C34 H26 -","1","0.5","","Wang, H.; Xie, Z. Q.; Yang, B.; Shen, F. Z.; Li, Y. P.; Ma, Y. G.","Several slice-like organic crystals grown by the physical vapor transport method: combining atomic force microscopy and X-ray diffraction to explore the characteristics of crystal formation","CrystEngComm","2008","10","9","1252","","10.1039/b805512b","","","0.71073","MoKα","","0.0794","0.0463","","","0.124","0.1369","","","","","","1.048","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202150","7.544","0.005","8.604","0.007","10.394","0.003","93.18","0.05","97.73","0.04","114.7","0.05","602.7","0.7","293","","293","","","","570000","","","","","4","P -1","-P 1","2","","2:1:2 Paracetamol:piperazine:ethanol solvate","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C24 H40 N4 O6 -","2","1","","Oswald, Iain D. H.; Pulham, Colin R.","Co-crystallisation at high pressure—an additional tool for the preparation and study of co-crystals","CrystEngComm","2008","10","9","1114","","10.1039/b805591b","","","0.71073","MoKα","","0.1123","0.0604","","0.2084","0.1659","0.2084","","","","","","0.9272","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202151","20.365","0.005","19.046","0.005","30.48","0.005","90","","107.768","0.005","90","","11258","4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H70 La1.5 N2 Na0.5 O39.5 S4 -","- C32 H20 La1.5 N2 Na0.5 O39.5 S4 -","- C256 H160 La12 N16 Na4 O316 S32 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71069","MoKα","","0.1124","0.0786","","","0.1943","0.2224","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202152","31.59","0.03","17.867","0.011","22.1","0.02","90","","134.057","0.017","90","","8964","13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N2 Na2 O28.5 S4 Tb -","- C32 H23 N2 Na2 O28.5 S4 Tb -","- C256 H184 N16 Na16 O228 S32 Tb8 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71073","MoKα","","0.106","0.0634","","","0.1463","0.1672","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202153","31.695","0.003","17.9061","0.0012","22.221","0.002","90","","133.979","0.002","90","","9074.9","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Eu N2 Na2 O28.5 S4 -","- C32 H23 Eu N2 Na2 O28.5 S4 -","- C256 H184 Eu8 N16 Na16 O228 S32 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71073","MoKα","","0.1084","0.0597","","","0.1377","0.1622","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202154","10.2701","0.0013","13.3741","0.0017","14.9368","0.0019","89.016","0.002","86.975","0.002","67.753","0.002","1896.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H37 Cu1.5 N3 O15 -","- C35 H37 Cu1.5 N3 O15 -","- C70 H74 Cu3 N6 O30 -","2","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.1061","0.066","","","0.1916","0.2235","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202155","34.849","0.005","13.4109","0.0015","26.387","0.003","90","","131.039","0.004","90","","9302","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H90 Cu4 N8 O33 -","- C82 H90 Cu4 N8 O33 -","- C328 H360 Cu16 N32 O132 -","4","0.5","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.2289","0.0827","","","0.2106","0.227","","","","","","0.869","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202156","15.9854","0.0015","6.1864","0.0006","16.4143","0.0016","90","","102.642","0.001","90","","1583.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H16 Mn N O8 -","- C14.5 H16 Mn N O8 -","- C58 H64 Mn4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0562","0.0399","","","0.0936","0.1043","","","","","","1.118","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202157","15.9043","0.0013","6.1361","0.0005","16.1034","0.0014","90","","102.51","0.001","90","","1534.2","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H15 Co N O8 -","- C14.5 H15 Co N O8 -","- C58 H60 Co4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0546","0.0377","","","0.0812","0.0898","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202158","16.0396","0.0016","6.219","0.0006","16.2606","0.0017","90","","102.787","0.001","90","","1581.8","0.3","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H15 Mn N O8 -","- C14.5 H15 Mn N O8 -","- C58 H60 Mn4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0435","0.0342","","","0.083","0.0889","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202159","24.098","0.007","11.347","0.003","9.692","0.002","90","","99.173","0.007","90","","2616.3","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Cu N2 O10 -","- C29 H22 Cu N2 O10 -","- C116 H88 Cu4 N8 O40 -","4","0.5","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0683","0.0418","","","0.0846","0.0884","","","","","","0.992","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202160","11.2436","0.0012","15.2627","0.0016","13.0841","0.0014","90","","90","","90","","2245.3","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H10 N6 Na2 O14 Zn2 -","- C18 H10 N6 Na2 O14 Zn2 -","- C72 H40 N24 Na8 O56 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0619","0.0565","","","0.1262","0.1302","","","","","","1.11","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202161","10.72","0.003","15.228","0.005","13.331","0.004","90","","90","","90","","2176.2","1.1","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 Mn2 N6 O12 -","- C18 H6 K2 Mn2 N6 O12 -","- C72 H24 K8 Mn8 N24 O48 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0405","0.0337","","","0.0853","0.0874","","","","","","0.982","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202162","10.7037","0.001","15.064","0.0014","13.2866","0.0016","90","","90","","90","","2142.3","0.4","273","2","273","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 N6 O12 Zn2 -","- C18 H6 K2 N6 O12 Zn2 -","- C72 H24 K8 N24 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0285","0.0245","","","0.0648","0.068","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202163","9.3716","0.0017","13.332","0.003","18.101","0.003","90","","101.15","0.003","90","","2218.9","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Mn2 N8 O12 -","- C18 H14 Mn2 N8 O12 -","- C72 H56 Mn8 N32 O48 -","4","1","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.136","0.0674","","","0.1638","0.2008","","","","","","0.988","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202164","10.9117","0.0012","14.9509","0.0015","13.3255","0.0013","90","","90","","90","","2173.9","0.4","273","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H14 N8 O12 Zn2 -","- C18 H14 N8 O12 Zn2 -","- C72 H56 N32 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0859","0.0653","","","0.1506","0.1646","","","","","","1.075","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202165","9.5936","0.0017","13.01","0.002","18.569","0.003","90","","101.359","0.002","90","","2272.3","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Mn2 N6 Na2 O14 -","- C18 H10 Mn2 N6 Na2 O14 -","- C72 H40 Mn8 N24 Na8 O56 -","4","1","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0941","0.061","","","0.1517","0.1746","","","","","","1.045","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202166","7.511","0.0005","8.0199","0.0007","11.8111","0.0011","109.71","0.008","93.471","0.007","99.1","0.006","656.37","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dithioxamide-4,4'-bipyridyl (1/1)","dithioxamide-4,4'-bipyridyl (1/1)","","- C12 H12 N4 S2 -","- C12 H12 N4 S2 -","- C24 H24 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0443","0.0379","","","0.1065","0.1117","","","","","","1.092","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202167","7.3183","0.0007","9.4645","0.0012","11.4992","0.0011","66.91","0.011","89.531","0.008","84.021","0.009","728.22","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","4,4'-ethane-1,2-diyldipyridine - dithiooxamide (1/1)","4,4'-ethane-1,2-diyldipyridine - dithiooxamide (1/1)","","- C14 H16 N4 S2 -","- C14 H16 N4 S2 -","- C28 H32 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0558","0.0418","","","0.1079","0.1165","","","","","","1.052","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202168","7.255","0.0008","8.7786","0.0012","11.8824","0.0011","85.341","0.009","79.117","0.008","83.618","0.01","737.15","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","dithiooxamide - 2,7-diazapyrene (1/1)","dithiooxamide - 2,7-diazapyrene (1/1)","","- C16 H12 N4 S2 -","- C16 H12 N4 S2 -","- C32 H24 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0547","0.037","","","0.0964","0.1045","","","","","","1.075","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202169","15.7292","0.0007","6.0827","0.0003","12.5292","0.0007","90","","101.511","0.006","90","","1174.63","0.1","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1)","1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1)","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C32 H64 N16 S8 -","4","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0577","0.0442","","","0.1139","0.1256","","","","","","1.077","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202170","6.0414","0.0008","8.3514","0.0004","12.3639","0.0006","77.833","0.004","88.565","0.008","69.78","0.008","571.44","0.09","140","2","140","2","","","","","","","","4","P -1","-P 1","2","1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1)","1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1)","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C16 H32 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0506","0.0439","","","0.1307","0.1443","","","","","","1.152","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202171","9.7776","0.001","7.325","0.0007","17.6664","0.0013","90","","104.485","0.008","90","","1225.1","0.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane - dithiooxamide (1/1)","1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane - dithiooxamide (1/1)","","- C8 H16 N6 S2 -","- C8 H16 N6 S2 -","- C32 H64 N24 S8 -","4","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0309","0.0263","","","0.0733","0.0756","","","","","","1.105","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202172","10.7438","0.0009","10.022","0.0009","10.9457","0.001","90","","96.11","0.007","90","","1171.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dithiooxamide-1,10-phenanthroline (1/1)","dithiooxamide-1,10-phenanthroline (1/1)","","- C26 H20 N6 S2 -","- C26 H20 N6 S2 -","- C52 H40 N12 S4 -","2","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0575","0.0487","","","0.1359","0.1467","","","","","","1.122","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202173","21.8959","0.0006","13.8979","0.0003","13.7164","0.0003","90","","90","","90","","4174","0.17","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","phosphatocobalt(iii) Bipyridine-glycoluril complex","","","- C28 H24 Co N12 O10 P -","- C28 H24 Co N12 O10 P -","- C112 H96 Co4 N48 O40 P4 -","4","1","","Kumbhar, Avinash S.; Deshpande, Megha S.; Butcher, Raymond J.","Hydrogen bond directed open-framework of bis(bipyridine-glycoluril) phosphatocobalt(III) with solvent accessible void space","CrystEngComm","2008","10","11","1520","","10.1039/b806123h","","","0.71073","MoKα","","0.1042","0.0558","","","0.139","0.158","","","","","","0.926","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202175","28.581","0.002","6.16","0.0005","14.2146","0.0011","90","","97.441","0.001","90","","2481.5","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0486","0.0429","","","0.1016","0.1146","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202176","13.9729","0.0015","6.1709","0.0007","29.952","0.003","90","","94.452","0.002","90","","2574.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O4 -","- C31 H33 N O4 -","- C124 H132 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.1083","0.0662","","","0.1398","0.1632","","","","","","1.092","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202177","16.495","0.0013","6.2388","0.0005","26.4","0.002","90","","104.201","0.001","90","","2633.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0885","0.0692","","","0.1487","0.1606","","","","","","1.015","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202180","13.9955","0.001","24.0892","0.0019","21.0625","0.0016","90","","96.991","0.002","90","","7048.2","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 Ag4 Cu12 N68 O40 S2 -","- C90 H116 Ag4 Cu12 N68 O40 S2 -","- C180 H232 Ag8 Cu24 N136 O80 S4 -","2","0.5","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.1188","0.0754","","","0.1622","0.1841","","","","","","1.025","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202181","26.864","0.003","17.8115","0.0018","16.4104","0.0016","90","","121.659","0.002","90","","6683.7","1.2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Ag Cl3 Cu3 N12 O16 -","- C18 H28 Ag Cl3 Cu3 N12 O16 -","- C144 H224 Ag8 Cl24 Cu24 N96 O128 -","8","1","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.0489","0.0385","","","0.085","0.0896","","","","","","1.018","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202182","22.05","0.003","11.7652","0.0013","46.352","0.006","90","","94.643","0.002","90","","11985","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52.5 Cu6 N26.5 O14.5 S -","- C38 H52.5 Cu6 N26.5 O14.5 S -","- C304 H420 Cu48 N212 O116 S8 -","8","1","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.0919","0.0565","","","0.1317","0.1475","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202183","13.936","0.003","11.642","0.002","12.09","0.002","90","","108.27","0.03","90","","1862.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 Mg N2 O7.5 -","- C5 H9 Mg N2 O7.5 -","- C40 H72 Mg8 N16 O60 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Takeichi, Nobuhiko; Xu, Qiang","Observation of helical water chains reversibly inlayed in magnesium imidazole-4,5-dicarboxylate","CrystEngComm","2008","10","9","1175","","10.1039/b806210m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0852","0.0866","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202184","9.8622","0.0003","10.0043","0.0002","14.8619","0.0004","83.738","0.001","83.711","0.003","80.314","0.002","1430.58","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd2 N10 O8 -","- C28 H18 Cd2 N10 O8 -","- C56 H36 Cd4 N20 O16 -","2","1","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0591","0.0385","","","0.075","0.0774","","","","","","1.006","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202185","21.9618","0.0017","13.7136","0.0011","16.205","0.002","90","","128.842","0.001","90","","3801.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H52 Cd4 N12 O20 -","- C80 H52 Cd4 N12 O20 -","- C160 H104 Cd8 N24 O40 -","2","0.25","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0373","0.0336","","","0.0996","0.1043","","","","","","1.038","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202186","20.978","0.0003","13.1721","0.0002","16.6474","0.0004","90","","129.015","0.002","90","","3574.18","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 N12 O18 Zn4 -","- C80 H48 N12 O18 Zn4 -","- C160 H96 N24 O36 Zn8 -","2","0.25","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0701","0.0516","","","0.1248","0.129","","","","","","1.022","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202187","30.264","0.004","5.8069","0.0007","21.163","0.003","90","","112.15","0.001","90","","3444.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N6 O10 Zn3 -","- C36 H28 N6 O10 Zn3 -","- C144 H112 N24 O40 Zn12 -","4","0.5","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0596","0.0463","","","0.1063","0.1095","","","","","","1.045","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202188","16.0657","0.0011","16.0657","0.0011","7.772","0.0004","90","","90","","120","","1737.25","0.19","213","2","213","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","Copper(ii) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene","Copper(II) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene","","- C30 H24 Cu F N18 O3 P -","- C30 H24 Cu N18 O4 P -","- C60 H48 Cu2 N36 O8 P2 -","2","0.0833333","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0597","0.0472","","","0.1188","0.1231","","","","","","0.939","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202189","24.66","0.0018","15.8459","0.0008","7.7808","0.0005","90","","95.485","0.008","90","","3026.5","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(ii) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dihydrate","Copper(II) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate","","- C50 H44 Cu2 N34 O14 -","- C50 H40 Cu2 N34 O14 -","- C100 H80 Cu4 N68 O28 -","2","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0952","0.0467","","","0.1082","0.1151","","","","","","0.812","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202190","28.331","0.003","16.147","0.0012","7.176","0.0009","90","","90","","90","","3282.7","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Cl2 Cu N12 O12 -","- C20 H16 Cl2 Cu N12 O3 -","- C80 H64 Cl8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0471","0.037","","","0.0968","0.099","","","","","","1.013","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202191","28.449","0.003","15.7732","0.0017","7.2593","0.0007","90","","90","","90","","3257.5","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Br2 Cu N12 O12 -","- C20 H16 Br2 Cu N12 O3 -","- C80 H64 Br8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0963","0.074","","","0.1876","0.1989","","","","","","0.969","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202192","13.3427","0.0011","13.4047","0.0012","13.562","0.0012","102.339","0.002","104.369","0.001","90.477","0.001","2290.6","0.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","Dihydroxo Tetracopper(ii) Triflate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dodecahydrate","Dihydroxo Tetracopper(II) Triflate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C56 H66 Cu4 F18 N30 O32 S6 -","- C56 H50 Cu4 F18 N30 O32 S6 -","- C56 H50 Cu4 F18 N30 O32 S6 -","1","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0828","0.0657","","","0.1404","0.1449","","","","","","1.163","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202193","5.1275","0.0004","16.3726","0.0011","10.8005","0.0009","90","","99.531","0.01","90","","894.19","0.12","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dihydroxo Tricopper(ii) Sulfate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dihydrate","Dihydroxo Tricopper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate","","- C10 H14 Cu3 N6 O12 S2 -","- C10 H14 Cu3 N6 O12 S2 -","- C20 H28 Cu6 N12 O24 S4 -","2","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0276","0.0251","","","0.0718","0.0727","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202194","7.1442","0.0004","19.4387","0.0015","17.3114","0.0012","90","","90","","90","","2404.1","0.3","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Copper(ii) Sulfate Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Hexahydrate","Copper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Hexahydrate","","- C10 H20 Cu N6 O10 S -","- C10 H8 Cu N6 O10 S -","- C40 H32 Cu4 N24 O40 S4 -","4","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0557","0.0438","","","0.113","0.1171","","","","","","0.994","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202195","25.822","0.002","7.7119","0.0007","25.1892","0.0019","90","","90","","90","","5016.1","0.7","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","Tris(5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato) dicopper(ii) Chloride, Dodecahydrate","Tris[5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato] dicopper(II) Chloride, Dodecahydrate","","- C27 H42 Cl Cu2 N21 O12 -","- C28 H18 Cl Cu2 N20 O5 -","- C112 H72 Cl4 Cu8 N80 O20 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0612","0.0431","","","0.1226","0.1302","","","","","","1.047","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202198","7.9626","0.001","8.0241","0.001","8.1598","0.001","108.788","0.003","111.666","0.002","99.606","0.003","433.83","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H8 Cl3 N2 O2 Re0.5 -","- C3 H8 Cl3 N2 O2 Re0.5 -","- C6 H16 Cl6 N4 O4 Re -","2","1","","Martínez-Lillo, J.; Armentano, D.; De Munno, G.; Marino, N.; Lloret, F.; Julve, M.; Faus, J.","A self-assembled tetrameric water cluster stabilized by the hexachlororhenate(IV) anion and diprotonated 2,2′-biimidazole: X-ray structure and magnetic properties","CrystEngComm","2008","10","10","1284","","10.1039/b806729e","","","0.71073","MoKα","","0.0122","0.0122","","","0.0312","0.0312","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202199","44.405","0.003","10.6645","0.0007","17.5239","0.0012","90","","90","","90","","8298.6","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C34 H30 Cu2 I4 N2 O10 -","- C34 H30 Cu2 I4 N2 O10 -","- C272 H240 Cu16 I32 N16 O80 -","8","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0236","0.023","","","0.0584","0.0586","","","","","","1.123","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202200","10.391","0.003","11.641","0.003","13.688","0.003","76.709","0.009","79.697","0.009","67.849","0.008","1484.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Cu2 I4 O20 -","- C52 H64 Cu2 I4 O20 -","- C52 H64 Cu2 I4 O20 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0354","0.0272","","","0.0598","0.0634","","","","","","1.006","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202201","9.66","0.0019","10.26","0.002","12.929","0.009","92.82","0.04","103.47","0.04","117.75","0.03","1084.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cu2 I4 N4 O8 -","- C40 H40 Cu2 I4 N4 O8 -","- C40 H40 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0458","0.0336","","","0.0788","0.0844","","","","","","1.016","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202202","7.8103","0.0017","15.217","0.004","16.61","0.004","111.145","0.003","91.219","0.002","96.167","0.002","1826.7","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63.33 H42.67 Cl2.67 Cu3 I6 N4 O12 -","- C63.36 H42.72 Cl2.72 Cu3 I6 N4 O12 -","- C63.36 H42.72 Cl2.72 Cu3 I6 N4 O12 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.7848","synchrotron","","0.1564","0.1111","","","0.2689","0.3037","","","","","","1.051","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202203","9.8652","0.0004","14.8494","0.0006","15.1177","0.0006","60.804","0.0004","87.3393","0.0004","86.8946","0.0004","1929.93","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cu3 I6 N4 O14 -","- C76 H56 Cu3 I6 N4 O14 -","- C76 H56 Cu3 I6 N4 O14 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.7977","synchrotron","","0.0648","0.0569","","","0.1464","0.1532","","","","","","1.058","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202204","7.9727","0.0017","22.654","0.005","8.7259","0.0019","90","","105.636","0.002","90","","1517.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H28 Cu I2 N2 O5 -","- C33 H28 Cu I2 N2 O5 -","- C66 H56 Cu2 I4 N4 O10 -","2","1","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","synchrotron","","0.0573","0.0527","","","0.1336","0.1361","","","","","","1.077","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202205","13.3056","0.0007","12.9652","0.0007","23.8435","0.0013","90","","105.518","0.001","90","","3963.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 Cu3 I6 N6 O12 -","- C78 H60 Cu3 I6 N6 O12 -","- C156 H120 Cu6 I12 N12 O24 -","2","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","sYNCHROTRON","","0.0829","0.0521","","","0.1263","0.144","","","","","","1.021","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202206","9.4822","0.0009","16.0485","0.0014","8.9732","0.0008","90","","90","","90","","1365.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H9 Cu2 N10 Na -","- C7 H9 Cu2 N10 Na -","- C28 H36 Cu8 N40 Na4 -","4","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0343","0.0289","","","0.0765","0.08","","","","","","1.018","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202207","12.67","0.002","3.9209","0.0007","15.407","0.003","90","","100.995","0.003","90","","751.3","0.2","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 Cu4 N11 O -","- C7 H9 Cu4 N11 O -","- C14 H18 Cu8 N22 O2 -","2","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0304","0.0275","","","0.0773","0.0792","","","","","","1.057","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202208","5.2392","0.0005","8.8344","0.0009","11.552","0.0013","94.526","0.008","95.701","0.007","91.302","0.008","530.13","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6- dodecafluoro-1,8-diiodooctane","trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,8-diiodooctane","","- C16 H8 F12 I2 N4 -","- C16 H8 F12 I2 N4 -","- C16 H8 F12 I2 N4 -","1","0.5","","Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group","CrystEngComm","2008","10","9","1132","","10.1039/b806911e","","","0.71073","MoKα","","0.0325","0.0315","","","0.0807","0.0813","","","","","","1.121","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202209","5.2482","0.0007","8.6925","0.0014","13.289","0.002","84.316","0.007","86.245","0.007","88.241","0.008","601.79","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8- hexadecafluoro-1,8-diiodooctane","trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane","","- C18 H8 F16 I2 N4 -","- C18 H8 F16 I2 N4 -","- C18 H8 F16 I2 N4 -","1","0.5","","Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group","CrystEngComm","2008","10","9","1132","","10.1039/b806911e","","","0.71073","MoKα","","0.0278","0.0249","","","0.0628","0.0642","","","","","","1.067","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202210","16.106","0.003","16.126","0.003","19.511","0.004","90","","96.37","0.03","90","","5036.2","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N8 Zn2 -","- C28 H20 N8 Zn2 -","- C224 H160 N64 Zn16 -","8","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0936","0.0432","","","0.1158","0.1477","","","","","","0.998","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202211","9.118","0.002","12.765","0.003","13.366","0.003","66.445","0.004","72.416","0.004","80.184","0.004","1357.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20.67 Cd N8 O4.33 S -","- C28 H20 Cd N8 O4.33 S -","- C56 H40 Cd2 N16 O8.66 S2 -","2","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.056","0.0493","","","0.1117","0.1167","","","","","","1.107","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202212","12.899","0.003","19.526","0.004","25.889","0.005","90","","94.64","0.03","90","","6499","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H48 Cl2 Co2 N20 -","- C70 H48 Cl2 Co2 N20 -","- C280 H192 Cl8 Co8 N80 -","4","0.5","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.1804","0.0681","","","0.1614","0.233","","","","","","0.997","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202213","12.5026","0.0011","11.8042","0.0011","9.3038","0.0009","90","","99.637","0.002","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C48 H40 Co4 N16 O16 -","4","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0918","0.0627","","","0.1029","0.113","","","","","","1.087","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202214","7.334","0.0014","21.958","0.004","11.623","0.002","90","","97.677","0.004","90","","1855","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 O4 Zn -","- C22 H14 N4 O4 Zn -","- C88 H56 N16 O16 Zn4 -","4","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0514","0.0441","","","0.1057","0.1088","","","","","","0.981","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202215","7.5942","0.0014","7.3317","0.0013","12.113","0.002","90","","104.339","0.004","90","","653.4","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.1027","0.0792","","0.1568","0.1504","0.1504","","","","","","0.8061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202216","7.7185","0.0014","7.3248","0.0013","12.179","0.002","90","","103.884","0.004","90","","668.4","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.1311","0.0792","","0.1353","0.1261","0.1261","","","","","","0.7352","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202217","5.2948","0.0005","11.1107","0.0011","11.1385","0.0011","90","","90","","90","","655.27","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0337","0.0303","","0.067","0.0663","0.0663","","","","","","0.8822","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202218","5.26","0.002","11.201","0.005","11.275","0.005","90","","90","","90","","664.3","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0423","0.0323","","0.066","0.0643","0.0643","","","","","","0.8776","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202219","9.8788","0.0006","19.6459","0.0012","22.7918","0.0014","90","","101.545","0.001","90","","4333.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N24 O18 Pr -","- C24 H51 N24 O18 Pr -","- C96 H204 N96 O72 Pr4 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)","CrystEngComm","2008","10","9","1117","","10.1039/b807028h","","","0.71073","MoKα","","0.0773","0.0526","","","0.0996","0.1098","","","","","","1.033","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202220","9.9142","0.0003","13.6521","0.0005","16.9555","0.0006","78.682","0.001","76.376","0.001","77.859","0.001","2154.31","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Gd N24 O17 -","- C24 H41 Gd N24 O17 -","- C48 H82 Gd2 N48 O34 -","2","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)","CrystEngComm","2008","10","9","1117","","10.1039/b807028h","","","0.71073","MoKα","","0.0329","0.0307","","","0.0784","0.0802","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202221","9.4587","0.0013","9.4587","0.0013","21.123","0.004","90","","90","","90","","1889.8","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd3 N4 O14 -","- C14 H10 Cd3 N4 O14 -","- C56 H40 Cd12 N16 O56 -","4","0.5","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0622","0.0622","","","","","","1.27","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202222","10.391","0.003","16.868","0.005","11.273","0.003","90","","115.251","0.003","90","","1787.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cd2 N12 O5 -","- C12 H8 Cd2 N12 O5 -","- C48 H32 Cd8 N48 O20 -","4","1","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0379","0.0271","","","0.0622","0.0673","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202223","22.7592","0.0018","11.3409","0.0009","17.5006","0.0013","90","","113.104","0.001","90","","4154.8","0.6","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 Co4 N6 O16 -","- C40 H22 Co4 N6 O16 -","- C160 H88 Co16 N24 O64 -","4","0.5","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Batten, Stuart R.","Construction of coordination networks with high connectivity: a new 8-connected self-penetrating network based on tetranuclear metal clusters","CrystEngComm","2008","10","8","983","","10.1039/b807195k","","","0.71073","MoKα","","0.0301","0.0263","","","0.0662","0.0685","","","","","","1.04","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202224","22.536","0.003","11.3199","0.0013","17.57","0.002","90","","112.339","0.002","90","","4145.8","0.9","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 N6 O16 Zn4 -","- C40 H22 N6 O16 Zn4 -","- C160 H88 N24 O64 Zn16 -","4","0.5","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Batten, Stuart R.","Construction of coordination networks with high connectivity: a new 8-connected self-penetrating network based on tetranuclear metal clusters","CrystEngComm","2008","10","8","983","","10.1039/b807195k","","","0.71073","MoKα","","0.054","0.0379","","","0.0776","0.084","","","","","","1","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202227","12.086","0.0017","12.086","0.0017","12.0361","0.0019","90","","90","","90","","1758.1","0.4","173","","173","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H16 N2 O3.7 -","- C6 H15.404 N2 O3.702 -","- C48 H123.232 N16 O29.616 -","8","0.5","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0739","0.0563","","","0.1378","0.1534","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202228","21.822","0.004","6.2155","0.0016","10.7703","0.0018","90","","100.225","0.013","90","","1437.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N4 O2 -","- C12 H28 N4 O2 -","- C48 H112 N16 O8 -","4","0.5","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0819","0.0599","","","0.1293","0.138","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202229","12.5426","0.001","12.6014","0.0009","17.2689","0.0013","99.59","0.006","108.32","0.006","99.448","0.006","2485.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H24 N2 O6 -","- C6 H14 N2 O6 -","- C48 H112 N16 O48 -","8","4","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0718","0.0519","","","0.1201","0.1302","","","","","","1.038","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202230","19.486","0.003","19.486","0.003","21.706","0.004","90","","90","","90","","8242","2","294","2","294","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C64 H88 Ag4 Cl4 N8 O16 S8 -","- C64 H88 Ag4 Cl4 N8 O16 S8 -","- C256 H352 Ag16 Cl16 N32 O64 S32 -","4","0.25","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0976","0.064","","","0.1563","0.1809","","","","","","1.026","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202231","13.094","0.003","13.318","0.003","13.684","0.003","90","","93.81","0.03","90","","2381","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 N4 O6.5 S2 -","- C16 H22 Ag2 N4 O6.5 S2 -","- C64 H88 Ag8 N16 O26 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.1423","0.0857","","","0.2018","0.2368","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202232","15.712","0.0017","9.3505","0.001","18.7239","0.0019","90","","99.482","0.002","90","","2713.2","0.5","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H26 Ag3 N5 O9 S2 -","- C18 H26 Ag3 N5 O9 S2 -","- C72 H104 Ag12 N20 O36 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0233","0.0219","","","0.0492","0.0499","","","","","","1.063","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202233","10.375","0.003","10.831","0.003","15.816","0.004","72.764","0.004","77.914","0.004","84.734","0.005","1659","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H27 Ag2 Cl2 N5 O10 S2 -","- C25 H27 Ag2 Cl2 N5 O10 S2 -","- C50 H54 Ag4 Cl4 N10 O20 S4 -","2","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.1354","0.058","","","0.1224","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202234","8.256","0.003","14.494","0.006","13.663","0.005","90","","90","","90","","1634.9","1.1","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 Er N2 O11 -","- C14 H6 Ag3 Er N2 O11 -","- C56 H24 Ag12 Er4 N8 O44 -","4","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0355","0.0281","","","0.0648","0.0689","","","","","","1.065","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202235","8.794","0.002","9.856","0.002","15.258","0.003","90","","113","0.011","90","","1217.3","0.5","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H11 Ag3 Er N3 O13 -","- C21 H9 Ag3 Er N3 O13 -","- C42 H18 Ag6 Er2 N6 O26 -","2","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0401","0.036","","","0.0919","0.0949","","","","","","1.076","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202236","20.5787","0.001","20.5787","0.001","20.5787","0.001","90","","90","","90","","8714.7","0.7","180","2","180","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C12 H24 Cl4 Ga K O6 -","- C12 H24 Cl3.99997 Ga K O6 -","- C192 H384 Cl63.9996 Ga16 K16 O96 -","16","0.166667","","Kwok Chan, Wesley Ting; Eisler, Dana J.; Wright, Dominic S.","[{(18-crown-6)K}GaCl4]∞, a diamondoid structure templated by tetrahedral GaCl4− ions","CrystEngComm","2008","10","10","1315","","10.1039/b807523a","","","0.71073","MoKα","","0.065","0.0439","","","0.1004","0.1117","","","","","","1.1","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202239","10.534","0.002","12.936","0.003","17.191","0.003","90","","107.77","0.03","90","","2230.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0646","0.04","","","0.0917","0.1016","","","","","","1.032","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202240","10.399","0.002","15.132","0.003","14.28","0.003","90","","91.21","0.03","90","","2246.6","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7202241","17.448","0.003","8.498","0.002","15.511","0.003","90","","112.81","0.03","90","","2120","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.1024","0.0485","","","0.0946","0.1072","","","","","","0.93","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202242","8.193","0.002","8.538","0.002","15.437","0.003","90","","94.01","0.03","90","","1077.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0335","0.031","","","0.0812","0.0827","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202243","10.774","0.001","8.467","0.001","11.367","0.001","90","","91.65","0.01","90","","1036.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0555","0.0382","","","0.091","0.0959","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202244","11.0989","0.0013","11.7203","0.0014","13.9843","0.0016","74.993","0.002","84.548","0.002","89.545","0.002","1748.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H72 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","1","0.5","","Zhang, Li-Zhi; Gu, Wen; Dong, Zhili; Liu, Xin; Li, Bing","Phase transformation of a rare-earth Anderson polyoxometalate at low temperature","CrystEngComm","2008","10","10","1318","","10.1039/b808085b","","","0.71073","MoKα","","0.0539","0.0476","","","0.1293","0.1339","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202245","15.607","0.004","15.934","0.005","16.088","0.005","86.667","0.012","72.242","0.009","64.394","0.009","3423.3","1.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H72 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","- Cr4 H80 Mo24 O156 Tm4 -","2","1","","Zhang, Li-Zhi; Gu, Wen; Dong, Zhili; Liu, Xin; Li, Bing","Phase transformation of a rare-earth Anderson polyoxometalate at low temperature","CrystEngComm","2008","10","10","1318","","10.1039/b808085b","","","0.7107","MoKα","","0.0747","0.0434","","","0.1073","0.1265","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202246","13.293","0.0004","16.1758","0.0005","18.5027","0.0006","90","","90","","90","","3978.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C117.6 H176.8 Cl15.6 N10.8 O42.8 Zn8 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0656","0.0471","","","0.124","0.1321","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202247","11.9762","0.001","14.2223","0.0012","15.5903","0.0014","90","","90","","90","","2655.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cd2 O12.5 -","- C20 H24 Cd2 O12.5 -","- C80 H96 Cd8 O50 -","4","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0876","0.0495","","","0.0973","0.112","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202248","16.3499","0.0013","15.4909","0.0013","42.062","0.003","90","","90","","90","","10653.2","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H70 O18 S5 Zn3 -","- C41 H69 O18 S5 Zn3 -","- C328 H552 O144 S40 Zn24 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.8459","","","0.1216","0.0707","","","0.1879","0.2197","","","","","","1.037","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202249","10.47","0.003","13.926","0.003","10.476","0.003","90","","109.048","0.004","90","","1443.8","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 O12 Zn2 -","- C24 H38 O12 Zn2 -","- C48 H76 O24 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6904","Synchrotron","","0.0853","0.0711","","","0.1736","0.1813","","","","","","0.985","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202250","7.539","0.004","13.843","0.008","12.155","0.007","90","","90.19","0.009","90","","1268.5","1.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O11 Zn2 -","- C21 H27 O11 Zn2 -","- C42 H54 O22 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.846","Synchrotron","","0.1663","0.0872","","","0.1646","0.2006","","","","","","0.973","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202251","33.5656","0.0008","6.6676","0.0002","21.2236","0.0005","90","","126.742","0.001","90","","3806.26","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu4 N4 O18 S -","- C38 H22 Cu4 N4 O18 S -","- C152 H88 Cu16 N16 O72 S4 -","4","0.5","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0811","0.0606","","","0.1588","0.1718","","","","","","1.101","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202252","18.802","0.0017","8.5577","0.0008","16.0542","0.0016","90","","99.469","0.007","90","","2548","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","none","","","- C22 H18 Cu1.5 N2 O7.5 -","- C22 H17 Cu1.5 N2 O7.5 -","- C88 H68 Cu6 N8 O30 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.2326","0.0935","","","0.2151","0.2842","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202253","14.5","0.005","18.577","0.005","15.394","0.005","90","","103.97","0.03","90","","4024","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Cd2 N5 O17 -","- C32 H25 Cd2 N5 O17 -","- C128 H100 Cd8 N20 O68 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0743","0.0493","","","0.127","0.1871","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202254","7.666","0.002","11.987","0.003","13.808","0.004","82.236","0.004","88.974","0.004","86.329","0.004","1254.6","0.6","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 Cl N7 -","- C30 H17 Cl N7 -","- C60 H34 Cl2 N14 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.0846","0.0671","","","0.1744","0.1942","","","","","","1.002","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202255","4.1599","0.0015","25.278","0.009","19.84","0.007","90","","90.912","0.005","90","","2086","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl N5 -","- C25 H17 Cl N5 -","- C100 H68 Cl4 N20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.089","0.0465","","","0.0974","0.1097","","","","","","1.003","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202256","11.702","0.004","8.678","0.003","22.271","0.007","90","","113.082","0.015","90","","2080.6","1.2","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N6 -","- C24 H17 N6 -","- C96 H68 N24 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.0703","0.0587","","","0.1597","0.1705","","","","","","1.044","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202257","35.313","0.018","7.272","0.004","22.982","0.011","90","","124.01","0.03","90","","4892","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H18.5 Br N5.5 -","- C29 H17 Br N5.5 -","- C232 H136 Br8 N44 -","8","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.1968","0.0804","","","0.1234","0.1373","","","","","","1.024","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7202258","13.0505","0.0006","5.1175","0.0002","18.2405","0.0008","90","","94.243","0.002","90","","1214.87","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0439","0.0368","","","0.0924","0.098","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202259","7.0661","0.0004","7.4816","0.0005","8.0748","0.0005","67.837","0.004","72.069","0.004","74.951","0.004","371.12","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C16 H16 O6 -","1","0.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0576","0.0529","","","0.1498","0.1576","","","","","","1.099","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202260","17.5782","0.0002","9.9572","0.0001","8.6206","0.0001","90","","97.714","0.001","90","","1495.21","0.03","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0755","0.0417","","","0.0988","0.1137","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202261","7.9575","0.0001","6.923","0.0001","23.3344","0.0004","90","","107.667","0.001","90","","1224.86","0.03","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0733","0.0436","","","0.1136","0.1322","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202262","5.5518","0.0004","19.8748","0.0014","39.87","0.003","90","","90","","90","","4399.3","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 O6 S2 -","- C14 H12 O6 S2 -","- C168 H144 O72 S24 -","12","1.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0867","0.0519","","","0.1291","0.1566","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202263","6.7148","0.0003","16.6214","0.0006","27.1596","0.001","90","","90","","90","","3031.3","0.2","296","2","296","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C128 H128 O48 -","8","","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1064","0.0676","","","0.1917","0.2404","","","","","","1.158","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202264","4.9808","0.0003","10.8072","0.0008","12.2998","0.0008","68.554","0.004","79.21","0.004","80.026","0.004","601.36","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.047","0.0384","","","0.0966","0.102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202265","27.3847","0.001","6.7513","0.0003","8.0896","0.0003","90","","90.669","0.003","90","","1495.52","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1758","0.0678","","","0.1395","0.1796","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202266","21.765","0.004","13.122","0.003","16.206","0.003","90","","111.7","0.03","90","","4300.4","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cu Gd2 N2 O23 -","- C38 H32 Cu Gd2 N2 O22 -","- C152 H128 Cu4 Gd8 N8 O88 -","4","0.5","","Luo, Feng; Yang, Yu-ting; Che, Yun-xia; Zheng, Ji-min","Construction of Cu(II)‒Gd(III) metal‒organic framework by the introduction of a small amino acid molecule: hydrothermal synthesis, structure, thermostability, and magnetic studies","CrystEngComm","2008","10","11","1613","","10.1039/b808464e","","x-ray","0.71073","MoKα","","0.0348","0.0279","","","0.0545","0.0564","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202267","19.511","0.006","13.973","0.005","36.231","0.016","90","","90","","90","","9878","6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H23 Cu N2 O6 -","- C27 H23 Cu N2 O6 -","- C432 H368 Cu16 N32 O96 -","16","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.1989","0.0643","","","0.1413","0.1657","","","","","","0.849","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202268","13.993","0.003","19.661","0.004","36.141","0.008","90","","90","","90","","9943","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Co N2 O6 -","- C27 H22 Co N2 O6 -","- C432 H352 Co16 N32 O96 -","16","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.1744","0.086","","","0.2335","0.2739","","","","","","0.812","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202269","13.963","0.008","19.593","0.011","36.03","0.02","90","","90","","90","","9857","10","293","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C54 H48 N4 Ni2 O12 -","- C54 H48 N4 Ni2 O12 -","- C432 H384 N32 Ni16 O96 -","8","0.25","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.2175","0.0947","","","0.2449","0.271","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202270","16.653","0.001","13.4462","0.0005","19.299","0.001","90","","106.527","0.002","90","","4142.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cole02","","","- C78 H106 N4 O38 P4 -","- C78 H106 N4 O38 P4 -","- C156 H212 N8 O76 P8 -","2","1","","Suwinska, Kinga; Coleman, Anthony W.","Structure of the kanamycin‒calix[4]arene di-O-phosphonate salt","CrystEngComm","2008","10","10","1302","","10.1039/b808568d","","","0.71073","MoKα","","0.103","0.064","","","0.152","0.168","","","","","","0.95","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202271","6.9224","0.0002","12.8632","0.0004","16.8675","0.0005","102.906","0.001","91.912","0.001","94.362","0.001","1457.81","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Ag4 N2 O18 S2 -","- C20 H26 Ag4 N2 O18 S2 -","- C40 H52 Ag8 N4 O36 S4 -","2","1","","Wang, Yu-Ling; Liu, Qing-Yan; Xu, Li","Two novel luminescent silver(I) coordination polymers containing octanuclear silver cluster units or ligand unsupported Ag⋯Ag interactions constructed from 5-sulfoisophthalic acid (H3SIP) and organic amine","CrystEngComm","2008","10","11","1667","","10.1039/b808571d","","","0.71073","MoKα","","0.0437","0.0384","","","0.0994","0.1138","","","","","","1.017","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202272","18.3027","0.0005","11.4073","0.0001","13.7081","0.0004","90","","92.44","0.002","90","","2859.44","0.12","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 Ag2 N4 O9 S -","- C28 H24 Ag2 N4 O9 S -","- C112 H96 Ag8 N16 O36 S4 -","4","1","","Wang, Yu-Ling; Liu, Qing-Yan; Xu, Li","Two novel luminescent silver(I) coordination polymers containing octanuclear silver cluster units or ligand unsupported Ag⋯Ag interactions constructed from 5-sulfoisophthalic acid (H3SIP) and organic amine","CrystEngComm","2008","10","11","1667","","10.1039/b808571d","","","0.71073","MoKα","","0.1165","0.0662","","","0.1508","0.1864","","","","","","1.003","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202273","8.1806","0.0004","12.3357","0.0004","15.929","0.0008","73.757","0.003","83.508","0.002","83.782","0.003","1528.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Gd N4 O21 U2 -","- C18 H27 Gd N4 O21 U2 -","- C36 H54 Gd2 N8 O42 U4 -","2","1","","Thuéry, Pierre","The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands","CrystEngComm","2008","10","9","1126","","10.1039/b808611g","","","0.71073","MoKα","","0.0379","0.0318","","","0.0853","0.0875","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202274","8.1894","0.0008","12.3511","0.001","15.9186","0.0016","73.824","0.006","83.73","0.005","83.882","0.006","1532.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Eu N4 O21 U2 -","- C18 H27 Eu N4 O21 U2 -","- C36 H54 Eu2 N8 O42 U4 -","2","1","","Thuéry, Pierre","The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands","CrystEngComm","2008","10","9","1126","","10.1039/b808611g","","","0.71073","MoKα","","0.0475","0.0326","","","0.0688","0.0731","","","","","","1.008","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202275","7.0172","0.0014","10.343","0.002","15.516","0.003","90","","90","","90","","1126.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0715","0.0639","","","0.1207","0.1227","","","","","","1.329","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202276","13.3218","0.0014","5.7554","0.0006","24.093","0.003","90","","90.508","0.002","90","","1847.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis,cis-1,3,5-cyclohexanetricarboxylic acid - (4(3H)- pyrimidone)2","cis,cis-1,3,5-cyclohexanetricarboxylic acid - [4(3H)-pyrimidone]2","","- C17 H20 N4 O8 -","- C17 H20 N4 O8 -","- C68 H80 N16 O32 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0892","0.0533","","","0.1216","0.1394","","","","","","0.969","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202278","18.2141","0.0005","18.2141","0.0005","7.6303","0.0003","90","","90","","120","","2192.24","0.12","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C10 H19 N3 O3 S Sn -","- C10 H19 N3 O3 S Sn -","- C60 H114 N18 O18 S6 Sn6 -","6","0.5","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0378","0.0259","","","0.0529","0.055","","","","","","1.094","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202279","20.1191","0.0005","20.1191","0.0005","20.1191","0.0005","90","","90","","90","","8143.8","0.4","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C8 H15 N3 O2.5 S Sn -","- C8 H15 N3 O2.5 S Sn -","- C192 H360 N72 O60 S24 Sn24 -","24","1","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0399","0.0292","","","0.0613","0.063","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202280","7.5434","0.0008","18.575","0.002","16.7756","0.0019","90","","90","","90","","2350.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cinacalcet HCl acetic acid solvate","","","- C24 H27 Cl F3 N O2 -","- C24 H27 Cl F3 N O2 -","- C96 H108 Cl4 F12 N4 O8 -","4","1","","Braun, Doris E.; Kahlenberg, Volker; Gelbrich, Thomas; Ludescher, Johannes; Griesser, Ulrich J.","Solid state characterisation of four solvates of R-cinacalcet hydrochloride","CrystEngComm","2008","10","11","1617","","10.1039/b809219b","","","0.71073","MoKα","","0.0596","0.0458","","","0.0807","0.0845","","","","","","1.07","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202281","16.846","0.01","16.926","0.01","11.193","0.007","90","","90","","90","","3192","3","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C15 H13 N3 O4 Zn -","- C15 H13 N3 O4 Zn -","- C120 H104 N24 O32 Zn8 -","8","","","Brown, Kyalamboka A.; Martin, David P.; LaDuca, Robert L.","An acentric parallel interpenetrated dual-ligand zinc coordination polymer from an in situ terminal-to-internal alkene rearrangement","CrystEngComm","2008","10","10","1305","","10.1039/b809255a","","","0.71073","MoKα","","0.0604","0.0391","","","0.0982","0.1081","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202283","17.7258","0.0004","17.7258","0.0004","33.5699","0.0008","90","","90","","90","","10547.8","0.4","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C96.5 H142 Br N O24 -","- C96.5 H142 Br N O24 -","- C386 H568 Br4 N4 O96 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1359","0.0938","","","0.2376","0.2768","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202284","13.498","0.0003","13.36","0.0004","34.577","0.0005","90","","94.25","0.001","90","","6218.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H96 Br0.5 N0.5 O10.5 -","- C61.65 H94.25 Br0.5 N0.5 O10.5 -","- C246.6 H377 Br2 N2 O42 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","","0.71073","MoKα","","0.2361","0.1226","","","0.33","0.3972","","","","","","1.17","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202285","19.682","0.004","27.304","0.006","17.627","0.004","90","","90","","90","","9473","4","173","0.1","173","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H52 Br N O8.6 -","- C48 H52 Br N O8.6 -","- C384 H416 Br8 N8 O68.8 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1698","0.1256","","","0.2906","0.3151","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202286","12.851","0.003","14.534","0.003","20.177","0.004","106.64","0.03","98.21","0.03","99.87","0.03","3483.1","1.6","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Cl2 N4 O8 -","- C76 H86 Cl2 N4 O8 -","- C152 H172 Cl4 N8 O16 -","2","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.186","0.1145","","","0.2292","0.2668","","","","","","1.119","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202287","19.196","0.004","16.576","0.003","36.916","0.007","90","","90","","90","","11746","4","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H82 Br N O16 -","- C61 H82 Br N O16 -","- C488 H656 Br8 N8 O128 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1357","0.0818","","","0.1715","0.2018","","","","","","1.047","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202288","13.9181","0.0015","11.6269","0.0013","18.8112","0.0016","90","","116.025","0.006","90","","2735.4","0.5","213","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(((PymPO3(H))2Cu2(H2O)4)(SO3CF3)2.H2O)n","","","- C10 H20 Cu2 F6 N4 O18 P2 S2 -","- C10 H20 Cu2 F6 N4 O18 P2 S2 -","- C40 H80 Cu8 F24 N16 O72 P8 S8 -","4","1","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.053","0.0358","","","0.0812","0.0896","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202289","12.5436","0.0014","7.0918","0.0008","15.5908","0.0017","90","","90","","90","","1386.9","0.3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((PymPO)Zn(H2O))","","","- C8 H12 N4 O8 P2 Zn -","- C8 H12 N4 O8 P2 Zn -","- C32 H48 N16 O32 P8 Zn4 -","4","0.5","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.0572","0.034","","","0.0743","0.0847","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202290","10.7216","0.0005","31.7838","0.0013","59.5","0.002","90","","90","","90","","20276","1.4","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H46 N13 O16 Ru -","- C30 H46 N13 O16 Ru -","- C480 H736 N208 O256 Ru16 -","16","0.5","","Cui, Ying; Cao, Man-Li; Yang, Li-Fei; Niu, Yan-Li; Ye, Bao-Hui","Water nanotubes confined to nanochannels of a (10,3)-b net constructed by binary building blocks via the R22(9) synthon","CrystEngComm","2008","10","10","1288","","10.1039/b809511f","","","0.71073","MoKα","","0.1229","0.0754","","","0.218","0.2368","","","","","","1.024","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202291","30.011","0.01","6.584","0.002","18.263","0.007","90","","90.101","0.014","90","","3609","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Mn N3 O12 -","- C14 H13 Mn N3 O12 -","- C112 H104 Mn8 N24 O96 -","8","1","","Li, Wei; Ju, Zhan-Feng; Yao, Qing-Xia; Zhang, Jie","A novel two-dimensional homochiral manganese(II)-carboxylate coordination framework exhibiting field-induced spin-flop transition","CrystEngComm","2008","10","10","1325","","10.1039/b809627a","","","0.71073","MoKα","","0.0488","0.0414","","","0.1114","0.1175","","","","","","1.011","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202292","14.0102","0.0015","8.088","0.0009","15.8727","0.0017","90","","90","","90","","1798.6","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N2 O2 S2 -","- C5 H14 N2 O2 S2 -","- C40 H112 N16 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.7107","MoKα","","0.028","0.028","","","0.067","0.068","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202293","7.7299","0.0003","9.8682","0.0004","10.1834","0.0004","70.968","0.002","81.797","0.002","75.662","0.0018","709.83","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-aza-1-azoniabicyclo(2.2.2)octanium bis(ethanol)dithiocarbamate","","- C11 H23 N3 O2 S2 -","- C11 H23 N3 O2 S2 -","- C22 H46 N6 O4 S4 -","2","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.053","0.034","","","0.076","0.083","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202294","11.8425","0.0004","9.3648","0.0003","12.1634","0.0004","90","","106.823","0.002","90","","1291.22","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 N3 O S2 -","- C10 H21 N3 O S2 -","- C40 H84 N12 O4 S8 -","4","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.074","0.04","","","0.096","0.118","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202295","7.7319","0.0002","9.5151","0.0002","9.594","0.0002","84.292","0.001","77.195","0.001","85.278","0.001","683.54","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H23 N3 O S2 -","- C11 H23 N3 O S2 -","- C22 H46 N6 O2 S4 -","2","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.042","0.037","","","0.106","0.111","","","","","","1.18","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202296","14.4181","0.0004","8.1107","0.0002","19.0611","0.0005","90","","90","","90","","2229.02","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H16 N Na O5 S2 -","- C5 H16 N Na O5 S2 -","- C40 H128 N8 Na8 O40 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.039","0.029","","","0.064","0.068","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202297","26.8102","0.0015","5.8617","0.0002","14.8147","0.0005","90","","106.278","0.002","90","","2234.85","0.17","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 N Na O3 S2 -","- C6 H16 N Na O3 S2 -","- C48 H128 N8 Na8 O24 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.07","0.059","","","0.165","0.17","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202298","7.6968","0.0002","14.1288","0.0003","8.027","0.0001","90","","90","","90","","872.91","0.03","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Potassium bis(ethanol)dithiocarbamate","","- C5 H10 K N O2 S2 -","- C5 H10 K N O2 S2 -","- C20 H40 K4 N4 O8 S8 -","4","0.5","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.029","0.027","","","0.067","0.068","","","","","","1.31","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202299","16.0465","0.0004","14.2446","0.0003","8.4274","0.0002","90","","90","","90","","1926.3","0.08","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cesium bis(ethanol)dithiocarbamate","","- C5 H10 Cs N O2 S2 -","- C5 H10 Cs N O2 S2 -","- C40 H80 Cs8 N8 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.023","0.018","","","0.042","0.044","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202300","9.8941","0.0007","9.8941","0.0007","9.8941","0.0007","90","","90","","90","","968.57","0.12","123","2","123","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H9 Co N4 O4.5 -","- C5.94 H8.94 Co N3.96 O4.47 -","- C23.76 H35.76 Co4 N15.84 O17.88 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.03","0.0282","","","0.0701","0.0721","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202301","10.2304","0.0004","10.2304","0.0004","10.2304","0.0004","90","","90","","90","","1070.72","0.07","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H8 Mn N4 O4.5 -","- C5.97 H8.05 Mn N3.97 O4.46 -","- C23.88 H32.2 Mn4 N15.88 O17.84 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.0934","0.0905","","","0.2513","0.2546","","","","","","1.208","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202302","14.3295","0.0006","14.3295","0.0006","10.0523","0.0008","90","","90","","120","","1787.55","0.18","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H9.2 Mn N4 O6.6 -","- C4 H9.2 Mn N4 O6.6 -","- C24 H55.2 Mn6 N24 O39.6 -","6","1","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.049","0.0478","","","0.1314","0.1324","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202303","7.8421","0.0002","13.4343","0.0004","12.8692","0.0005","90","","92.665","0.002","90","","1354.34","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl4 Co N4 -","- C6 H10 Cl4 Co N4 -","- C24 H40 Cl16 Co4 N16 -","4","0.5","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.1055","0.0998","","","0.2077","0.2155","","","","","","1.308","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202304","7.8266","0.0002","13.4366","0.0004","12.8885","0.0003","90","","92.705","0.002","90","","1353.88","0.06","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl4 N4 Zn -","- C6 H10 Cl4 N4 Zn -","- C24 H40 Cl16 N16 Zn4 -","4","0.5","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.0649","0.0568","","","0.1384","0.1448","","","","","","1.179","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202305","7.5859","0.0019","13.524","0.003","12.804","0.003","90","","93.434","0.005","90","","1311.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl4 N4 Zn -","- C6 H10 Cl4 N4 Zn -","- C24 H40 Cl16 N16 Zn4 -","4","1","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.1332","0.0496","","","0.0802","0.1006","","","","","","0.972","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202306","7.7538","0.0002","11.7092","0.0005","14.7529","0.0007","85.756","0.002","89.684","0.002","86.998","0.002","1333.92","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl4 Cu N4 -","- C6 H10 Cl4 Cu N4 -","- C24 H40 Cl16 Cu4 N16 -","4","2","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.202","0.106","","","0.1596","0.1949","","","","","","1.089","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202307","7.7642","0.0005","11.3537","0.0007","14.8141","0.0009","85.153","0.011","88.936","0.011","86.47","0.011","1298.64","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl4 Cu N4 -","- C6 H10 Cl4 Cu N4 -","- C24 H40 Cl16 Cu4 N16 -","4","2","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.0645","0.0366","","","0.0698","0.0768","","","","","","1.026","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202308","6.3682","0.0013","14.511","0.003","17.457","0.004","90","","90","","90","","1613.2","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0607","0.0521","","","0.1277","0.1334","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202309","6.3709","0.0013","14.513","0.003","17.445","0.004","90","","90","","90","","1613","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0474","0.037","","","0.0912","0.0968","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202310","6.1388","0.0005","10.6194","0.0005","12.8861","0.0009","105.398","0.004","101.879","0.003","98.163","0.005","775.14","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis((RS)-1-phenylethylammonium) 26-naphthalenedicarboxylate","bis((RS)-1-phenylethylammonium) 26-naphthalenedicarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0386","0.0349","","","0.094","0.0972","","","","","","1.037","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202311","9.6633","0.0004","6.3731","0.0003","19.721","0.0007","90","","96.041","0.002","90","","1207.78","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0412","0.0329","","","0.0813","0.0881","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202312","9.6656","0.0012","6.3707","0.0009","19.708","0.002","90","","96.025","0.007","90","","1206.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.1241","0.0579","","","0.0942","0.1167","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202313","6.1211","0.0005","9.6478","0.0008","10.5813","0.0011","94.483","0.004","98.503","0.004","103.126","0.005","597.8","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis((RS)-1-phenylethylammonium) naphthalenedicarboxylate","bis((RS)-1-phenylethylammonium) naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","1","0.5","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0822","0.0504","","","0.1051","0.1192","","","","","","1.052","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202314","16.666","0.0007","16.666","0.0007","38.157","0.004","90","","90","","120","","9178.4","1.1","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","tris(4-(3-pyridyl)phenylester)cyclotriguaiacylene","tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene","","- C62.5 H47.5 Cl7.5 N3 O9 -","- C62.49 H46.99 Cl7.5 N3 O9 -","- C374.94 H281.94 Cl45 N18 O54 -","6","0.333333","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1068","0.0695","","","0.1888","0.231","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202315","16.1966","0.0004","16.1966","0.0004","34.0682","0.0019","90","","90","","120","","7739.8","0.5","150","2","150","2","","","","","","","","8","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3-pyridyl)phenylester) cyclotriguaiacylene)-trisilver(i) tetrafluoroborate acetonitrile clathrate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester) cyclotriguaiacylene)- trisilver(I) tetrafluoroborate acetonitrile clathrate","","- C132 H108 Ag3 B2 Cl F8 N12 O18 -","- C131.96 H90 Ag3 Cl N12 O18 -","- C263.92 H180 Ag6 Cl2 N24 O36 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.129","0.0892","","","0.2991","0.3413","","","","","","1.319","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202316","15.7496","0.0002","15.7496","0.0002","35.0891","0.0011","90","","90","","120","","7537.8","0.3","150","2","150","2","","","","","","","","8","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3- pyridyl)phenylester)cyclotriguaiacylene)-trisilver(i) hexafluoroarsenate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene)- trisilver(I) hexafluoroarsenate","","- C126 H99 Ag3 As2 Cl F12 N9 O18 -","- C126 H90 Ag3 As1.99 Cl N9 O18 -","- C252 H180 Ag6 As3.98 Cl2 N18 O36 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1204","0.0959","","","0.263","0.2816","","","","","","1.115","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202317","16.247","0.0006","16.247","0.0006","34.382","0.003","90","","90","","120","","7859.7","0.8","150","2","150","2","","","","","","","","6","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3- pyridyl)phenylester)cyclotriguaiacylene)-trisilver(i) perchlorate acetonitrile clathrate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene)- trisilver(I) perchlorate acetonitrile clathrate","","- C128 H102 Ag3 Cl3 N10 O26 -","- C128 H90 Ag3 Cl2 N10 O22 -","- C256 H180 Ag6 Cl4 N20 O44 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1031","0.0641","","","0.1805","0.1986","","","","","","1.087","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202318","23.155","0.008","24.935","0.008","8.302","0.003","90","","90","","90","","4793","3","294","2","294","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Cd N18 -","- C46 H44 Cd N18 -","- C184 H176 Cd4 N72 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1242","0.0681","","","0.1419","0.1728","","","","","","1.054","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202319","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H45 Mn N18 O0.5 -","- C46 H45 Mn N18 O0.5 -","- C184 H180 Mn4 N72 O2 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1668","0.1278","","","0.3078","0.3484","","","","","","1.199","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202320","24.893","0.002","24.682","0.002","8.1486","0.0007","90","","90","","90","","5006.6","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H48 N18 Ni O2 -","- C46 H44 N18 Ni O2 -","- C184 H176 N72 Ni4 O8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1739","0.0599","","","0.1419","0.1932","","","","","","0.957","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202321","23.791","0.004","24.236","0.004","8.1907","0.0013","90","","90","","90","","4722.7","1.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C44.34 H44 Cu N16.34 O2.5 -","- C44.336 H44 Cu N16.336 O2.496 -","- C177.344 H176 Cu4 N65.344 O9.984 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0975","0.0739","","","0.2236","0.2488","","","","","","1.146","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202322","14.4057","0.001","25.3367","0.0015","17.6104","0.001","90","","101.307","0.001","90","","6302.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 N15 O5 Zn -","- C48 H56 N15 O5 Zn -","- C192 H224 N60 O20 Zn4 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0914","0.0793","","","0.2876","0.3161","","","","","","1.019","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202323","10.2047","0.0009","11.3457","0.0009","11.5102","0.001","89.299","0.001","77.705","0.001","82.604","0.001","1291.09","0.19","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","1","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0727","0.0575","","","0.15","0.1643","","","","","","1.051","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202324","16.546","0.004","24.142","0.005","25.043","0.006","90","","90","","90","","10004","4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H44 Cd N14 S2 -","- C44 H44 Cd N14 S2 -","- C352 H352 Cd8 N112 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1387","0.0627","","","0.1776","0.2453","","","","","","0.986","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202325","24.758","0.002","24.387","0.002","8.2917","0.0007","90","","90","","90","","5006.3","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H44 Co N14 S2 -","- C44 H44 Co N14 S2 -","- C176 H176 Co4 N56 S8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1179","0.0711","","","0.215","0.2366","","","","","","1.021","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202326","24.263","0.005","16.387","0.004","24.45","0.005","90","","90","","90","","9721","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cu N14 O2 S2 -","- C44 H44 Cu N14 O2 S2 -","- C352 H352 Cu8 N112 O16 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1126","0.0592","","","0.1674","0.2082","","","","","","1.035","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202327","23.637","0.007","25.067","0.007","8.195","0.002","90","","90","","90","","4856","2","294","2","294","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H44 Cd N16.17 O2.74 -","- C42 H44 Cd N16.172 O2.742 -","- C168 H176 Cd4 N64.688 O10.968 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1018","0.0755","","","0.2146","0.2425","","","","","","1.065","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202328","23.955","0.016","24.334","0.016","8.163","0.006","90","","90","","90","","4758","6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H46 Cu N14 O7 -","- C42 H46 Cu N14 O7 -","- C168 H184 Cu4 N56 O28 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1117","0.0789","","","0.2333","0.2679","","","","","","1.038","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202329","12.6199","0.001","7.8969","0.0006","25.17","0.0017","90","","106.632","0.003","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H44 Cd Cl2 N12 -","- C42 H44 Cd Cl2 N12 -","- C84 H88 Cd2 Cl4 N24 -","2","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0582","0.0483","","","0.1896","0.2007","","","","","","1.304","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202330","16.893","0.014","16.155","0.013","20.514","0.017","90","","110.628","0.008","90","","5239","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49.5 Cd2 N7.5 O13.5 -","- C42 H42.5 Cd2 N7.5 O13.5 -","- C168 H170 Cd8 N30 O54 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.148","0.1195","","","0.3122","0.3318","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202331","28.816","0.006","14.33","0.003","21.034","0.005","90","","90","","90","","8686","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33.5 H41.5 Cd N7.5 O8 -","- C33.5 H38.5 Cd N7.5 O8 -","- C268 H308 Cd8 N60 O64 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0654","0.0524","","","0.1742","0.188","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202332","11.414","0.004","16.924","0.005","23.486","0.007","90","","99.533","0.004","90","","4474","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44.5 N7 Ni O8.75 -","- C38 H44.5 N7 Ni O8.75 -","- C152 H178 N28 Ni4 O35 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1265","0.072","","","0.1972","0.228","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202333","10.9672","0.0012","10.8989","0.0012","39.656","0.004","90","","93.294","0.001","90","","4732.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N6 O9 Zn2 -","- C37 H30 N6 O9 Zn2 -","- C148 H120 N24 O36 Zn8 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1134","0.0755","","","0.2185","0.2426","","","","","","1.065","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202334","13.6564","0.0004","13.6564","0.0004","6.1296","0.0002","90","","90","","120","","990","0.05","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","1","0.166667","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0718","0.055","","","0.1766","0.1851","","","","","","1.107","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202335","5.8754","0.0002","13.367","0.0003","14.6338","0.0004","114.664","0.002","99.732","0.001","95.8","0.001","1010.34","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl2 Cu N6 O16 -","- C36 H40 Cl2 Cu N6 O16 -","- C36 H40 Cl2 Cu N6 O16 -","1","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0763","0.0464","","","0.1262","0.1358","","","","","","0.973","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202336","9.9989","0.0001","23.927","0.0003","15.182","0.0003","90","","91.3545","0.0005","90","","3631.18","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Mn N6 O6 -","- C84 H76 B2 Mn N6 O6 -","- C168 H152 B4 Mn2 N12 O12 -","2","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.1027","0.0398","","","0.0907","0.1028","","","","","","0.909","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202337","9.7203","0.0001","25.4382","0.0004","14.571","0.0002","90","","93.702","0.001","90","","3595.41","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Co N6 O6 -","- C84 H76 B2 Co N6 O6 -","- C168 H152 B4 Co2 N12 O12 -","2","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0847","0.0391","","","0.09","0.0995","","","","","","0.959","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202338","29.612","0.002","16.8947","0.0007","19.6973","0.0015","90","","114.532","0.003","90","","8964.7","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H45 Cl2 Co N4 O12.5 -","- C36 H28 Cl2 Co N4 O12.5 -","- C288 H224 Cl16 Co8 N32 O100 -","8","2","","Yao, Qing-Xia; Ju, Zhan-Feng; Li, Wei; Wu, Wei; Zheng, Shou-Tian; Zhang, Jie","Unprecedented 3D polycatenation based on ribbons of rings found in two metallosupramolecular polymers whose open frameworks show reversible collapse upon de- and rehydration","CrystEngComm","2008","10","10","1299","","10.1039/b810523p","","","0.71073","MoKα","","0.1039","0.0885","","","0.2488","0.2731","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202339","9.3502","0.0006","12.0861","0.0008","13.0114","0.0008","85.508","0.001","80.521","0.001","72.623","0.001","1383.45","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag Cl2 N8 O5 -","- C26 H23 Ag Cl2 N8 O5 -","- C52 H46 Ag2 Cl4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0258","0.0246","","","0.0598","0.0605","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202340","9.5477","0.0005","12.3303","0.0006","12.8922","0.0007","84.597","0.001","79.376","0.001","71.709","0.001","1415.29","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag Br2 N8 O5 -","- C26 H23 Ag Br2 N8 O5 -","- C52 H46 Ag2 Br4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0229","0.0212","","","0.0542","0.055","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202341","13.276","0.001","15.0546","0.0012","17.5415","0.0014","107.806","0.001","105.093","0.001","106.984","0.001","2947.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag I2 N8 O5 -","- C26 H23 Ag I2 N8 O5 -","- C104 H92 Ag4 I8 N32 O20 -","4","2","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.056","0.0379","","","0.0793","0.0863","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202342","10.3793","0.0009","11.5395","0.001","12.498","0.0011","95.354","0.001","101.583","0.001","112.409","0.001","1331.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag F2 N8 O5 -","- C26 H23 Ag F2 N8 O5 -","- C52 H46 Ag2 F4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0308","0.0278","","","0.067","0.0684","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202343","16.6486","0.0016","10.3266","0.001","32.967","0.003","90","","90.225","0.002","90","","5667.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H49 Ag2 F4 N17 O10 -","- C54 H49 Ag2 F4 N17 O10 -","- C216 H196 Ag8 F16 N68 O40 -","4","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0934","0.0672","","","0.1253","0.1336","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202344","19.4555","0.0012","25.7212","0.0016","10.2172","0.0006","90","","102.625","0.001","90","","4989.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H47 Ag2 N15 O10 -","- C50 H47 Ag2 N15 O10 -","- C200 H188 Ag8 N60 O40 -","4","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0378","0.0307","","","0.0742","0.0787","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202345","9.7667","0.0017","12.505","0.002","12.752","0.002","83.684","0.003","78.689","0.003","70.921","0.002","1441.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.09 I0.91 N8 O5 -","- C26 H23 Ag Br1.09 I0.91 N8 O5 -","- C52 H46 Ag2 Br2.18 I1.82 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0718","0.0555","","","0.1412","0.1577","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202346","9.6987","0.0007","12.4579","0.0009","12.7686","0.0009","84.01","0.001","78.78","0.001","71.024","0.001","1429.64","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.46 I0.54 N8 O5 -","- C26 H23 Ag Br1.481 I0.519 N8 O5 -","- C52 H46 Ag2 Br2.962 I1.038 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0359","0.0283","","","0.0643","0.067","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202347","9.5811","0.0009","12.3598","0.0012","12.8807","0.0013","84.463","0.002","79.304","0.002","71.599","0.002","1421","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.94 I0.06 N8 O5 -","- C26 H23 Ag Br1.937 I0.063 N8 O5 -","- C52 H46 Ag2 Br3.874 I0.126 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0375","0.0289","","","0.0669","0.0701","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202348","10.847","0.002","11.107","0.002","11.483","0.002","82.93","0.03","63.02","0.03","62.12","0.03","1082.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H26 Co2 O20 -","- C10 H26 Co2 O20 -","- C20 H52 Co4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Well-resolved unusual alternating cyclic water tetramers embedded in a crystal host","CrystEngComm","2008","10","12","1743","","10.1039/b810605c","","x-ray","0.7293","synchrotron","","0.0337","0.0324","","","0.0965","0.0987","","","","","","1.075","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202349","6.1375","0.0006","15.5472","0.0015","25.751","0.003","90","","90","","90","","2457.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3beta-hydroxypregn-5-en-20-one+4iodophenol cocrystal","3β-hydroxypregn-5-en-20-one+4iodophenol cocrystal","","- C27 H37 I O3 -","- C27 H37 I O3 -","- C108 H148 I4 O12 -","4","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0247","0.0236","","","0.0537","0.0542","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202350","12.211","0.005","6.166","0.002","17.398","0.007","90","","102.607","0.007","90","","1278.4","0.8","298","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","3beta-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","3β-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","","- C27 H35 Cl3 O3 -","- C27 H28 Cl3 O3 -","- C54 H56 Cl6 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.2232","0.1066","","","0.2241","0.2848","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202351","6.3022","0.0004","10.2952","0.0006","41.964","0.003","90","","91.032","0.001","90","","2722.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cholesterol-4iodophenol(2:1) cocrystal","Cholesterol-4iodophenol(2:1) cocrystal","","- C60 H97 I O3 -","- C60 H92 I O3 -","- C120 H184 I2 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0477","0.0438","","","0.1011","0.103","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202352","8.6899","0.001","7.2501","0.0009","18.504","0.002","90","","92.506","0.002","90","","1164.7","0.2","298","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine + Zidovudine hydrate","Lamivudine + Zidovudine hydrate","","- C18 H26 N8 O8 S -","- C18 H26 N8 O8 S -","- C36 H52 N16 O16 S2 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0408","0.0374","","","0.0965","0.0993","","","","","","1.034","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202353","9.6984","0.0006","13.2334","0.0009","13.7678","0.0009","103.273","0.002","109.719","0.002","95.579","0.002","1589.25","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","bis(5-chloro-2-methylisothiazol-3(2H)-one)silver(i) perchlorate","","","- C16 H16 Ag2 Cl6 N4 O12 S4 -","- C16 H16 Ag2 Cl6 N4 O12 S4 -","- C32 H32 Ag4 Cl12 N8 O24 S8 -","2","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0874","0.0576","","","0.1172","0.1304","","","","","","1.015","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202354","9.4051","0.0008","10.6733","0.001","10.0219","0.0009","90","","97.482","0.002","90","","997.47","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(2-methylisothiazol-3(2H)-one)silver(i) nitrate","","","- C4 H5 Ag2 N3 O7 S -","- C4 H5 Ag2 N3 O7 S -","- C16 H20 Ag8 N12 O28 S4 -","4","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0499","0.0392","","","0.0768","0.0803","","","","","","1.078","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202355","14.0018","0.001","21.6139","0.0015","9.7482","0.0007","90","","110.892","0.002","90","","2756.2","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","bis(2-methylisothiazol-3(2H)-one)silver(i) perchlorate","","","- C8 H10 Ag Cl N2 O6 S2 -","- C8 H10 Ag Cl N2 O6 S2 -","- C64 H80 Ag8 Cl8 N16 O48 S16 -","8","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0666","0.0575","","","0.1375","0.1433","","","","","","1.053","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202356","14.633","0.003","22.429","0.005","10.935","0.002","90","","116.46","0.03","90","","3213","1.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","bis(2-methylisothiazol-3(2H)-one)silver(i) hexafluoroantimonate","","","- C8 H10 Ag F6 N2 O2 S2 Sb -","- C8 H5 Ag F6 N2 O2 S2 Sb -","- C64 H40 Ag8 F48 N16 O16 S16 Sb8 -","8","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.062","0.0492","","","0.1214","0.1284","","","","","","1.078","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202357","9.3344","0.0006","11.822","0.003","4.7387","0.0003","90","","90","","90","","522.92","0.14","293","","293","","","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0531","0.0408","","0.0427","0.0411","0.0427","","","","","","1.0694","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202358","9.3563","0.0006","11.443","0.002","4.6166","0.0003","90","","90","","90","","494.27","0.1","293","","293","","","","2600000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0517","0.0419","","0.0497","0.0478","0.0497","","","","","","0.9923","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202359","9.3706","0.0006","11.204","0.002","4.5341","0.0003","90","","90","","90","","476.03","0.1","293","","293","","","","3700000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","Synchrotron","","0.0546","0.0418","","0.0781","0.0947","0.07813","","","","","","1.559","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202360","9.3701","0.0014","11.1831","0.001","4.52938","0.00059","90","","90","","90","","474.62","0.1","298","","298","","3805000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.121","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202361","9.3728","0.0005","11.0359","0.0017","4.4782","0.0003","90","","90","","90","","463.21","0.08","293","","293","","","","4500000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0465","0.0381","","0.0436","0.0421","0.0436","","","","","","0.8385","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202362","9.8778","0.0013","10.155","0.004","4.4175","0.0007","90","","90","","90","","443.1","0.2","293","","293","","","","5200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.1128","0.0718","","0.111","0.1032","0.111","","","","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202363","9.8641","0.0014","10.0991","0.00093","4.3986","0.00065","90","","90","","90","","438.18","0.1","298","","298","","5810000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.211","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202364","30.328","0.006","7.3131","0.0015","15.67","0.003","90","","118.22","0.03","90","","3062.4","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 B2 F8 N12 O -","- C24 H24 Ag2 B2 F8 N12 O -","- C96 H96 Ag8 B8 F32 N48 O4 -","4","0.5","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0871","0.0629","","","0.1412","0.1549","","","","","","1.005","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202365","8.4723","0.0017","9.6587","0.0019","21.283","0.004","90","","90","","90","","1741.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag2 N8 O6 -","- C12 H12 Ag2 N8 O6 -","- C48 H48 Ag8 N32 O24 -","4","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0457","0.0352","","","0.0541","0.0562","","","","","","1.104","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202366","4.4484","0.0009","7.2739","0.0015","12.024","0.002","84.31","0.03","87.7","0.03","81.05","0.03","382.31","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag N7 O3 -","- C12 H12 Ag N7 O3 -","- C12 H12 Ag N7 O3 -","1","0.5","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0613","0.0423","","","0.0895","0.0965","","","","","","1.089","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202367","35.56","0.008","25.36","0.01","24.868","0.005","90","","90","","90","","22426","11","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C576 H672 Ag48 F144 N288 O56 Si24 -","4","0.25","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.2648","0.1471","","","0.3549","0.4502","","","","","","1.429","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202368","11.825","0.002","13.982","0.003","17.485","0.004","72.81","0.03","71.67","0.03","75.76","0.03","2584.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H46 Ag2 N14 O7 -","- C56 H44 Ag2 N14 O7 -","- C112 H88 Ag4 N28 O14 -","2","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0928","0.0582","","","0.1294","0.1448","","","","","","1.017","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202369","7.8598","0.0016","23.614","0.005","15.059","0.003","90","","99.26","0.03","90","","2758.5","1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124 H88 Ag4 N20 O16 -","- C124 H88 Ag4 N20 O15.96 -","- C124 H88 Ag4 N20 O15.96 -","1","0.125","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0987","0.0844","","","0.2106","0.2238","","","","","","1.13","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202370","15.154","0.009","11.571","0.007","8.027","0.005","90","","111.637","0.01","90","","1308.3","1.4","300","2","300","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C56 H32 S16 -","4","1","","Brillante, Aldo; Bilotti, Ivano; Della Valle, Raffaele Guido; Venuti, Elisabetta; Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco; Lazar, Adina Nicoleta; Biscarini, Fabio; Mas-Torrent, Marta; Oxtoby, Neil S.; Crivillers, Nuria; Veciana, Jaume; Rovira, Concepció; Leufgen, Michael; Schmidt, Georg; Molenkamp, Laurens W.","The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene","CrystEngComm","2008","10","12","1899","","10.1039/b810993a","","","0.71073","MoKα","","0.0786","0.0553","","","0.1242","0.1343","","","","","","0.943","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202371","20.684","0.002","10.3021","0.001","19.5142","0.001","90","","109.332","0.001","90","","3923.8","0.6","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 O5 -","- C53 H41 O5 -","- C212 H164 O20 -","4","1","","Kuroda, Reiko; Sato, Tomohiro; Imai, Yoshitane","Varied charge-transfer complex crystals formed between diols and benzoquinone in the solid and solution states","CrystEngComm","2008","10","12","1881","","10.1039/b811141c","","","0.71073","MoKα","","0.1041","0.0484","","","0.0947","0.1068","","","","","","0.906","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202372","6.7679","0.0002","8.6829","0.0004","14.9689","0.0005","90","","100.679","0.002","90","","864.41","0.06","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Cl N3 -","- C7 H14 Cl N3 -","- C28 H56 Cl4 N12 -","4","1","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0375","0.0331","","","0.083","0.0865","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202373","6.8903","0.0003","8.803","0.0004","15.1958","0.0008","90","","99.411","0.002","90","","909.3","0.07","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C28 H56 Br4 N12 -","4","1","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0726","0.0493","","","0.1053","0.1144","","","","","","1.151","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202374","9.6479","0.0001","9.6479","0.0001","27.5887","0.0003","90","","90","","90","","2568.01","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C31 H34 B N3 -","- C31 H34 B N3 -","- C124 H136 B4 N12 -","4","0.5","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0566","0.0542","","","0.1361","0.1387","","","","","","1.04","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202375","13.5414","0.0005","13.5232","0.0005","16.1341","0.0005","90","","101.462","0.002","90","","2895.6","0.18","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Cl N3 -","- C5 H10 Cl N3 -","- C80 H160 Cl16 N48 -","16","4","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0849","0.0484","","","0.101","0.1155","","","","","","1.054","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202376","9.6584","0.0006","11.3064","0.0007","13.3168","0.0008","69.157","0.001","84.663","0.001","78.634","0.001","1331.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis adenine copper complex","","","- C21 H29 Cl2 Cu N10 O2 -","- C21 H29 Cl2 Cu N10 O2 -","- C42 H58 Cl4 Cu2 N20 O4 -","2","1","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0998","0.068","","","0.1767","0.2664","","","","","","1.148","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202377","8.7535","0.0014","13.673","0.002","43.743","0.007","90","","90","","90","","5235.5","1.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","Bisadenine silver complex","","","- C19 H26 Ag N11 O6 -","- C19 H26 Ag N11 O6 -","- C152 H208 Ag8 N88 O48 -","8","0.5","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0897","0.0728","","","0.2114","0.2372","","","","","","1.046","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202378","14.566","0.003","7.4368","0.0014","6.2542","0.0012","90","","96.822","0.004","90","","672.7","0.2","300","","300","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0882","0.0516","","","0.124","0.1481","","","","","","1.028","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202379","14.4012","0.0013","7.2212","0.0006","6.2416","0.0006","90","","96.338","0.002","90","","645.12","0.1","90","","90","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0504","0.0428","","","0.109","0.1149","","","","","","1.044","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202380","7.7403","0.0005","9.8733","0.0007","18.1285","0.0013","90","","90","","90","","1385.42","0.17","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0771","0.0417","","","0.0923","0.1139","","","","","","1.009","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202381","7.4842","0.0003","10.0656","0.0004","17.6698","0.0007","90","","90","","90","","1331.12","0.09","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenylhexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0484","0.0432","","","0.1141","0.1187","","","","","","1.047","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202382","7.883","0.002","9.67","0.003","18.529","0.005","90","","90","","90","","1412.4","0.7","370","","370","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.1142","0.054","","","0.1712","0.2354","","","","","","1.022","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202383","7.7439","0.0005","9.8691","0.0007","18.1365","0.0012","90","","90","","90","","1386.09","0.16","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0816","0.0398","","","0.09","0.113","","","","","","0.994","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202389","14.6382","0.0016","3.8142","0.0006","23.812","0.003","90","","101.146","0.011","90","","1304.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C56 H40 Cl8 O16 -","8","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0588","0.0455","","","0.1116","0.1185","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202390","3.8267","0.0003","23.26","0.002","7.6502","0.0001","90","","104.372","0.007","90","","659.63","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0551","0.0433","","","0.1141","0.1235","","","","","","0.953","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202391","4.831","0.003","19.42","0.006","7.7608","0.0019","90","","106.87","0.03","90","","696.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.1211","0.0526","","","0.1368","0.2296","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202392","9.5846","0.0012","10.1883","0.0013","14.561","0.002","88.801","0.002","81.921","0.002","63.489","0.002","1258.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N6 O12 S4 -","- C48 H52 N6 O12 S4 -","- C48 H52 N6 O12 S4 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0643","0.0486","","","0.119","0.1263","","","","","","0.963","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202393","6.54","0.002","7.502","0.002","8.185","0.002","90.704","0.005","91.595","0.004","93.648","0.005","400.57","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0891","0.0421","","","0.0823","0.0948","","","","","","0.866","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202394","11.9327","0.0012","13.0281","0.0013","15.8112","0.0015","85.17","0.002","74.302","0.002","65.333","0.002","2149.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 N6 O8 S2 -","- C43 H54 N6 O8 S2 -","- C86 H108 N12 O16 S4 -","2","1","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0633","0.0436","","","0.12","0.131","","","","","","1.07","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202395","22.41","0.02","8.27","0.007","23.68","0.02","90","","110.17","0.02","90","","4119","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 N12 O12 S4 -","- C33 H40 N12 O12 S4 -","- C132 H160 N48 O48 S16 -","4","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0803","0.0606","","","0.152","0.164","","","","","","1.04","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202396","7.578","0.001","10.715","0.0014","12.6216","0.0016","65.973","0.002","77.839","0.002","81.588","0.002","912.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N16 O6 S2 -","- C28 H42 N16 O6 S2 -","- C28 H42 N16 O6 S2 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0601","0.0426","","","0.1138","0.1228","","","","","","0.983","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202397","28.635","0.003","11.1436","0.0012","17.0423","0.0018","90","","90","","90","","5438.1","1","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H22.55 N4 O6.255 S Zn -","- C28 H22 N4 O6.255 S Zn -","- C224 H176 N32 O50.04 S8 Zn8 -","8","2","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0881","0.0504","","","0.0936","0.1044","","","","","","1.007","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202398","8.7404","0.0008","11.3039","0.001","27.252","0.003","90","","90","","90","","2692.5","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N4 O6 S Zn -","- C28 H22 N4 O6 S Zn -","- C112 H88 N16 O24 S4 Zn4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0376","0.0306","","","0.0638","0.066","","","","","","1.007","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202400","16.67","0.003","9.467","0.002","10.305","0.002","90","","90","","90","","1626.3","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0685","0.0707","","","","","","1.159","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202401","16.39","0.003","10.085","0.002","10.35","0.002","90","","90","","90","","1710.8","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H13 N2 Nd O8 -","- C15 H13 N2 Nd O8 -","- C60 H52 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0307","0.0236","","","0.0552","0.0586","","","","","","1.064","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202402","9.18","0.002","10.517","0.002","13.026","0.003","66.45","0.03","85.96","0.03","78.7","0.03","1130.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 Nd O13 -","- C18 H20 N3 Nd O13 -","- C36 H40 N6 Nd2 O26 -","2","1","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0192","0.0185","","","0.0481","0.0486","","","","","","1.048","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202403","16.652","0.003","9.474","0.002","10.332","0.002","90","","90","","90","","1630","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.02","0.0185","","","0.0479","0.0487","","","","","","1.107","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202404","14.689","0.003","10.544","0.002","8.6613","0.0017","90","","91.03","0.03","90","","1341.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(benzylammonium)(m-iodobenzoate)","(benzylammonium)(m-iodobenzoate)","","- C14 H14 I N O2 -","- C14 H14 I N O2 -","- C56 H56 I4 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0448","0.0354","","","0.0879","0.0948","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202405","16.4778","0.0007","6.0706","0.0002","14.3327","0.0005","90","","108.452","0.002","90","","1359.99","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((2-pyridylmethyl)ammonium) (m-iodobenzoate)","((2-pyridylmethyl)ammonium) (m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0253","0.0207","","","0.0465","0.0489","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202406","12.451","0.003","6.1494","0.0012","17.582","0.004","90","","96.47","0.03","90","","1337.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","((3-pyridylmethyl)ammonium)(m-iodobenzoate)","((3-pyridylmethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0201","0.0176","","","0.0437","0.0453","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202407","6.5652","0.0001","17.7228","0.0004","11.8193","0.0002","90","","91.01","0.001","90","","1375.01","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0228","0.0219","","","0.0519","0.0523","","","","","","1.015","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202408","34.329","0.007","6.2971","0.0013","21.548","0.004","90","","114.77","0.03","90","","4229.5","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(m-iodobenzoic)(((4-pyridylamethl)ammonium)(m-iodobenzoate)","(m-iodobenzoic)(((4-pyridylamethl)ammonium)(m-iodobenzoate)","","- C20 H18 I2 N2 O4 -","- C20 H18 I2 N2 O4 -","- C160 H144 I16 N16 O32 -","8","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0371","0.0285","","","0.0673","0.0717","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202409","4.2616","0.0009","29.232","0.006","17.734","0.004","90","","90.86","0.004","90","","2209","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[N-(3-pyridyl)acetamide], 1,4-diiodotetrafluorobenzene","","- C20 H16 F4 I2 N4 O2 -","- C20 H16 F4 I2 N4 O2 -","- C80 H64 F16 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0651","0.0578","","","0.1255","0.1303","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202410","4.845","0.002","9.716","0.004","13.075","0.006","104.096","0.006","98.36","0.006","91.246","0.006","589.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis{N-[(3-pyridyl)methyl]acetamide}, 1,4-diiodotetrafluorobenzene","","- C22 H20 F4 I2 N4 O2 -","- C22 H20 F4 I2 N4 O2 -","- C22 H20 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0649","0.0535","","","0.1245","0.1301","","","","","","1.111","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202411","7.1917","0.0005","24.644","0.002","8.7269","0.0007","90","","100.535","0.005","90","","1520.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(pyrazol-3-yl)pyridine, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0623","0.0558","","","0.1353","0.1415","","","","","","1.07","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202412","9.0808","0.0007","16.3144","0.0012","13.6934","0.0009","90","","91.057","0.004","90","","2028.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)benzimidazole, 1,4-diiodotetrafluorobenzene, methanol","","- C19 H13 F4 I2 N3 O -","- C19 H13 F4 I2 N3 O -","- C76 H52 F16 I8 N12 O4 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0671","0.0423","","","0.1091","0.129","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202413","7.6881","0.0004","14.8996","0.0008","15.3296","0.0008","72.16","0.001","88.364","0.001","88.508","0.001","1670.61","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(5-OMe-3-pyridyl)(3-pyridyl)ethyne]4, [1,4-I2-F4-benzene]4","","- C70 H40 F12 I6 N8 O4 -","- C70 H40 F12 I6 N8 O4 -","- C70 H40 F12 I6 N8 O4 -","1","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0373","0.0315","","","0.0733","0.0763","","","","","","1.006","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202414","7.2012","0.0007","17.6878","0.0015","17.7138","0.0016","89.927","0.004","82.869","0.007","88.275","0.006","2237.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(5-methoxy-3,3'-bipyridyl)2, (1,4-diiodotetrafluorobenzene)3","","- C40 H20 F12 I6 N4 O2 -","- C40 H20 F12 I6 N4 O2 -","- C80 H40 F24 I12 N8 O4 -","2","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.1346","0.065","","","0.1588","0.1989","","","","","","1.008","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202415","30.345","0.002","4.1878","0.0003","16.6946","0.0012","90","","90","","90","","2121.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(pyridine-3,5-COOH) (2-AcNH-pyr)2, (1,4-I2-F4-benzene)2","","- C33 H21 F8 I4 N5 O6 -","- C33 H21 F8 I4 N5 O6 -","- C66 H42 F16 I8 N10 O12 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0845","0.0427","","","0.1067","0.1235","","","","","","1.013","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202416","6.7735","0.0005","9.3861","0.0007","16.9365","0.0013","90","","92.569","0.001","90","","1075.69","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H16 N2 Nd2 O18 -","- C16 H16 N2 Nd2 O18 -","- C32 H32 N4 Nd4 O36 -","2","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0273","0.0262","","","0.0555","0.0564","","","","","","1.025","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202417","22.3162","0.0011","9.3759","0.0005","22.4546","0.0012","90","","103.061","0.001","90","","4576.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N2 O17.5 Sm2 -","- C16 H10 N2 O17.5 Sm2 -","- C128 H80 N16 O140 Sm16 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0288","0.0269","","","0.0609","0.0618","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202418","22.2466","0.0018","9.3529","0.0007","22.4043","0.0018","90","","103.067","0.001","90","","4541","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Eu2 N2 O17.5 -","- C16 H10 Eu2 N2 O17.5 -","- C128 H80 Eu16 N16 O140 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0467","0.0379","","","0.0814","0.0845","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202419","22.2267","0.0016","9.3424","0.0007","22.3427","0.0016","90","","103.138","0.001","90","","4518","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Gd2 N2 O17.5 -","- C16 H10 Gd2 N2 O17.5 -","- C128 H80 Gd16 N16 O140 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0518","0.042","","","0.0825","0.0857","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202420","21.757","0.003","9.1657","0.0013","22.457","0.003","90","","100.886","0.003","90","","4397.7","1.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N2 O16.5 Tb2 -","- C16 H8 N2 O16.5 Tb2 -","- C128 H64 N16 O132 Tb16 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0416","0.0365","","","0.0819","0.0846","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202421","21.7769","0.0015","9.2174","0.0006","22.3883","0.0015","90","","101.353","0.002","90","","4406","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Dy2 N2 O16 -","- C16 H8 Dy2 N2 O16 -","- C128 H64 Dy16 N16 O128 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0321","0.028","","","0.065","0.0672","","","","","","1.053","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202422","21.721","0.008","9.202","0.004","22.347","0.009","90","","101.243","0.006","90","","4381","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Ho2 N2 O16 -","- C16 H8 Ho2 N2 O16 -","- C128 H64 Ho16 N16 O128 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0282","0.0247","","","0.0549","0.0564","","","","","","1.058","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202423","10.265","0.001","18.651","0.001","18.217","0.001","78.708","0.005","81.334","0.005","75.924","0.005","3298","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . !0.25toluene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . ~0.25toluene","","- C69.5 H74 N6 O4 Pd4 -","- C69.5 H74 N6 O4 Pd4 -","- C139 H148 N12 O8 Pd8 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0388","0.0272","","","0.0599","0.0619","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202424","9.3712","0.0005","11.2535","0.0007","18.6983","0.0011","83.304","0.003","84.253","0.003","78.682","0.003","1914.31","0.19","203","2","203","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5benzene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5benzene","","- C42 H46 N3 O2 Pd2 -","- C42 H46 N3 O2 Pd2 -","- C84 H92 N6 O4 Pd4 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0309","0.0231","","","0.0519","0.0548","","","","","","1.034","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202425","9.5075","0.0005","11.3472","0.0006","18.5747","0.001","82.742","0.001","83.107","0.001","75.987","0.001","1920.35","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5toluene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5toluene","","- C43.5 H49 N3 O2 Pd2 -","- C43.5 H49 N3 O2 Pd2 -","- C87 H98 N6 O4 Pd4 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0365","0.0324","","","0.0746","0.0766","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202426","14.2859","0.0006","28.3485","0.0012","9.2862","0.0004","90","","103.894","0.001","90","","3650.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[{(dmba)Pd}2(m-OAc)(m-N=CPh2)].1(n-hexane)","[μ-Acetato-μ-benzophenone iminato- bis{N,N-dimethylbenzylamine-κN,κC-palladium(II)}] 1(n-hexane)","","- C39 H51 N3 O2 Pd2 -","- C39 H51 N3 O2 Pd2 -","- C156 H204 N12 O8 Pd8 -","4","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0312","0.0296","","","0.0717","0.0725","","","","","","1.135","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202427","14.612","0.006","9.577","0.0016","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","1","0.25","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.06","0.0543","","","0.121","0.1228","","","","","","1.22","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202428","9.546","0.0011","14.7549","0.0015","4.5585","0.0007","90","","90","","90","","642.07","0.14","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrPU","1,3-bis(m-bromophenyl) urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.038","0.0362","","","0.0676","0.0686","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202429","9.5777","0.0005","14.3646","0.0007","4.5596","0.0002","90","","90","","90","","627.31","0.05","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","1-(m-chlorophenyl)-3-(m-tolyl) urea","1-(m-chlorophenyl)-3-(m-tolyl) urea","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C28 H26 Cl2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0492","0.041","","","0.0983","0.1026","","","","","","1.118","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202430","9.588","0.0008","14.3214","0.0011","4.5653","0.0004","90","","90","","90","","626.88","0.09","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","mClPU","1,3-bis(m-chlorophenyl)urea","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C26 H20 Cl4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","","0.71073","MoKα","","0.0277","0.0263","","","0.0707","0.0715","","","","","","1.05","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202431","9.6345","0.0011","15.3998","0.0014","4.5673","0.0008","90","","90","","90","","677.65","0.15","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mIPU","1,3-bis(m-iodophenyl) urea","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C26 H20 I4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.021","0.0201","","","0.0413","0.0417","","","","","","1.073","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202432","9.595","0.0016","14.521","0.002","4.5902","0.001","90","","90","","90","","639.5","0.2","110","","110","","","","","","","","","4","P 21 21 2","P 2 2ab","18","mMePU","1,3-bis(tolyl) urea","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C30 H32 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0596","0.058","","","0.1132","0.114","","","","","","1.213","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202433","9.577","0.0016","14.612","0.006","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C28 H26 Br2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0599","0.0543","","","0.1205","0.1222","","","","","","1.217","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202434","7.346","0.005","29.04","0.02","7.46","0.006","90","","90","","90","","1591","2","299","2","299","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H14 Cd Cl4 N2 -","- C13 H14 Cd Cl4 N2 -","- C52 H56 Cd4 Cl16 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0531","0.0415","","","0.1057","0.1137","","","","","","1.117","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202435","19.275","0.003","7.3987","0.0011","24.409","0.004","90","","90","","90","","3481","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd1.5 Cl5 N2 -","- C12 H16 Cd1.5 Cl5 N2 -","- C96 H128 Cd12 Cl40 N16 -","8","1","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0317","0.0217","","","0.0493","0.0547","","","","","","1.102","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202436","14.4881","0.0018","4.3172","0.0005","14.5404","0.0017","90","","110.928","0.006","90","","849.48","0.18","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Br2 Cd N2 -","- C16 H22 Br2 Cd N2 -","- C32 H44 Br4 Cd2 N4 -","2","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0328","0.0225","","","0.0399","0.042","","","","","","1.029","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202437","25.107","0.003","5.0103","0.0004","13.4757","0.0013","90","","115.739","0.004","90","","1527","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0193","0.0155","","","0.0286","0.0294","","","","","","1.086","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202438","26.262","0.003","4.8965","0.0005","14.2847","0.0014","90","","115.52","0.005","90","","1657.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd I2 N2 -","- C14 H18 Cd I2 N2 -","- C56 H72 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0579","0.0468","","","0.1082","0.1135","","","","","","1.006","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202439","17.105","0.002","4.4783","0.0006","19.149","0.003","90","","99.488","0.007","90","","1446.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd I2 N2 -","- C12 H12 Cd I2 N2 -","- C48 H48 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0217","0.0172","","","0.0302","0.031","","","","","","1.087","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202440","7.589","0.002","23.193","0.007","14.019","0.004","90","","97.04","0.007","90","","2448.9","1.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cd3 Cl12 N6 O2 -","- C40 H44 Cd3 Cl12 N6 O2 -","- C80 H88 Cd6 Cl24 N12 O4 -","2","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.1264","0.0448","","","0.0829","0.1118","","","","","","0.969","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202441","7.2994","0.0015","7.4104","0.0015","30.527","0.006","90","","90","","90","","1651.3","0.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0321","0.0283","","","0.0744","0.0773","","","","","","1.069","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202442","12.375","0.003","23.376","0.005","8.5893","0.0017","90","","104.46","0.03","90","","2406","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cd N5 O10 -","- C14 H18 Cd N4 O9 -","- C56 H72 Cd4 N16 O36 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71069","MoKα","","0.1144","0.0999","","","0.2861","0.3084","","","","","","1.077","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202443","17.64","0.002","13.38","0.003","21.46","0.004","90","","90","","90","","5065.1","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H57 Cd3 N9 O21 -","- C34 H44 Cd3 N8 O20 -","- C136 H176 Cd12 N32 O80 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71073","MoKα","","0.0666","0.0606","","","0.1703","0.1758","","","","","","1.062","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202444","9.55","0.002","13.3","0.005","13.377","0.004","61.82","0.005","69.88","0.007","76.1","0.005","1400.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 Cd1.5 N3 O12 -","- C15 H19 Cd1.5 N3 O10 -","- C30 H38 Cd3 N6 O20 -","2","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71069","MoKα","","0.0866","0.0814","","","0.2548","0.2588","","","","","","1.163","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202445","14.3","0.003","13.041","0.003","18.23","0.004","90","","90","","90","","3399.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cd3 N4 O11 -","- C10 H8 Cd3 N4 O11 -","- C80 H64 Cd24 N32 O88 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0471","0.0382","","","0.0776","0.0806","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202446","16.0901","0.0015","16.0901","0.0015","6.7807","0.0009","90","","90","","90","","1755.5","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C7 H5 Cd K N2 O4 -","- C7 H5 Cd K N2 O4 -","- C56 H40 Cd8 K8 N16 O32 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0453","0.0351","","","0.0647","0.0683","","","","","","0.977","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202447","11.6011","0.0011","9.653","0.0008","13.9669","0.0012","90","","90","","90","","1564.1","0.2","200","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","dipiperazinium tetrachloride monohydrate","dipiperazinium tetrachloride monohydrate","","- C4 H13 Cl2 N2 O0.5 -","- C4 H13 Cl2 N2 O0.5 -","- C32 H104 Cl16 N16 O4 -","8","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0859","0.0449","","","0.0844","0.092","","","","","","0.888","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7202448","10.1916","0.0003","6.3108","0.0002","13.4929","0.0004","90","","107.553","0.003","90","","827.42","0.05","296","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","piperazinium dichloride monohydrate","piperazinium dichloride monohydrate","","- C4 H14 Cl2 N2 O -","- C4 H14 Cl2 N2 O -","- C16 H56 Cl8 N8 O4 -","4","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0498","0.0296","","","0.0815","0.086","","","","","","1.085","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202449","5.2576","0.0001","14.8849","0.0003","6.3547","0.0001","90","","99.85","0.002","90","","489.981","0.016","296","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-diammonio-cyclohexane dichloride","1,4-diammonio-cyclohexane dichloride","","- C6 H16 Cl2 N2 -","- C6 H16 Cl2 N2 -","- C12 H32 Cl4 N4 -","2","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0373","0.0263","","","0.0723","0.0748","","","","","","1.1","","","","has coordinates","256201","2020-10-21","18:00:00",""
"7202450","5.863","0.0006","8.2478","0.0009","9.5959","0.0009","89.659","0.008","76.931","0.008","75.82","0.009","437.64","0.08","296","2","","","","","","","","","","6","P -1","-P 1","2","1,2-diammonio-cyclohexane dichloride mono-sulfoxide","1,2-diammonio-cyclohexane dichloride mono-sulfoxide","","- C10 H28 Cl2 N2 O2 S2 -","- C10 H28 Cl2 N2 O2 S2 -","- C10 H28 Cl2 N2 O2 S2 -","1","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0644","0.0341","","","0.0712","0.0776","","","","","","0.997","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202451","7.4694","0.0002","15.3118","0.0003","8.097","0.0002","90","","110.144","0.003","90","","869.41","0.04","296","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-ammonio-2-amine-cyclohexane chloride","1-ammonio-2-amine-cyclohexane chloride","","- C6 H15 Cl N2 -","- C6 H15 Cl N2 -","- C24 H60 Cl4 N8 -","4","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0562","0.0349","","","0.0835","0.0893","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202452","8.1243","0.0004","15.3477","0.0007","10.0546","0.0004","90","","104.037","0.001","90","","1216.26","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0658","0.0441","","","0.1172","0.1266","","","","","","0.977","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202453","9.543","0.004","21.387","0.009","8.802","0.004","90","","94.868","0.013","90","","1790","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0781","0.0427","","","0.1038","0.1155","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202454","15.7801","0.0013","13.6092","0.0011","19.7644","0.0016","90","","91.767","0.003","90","","4242.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C184 H168 N24 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1225","0.055","","","0.1348","0.1556","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202455","15.333","0.007","13.061","0.006","20.359","0.009","90","","90.412","0.016","90","","4077","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N6 O8 -","- C46 H42 N6 O8 -","- C184 H168 N24 O32 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1779","0.0678","","","0.1573","0.1914","","","","","","0.942","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202456","15.415","0.003","13.17","0.003","20.423","0.004","90","","91.224","0.006","90","","4145.2","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N6 O8 -","- C46 H42 N6 O8 -","- C184 H168 N24 O32 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1617","0.0697","","","0.1604","0.1878","","","","","","0.964","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202457","9.1425","0.0008","18.5623","0.0016","16.1103","0.0015","90","","102.989","0.003","90","","2664.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 O4 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0835","0.0485","","","0.1625","0.2014","","","","","","0.71","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202458","16.7103","0.0016","17.1894","0.0016","18.881","0.003","101.334","0.007","101.137","0.007","116.285","0.005","4519.2","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H85 Cl15 Co2 N8 -","- C85 H85 Cl15 Co2 N8 -","- C170 H170 Cl30 Co4 N16 -","2","1","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.1331","0.0826","","","0.2209","0.2562","","","","","","1.048","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202459","13.5936","0.0009","18.5791","0.0012","24.3507","0.0017","90.743","0.003","92.11","0.002","102.012","0.003","6009.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H80 Cl6 Co2 N10 -","- C90 H80 Cl6 Co2 N10 -","- C180 H160 Cl12 Co4 N20 -","2","1","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.1361","0.0808","","","0.2046","0.2212","","","","","","0.953","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202460","19.6504","0.001","19.6504","0.001","60.258","0.004","90","","90","","120","","20151","2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C116 H136 Cl4 N12 Zn3 -","- C115.248 H134.496 Cl2.496 N12 Zn3 -","- C691.488 H806.976 Cl14.976 N72 Zn18 -","6","0.166667","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.0657","0.0449","","","0.1271","0.1341","","","","","","1.09","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202461","14.4662","0.0018","30.099","0.004","16.497","0.002","90","","91.872","0.002","90","","7179.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MJR458","","","- C74 H48 N4 Ni2 O12 -","- C74 H48 N4 Ni2 O12 -","- C296 H192 N16 Ni8 O48 -","4","1","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.671","synchrotron","","0.1134","0.0764","","","0.1901","0.2074","","","","","","1.038","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202462","31.053","0.002","31.053","0.002","16.9025","0.0012","90","","90","","120","","14115.3","1.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","RH195","","","- C111 H96 N6 Ni3 O18 -","- C111 H96 N6 Ni3 O18 -","- C666 H576 N36 Ni18 O108 -","6","0.166667","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.71073","MoKα","","0.0869","0.0568","","","0.1419","0.1487","","","","","","0.963","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202476","27.5164","0.0019","27.5164","0.0019","14.685","0.002","90","","90","","120","","9629.1","1.6","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 N12 O18 -","- C60.03 H96 N12 O18 -","- C360.18 H576 N72 O108 -","6","0.166667","","Lee, Ho Yong; Kim, Hae-Jo; Lee, Kyoung Jae; Lah, Myoung Soo; Hong, Jong-In","Formation of a discrete helical assembly and packing pattern through charged hydrogen bonds and van der Waals interactions","CrystEngComm","2007","9","1","78","","10.1039/b610512b","","","0.71073","MoKα","","0.1472","0.0729","","","0.2045","0.2573","","","","","","1.016","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202510","25.531","0.005","25.531","0.005","14.907","0.005","90","0.005","90","0.005","120","0.005","8415","4","193","2","193","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C100 H126 N4 Ni2 O9 -","- C100 H126 N4 Ni2 O9 -","- C300 H378 N12 Ni6 O27 -","3","0.5","","Chen, Zhen-Feng; Zhang, Shu-Feng; Luo, Hai-Sheng; Abrahams, Brendan F.; Liang, Hong","Ni2(R*COO)4(H2O)(4,4?-bipy)2?a robust homochiral quartz-like network with large chiral channels","CrystEngComm","2007","9","1","27","","10.1039/b613047j","","","0.71073","MoKα","","0.0912","0.0769","","","0.1818","0.1892","","","","","","1.165","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202511","3.8017","0.0015","6.6115","0.0032","14.485","0.006","100.68","0.08","94.4","0.06","102.11","0.05","347.3","0.3","","","","","","","","","","","Industrial, different phase than CCDC QNACRD03","4","P -1","-P 1","2","5,12-dihydro-quino(2,3-b)acridine-7,14-dione","5,12-dihydro-quino[2,3-b]acridine-7,14-dione","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","1","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","powder diffraction","","","","","","","","","","","","","4.18","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202512","5.692","0.001","3.975","0.001","30.02","0.04","90","","96.76","0.06","90","","674.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-quinacridone (Pigment Violet 19, beta phase)","7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","","","0.7107","MoKα","","0.1997","0.0898","","","0.2057","0.2728","","","","","","0.908","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202513","13.697","0.009","3.881","0.003","13.402","0.001","90","","100.44","0.01","90","","700.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gamma-quinacridone (Pigment Violet 19, gamma phase)","7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","","","0.7107","MoKα","","0.2742","0.209","","","0.425","0.4555","","","","","","1.289","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202517","9.565","0.009","9.897","0.004","13.201","0.004","99.77","0.03","94.17","0.04","115.74","0.07","1094.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Fe N3 O2 -","- C27 H23 Fe N3 O2 -","- C54 H46 Fe2 N6 O4 -","2","1","","Braga, Dario; Giaffreda, Stefano Luca; Rubini, Katia; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto","Making crystals from crystals: three solvent-free routes to the hydrogen bonded co-crystal between 1,1?-di-pyridyl-ferrocene and anthranilic acid","CrystEngComm","2007","9","1","39","","10.1039/b613569b","","","0.71073","MoKα","","0.1127","0.0843","","","0.2221","0.2491","","","","","","1.027","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202518","10.902","0.002","20.356","0.005","17.467","0.004","90","","90.41","0.003","90","","3876.2","1.5","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 5","","","- C41 H32 Ag2 N6 O11 -","- C41 H32 Ag2 N6 O11 -","- C164 H128 Ag8 N24 O44 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0866","0.0627","","","0.1227","0.1347","","","","","","1.049","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202519","8.93","0.002","17.71","0.003","11.524","0.002","90","","97.52","0.02","90","","1806.8","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 7","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0827","0.0413","","","0.0804","0.0873","","","","","","0.828","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202520","7.9","0.003","14.352","0.005","19.379","0.007","73.447","0.005","84.509","0.004","78.025","0.004","2058.7","1.3","168","2","168","2","","","","","","","","5","P -1","-P 1","2","Complex 9","","","- C41.5 H36 Ag2 N6 O12.5 -","- C41.5 H36 Ag2 N6 O12.5 -","- C83 H72 Ag4 N12 O25 -","2","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.1273","0.0835","","","0.1867","0.2074","","","","","","1.095","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202521","17.6095","0.0004","18.6243","0.0004","5.4636","0.0001","90","","90","","90","","1791.87","0.06","148","2","148","2","","","","","","","","5","P n a 21","P 2c -2n","33","Complex 10","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0338","0.0278","","","0.0673","0.0696","","","","","","1.072","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202522","10.239","0.003","12.349","0.003","13.888","0.003","96.859","0.004","93.214","0.004","99.553","0.004","1714.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cl3 N3 O4 -","- C37 H34 Cl3 N3 O4 -","- C74 H68 Cl6 N6 O8 -","2","1","","Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh","Conformational morphosis in azocalix[4]arenes","CrystEngComm","2007","9","2","119","","10.1039/b613841a","","","0.71073","MoKα","","0.0807","0.0647","","","0.1737","0.1859","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202523","10.142","0.006","11.04","0.007","16.001","0.01","96.551","0.01","106.222","0.01","104.465","0.01","1632.8","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","5-(pyridylazo)-trimethoxycalix(4)arene","","","- C37 H34 Cl3 N3 O4 -","- C37 H34 Cl3 N3 O4 -","- C74 H68 Cl6 N6 O8 -","2","1","","Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh","Conformational morphosis in azocalix[4]arenes","CrystEngComm","2007","9","2","119","","10.1039/b613841a","","","0.71073","MoKα","","0.1147","0.091","","","0.2331","0.2529","","","","","","1.07","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202525","6.663","0.002","9.045","0.003","10.707","0.003","72.385","0.005","81.655","0.005","69.238","0.005","574.6","0.3","296","2","296","2","","","","","","","see text","3","P -1","-P 1","2","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol monohydrate","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol monohydrate","","- C10 H20 O7 -","- C10 H20 O7 -","- C20 H40 O14 -","2","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Additive induced polymorphous behavior of a conformationally locked hexol","CrystEngComm","2007","9","2","144","","10.1039/b613949c","","","0.71073","MoKa","","0.0439","0.0389","","","0.1034","0.1066","","","","","","1.034","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202526","6.5273","0.0014","5.9589","0.0012","13.166","0.003","90","","90.163","0.003","90","","512.1","0.19","296","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Additive induced polymorphous behavior of a conformationally locked hexol","CrystEngComm","2007","9","2","144","","10.1039/b613949c","","","0.71073","MoKa","","0.0443","0.0358","","","0.0759","0.0796","","","","","","1.089","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202544","10.8325","0.0006","15.4222","0.0006","15.6315","0.0007","109.225","0.003","105.122","0.003","105.674","0.003","2191.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","((GD(iii)(btp)(NO3)2(H2O)3(MeOH))2btp MeOH NO3) (btp=2,6- bis(N1-1,2,4-triazolyl)pyridine)","","","- C29 H35 Cl Gd N23 O15 -","- C29 H35 Cl Gd N23 O15 -","- C58 H70 Cl2 Gd2 N46 O30 -","2","1","","Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin","Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions","CrystEngComm","2007","9","1","30","","10.1039/b614511f","","","0.71073","MoKα","","0.1073","0.061","","","0.1323","0.156","","","","","","1.008","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202545","10.3789","0.0018","15.428","0.003","16.034","0.003","61.427","0.002","80.926","0.003","72.591","0.003","2151.2","0.7","233","2","233","2","","","","","","","","5","P -1","-P 1","2","((GD(iii)(btp)(NO3)2(H2O)4)2btp H2O MeOH NO3) (btp=2,6-bis(N1- 1,2,4-triazolyl)pyridine)","","","- C29 H33 Gd N24 O14 -","- C28 H33 Gd N24 O14.5 -","- C56 H66 Gd2 N48 O29 -","2","1","","Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin","Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions","CrystEngComm","2007","9","1","30","","10.1039/b614511f","","","0.71073","MoKα","","0.0596","0.0461","","","0.0938","0.0993","","","","","","1.074","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202546","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0362","0.03","","","0.0895","0.0936","","","","","","1.041","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202547","9.646","0.001","9.901","0.001","10.148","0.001","70.539","0.001","74.132","0.001","80.887","0.001","876.57","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C28 H48 Cl4 N4 O4 -","2","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0308","0.0279","","","0.086","0.0882","","","","","","1.036","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202548","23.2912","0.0009","11.9028","0.0004","13.1852","0.0005","90","","105.417","0.003","90","","3523.8","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl3 N4 O6 -","- C28 H51 Cl3 N4 O6 -","- C112 H204 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.1086","0.0381","","","0.0872","0.0936","","","","","","0.806","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202549","13.1816","0.0003","11.8826","0.0003","22.35","0.0005","90","","90","","90","","3500.72","0.14","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H38 Cl3 N4 O6 -","- C28 H38 Cl3 N4 O6 -","- C112 H152 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0684","0.0615","","","0.1687","0.1746","","","","","","1.062","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202550","15.214","0.002","25.819","0.002","19.042","0.002","90","","95.003","0.002","90","","7451.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cd N10 S2 -","- C14 H12 Cd N10 S2 -","- C224 H192 Cd16 N160 S32 -","16","2","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.7107","MoKα","","0.0944","0.0596","","","0.1002","0.1124","","","","","","1.215","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202551","7.6958","0.0002","7.6958","0.0002","28.592","0.002","90","","90","","120","","1466.5","0.12","293","2","293","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C14 H12 Cd N10 Se2 -","- C14 H12 Cd N10 Se2 -","- C42 H36 Cd3 N30 Se6 -","3","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.7107","MoKα","","0.0657","0.0648","","","0.1719","0.1734","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202552","13.3982","0.0004","7.7207","0.0002","19.1997","0.0005","90","","90","","90","","1986.08","0.09","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cd N14 -","- C16 H12 Cd N14 -","- C64 H48 Cd4 N56 -","4","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.71073","MoKα","","0.0555","0.0544","","","0.146","0.147","","","","","","1.142","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202553","17.93","0.004","3.938","0.001","25.723","0.006","90","","90","","90","","1816.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","bis(N-(3-pyridyl)acetamide) fumaric acid","bis[N-(3-pyridyl)acetamide] fumaric acid","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.114","0.0861","","","0.2101","0.2264","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202554","4.9718","0.001","7.0047","0.0011","15.101","0.002","77.032","0.01","89.414","0.012","82.324","0.012","507.8","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(N-((4-pyridyl)methyl)acetamide)2, fumaric acid","{N-[(4-pyridyl)methyl]acetamide}2, fumaric acid","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","1","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1513","0.0883","","","0.2423","0.292","","","","","","0.941","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202555","28.532","0.003","8.2965","0.0008","10.612","0.001","90","","101.987","0.002","90","","2457.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(4-pyridyl)acetamide, sebacic acid","N-(4-pyridyl)acetamide, sebacic acid","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.0661","0.0555","","","0.1544","0.16","","","","","","1.066","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202556","4.7523","0.0007","24.295","0.003","10.0355","0.0012","90","","97.944","0.01","90","","1147.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(acetamidomethyl)pyridine, adipic acid","4-(acetamidomethyl)pyridine, adipic acid","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C44 H60 N8 O12 -","2","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.099","0.062","","","0.1318","0.1486","","","","","","0.965","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202557","34.784","0.006","57.476","0.012","4.7674","0.0009","90","","90","","90","","9531","3","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","(4-(aminomethyl)pyridine acetate)2, isophthalic acid","[4-(aminomethyl)pyridine acetate]2, isophthalic acid","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C384 H416 N64 O96 -","16","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1642","0.0699","","","0.1559","0.1904","","","","","","0.824","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202558","18.5868","0.0012","6.8213","0.0005","14.0335","0.001","90","","103.406","0.004","90","","1730.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-pyridylmethyl)acetamide, 5-nitroisophthalic acid hydrate","N-(4-pyridylmethyl)acetamide, 5-nitroisophthalic acid hydrate","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1282","0.0683","","","0.1736","0.2112","","","","","","1.032","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202559","7.173","0.0008","7.6117","0.0008","11.9194","0.0013","80.462","0.007","75.807","0.007","87.896","0.007","622.19","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(4-pyridyl)acetamide, glutaric acid","N-(4-pyridyl)acetamide, glutaric acid","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C24 H32 N4 O10 -","2","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.0664","0.0542","","","0.1396","0.1483","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202560","6.862","0.0003","10.228","0.0005","12.58","0.0006","97.06","0.003","92.723","0.0019","102.455","0.005","853.11","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate","","- C21 H18 N O2 -","- C21 H18 N O2 -","- C42 H36 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2706","0.0763","","","0.1555","0.2193","","","","","","0.931","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202561","10.864","0.003","11.536","0.003","16.32","0.006","95.128","0.011","108.375","0.014","112.176","0.015","1746.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate monohydrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate monohydrate","","- C42 H38 N2 O5 -","- C42 H38 N2 O5 -","- C84 H76 N4 O10 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.1765","0.0387","","","0.0814","0.1202","","","","","","0.608","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202562","8.4564","0.0004","10.8394","0.0004","11.3593","0.0006","64.012","0.003","79.957","0.002","68.499","0.002","870.69","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2- (1H)-pyridone) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2-(1H)-pyridone) clathrate","","- C21 H18 N O2 -","- C21 H17.16 N O2 -","- C42 H34.32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.0756","0.0516","","","0.1578","0.1663","","","","","","1.064","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202563","7.7433","0.0009","7.7868","0.0008","13.5188","0.0017","88.115","0.004","76.675","0.004","86.03","0.008","791.16","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.1293","0.1001","","","0.2983","0.3199","","","","","","1.093","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202564","6.151","0.006","9.114","0.011","13.112","0.002","95.93","0.05","93.28","0.05","100.18","0.06","717.5","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2102","0.1324","","","0.3794","0.4203","","","","","","1.485","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202565","10.555","0.002","13.574","0.003","17.197","0.003","81.04","0.02","80.96","0.02","81.74","0.02","2385.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol(3,7- Diazatricyclo(4.2.2.22,5) dodeca-9,11-diene-4,8-dione)water clathrate","","","- C60 H50 N3 O7 -","- C60 H48 N3 O6.394 -","- C120 H96 N6 O12.788 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2164","0.1003","","","0.2628","0.2969","","","","","","0.87","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202566","7.7919","0.0002","8.0674","0.0003","13.4552","0.0006","85.0897","0.0014","75.6634","0.0013","81.16","0.002","808.73","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)- pyridone) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)-pyridone) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.0594","0.0369","","","0.0947","0.1002","","","","","","0.912","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202567","11.5","0.005","17.654","0.008","12.048","0.005","90","","95.909","0.01","90","","2433","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 O20 Zn3 -","- C40 H46 N6 O20 Zn3 -","- C80 H92 N12 O40 Zn6 -","2","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.1273","0.0794","","","0.1876","0.2013","","","","","","0.842","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202568","10.122","0.007","10.124","0.007","11.446","0.008","88.961","0.009","69.655","0.009","89.692","0.009","1099.6","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N6 O20 Zn3 -","- C36 H40 N6 O20 Zn3 -","- C36 H40 N6 O20 Zn3 -","1","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0327","0.0297","","","0.0847","0.0864","","","","","","1.05","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202569","11.377","0.007","20.36","0.012","11.665","0.007","90","","103.981","0.008","90","","2622","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N8 O18 Zn3 -","- C46 H44 N8 O18 Zn3 -","- C92 H88 N16 O36 Zn6 -","2","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0951","0.0548","","","0.1317","0.1454","","","","","","0.904","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202570","5.738","0.003","9.471","0.005","10.852","0.007","64.246","0.007","80.464","0.012","89.857","0.009","522.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cu0.5 N2 O3 -","- C11 H10 Cu0.5 N2 O3 -","- C22 H20 Cu N4 O6 -","2","1","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0958","0.0508","","","0.0854","0.0932","","","","","","0.777","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202571","10.028","0.004","12.693","0.005","11.881","0.005","90","","97.236","0.006","90","","1500.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C48 H48 Cu4 N8 O24 -","4","1","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.1022","0.0405","","","0.0741","0.0853","","","","","","0.642","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202580","7.768","0.003","14.344","0.006","16.125","0.007","92.98","0.007","95.605","0.007","99.593","0.007","1758.8","1.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N2 Nd2 O14 -","- C31 H38 N2 Nd2 O14 -","- C62 H76 N4 Nd4 O28 -","2","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0653","0.036","","","0.0651","0.0711","","","","","","0.858","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202581","7.7447","0.0012","10.1935","0.0016","12.1464","0.0019","80.751","0.003","80.287","0.003","82.818","0.003","928.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N O7 Pr -","- C17 H24 N O7 Pr -","- C34 H48 N2 O14 Pr2 -","2","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0854","0.0498","","","0.0916","0.104","","","","","","0.937","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202582","20.433","0.015","6.762","0.005","13.529","0.012","90","","122.77","0.02","90","","1572","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H2 N2 O6 U -","- C5 H2 N2 O6 U -","- C40 H16 N16 O48 U8 -","8","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0333","0.0226","","","0.0397","0.0429","","","","","","1.032","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202583","5.3964","0.0003","13.7766","0.0007","20.9426","0.0011","90","","94.216","0.001","90","","1552.74","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 Cu3 N8 O24 U2 -","- C20 H6 Cu3 N8 O24 U2 -","- C40 H12 Cu6 N16 O48 U4 -","2","0.5","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0452","0.0288","","","0.0521","0.0563","","","","","","1.038","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202584","15.529","0.003","9.4144","0.0015","14.66","0.002","90","","116.848","0.003","90","","1912.2","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 Cu N4 O16 U2 -","- C10 H4 Cu N4 O16 U2 -","- C40 H16 Cu4 N16 O64 U8 -","4","0.5","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0498","0.038","","","0.0803","0.0846","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202588","8.615","0.0001","16.1796","0.0002","18.0133","0.0002","66.868","0.001","82.44","0.001","81.925","0.001","2278.01","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H98 Cl12 Cu6 N6 O40 P12 -","- C42 H98 Cl12 Cu6 N6 O40 P12 -","- C42 H98 Cl12 Cu6 N6 O40 P12 -","1","0.5","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0521","0.041","","","0.0922","0.097","","","","","","1.06","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202589","28.3302","0.0003","7.5044","0.0001","17.4238","0.0003","90","","120.66","0.0005","90","","3186.48","0.08","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H19 Cl2 Mg N O8 P2 -","- C7 H19 Cl2 Mg N O8 P2 -","- C56 H152 Cl16 Mg8 N8 O64 P16 -","8","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0346","0.0277","","","0.0667","0.0702","","","","","","1.043","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202590","9.8138","0.0001","11.2658","0.0001","15.1752","0.0002","100.624","0.001","105.179","0.001","105.465","0.001","1501.22","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","1","0.5","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0387","0.0279","","","0.0671","0.071","","","","","","1.033","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202591","9.1901","0.0002","5.9097","0.0001","16.013","0.0003","90","","103.107","0.001","90","","847.02","0.03","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H21 Cd Cl2 N O9 P2 -","- C7 H21 Cd Cl2 N O9 P2 -","- C14 H42 Cd2 Cl4 N2 O18 P4 -","2","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0247","0.0224","","","0.0479","0.0487","","","","","","1.055","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202592","7.622","0.004","10.286","0.005","24.546","0.013","95.575","0.009","91.129","0.01","95.722","0.01","1904.9","1.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 N8 O12 S2 -","- C34 H30 Ag2 N8 O12 S2 -","- C68 H60 Ag4 N16 O24 S4 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.06","0.0463","","","0.1267","0.1388","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202593","8.281","0.004","10.145","0.005","12.334","0.007","78.948","0.009","80.966","0.01","82.189","0.009","998.4","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Ag N4 O7 S -","- C17 H19 Ag N4 O7 S -","- C34 H38 Ag2 N8 O14 S2 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0356","0.0289","","","0.0733","0.0771","","","","","","1.087","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202594","9.601","0.005","10.292","0.006","11.721","0.007","78.733","0.01","87.057","0.01","65.7","0.009","1034.7","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Ag N4 O7 S -","- C18 H20 Ag N4 O7 S -","- C36 H40 Ag2 N8 O14 S2 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0368","0.029","","","0.0745","0.0805","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202595","9.464","0.0019","12.346","0.003","18.082","0.004","100.51","0.03","103.36","0.03","102.01","0.03","1950.7","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64 Ag4 N16 O22 S4 -","- C72 H64 Ag4 N16 O22 S4 -","- C72 H64 Ag4 N16 O22 S4 -","1","0.5","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0836","0.0512","","","0.1326","0.1495","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202596","16.7531","0.0013","16.7531","0.0013","10.8111","0.0012","90","","90","","120","","2627.8","0.4","298","2","298","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C26 H39.33 Cu2 N2 O20.66 -","- C26 H39.3208 Cu2 N2 O20.66 -","- C78 H117.962 Cu6 N6 O61.98 -","3","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0599","","","0.1223","0.1322","","","","","","1.163","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202597","28.937","0.003","28.937","0.003","10.6939","0.0014","90","","90","","120","","7754.9","1.5","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C252 H368 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","1","0.166667","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0619","","","0.1439","0.1525","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202598","10.875","0.0001","11.4418","0.0001","14.8044","0.0002","107.154","0.001","98.373","0.001","108.36","0.001","1611.74","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Cl2 N O4 P2 Pd -","- C34 H33 Cl2 N O4 P2 Pd -","- C68 H66 Cl4 N2 O8 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0349","0.0288","","","0.0671","0.0705","","","","","","1.022","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202599","28.5307","0.0004","31.9677","0.0006","12.612","0.0002","90","","90","","90","","11502.9","0.3","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35.66667 H35.66667 Cl2 N O3.66667 P2 Pd -","- C35.6667 H35.6667 Cl2 N O3.66667 P2 Pd -","- C428 H428 Cl24 N12 O44 P24 Pd12 -","12","1.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0805","0.0455","","","0.1022","0.1114","","","","","","0.98","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7202600","12.4716","0.0003","16.8605","0.0004","16.8411","0.0004","90","","108.148","0.001","90","","3365.14","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl2 N O4 P2 Pd -","- C34 H33 Cl2 N O4 P2 Pd -","- C136 H132 Cl8 N4 O16 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.055","0.0408","","","0.1067","0.1139","","","","","","1.013","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202601","9.064","0.0005","24.7367","0.0017","15.9091","0.001","90","","97.144","0.002","90","","3539.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C136 H120 Cl20 N4 O12 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1674","0.0665","","","0.1227","0.1531","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202602","9.657","0.005","9.83","0.005","21.63","0.005","86.346","0.005","82.333","0.005","69.59","0.005","1906.9","1.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C68 H60 Cl10 N2 O6 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0777","0.0456","","","0.1025","0.1106","","","","","","0.991","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202603","10.4008","0.0002","10.906","0.0002","17.6929","0.0005","91.922","0.001","102.16","0.001","117.036","0.001","1728.13","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C68 H60 Cl10 N2 O6 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0359","0.0301","","","0.0687","0.0714","","","","","","1.038","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202604","25.1097","0.001","8.0163","0.0002","19.7326","0.0006","90","","99.948","0.001","90","","3912.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H39 Cl2 N O6.5 P2 Pd -","- C36.5 H37 Cl2 N O6.5 P2 Pd -","- C146 H148 Cl8 N4 O26 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0774","0.0478","","","0.11","0.121","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202605","12.3355","0.0002","13.5157","0.0003","14.6704","0.0002","67.561","0.001","86.733","0.001","80.258","0.001","2228.03","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 Cl2 N O7 P2 Pd S3 -","- C40 H47 Cl2 N O7 P2 Pd S3 -","- C80 H94 Cl4 N2 O14 P4 Pd2 S6 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0568","0.0428","","","0.1064","0.1137","","","","","","1.035","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202606","12.6157","0.0004","31.5085","0.0008","9.9021","0.0002","90","","93.629","0.001","90","","3928.21","0.18","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N O5 P2 Pd S2 -","- C37 H41 Cl2 N O5 P2 Pd S2 -","- C148 H164 Cl8 N4 O20 P8 Pd4 S8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0894","0.0437","","","0.076","0.0877","","","","","","0.954","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202607","19.631","0.004","17.047","0.003","10.506","0.002","90","","90","","90","","3515.8","1.2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C35 H35 Cl2 N O4 P2 Pd S -","- C35 H35 Cl2 N O4 P2 Pd S -","- C140 H140 Cl8 N4 O16 P8 Pd4 S4 -","4","0.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1096","0.0784","","","0.2041","0.2292","","","","","","1.028","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202612","7.7901","0.0003","10.8098","0.0004","23.0523","0.0009","90","","90","","90","","1941.22","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-4-(2,3-dihydroxypropoxy) benzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0422","0.0409","","","0.113","0.1151","","","","","","1.11","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202613","11.2283","0.0003","12.835","0.0003","13.7238","0.0004","66.37","0.001","88.669","0.001","65.326","0.001","1621.68","0.08","123","2","123","2","","","","","","","","4","P 1","P 1","1","","Lanthanum (R)-4-(2,3-dihydroxypropoxy) benzoate","","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","1","1","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0167","0.0163","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202614","15.748","0.003","15.748","0.003","12.706","0.003","90","","90","","90","","3151.1","1.1","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Cl2 N2 O2 Zn -","- C36 H30 Cl2 N2 O2 Zn -","- C144 H120 Cl8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1184","0.0518","","","0.1017","0.1235","","","","","","0.862","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202615","15.94","0.001","15.94","0.001","12.604","0.008","90","","90","","90","","3202","2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Br2 N2 O2 Zn -","- C36 H30 Br2 N2 O2 Zn -","- C144 H120 Br8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.0237","0.0194","","","0.0404","0.0415","","","","","","0.924","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202616","21.923","0.001","21.923","0.001","14.7289","0.0008","90","","90","","90","","7079","0.6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H30 I2 N2 O2 Zn -","- C36 H30 I2 N2 O2 Zn -","- C288 H240 I16 N16 O16 Zn8 -","8","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1051","0.0989","","","0.2787","0.2922","","","","","","1.403","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202617","10.3597","0.0004","15.645","0.0005","16.562","0.0007","99.984","0.002","103.52","0.0019","101.54","0.002","2487.96","0.17","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H85 N O6 -","- C53 H85 N O6 -","- C106 H170 N2 O12 -","2","1","","Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer","Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals","CrystEngComm","2007","9","2","176","","10.1039/b616968f","","","0.71073","MoKα","","0.1549","0.0766","","0.1172","0.0761","0.0761","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202618","10.4631","0.0002","15.6769","0.0004","16.462","0.0005","100.759","0.0014","104.014","0.0014","101.721","0.0016","2484.93","0.11","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H82 O7 -","- C53 H82 O7 -","- C106 H164 O14 -","2","1","","Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer","Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals","CrystEngComm","2007","9","2","176","","10.1039/b616968f","","","0.71073","MoKα","","0.0729","0.0687","","0.0795","0.0763","0.0763","","","","","","1.0842","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202619","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202620","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202621","11.954","0.002","12.521","0.002","11.888","0.002","90","","95.68","0.01","90","","1770.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H28 Bi I9 N4 S4 -","- C8 H28 Bi I9 N4 S4 -","- C16 H56 Bi2 I18 N8 S8 -","2","0.25","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0409","","","","0.1085","","","","","","1.125","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202622","23.45","0.005","12.724","0.003","12.401","0.003","90","","108.45","0.03","90","","3510","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H29 Bi I9 N4 O0.5 S4 -","- C8 H28 Bi I9 N4 O0.5 S4 -","- C32 H112 Bi4 I36 N16 O2 S16 -","4","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0485","","","","0.1198","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202623","8.5276","0.0017","10.405","0.002","17.504","0.004","77.92","0.03","87.39","0.03","85.29","0.03","1513","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H30 Bi I8 N4 O -","- C8 H27.97 Bi I8 N4 O -","- C16 H55.94 Bi2 I16 N8 O2 -","2","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0434","","","","0.0943","","","","","","1.026","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202624","11.792","0.002","12.737","0.002","21.908","0.003","90","","94.29","0.01","90","","3281.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H67 Bi I12 N4 O9 -","- C32 H60 Bi I12 N4 O9 -","- C64 H120 Bi2 I24 N8 O18 -","2","0.25","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","0.0593","0.0385","","","0.0833","0.0892","","","","","","1.095","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202625","18.459","0.013","10.458","0.007","13.063","0.01","90","","102.552","0.011","90","","2461","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","terephthalato-bisaquo-1,2-bis(4-pirydyl)ethane-cobalt(ii) hydrated","terephthalato-bisaquo-1,2-bis(4-pirydyl)ethane-cobalt(II) hydrated","","- C20 H25 Co N2 O8.5 -","- C20 H20 Co N2 O8.5 -","- C80 H80 Co4 N8 O34 -","4","1","","Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent","CrystEngComm","2007","9","3","199","","10.1039/b617277f","","","0.71073","MoKα","","0.0558","0.0468","","","0.1414","0.1632","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202626","19.887","0.004","10.574","0.004","11.876","0.003","90","","110.79","0.02","90","","2334.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(ii) glycolethylene solvated","terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(II) glycolethylene solvated","","- C22 H26 Co N2 O8 -","- C22 H26 Co N2 O8 -","- C88 H104 Co4 N8 O32 -","4","0.5","","Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent","CrystEngComm","2007","9","3","199","","10.1039/b617277f","","","0.71073","Mokα","","0.0659","0.0417","","","0.1133","0.1228","","","","","","0.983","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202629","21.019","0.006","11.483","0.003","19.949","0.006","90","","119.92","0.003","90","","4173","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Chen, Shu-Mei; Zhang, Jian; Lu, Can-Zhong","One-pot synthesis of two isomeric zinc complexes with unusual polycatenation motifs","CrystEngComm","2007","9","5","390","","10.1039/b617362d","","","0.71073","MoKα","","","0.0448","","","0.1208","0.1254","","","","","","1.015","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202630","10.497","0.003","14.594","0.004","19.106","0.005","89.927","0.008","83.212","0.007","73.564","0.004","2786","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N4 O16 Zn4 -","- C58 H44 N4 O16 Zn4 -","- C116 H88 N8 O32 Zn8 -","2","1","","Chen, Shu-Mei; Zhang, Jian; Lu, Can-Zhong","One-pot synthesis of two isomeric zinc complexes with unusual polycatenation motifs","CrystEngComm","2007","9","5","390","","10.1039/b617362d","","","0.71073","MoKα","","0.1112","0.0575","","","0.1326","0.1627","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202636","10.0092","0.0006","11.2895","0.0007","15.5109","0.0008","98.9","0.04","102.04","0.05","104","0.05","1623.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O4 -","- C34 H52 N2 O4 -","- C68 H104 N4 O8 -","2","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.132","0.0645","","","0.147","0.1752","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202637","23.029","0.004","25.201","0.005","12.087","0.003","90","","90","","90","","7015","3","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C35 H54 N2 O4 -","- C35 H54 N2 O4 -","- C280 H432 N16 O32 -","8","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.087","0.0463","","","0.0854","0.0979","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202640","27.098","0.004","47.336","0.008","6.933","0.007","90","","90","","90","","8893","9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(bis(pentafluorobenzoyl)methane)copper(ii)","Bis[bis(pentafluorobenzoyl)methane]copper(II)","","- C48 H20 Cu F20 O4 -","- C48 H20 Cu F20 O4 -","- C384 H160 Cu8 F160 O32 -","8","0.5","","Hori, Akiko; Arii, Tadashi","Cation?? and arene?perfluoroarene interactions between Cu(ii) fluorine-substituted ?-diketonate complex and benzenes","CrystEngComm","2007","9","3","215","","10.1039/b617808a","","","0.71069","MoKα","","0.0472","0.0318","","","0.0865","0.0945","","","","","","1.017","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202645","12.4391","0.0006","12.72","0.0005","13.2986","0.0006","90","","114.955","0.001","90","","1907.73","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate","Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate","","- C40 H42 N8 O10 Sn -","- C40 H42 N8 O10 Sn -","- C80 H84 N16 O20 Sn2 -","2","0.5","","Langford, Steven J.; Woodward, Clint P.","Supramolecular self-assembly of dihydroxy tin(iv) porphyrin stabilized helical water chains","CrystEngComm","2007","9","3","218","","10.1039/b617911h","","","0.71073","MoKα","","0.0532","0.048","","","0.0963","0.0985","","","","","","1.248","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202646","7.5677","0.0004","16.7343","0.0006","11.6003","0.0003","90","","90","","90","","1469.06","0.1","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,4,6-trimethylpyridine pentafluoroiodobenzene","2,4,6-trimethylpyridine pentafluoroiodobenzene","","- C14 H11 F5 I N -","- C14 H11 F5 I N -","- C56 H44 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0268","0.0193","","","0.049","0.0514","","","","","","1.116","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202647","7.3936","0.0009","15.4467","0.0019","12.0105","0.0013","90","","90.881","0.01","90","","1371.5","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct","2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0212","0.0189","","","0.0447","0.0454","","","","","","1.051","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202648","7.2401","0.0008","15.1648","0.0014","12.9908","0.0012","90","","91.574","0.008","90","","1425.8","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,5-dimethlpyridine pentafluoroiodobenzene","3,5-dimethlpyridine pentafluoroiodobenzene","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0285","0.0264","","","0.0645","0.066","","","","","","1.079","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202649","7.2792","0.0005","12.9453","0.0007","15.2214","0.0011","90","","95.479","0.006","90","","1427.78","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,5-dimethylpyridine pentafluoroiodobenzene","3,5-dimethylpyridine pentafluoroiodobenzene","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","1","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0689","0.0667","","","0.1865","0.1881","","","","","","1.19","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202650","7.2888","0.0006","14.1251","0.0011","12.6561","0.0011","90","","95.502","0.007","90","","1297.01","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylpyridine pentafluoroiodobenzene","4-methylpyridine pentafluoroiodobenzene","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0307","0.0249","","","0.0601","0.0627","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202651","22.877","0.01","8.045","0.003","10.222","0.004","90","","90","","90","","1881.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu I N6 -","- C20 H16 Cu I N6 -","- C80 H64 Cu4 I4 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0984","0.0794","","","0.2102","0.2246","","","","","","1.049","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202652","23.858","0.005","5.2642","0.001","15.317","0.003","90","","90","","90","","1923.7","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Ag B F4 N6 O0 -","- C20 H16 Ag B F4 N6 -","- C80 H64 Ag4 B4 F16 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0805","0.0382","","","0.0861","0.1059","","","","","","0.98","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202653","25.142","0.005","5.1544","0.001","15.608","0.003","90","","97.98","0.03","90","","2003.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N8 O6 Zn -","- C20 H16 N8 O6 Zn -","- C80 H64 N32 O24 Zn4 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.04","0.036","","","0.0761","0.0783","","","","","","1.089","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202654","13.678","0.002","34.456","0.005","10.243","0.0015","90","","110.382","0.002","90","","4525.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 N12 O11 Zn -","- C42 H42 Cl2 N12 O11 Zn -","- C168 H168 Cl8 N48 O44 Zn4 -","4","1","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.1298","0.0683","","","0.1597","0.1748","","","","","","1.067","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202655","13.675","0.003","33.935","0.007","10.178","0.002","90","","110.05","0.03","90","","4437","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cd Cl2 N12 O11 -","- C42 H42 Cd Cl2 N12 O11 -","- C168 H168 Cd4 Cl8 N48 O44 -","4","1","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.1085","0.0952","","","0.2696","0.2874","","","","","","1.084","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202656","24.236","0.005","5.1343","0.001","15.771","0.003","90","","94.68","0.03","90","","1955.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 Hg N6 -","- C20 H16 Br2 Hg N6 -","- C80 H64 Br8 Hg4 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0266","0.0252","","","0.065","0.0659","","","","","","1.145","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202661","12.475","0.005","8.656","0.005","8.75","0.005","90","","110.275","0.005","90","","886.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetraiodoplumbate(ii)","bis(cyclopropylammonium)tetraiodoplumbate(II)","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C12 H32 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71069","MoKα","","0.0652","0.0386","","","0.094","0.1034","","","","","","1.042","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202662","13.355","0.003","8.356","0.0017","9.0583","0.0018","90","","107.747","0.004","90","","962.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetraiodoplumbate(ii)","bis(cyclobutylammonium)tetraiodoplumbate(II)","","- C8 H20 I4 N2 Pb -","- C8 H20 I4 N2 Pb -","- C16 H40 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0347","0.0264","","","0.0554","0.0573","","","","","","0.985","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202663","14","0.02","8.928","0.014","8.949","0.015","90","","108.57","0.04","90","","1060","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopentylammonium)tetraiodoplumbate(ii)","bis(cyclopentylammonium)tetraiodoplumbate(II)","","- C10 H24 I4 N2 Pb -","- C10 H24 I4 N2 Pb -","- C20 H48 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.1012","0.093","","","0.2339","0.261","","","","","","1.045","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202664","9.1677","0.0015","8.7335","0.0014","27.276","0.005","90","","90","","90","","2183.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(cyclohexylammonium)tetraiodoplumbate(ii)","bis(cyclohexylammonium)tetraiodoplumbate(II)","","- C12 H28 I4 N2 Pb -","- C12 H28 I4 N2 Pb -","- C48 H112 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0511","0.0315","","","0.069","0.0749","","","","","","1.052","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202665","34.587","0.005","8.7821","0.0012","26.662","0.003","90","","124.255","0.002","90","","6693.7","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(cycloheptylammonium)pentaiodoplumbate(ii)","tris(cycloheptylammonium)pentaiodoplumbate(II)","","- C21 H48 I5 N3 Pb -","- C21 H48 I5 N3 Pb -","- C168 H384 I40 N24 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0452","0.0351","","","0.0828","0.087","","","","","","1.063","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202666","7.9889","0.0012","8.6291","0.0013","22.455","0.003","90","","90","","90","","1548","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(cyclooctylammonium)triiodoplumbate(ii)","(cyclooctylammonium)triiodoplumbate(II)","","- C8 H18 I3 N Pb -","- C8 H18 I3 N Pb -","- C32 H72 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.049","0.0423","","","0.0995","0.1019","","","","","","1.064","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202667","8.2675","0.0016","11.014","0.002","11.281","0.002","77.077","0.003","84.154","0.003","70.74","0.003","944.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N O8 Zn -","- C22 H14 N O8 Zn -","- C44 H28 N2 O16 Zn2 -","2","1","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0517","0.0396","","","0.0908","0.0957","","","","","","0.967","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202668","18.694","0.004","12.899","0.004","12.535","0.003","90","","108.991","0.007","90","","2858.1","1.3","278","2","278","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N8 O18 Zn4 -","- C62 H48 N8 O18 Zn4 -","- C124 H96 N16 O36 Zn8 -","2","0.25","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0708","0.0542","","","0.1295","0.1359","","","","","","1.062","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202669","7.3409","0.0016","10.135","0.002","11.966","0.003","75.521","0.003","75.762","0.004","74.716","0.003","815.9","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Cd2 O19 -","- C34 H26 Cd2 O19 -","- C34 H26 Cd2 O19 -","1","0.5","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0774","0.0598","","","0.1178","0.1209","","","","","","1.072","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202670","18.277","0.003","9.8838","0.0018","15.724","0.003","90","","102.463","0.001","90","","2773.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Cd2 N4 O14 -","- C21 H36 Cd2 N4 O14 -","- C84 H144 Cd8 N16 O56 -","4","0.5","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0679","0.0481","","","0.108","0.114","","","","","","0.994","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202671","8.6677","0.0007","13.1873","0.0011","12.1442","0.001","90","","93.983","0.002","90","","1384.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Br4 N2 O4 Pd -","- C22 H32 Br4 N2 O4 Pd -","- C44 H64 Br8 N4 O8 Pd2 -","2","0.5","","Neve, Francesco; Crispini, Alessandra","Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts","CrystEngComm","2007","9","8","698","","10.1039/b618696c","","","0.71073","MoKα","","0.0251","0.0211","","","0.0491","0.0509","","","","","","1.051","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202672","7.7977","0.0009","8.3354","0.001","19.246","0.002","97.599","0.002","92.545","0.002","104.395","0.002","1197.1","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 Br4 N2 O4 Pd -","- C42 H72 Br4 N2 O4 Pd -","- C42 H72 Br4 N2 O4 Pd -","1","0.5","","Neve, Francesco; Crispini, Alessandra","Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts","CrystEngComm","2007","9","8","698","","10.1039/b618696c","","","0.71073","MoKα","","0.0484","0.0348","","","0.083","0.0868","","","","","","0.957","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202673","14.636","0.003","17.062","0.003","25.079","0.004","76.787","0.01","85.972","0.012","64.566","0.009","5503.2","1.8","143","2","143","2","","","","","","","","4","P -1","-P 1","2","3S (aminopyridyl)ethynylcavitand, NO22PhCOOH","3S (aminopyridyl)ethynylcavitand, NO22PhCOOH","","- C114 H106.1 N18.45 O32.55 -","- C114 H106.1 N18.45 O32.55 -","- C228 H212.2 N36.9 O65.1 -","2","1","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.3967","0.1084","","","0.2468","0.3484","","","","","","0.762","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202674","12.7783","0.0009","24.5634","0.0018","29.317","0.002","90","","90","","90","","9202","1.1","85","2","85","2","","","","","","","","4","P n m a","-P 2ac 2n","62","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","","- C101.6 H111 N9 O16 -","- C102.1 H111.598 N9 O16 -","- C408.4 H446.392 N36 O64 -","4","0.5","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.1589","0.0945","","","0.2654","0.3114","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202683","7.475","0.002","11.848","0.003","12.856","0.003","90","","103.12","0.03","90","","1108.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","brucinium bromide dihydrate","","- C23 H31 Br N2 O6 -","- C23 H31 Br N2 O6 -","- C46 H62 Br2 N4 O12 -","2","1","","Agata Białońska; Zbigniew Ciunik","Intermolecular hinge?a new function of the C?H?? hydrogen bond","CrystEngComm","2007","9","7","570","","10.1039/b700211d","","","0.71073","MoKα","","0.078","0.0409","","","0.0703","0.0774","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202684","21.1635","0.0016","5.6554","0.0004","16.5577","0.0013","90","","114.797","0.007","90","","1799","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,3,4,5,6-pentafluorophenol 2,3,4,5,6-pentafluoroaniline 2:1 adduct","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C72 H16 F60 N4 O8 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0431","0.0313","","","0.0573","0.0608","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202685","5.1398","0.0009","19.0901","0.0016","19.152","0.0015","90","","90","","90","","1879.2","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C72 H12 F60 O12 -","12","3","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0695","0.049","","","0.0929","0.1012","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202686","12.938","0.003","4.8572","0.0013","10.01","0.002","90","","106.55","0.02","90","","603","0.3","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C24 H4 F20 O4 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0667","0.0505","","","0.1359","0.1505","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202687","12.0266","0.0005","10.2443","0.0004","4.9988","0.0002","90","","90","","90","","615.87","0.04","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene","1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene","","- C13 H6 F4 I N -","- C13 H6 F4 I N1.434 -","- C26 H12 F8 I2 N2.868 -","2","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0505","0.038","","","0.0695","0.0737","","","","","","0.997","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202688","8.9889","0.0003","9.0836","0.0003","12.9622","0.0005","88.061","0.002","86.489","0.002","67.894","0.002","978.67","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","N7 Cu(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2","N7 Cu(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2","","- C36 H14 Br2 Cu F20 N2 O4 -","- C36 H14 Br2 Cu F20 N2 O4 -","- C36 H14 Br2 Cu F20 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0535","0.0332","","","0.0793","0.0886","","","","","","1.019","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202689","8.9245","0.0004","9.0077","0.0003","13.0921","0.0005","86.37","0.002","86.442","0.002","70.214","0.002","987.42","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","NSBrCo Co(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2","NSBrCo Co(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2","","- C36 H14 Br2 Co F20 N2 O4 -","- C36.004 H14 Br2 Co F20.012 N2 O4 -","- C36.004 H14 Br2 Co F20.012 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0562","0.0354","","","0.0795","0.0874","","","","","","1.027","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202690","9.0352","0.0004","9.0357","0.0004","13.2174","0.0006","87.447","0.002","88.53","0.002","69.506","0.002","1009.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","N3 Cu(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-I- phenyl)ethene)2","N3 Cu(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene]2","","- C36 H14 Cu F20 I2 N2 O4 -","- C36 H14 Cu F20 I2 N2 O4 -","- C36 H14 Cu F20 I2 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.047","0.0327","","","0.0716","0.0784","","","","","","1.031","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202691","9.9628","0.0006","10.6131","0.0007","12.7053","0.0008","114.135","0.001","98.032","0.001","92.76","0.001","1205.68","0.13","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.031","0.027","","","0.057","0.059","","","","","","1","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202692","8.4818","0.0006","11.9828","0.0008","12.1684","0.0008","105.973","0.001","99.485","0.001","106.821","0.001","1097.24","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Au2 N2 O2 P2 S2 -","- C46 H48 Au2 N2 O2 P2 S2 -","- C46 H48 Au2 N2 O2 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.038","0.035","","","0.089","0.09","","","","","","1.16","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202693","8.9734","0.0012","10.5472","0.0014","25.098","0.003","90","","92.957","0.003","90","","2372.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 N2 O2 P2 S2 -","- C48 H52 Au2 N2 O2 P2 S2 -","- C96 H104 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.048","0.033","","","0.071","0.077","","","","","","1.02","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202694","9.2907","0.0005","11.4082","0.0006","12.0751","0.0006","115.352","0.001","91.155","0.001","90.652","0.001","1156.07","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Au2 N4 O6 P2 S2 -","- C46 H46 Au2 N4 O6 P2 S2 -","- C46 H46 Au2 N4 O6 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.03","0.027","","","0.063","0.064","","","","","","1","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202695","8.872","0.002","12.31","0.003","12.717","0.003","104.028","0.005","90.272","0.005","107.186","0.005","1282.9","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 Au2 N4 O7 P2 S2 -","- C49 H50 Au2 N4 O7 P2 S2 -","- C49 H50 Au2 N4 O7 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.096","0.048","","","0.113","0.136","","","","","","1.01","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202696","13.8791","0.001","13.3279","0.001","26.1381","0.0019","90","","104.601","0.002","90","","4678.9","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Au2 N2 O4 P2 S2 -","- C46 H48 Au2 N2 O4 P2 S2 -","- C184 H192 Au8 N8 O16 P8 S8 -","4","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.062","0.042","","","0.118","0.125","","","","","","1.07","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202697","9.2316","0.0019","10.341","0.002","24.703","0.005","90","","99.062","0.005","90","","2328.8","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 N2 O2 P2 S2 -","- C48 H52 Au2 N2 O2 P2 S2 -","- C96 H104 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.054","0.037","","","0.082","0.097","","","","","","1.04","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202698","9.3315","0.0011","10.3035","0.0012","24.665","0.003","90","","95.074","0.003","90","","2362.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Au2 N2 O2 P2 S2 -","- C50 H56 Au2 N2 O2 P2 S2 -","- C100 H112 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.054","0.039","","","0.087","0.092","","","","","","1.03","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202700","7.8386","0.001","12.791","0.003","13.187","0.002","90","","99.17","0.011","90","","1305.3","0.4","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain","Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes","CrystEngComm","2007","9","4","270","","10.1039/b700652g","","","0.71073","MoKα","","0.2296","0.0675","","0.1282","0.057","0.057","","","","","","1.0526","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202701","4.9678","0.0007","10.533","0.004","13.094","0.002","90","","91.194","0.013","90","","685","0.3","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain","Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes","CrystEngComm","2007","9","4","270","","10.1039/b700652g","","","0.71073","MoKα","","0.0706","0.0473","","0.0756","0.0595","0.0595","","","","","","1.0549","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202702","12.2204","0.0002","12.5113","0.0002","13.5098","0.0002","69.946","0.001","87.21","0.001","68.896","0.001","1803.58","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 N4 O9 -","- C34 H50 N4 O9 -","- C68 H100 N8 O18 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1046","0.069","","","0.2015","0.2305","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202703","20.7294","0.0019","7.8139","0.0007","22.774","0.002","90","","104.081","0.002","90","","3578","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C152 H152 N24 O40 -","8","2","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1887","0.0958","","","0.1779","0.2165","","","","","","1.041","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202704","11.19","0.0002","11.3769","0.0002","17.1563","0.0004","80.895","0.001","76.141","0.001","65.615","0.001","1927.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 N4 O13 S2 -","- C38 H40 N4 O13 S2 -","- C76 H80 N8 O26 S4 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0812","0.0634","","","0.1673","0.1846","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202705","11.4032","0.0005","11.4631","0.0005","15.0226","0.0007","80.782","0.003","72.286","0.003","68.221","0.003","1734.59","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O5 -","- C38 H38 N4 O5 -","- C76 H76 N8 O10 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1814","0.0688","","","0.1241","0.1641","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202706","7.528","0.002","11.516","0.003","12.334","0.003","114.29","0.004","99.137","0.004","96.136","0.004","944.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","1","0.5","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0768","0.0456","","","0.136","0.1604","","","","","","0.99","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202707","8.1869","0.0002","10.402","0.0002","13.6322","0.0003","111.239","0.002","93.668","0.002","105.441","0.002","1026.25","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0581","0.0437","","","0.1082","0.12","","","","","","1.021","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202708","5.1139","0.0001","13.4807","0.0003","24.8362","0.0005","90","","90","","90","","1712.18","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1171","0.0501","","","0.0852","0.1036","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202709","9.4877","0.0015","12.6863","0.0019","14.832","0.002","90","","90","","90","","1785.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1017","0.0481","","","0.1248","0.1545","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202711","8.8927","0.0006","22.5574","0.0015","22.7642","0.0015","90","","95.59","0.002","90","","4544.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(La(BA)3(DMSO))n","","","- C23 H21 La O7 S -","- C23.0005 H21 La O7 S -","- C184.004 H168 La8 O56 S8 -","8","2","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1096","0.1055","","","0.2212","0.2228","","","","","","1.437","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202712","13.537","0.0003","15.4019","0.0004","17.2256","0.0004","69.58","0.001","73.354","0.001","71.91","0.001","3134.8","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly(tris(dimethylformamide)hexakis(3-nitrobenzoato)bis- lanthanum (iii)) DMF/H2O solvate","poly[tris(dimethylformamide)hexakis(3-nitrobenzoato)bis-lanthanum (III)] DMF/H2O solvate","","- C54 H58 La2 N10 O29 -","- C54 H58 La2 N10 O29 -","- C108 H116 La4 N20 O58 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0333","0.0294","","","0.0654","0.0671","","","","","","1.135","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202713","16.4013","0.001","9.6954","0.0005","20.2097","0.0011","90","","108.461","0.002","90","","3048.3","0.3","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly((aqua)(dimethylsulphoxide)tris(4- nitrobenzoato)lanthanum(iii)) DMSO solvate","poly[(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)lanthanum(III)] DMSO solvate","","- C25 H26 La N3 O15 S2 -","- C25 H26 La N3 O15 S2 -","- C100 H104 La4 N12 O60 S8 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0859","0.0511","","","0.0812","0.0988","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202714","9.6514","0.0004","21.4458","0.0005","15.9922","0.0003","90","","95.028","0.001","90","","3297.36","0.17","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","poly((aqua)(dimethylsulphoxide)tris(3- methoxybenzoato)lanthanum (iii)), DMSO solvate.","poly[(aqua)(dimethylsulphoxide)tris(3-methoxybenzoato)lanthanum (III)], DMSO solvate.","","- C28 H35 La O12 S2 -","- C28 H35 La O12 S2 -","- C112 H140 La4 O48 S8 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0632","0.0365","","","0.0785","0.0881","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202715","9.6002","0.0002","11.3814","0.0002","14.8606","0.0003","95.295","0.001","101.131","0.001","95.719","0.001","1574.87","0.05","123","1","123","1","","","","","","","","5","P -1","-P 1","2","HB18DMSO","","","- C29 H35 La O14 S -","- C29 H35 La O14 S -","- C58 H70 La2 O28 S2 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.023","0.0218","","","0.0516","0.0525","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202716","9.633","0.0003","10.038","0.0003","32.5121","0.0008","86.171","0.001","89.509","0.001","75.716","0.001","3039.7","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly((bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum).DMSO.H2O)","poly{[bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum].DMSO.H2O}","","- C54 H66 La2 O24 S3 -","- C54 H64 La2 O24 S3 -","- C108 H128 La4 O48 S6 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0834","0.0465","","","0.1022","0.1172","","","","","","1.023","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202717","11.5323","0.0002","33.7471","0.0006","9.5791","0.0003","90","","104.326","0.001","90","","3612.08","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((aqua)(dimethylformamide)tris(4- ethoxybenzoato)lanthanum(iii))","[(aqua)(dimethylformamide)tris(4-ethoxybenzoato)lanthanum(III)]","","- C33 H43 La N2 O12 -","- C33 H43 La N2 O12 -","- C132 H172 La4 N8 O48 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.083","0.0371","","","0.0798","0.0939","","","","","","0.959","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202718","20.0604","0.0003","17.4169","0.0002","23.1887","0.0003","90","","114.945","0.001","90","","7346.1","0.18","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((La3(BA)9(DMF)3).DMF)n","","","- C75 H73 La3 N4 O22 -","- C75 H73 La3 N4 O22 -","- C300 H292 La12 N16 O88 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0663","0.0396","","","0.0788","0.0863","","","","","","1.024","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202719","15.4745","0.0001","21.8201","0.0002","22.9482","0.0002","90","","106.962","0.001","90","","7411.5","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(La3(2-MeBA)9(DMF)2)n","","","- C78 H74 La3 N2 O20 -","- C78 H77 La3 N2 O20 -","- C312 H308 La12 N8 O80 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0621","0.0458","","","0.0838","0.0881","","","","","","1.167","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202720","9.6022","0.0002","9.9801","0.0002","16.1375","0.0003","106.171","0.001","94.743","0.001","101.49","0.001","1439.75","0.05","123","1","123","1","","","","","","","","5","P -1","-P 1","2","poly((aqua)(dimethylsulphoxide)tris(3- methylbenzoato)lanthanum(iii)) water solvate","poly[(aqua)(dimethylsulphoxide)tris(3-methylbenzoato)lanthanum(III)] water solvate","","- C26 H31 La O9 S -","- C26 H31 La O9 S -","- C52 H62 La2 O18 S2 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0464","0.0345","","","0.0736","0.0774","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202721","8.2424","0.0003","12.3545","0.0006","16.3741","0.0009","79.625","0.003","87.983","0.003","82.373","0.003","1625.51","0.13","123","1","123","1","","","","","","","","4","P -1","-P 1","2","poly(tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(iii)) 3-methylbenzoic acid solvate","poly[tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(III)] 3- methylbenzoic acid solvate","","- C36 H33 La O9 -","- C36 H32.5 La O9 -","- C72 H65 La2 O18 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1288","0.0959","","","0.2267","0.2566","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202722","25.5545","0.0002","19.5508","0.0002","16.9228","0.0002","90","","118.495","0.001","90","","7430.59","0.15","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(bis(dimethylsulphoxide)tris(2,4,6- trimethylbenzoato)lanthanum (iii))","bis[bis(dimethylsulphoxide)tris(2,4,6-trimethylbenzoato)lanthanum (III)]","","- C68 H90 La2 O16 S4 -","- C68 H90 La2 O16 S4 -","- C272 H360 La8 O64 S16 -","4","0.5","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.087","0.045","","","0.1004","0.1136","","","","","","1.039","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202723","22.1543","0.0018","16.1425","0.0013","9.6019","0.0007","90","","93.077","0.003","90","","3428.9","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","poly((dimethylsulphoxide)tris(4-tert- butylbenzoato)lanthanum(iii))","poly[(dimethylsulphoxide)tris(4-tert-butylbenzoato)lanthanum(III)]","","- C35 H45 La O7 S -","- C35 H45 La O7 S -","- C140 H180 La4 O28 S4 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1913","0.1868","","","0.4019","0.404","","","","","","1.272","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202724","24.9553","0.0011","8.0474","0.0003","30.679","0.0013","90","","90","","90","","6161.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","poly((dimethylformamide)tris(2- aminomethylbenzoato)lanthanum(iii)) DMF solvate","poly[(dimethylformamide)tris(2-aminomethylbenzoato)lanthanum(III)] DMF solvate","","- C30 H38 La N5 O8 -","- C30 H38 La N5 O8 -","- C240 H304 La8 N40 O64 -","8","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.149","0.1324","","","0.2328","0.2389","","","","","","1.468","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202725","9.9777","0.0001","13.9145","0.0002","13.9532","0.0002","70.295","0.001","82.314","0.001","75.908","0.001","1766.03","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","poly((aqua)(dimethylsulphoxide)tris(3- nitrobenzoato)lanthanum(iii)) bis DMSO solvate","poly[(aqua)(dimethylsulphoxide)tris(3-nitrobenzoato)lanthanum(III)] bis DMSO solvate","","- C27 H32 La N3 O16 S3 -","- C26.996 H32 La N3 O16 S3 -","- C53.992 H64 La2 N6 O32 S6 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.037","0.0277","","","0.0593","0.0626","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202730","17.028","0.004","16.175","0.004","33.771","0.007","90","","100.799","0.004","90","","9137","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H84 Cl4 Co2 N24 O24 -","- C80 H84 Cl4 Co2 N24 O24 -","- C320 H336 Cl16 Co8 N96 O96 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1027","0.0617","","","0.1545","0.1828","","","","","","1.033","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202731","16.992","0.003","15.164","0.003","17.489","0.003","90","","90","","90","","4506.3","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O7 S -","- C20 H20 Co N6 O7 S -","- C160 H160 Co8 N48 O56 S8 -","8","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1085","0.0692","","","0.1518","0.1715","","","","","","1.113","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202732","24","0.02","15.522","0.016","16.523","0.017","90","","133.517","0.003","90","","4464","7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.0659","0.0545","","","0.1183","0.1229","","","","","","1.094","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202733","10.5491","0.0016","14.136","0.002","16.082","0.003","87.483","0.003","86.253","0.003","89.096","0.003","2390.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cd Cl2 N12 O12 -","- C40 H42 Cd Cl2 N12 O12 -","- C80 H84 Cd2 Cl4 N24 O24 -","2","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1581","0.0543","","","0.0996","0.1366","","","","","","1.002","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202734","25.284","0.0003","25.284","0.0003","12.1961","0.0003","90","","90","","120","","6752.2","0.2","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C93 H97 Cu3 N9 O26 -","- C93 H87 Cu3 N9 O21 -","- C279 H261 Cu9 N27 O63 -","3","0.333333","","Jeong, Kyung Seok; Kim, Sun Young; Oh, Youjin; Min, Dong Won; Kim, Jaheon; Jeong, Nakcheol","A chiral trianglular coordination complex derived from (S,S)-1,2-dimethoxy-di-4-(2?-carboxyl-5?-pyridyl)phenyl ethane and Cu(ii) by self-assembly","CrystEngComm","2007","9","4","273","","10.1039/b701121k","","","0.71073","MoKα","","0.0984","0.059","","","0.1464","0.1598","","","","","","1.039","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202735","20.8688","0.0006","18.5411","0.0005","9.8944","0.0003","90","","94.905","0.001","90","","3814.42","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd2 N10 S6 -","- C34 H30 Cd2 N10 S6 -","- C136 H120 Cd8 N40 S24 -","4","1","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.0219","0.0169","","","0.0419","0.0429","","","","","","1.139","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202736","41.046","0.0008","4.5649","0.0005","7.978","0.004","90","","90","0.002","90","","1494.8","0.8","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C30 H34 N6 O2 S2 -","- C30 H34 N6 O2 S2 -","- C60 H68 N12 O4 S4 -","2","0.25","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.1038","0.0764","","","0.2074","0.2333","","","","","","1.115","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202737","6.7781","0.0009","13.5566","0.0018","26.631","0.004","90","","90","","90","","2447.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-ethyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-ethyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.0731","0.0419","","","0.0942","0.1066","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202738","14.569","0.004","25.121","0.007","6.7399","0.0019","90","","96.743","0.005","90","","2449.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium 2- methyl-5-nitro benzenesulfonate","N-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium 2-methyl-5-nitro benzenesulfonate","","- C28 H25 N3 O5 S -","- C28 H25 N3 O5 S -","- C112 H100 N12 O20 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.1072","0.0506","","","0.1049","0.1262","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202739","6.6773","0.0006","14.0015","0.0015","24.593","0.002","90","","90","","90","","2299.3","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.119","0.0628","","","0.0929","0.1077","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202740","5.8976","0.0005","5.8184","0.0005","23.7875","0.0019","90","","90.573","0.001","90","","816.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn -","- C7 H5 N O6 Zn -","- C28 H20 N4 O24 Zn4 -","4","1","","Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming","Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand","CrystEngComm","2007","9","9","753","","10.1039/b701384a","","","0.71073","MoKα","","0.0524","0.0358","","","0.091","0.0958","","","","","","1.038","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202741","3.39","0.0007","12.59","0.003","12.17","0.002","90","","94.18","0.03","90","","518.04","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O6 -","- C12 H8 Cu N2 O6 -","- C24 H16 Cu2 N4 O12 -","2","0.5","","Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming","Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand","CrystEngComm","2007","9","9","753","","10.1039/b701384a","","","0.71073","MoKα","","0.0257","0.0238","","","0.073","0.0738","","","","","","1.045","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202743","24.016","0.003","7.4363","0.0006","11.1585","0.001","90","","97.587","0.012","90","","1975.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Me4N+, [Ni(tfadt)2]-","","","- C12 H12 F6 N3 Ni S4 -","- C12 H12 F6 N3 Ni S4 -","- C48 H48 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1059","0.0648","","","0.1766","0.1992","","","","","","0.993","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202744","7.6741","0.0006","18.8293","0.0019","16.2154","0.0019","90","","97.86","0.01","90","","2321.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Et4N+, [Ni(tfadt)2]-","","","- C16 H20 F6 N3 Ni S4 -","- C16 H8 F6 N3 Ni S4 -","- C64 H32 F24 N12 Ni4 S16 -","4","1","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1336","0.0472","","","0.0999","0.1231","","","","","","0.795","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202745","16.384","0.003","7.7447","0.0015","19.192","0.004","90","","90","","90","","2435.3","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Et4N+, Ni(tfadt)2-","","","- C16 H20 F6 N3 Ni S4 -","- C16 F6 N3 Ni S4 -","- C64 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1686","0.0806","","","0.2238","0.2721","","","","","","0.793","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202746","8.141","0.0005","14.8045","0.001","9.7157","0.0006","90","","101.931","0.001","90","","1145.67","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.087","0.064","","","0.153","0.166","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202747","8.105","0.0008","10.9411","0.001","11.9874","0.0012","90","","90.821","0.002","90","","1062.9","0.18","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.067","0.052","","","0.13","0.139","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202748","7.1307","0.0006","19.8847","0.0017","8.2842","0.0006","90","","99.827","0.001","90","","1157.4","0.16","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.059","0.044","","","0.113","0.121","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202749","16.017","0.004","10.324","0.003","12.342","0.003","90","","104.048","0.005","90","","1979.8","0.9","293","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1249","0.0476","","","0.0933","0.1214","","","","","","0.979","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202750","10.177","0.002","11.855","0.002","13.009","0.003","100.42","0.03","100.3","0.03","115.33","0.03","1336","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Cl3 Cu I N4 O0.5 -","- C29 H18 Cl3 Cu I N4 O0.5 -","- C58 H36 Cl6 Cu2 I2 N8 O -","2","1","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0835","0.0646","","","0.1598","0.1783","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202751","17.163","0.01","15.442","0.009","12.133","0.007","90","","113.534","0.008","90","","2948","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H56 Cd N10 O10 -","- C64 H56 Cd N10 O10 -","- C128 H112 Cd2 N20 O20 -","2","0.25","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0562","0.0471","","","0.132","0.1423","","","","","","1.033","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202752","8.302","0.002","25.713","0.007","9.153","0.003","90","","102.842","0.005","90","","1905","0.9","294","2","294","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C31 H21 Ag B Cl9 F4 N4 O0 -","- C31 H21 Ag B Cl9 F4 N4 -","- C62 H42 Ag2 B2 Cl18 F8 N8 -","2","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1659","0.0938","","","0.2454","0.2899","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202753","23.438","0.005","16.481","0.003","7.9237","0.0016","90","","93.64","0.03","90","","3054.6","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Ag Cl6 N5 O3 -","- C30 H20 Ag Cl6 N5 O3 -","- C120 H80 Ag4 Cl24 N20 O12 -","4","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0778","0.0709","","","0.2012","0.2095","","","","","","1.074","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202754","9.0079","0.0016","12.129","0.002","14.031","0.002","110.672","0.002","100.713","0.003","98.948","0.003","1367.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 Cl8 Mn N8 -","- C58 H36 Cl8 Mn N8 -","- C58 H36 Cl8 Mn N8 -","1","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0979","0.0594","","","0.1451","0.1704","","","","","","1.025","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202755","12.586","0.005","16.546","0.007","26.9","0.012","90","","99.338","0.01","90","","5528","4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 N4 S2 -","- C22 H40 N4 S2 -","- C176 H320 N32 S16 -","8","2","","Custelcean, Radu; Engle, Nancy L.; Bonnesen, Peter V.","Crystalline hydrogen-bonded nanocolumns of cyclic thiourea octamers","CrystEngComm","2007","9","6","452","","10.1039/b701570d","","","0.71073","MoKα","","0.1558","0.0696","","","0.1388","0.163","","","","","","0.864","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202759","13.8208","0.0014","6.8015","0.0006","16.8268","0.0016","90","","103.653","0.002","90","","1537.1","0.3","571","2","571","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N6 O4 Zn -","- C12 H10 N6 O4 Zn -","- C48 H40 N24 O16 Zn4 -","4","0.5","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0321","0.03","","","0.0879","0.0895","","","","","","1.077","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202760","16.202","0.004","12.591","0.003","11.488","0.003","90","","90.283","0.004","90","","2343.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N8 O8 Zn2 -","- C20 H16 N8 O8 Zn2 -","- C80 H64 N32 O32 Zn8 -","4","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0488","0.0428","","","0.123","0.1374","","","","","","1.109","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202761","10.3273","0.0008","15.0682","0.0012","19.0674","0.0015","90","","90","","90","","2967.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 O4 Zn -","- C13 H14 N4 O4 Zn -","- C104 H112 N32 O32 Zn8 -","8","2","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0261","0.0246","","","0.0613","0.0622","","","","","","1.056","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202762","6.7562","0.0003","13.1951","0.0007","33.5642","0.0017","90","","94.263","0.001","90","","2983.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N12 O9 Zn2 -","- C24 H22 N12 O9 Zn2 -","- C96 H88 N48 O36 Zn8 -","4","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0548","0.0478","","","0.1117","0.116","","","","","","1.078","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202763","6.8528","0.0004","7.1459","0.0004","14.3017","0.0008","100.991","0.001","91.827","0.001","94.104","0.001","685","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N4 O4 Zn -","- C12 H12 N4 O4 Zn -","- C24 H24 N8 O8 Zn2 -","2","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.022","0.0215","","","0.0571","0.0574","","","","","","1.044","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202764","18.91","0.0016","5.9777","0.0006","17.2465","0.0017","90","","96.236","0.004","90","","1938","0.3","90","1","90","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.0743","0.0495","","","0.1178","0.1337","","","","","","1.002","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202765","43.6174","0.0015","5.9652","0.0002","7.4612","0.0003","90","","90","","90","","1941.3","0.12","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.1055","0.0508","","","0.0946","0.1136","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202766","23.76","0.002","6.0368","0.0005","13.6085","0.0012","90","","101.123","0.003","90","","1915.3","0.3","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","0.5","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.0522","0.0416","","","0.1078","0.1177","","","","","","1.046","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202768","7.9642","0.001","9.1534","0.0012","10.9628","0.0014","84.746","0.002","79.247","0.002","79.584","0.002","770.83","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 Zn -","- C15 H15 N3 O5 Zn -","- C30 H30 N6 O10 Zn2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0575","0.0471","","","0.124","0.138","","","","","","1.101","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202769","8.486","0.004","9.551","0.004","16.351","0.006","90","","97.79","0.02","90","","1313","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 B F4.17 N3 O2 Zn0.5 -","- C11 H11 B F4.18 N3 O2 Zn0.5 -","- C44 H44 B4 F16.72 N12 O8 Zn2 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.1225","0.0667","","","0.1511","0.1757","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202770","7.805","0.003","13.773","0.006","13.362","0.004","90","","119.81","0.017","90","","1246.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 N3 O Zn -","- C11 H9 Cl2 N3 O Zn -","- C44 H36 Cl8 N12 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.1586","0.1014","","","0.1876","0.204","","","","","","1.174","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202771","7.8782","0.001","8.2339","0.001","9.8945","0.0012","93.223","0.002","98.037","0.002","112.535","0.002","582.76","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cd0.5 N4 O4 -","- C11 H9 Cd0.5 N4 O4 -","- C22 H18 Cd N8 O8 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0306","0.0304","","","0.0807","0.081","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202772","10.2806","0.001","22.399","0.002","15.2443","0.0011","90","","124.862","0.004","90","","2880.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N8 O8 -","- C22 H18 Cd N8 O8 -","- C88 H72 Cd4 N32 O32 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0982","0.0871","","","0.1957","0.1996","","","","","","1.289","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202773","8.738","0.004","9.491","0.004","15.969","0.007","90","","92.922","0.007","90","","1322.6","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 N3 O Zn -","- C11 H9 Cl2 N3 O Zn -","- C44 H36 Cl8 N12 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0438","0.0341","","","0.083","0.0884","","","","","","0.894","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202774","6.203","0.003","6.7961","0.0012","6.998","0.002","90","0.017","90","0.03","90","0.03","295.01","0.17","293","2","293","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- C4 H6 Cu O5 -","- C4 H6 Cu O5 -","- C8 H12 Cu2 O10 -","2","0.5","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0385","0.0352","","","0.0862","0.0872","","","","","","1.09","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202775","6.2854","0.0002","16.4373","0.0006","7.0129","0.0002","90","","92.594","0.002","90","","723.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cu N O4 -","- C6 H6 Cu N O4 -","- C24 H24 Cu4 N4 O16 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0382","0.03","","","0.0704","0.0738","","","","","","0.906","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202776","7.2395","0.0004","19.4035","0.0014","7.3889","0.0003","90","0.005","91.844","0.005","90","0.005","1037.39","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu N O5 -","- C9 H10 Cu N O5 -","- C36 H40 Cu4 N4 O20 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0921","0.0597","","","0.1035","0.1145","","","","","","1.052","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202777","14.144","0.003","14.144","0.003","3.8148","0.0007","90","","90","","90","","763.2","0.3","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 1","","","- C10 H6 Cl6 Hg N2 -","- C10 H6 Cl6 Hg N2 -","- C20 H12 Cl12 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0397","0.03","","","0.0735","0.0798","","","","","","1.018","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202778","14.147","0.002","14.147","0.002","3.8871","0.0008","90","","90","","90","","778","0.2","293","2","293","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","Compound 2","","","- C10 H6 Br4 Cl2 Hg N2 -","- C10 H6 Br4 Cl2 Hg N2 -","- C20 H12 Br8 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0268","0.0233","","","0.0507","0.0516","","","","","","0.99","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202779","14.1357","0.0007","14.1357","0.0007","3.9721","0.0003","90","","90","","90","","793.7","0.08","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 3a","","","- C14 H18 Cl2 Hg N2 -","- C14 H18 Cl2 Hg N2 -","- C28 H36 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0236","0.0197","","","0.0487","0.0497","","","","","","1.172","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202780","3.996","0.0009","20.203","0.004","16.572","0.004","90","","95.292","0.005","90","","1332.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3b","","","- C14 H18 Cl8 Hg4 N2 -","- C14 H18 Cl8 Hg4 N2 -","- C28 H36 Cl16 Hg8 N4 -","2","0.5","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.07","0.0411","","","0.0896","0.0994","","","","","","1.025","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202781","4.0533","0.0009","17.987","0.004","13.77","0.003","90","","90.315","0.005","90","","1003.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C5 H3 Br2 Cl2 Hg N -","- C5 H3 Br2 Cl2 Hg N -","- C20 H12 Br8 Cl8 Hg4 N4 -","4","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0709","0.0412","","","0.0893","0.0996","","","","","","1.009","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202782","4.0004","0.0011","14.637","0.004","14.682","0.004","86.845","0.005","84.25","0.005","82.925","0.005","848.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 5","","","- C10 H6 Br6 Hg N2 -","- C10 H6 Br6 Hg N2 -","- C20 H12 Br12 Hg2 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.1286","0.057","","","0.1063","0.129","","","","","","0.958","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202783","8.0661","0.0008","8.8122","0.0008","12.985","0.0012","79.354","0.002","86.643","0.002","74.281","0.003","873.13","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 6","","","- C14 H18 Br2 Hg N2 -","- C14 H18 Br2 Hg N2 -","- C28 H36 Br4 Hg2 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0955","0.0521","","","0.1049","0.1221","","","","","","1.017","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202784","30.27","0.007","4.2661","0.001","18.671","0.004","90","","115.47","0.004","90","","2176.7","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 7","","","- C5 H3 Cl2 Hg I2 N -","- C5 H3 Cl2 Hg I2 N -","- C40 H24 Cl16 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0433","0.0341","","","0.0689","0.0716","","","","","","1.037","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202785","31.509","0.004","4.3075","0.0005","19.009","0.002","90","","115.703","0.002","90","","2324.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","","","- C5 H3 Br2 Hg I2 N -","- C5 H3 Br2 Hg I2 N -","- C40 H24 Br16 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0583","0.0386","","","0.0767","0.0824","","","","","","1.03","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202786","31.055","0.003","4.3117","0.0004","19.1185","0.0018","90","","115.52","0.002","90","","2310.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 9a","","","- C7 H9 Hg I2 N -","- C7 H9 Hg I2 N -","- C56 H72 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0724","0.0418","","","0.0919","0.1025","","","","","","0.987","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202787","8.2309","0.0006","9.1784","0.0007","13.092","0.001","79.229","0.003","88.173","0.003","74.877","0.003","937.83","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 9b","","","- C14 H18 Hg I2 N2 -","- C14 H18 Hg I2 N2 -","- C28 H36 Hg2 I4 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0944","0.0456","","","0.0886","0.1042","","","","","","0.968","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202789","9.1435","0.0016","11.0699","0.0019","15.513","0.003","80.882","0.003","80.403","0.003","86.436","0.003","1527.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F12 Hg N11 O2 P2 -","- C20 H21 F12 Hg N11 O2 P2 -","- C40 H42 F24 Hg2 N22 O4 P4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0367","0.0304","","","0.0747","0.0768","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202790","8.6944","0.0006","13.1067","0.0011","13.2853","0.0009","77.141","0.006","87.457","0.007","77.036","0.006","1438.31","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 F12 Hg N10 O2 P2 -","- C18 H18 F12 Hg N10 O2 P2 -","- C36 H36 F24 Hg2 N20 O4 P4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0617","0.0529","","","0.122","0.125","","","","","","1.212","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202791","8.6505","0.0004","12.0994","0.0005","12.9051","0.0006","81.206","0.001","77.8","0.001","87.34","0.001","1304.56","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 B2 F8 Hg N10 O2 -","- C18 H18 B2 F8 Hg N10 O2 -","- C36 H36 B4 F16 Hg2 N20 O4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0291","0.0271","","","0.0803","0.0816","","","","","","1.046","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202792","18.305","0.002","11.4053","0.0013","7.8859","0.0009","90","","91.556","0.002","90","","1645.8","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Ag F6 N10 O4 P S2 -","- C22 H34 Ag F6 N10 O4 P S2 -","- C44 H68 Ag2 F12 N20 O8 P2 S4 -","2","0.5","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0893","0.0468","","","0.1364","0.1675","","","","","","1.065","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202793","5.3605","0.0003","8.1395","0.0004","8.8621","0.0005","84.19","0.004","73.687","0.005","88.389","0.005","369.2","0.04","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","1","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0228","0.0205","","","0.0591","0.0597","","","","","","1.113","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202794","7.5615","0.0006","9.542","0.0008","19.8392","0.0016","90","","90","","90","","1431.4","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 Cl4 N2 -","- C12 H12 Cl4 N2 -","- C48 H48 Cl16 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0684","0.0344","","","0.0643","0.0935","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202795","7.5938","0.0002","9.5918","0.0003","20.0837","0.0007","90","","90","","90","","1462.86","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C56 H72 Cl8 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0243","0.0209","","","0.05","0.0505","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202796","8.1288","0.0006","8.0393","0.0005","45.532","0.003","90","","90","","90","","2975.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C112 H144 Cl16 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0774","0.0434","","","0.0992","0.1254","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202797","16.221","0.002","16.221","0.002","6.7461","0.0012","90","","90","","90","","1775","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C16 H22 Cl2 N2 O2 -","- C16 H22 Cl2 N2 O2 -","- C64 H88 Cl8 N8 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.1268","0.0739","","","0.1799","0.2093","","","","","","1.004","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202798","14.938","0.002","5.2272","0.0008","13.1403","0.0016","90","","109.792","0.013","90","","965.4","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 N2 O3 -","- C12 H16 Cl6 N2 O3 -","- C24 H32 Cl12 N4 O6 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0673","0.0284","","","0.0504","0.0541","","","","","","0.789","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202799","21.716","0.0018","21.6971","0.0016","7.6449","0.0006","90","","93.524","0.006","90","","3595.3","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Cl8 N8 O4 -","- C24 H42 Cl8 N8 O4 -","- C96 H168 Cl32 N32 O16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0982","0.0345","","","0.0689","0.0834","","","","","","0.769","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202800","29.02","0.003","7.2098","0.0007","7.345","0.0007","90","","94.869","0.008","90","","1531.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 F8 N2 O2 -","- C12 H10 Cl2 F8 N2 O2 -","- C48 H40 Cl8 F32 N8 O8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0421","0.0265","","","0.0664","0.0747","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202801","12.8813","0.0006","7.2351","0.0002","15.5983","0.0008","90","","101.215","0.004","90","","1425.96","0.11","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl F8 N2 O -","- C13 H9 Cl F8 N2 O -","- C52 H36 Cl4 F32 N8 O4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0301","0.0241","","","0.0709","0.0721","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202802","10.7907","0.0004","8.9839","0.0004","23.175","0.0008","90","","90","","90","","2246.64","0.15","104","2","104","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H4 F8 N2 -","- C12 H4 F8 N2 -","- C96 H32 F64 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.04","0.0273","","","0.0802","0.0823","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202803","23.811","0.006","6.1672","0.0014","4.9037","0.0013","90","","100.84","0.02","90","","707.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C28 H36 Cl4 N4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.034","0.0284","","","0.0732","0.0747","","","","","","1.073","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202804","12.336","0.003","13.411","0.003","22.475","0.005","76.27","0.03","75.26","0.03","67.95","0.03","3290.9","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 La4 N8 O40 -","- C58 H26 La4 N8 O40 -","- C116 H52 La8 N16 O80 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0446","0.0278","","","0.0735","0.0889","","","","","","1.038","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202805","12.275","0.003","13.386","0.003","22.313","0.005","76.23","0.03","75.33","0.03","68.03","0.03","3247","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 N8 O40 Pr4 -","- C58 H26 N8 O40 Pr4 -","- C116 H52 N16 O80 Pr8 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0454","0.0346","","","0.0985","0.1064","","","","","","1.096","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202806","9.798","0.002","10.729","0.002","13.238","0.003","94.33","0.03","102.05","0.03","115.42","0.03","1207.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 La N3 O14 -","- C21 H11 La N3 O14 -","- C42 H22 La2 N6 O28 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0587","0.0474","","","0.1305","0.1353","","","","","","0.999","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202807","9.978","0.002","10.9","0.002","13.237","0.003","74.72","0.03","78.43","0.03","62.9","0.03","1230.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 O16 Pr -","- C21 H11 N3 O16 Pr -","- C42 H22 N6 O32 Pr2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0458","0.0425","","","0.1145","0.1171","","","","","","1.114","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202808","9.885","0.002","10.786","0.002","13.178","0.003","94.95","0.03","101.36","0.03","116.45","0.03","1208.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 Nd O16 -","- C21 H11 N3 Nd O16 -","- C42 H22 N6 Nd2 O32 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0424","0.0383","","","0.1067","0.1128","","","","","","0.937","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202809","8.6638","0.0017","9.3886","0.0019","13.781","0.003","85.33","0.03","78.1","0.03","74.43","0.03","1056.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Sm -","- C21 H11 N3 O12 Sm -","- C42 H22 N6 O24 Sm2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0472","0.0363","","","0.0946","0.109","","","","","","1.065","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202810","8.6559","0.0017","9.3993","0.0019","13.812","0.003","85.16","0.03","78.16","0.03","74.51","0.03","1059.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Eu N3 O12 -","- C21 H11 Eu N3 O12 -","- C42 H22 Eu2 N6 O24 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0238","0.0219","","","0.0639","0.0808","","","","","","1.082","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202811","8.6598","0.0017","9.3878","0.0019","13.796","0.003","85.1","0.03","78.24","0.03","74.21","0.03","1056.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Tb -","- C21 H11 N3 O12 Tb -","- C42 H22 N6 O24 Tb2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0318","0.0293","","","0.1037","0.1074","","","","","","1.078","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202812","8.6712","0.0017","9.3753","0.0019","13.804","0.003","84.93","0.03","77.99","0.03","73.92","0.03","1054.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Ho N3 O12 -","- C21 H11 Ho N3 O12 -","- C42 H22 Ho2 N6 O24 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0253","0.0228","","","0.0737","0.0794","","","","","","1.042","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202813","8.6721","0.0017","9.3671","0.0019","13.849","0.003","84.74","0.03","77.93","0.03","73.63","0.03","1054.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Yb -","- C21 H11 N3 O12 Yb -","- C42 H22 N6 O24 Yb2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0504","0.0392","","","0.1123","0.1346","","","","","","1.066","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202814","12.277","0.002","16.356","0.002","23.341","0.004","90","","90","","90","","4686.9","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl O3 P2 -","- C24 H25 Cl O3 P2 -","- C192 H200 Cl8 O24 P16 -","8","1","","Mátyás Czugler; Tamás Körtvélyesi; László Fábián; Melinda Sipos; György Keglevich","Intra- and intermolecular interactions and water pincer in the crystal structure of a 3-P(O)Ph2 substituted 1,2,3,6-tetrahydrophosphinine oxide hydrate","CrystEngComm","2007","9","7","561","","10.1039/b702137b","","","0.7107","MoKα","","0.0466","0.0368","","","0.0979","0.1021","","","","","","1.066","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202815","13.941","0.003","15.075","0.003","15.075","0.003","82.15","0.03","87.23","0.03","87.23","0.03","3132","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cu2 N2 O8 -","- C38 H24 Cu2 N2 O8 -","- C76 H48 Cu4 N4 O16 -","2","1","","Pichon, Anne; Fierro, Claudio Mendicute; Nieuwenhuyzen, Mark; James, Stuart L.","A pillared-grid MOF with large pores based on the Cu2(O2CR)4 paddle-wheel","CrystEngComm","2007","9","6","449","","10.1039/b702176c","","","0.71073","MoKα","","0.2103","0.1425","","","0.3683","0.4106","","","","","","1.088","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202816","8.6425","0.0017","13.656","0.003","11.778","0.002","90","","109.65","0.03","90","","1309.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1191","0.0597","","","0.1321","0.1508","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202817","13.241","0.003","7.9263","0.0016","13.576","0.003","90","","110.66","0.03","90","","1333.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0722","0.0482","","","0.1292","0.1378","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202818","7.6682","0.0006","12.761","0.001","16.8947","0.0012","90","","90","","90","","1653.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N3 O6 -","- C14 H18 Cl N3 O6 -","- C56 H72 Cl4 N12 O24 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.088","0.0675","","","0.1912","0.2157","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202819","10.0234","0.0017","10.8158","0.0018","14.61","0.002","90","","99.832","0.003","90","","1560.6","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C56 H72 N16 O20 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0441","0.0354","","","0.0977","0.1021","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202820","14.118","0.003","16.665","0.003","25.163","0.005","90","","90","","90","","5920","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N6 O6 S -","- C28 H32 N6 O6 S -","- C224 H256 N48 O48 S8 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1799","0.0532","","","0.1272","0.1567","","","","","","0.797","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202821","11.659","0.002","12.283","0.003","21.669","0.004","90","","90","","90","","3103.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl N3 O5 -","- C14 H16 Cl N3 O5 -","- C112 H128 Cl8 N24 O40 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1432","0.0567","","","0.1642","0.1922","","","","","","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202824","14.2158","0.0004","14.2158","0.0004","9.4244","0.0002","90","","90","","120","","1649.4","0.07","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.06","0.0575","","","0.2134","0.2173","","","","","","1.257","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202825","14.311","0.002","14.311","0.002","9.5165","0.0019","90","","90","","120","","1687.9","0.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3'-diol-H)cobalt(iii)","","","- C30 H21 Co N6 O6 -","- C30 H21 Co N6 O6 -","- C60 H42 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.1372","0.1321","","","0.454","0.4634","","","","","","2.358","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202826","14.1281","0.0003","14.1281","0.0003","9.4484","0.0002","90","","90","","120","","1633.26","0.06","30","2","30","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0798","0.0628","","","0.1927","0.2086","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202827","14.2706","0.0005","14.2706","0.0005","9.4516","0.0004","90","","90","","120","","1666.94","0.11","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) 1,2- dibromobenzene clathrate","","","- C36 H25 Br2 Co N6 O6 -","- C36 H21 Br2.04 Co N6 O6 -","- C72 H42 Br4.08 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0694","0.0495","","","0.125","0.1378","","","","","","1.054","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202828","13.1259","0.0003","13.1259","0.0003","22.2808","0.0006","90","","90","","90","","3838.74","0.16","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(2,2'-bipyridine-3,3'-diol -H)chlorocopper(ii)","","","- C10 H7 Cl Cu N2 O2 -","- C10 H7 Cl Cu N2 O2 -","- C160 H112 Cl16 Cu16 N32 O32 -","16","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0467","0.0364","","","0.0887","0.0949","","","","","","1.074","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202829","13.2775","0.0001","13.2775","0.0001","22.4184","0.0003","90","","90","","90","","3952.18","0.07","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(2,2'-bipyridine-3,3'-diol-H)bromocopper(ii)","","","- C10 H7 Br Cu N2 O2 -","- C10 H7 Br Cu N2 O2 -","- C160 H112 Br16 Cu16 N32 O32 -","16","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0562","0.0539","","","0.1403","0.1413","","","","","","1.287","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202830","9.196","0.0002","10.6603","0.0003","11.4383","0.0003","90","","103.196","0.001","90","","1091.71","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(2,2'-bipyridine-3,3'-diol-H)nitrocopper(ii)","","","- C10 H7 Cu N3 O5 -","- C10 H7 Cu N3 O5 -","- C40 H28 Cu4 N12 O20 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0376","0.0342","","","0.0944","0.0973","","","","","","1.035","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202831","6.4055","0.0013","9.589","0.002","13.479","0.005","78.22","0.03","86.37","0.03","73.407","0.015","776.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 F4 I2 N O2 -","- C13 H7 F4 I2 N O2 -","- C26 H14 F8 I4 N2 O4 -","2","1","","Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari","Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes","CrystEngComm","2007","9","5","341","","10.1039/b702512m","","","0.71073","MoKα","","0.0385","0.027","","","0.0415","0.0459","","","","","","1.118","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202832","4.1581","0.0004","10.7974","0.0008","12.7958","0.0019","91.102","0.011","97.913","0.012","90.912","0.008","568.81","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F4 I2 N2 O4 -","- C20 H14 F4 I2 N2 O4 -","- C20 H14 F4 I2 N2 O4 -","1","0.5","","Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari","Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes","CrystEngComm","2007","9","5","341","","10.1039/b702512m","","","0.71073","MoKα","","0.022","0.0163","","","0.0365","0.0404","","","","","","1.179","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202833","14.3627","0.0014","7.0254","0.0007","16.8441","0.0016","90","","98.104","0.002","90","","1682.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Hg N6 S2 -","- C14 H10 Hg N6 S2 -","- C56 H40 Hg4 N24 S8 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0174","0.0172","","","0.0425","0.0425","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202834","16.1971","0.0007","12.6635","0.0005","7.7778","0.0003","90","","95.58","0.001","90","","1587.76","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Hg N6 S2 -","- C14 H10 Hg N6 S2 -","- C56 H40 Hg4 N24 S8 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0241","0.022","","","0.0481","0.0553","","","","","","1.139","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202835","4.9173","0.0004","23.3133","0.0017","12.9459","0.0009","90","","93.332","0.001","90","","1481.59","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0295","0.0241","","","0.0532","0.0548","","","","","","1.041","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202836","8.3698","0.0011","14.932","0.002","11.9038","0.0016","90","","90","","90","","1487.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0323","0.0292","","","0.0761","0.0777","","","","","","1.059","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202837","4.0783","0.0008","9.1943","0.0017","11.753","0.002","87.235","0.003","88.002","0.003","85.696","0.003","438.73","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Br2 Hg N2 -","- C6 H5 Br2 Hg N2 -","- C12 H10 Br4 Hg2 N4 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0428","0.0408","","","0.1015","0.1026","","","","","","1.112","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202840","6.7478","0.0003","10.4917","0.0003","11.4993","0.0005","64.737","0.001","87.555","0.002","73.999","0.002","705.08","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag2 N7 O6 -","- C11 H8 Ag2 N7 O6 -","- C22 H16 Ag4 N14 O12 -","2","1","","Zhang, Jian; Shen, Yi-Cheng; Qin, Ye-Yan; Li, Zhao-Ji; Yao, Yuan-Gen","Polycatenated 3-connected hydrogen-bonding bilayer stabilized by argentophilic interactions","CrystEngComm","2007","9","8","636","","10.1039/b702972a","","","0.71073","MoKα","","","0.0246","","","0.06","0.0633","","","","","","1.108","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202846","12.148","0.001","12.386","0.002","22.901","0.004","87.67","0.01","87.14","0.01","83.88","0.01","3419.7","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.2866","0.07","","","0.0608","0.0936","","","","","","0.82","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202847","12.257","0.001","12.423","0.001","23.024","0.004","87.52","0.01","86.01","0.01","83.46","0.01","3472.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.2128","0.0729","","","0.1585","0.1931","","","","","","1.117","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202848","12.401","0.002","12.239","0.004","23.312","0.006","87.29","0.02","83.32","0.02","82.89","0.02","3485.2","1.6","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.3251","0.0604","","","0.0877","0.1174","","","","","","1","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202849","25.512","0.0005","25.512","0.0005","12.9978","0.0004","90","","90","","90","","8459.8","0.4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C69 H103 Ba Cl9 O20 U -","- C69 H98 Ba Cl9 O20 U -","- C276 H392 Ba4 Cl36 O80 U4 -","4","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0543","0.0456","","","0.1198","0.1238","","","","","","0.982","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202850","25.358","0.001","12.341","0.0009","23.866","0.0015","90","","114.062","0.004","90","","6819.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H80 Ba O18 U -","- C74 H80 Ba O18 U -","- C296 H320 Ba4 O72 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0765","0.0599","","","0.1524","0.1601","","","","","","1.031","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202851","13.4804","0.0006","29.3642","0.0017","21.7965","0.0012","90","","92.601","0.003","90","","8619.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 Ba Br6 Cl6 O26 U2 -","- C70 H78 Ba Br6 Cl6 O26 U2 -","- C280 H312 Ba4 Br24 Cl24 O104 U8 -","4","1","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.1189","0.0772","","","0.2277","0.2441","","","","","","1.081","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202852","15.223","0.003","18.754","0.003","16.684","0.003","90","","106.362","0.009","90","","4570.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Ba2 O22 S4 U2 -","- C78 H96 Ba2 O22 S4 U2 -","- C156 H192 Ba4 O44 S8 U4 -","2","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0954","0.0661","","","0.1727","0.1852","","","","","","0.939","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202853","12.0923","0.0007","24.6602","0.0009","25.5672","0.0016","90","","103.061","0.003","90","","7426.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H216 K4 O48 U2 -","- C132 H216 K4 O48 U2 -","- C264 H432 K8 O96 U4 -","2","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0785","0.0505","","","0.1124","0.1208","","","","","","1.057","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202854","11.508","0.0014","19.262","0.002","20.466","0.002","108.102","0.002","104.842","0.002","91.297","0.002","4142.3","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Cl2 N7 O16 Zn -","- C35 H42 Cl2 N7 O16 Zn -","- C140 H168 Cl8 N28 O64 Zn4 -","4","2","","Song, Hui-Hua; Ma, Bao-Qing","A well-resolved discrete dodecameric water cluster in a metal‒organic complex","CrystEngComm","2007","9","8","625","","10.1039/b703185h","","","0.71073","MoKα","","0.1147","0.0528","","","0.1174","0.1405","","","","","","0.942","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202855","16.5938","0.0007","15.1034","0.0006","18.0112","0.0004","90","","90","","90","","4514","0.3","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H44 Cu N4 O27 U2 -","- C32 H36 Cu N4 O27 U2 -","- C128 H144 Cu4 N16 O108 U8 -","4","1","","Pierre Thuéry","Uranyl citrate dimers as guests in a copper?bipyridine framework: a novel heterometallic inorganic?organic hybrid compound","CrystEngComm","2007","9","5","358","","10.1039/b703227g","","","0.71073","MoKα","","0.0537","0.0472","","","0.1201","0.1232","","","","","","1.086","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202856","12.7819","0.0006","12.7819","0.0006","85.294","0.004","90","","90","","120","","12068.1","1","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H72 N Nd7 O61 -","- C42 H40 N Nd7 O60 -","- C252 H240 N6 Nd42 O360 -","6","0.5","","Pierre Thuéry","Neodymium(iii) d(?)-citramalate: a chiral three-dimensional framework with water-filled channels","CrystEngComm","2007","9","6","460","","10.1039/b703230g","","","0.71073","MoKα","","0.081","0.0516","","","0.1146","0.1266","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202857","6.7431","0.0005","8.0503","0.0006","13.8001","0.001","77.722","0.003","88.476","0.002","66.354","0.002","669.09","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","5-Chloro-2(3H)-benzoxazolone 2,4-dihydroxybenzoic acid","5-Chloro-2(3H)-benzoxazolone 2,4-dihydroxybenzoic acid","","- C14 H10 Cl N O6 -","- C14 H10 Cl N O6 -","- C28 H20 Cl2 N2 O12 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of chlorzoxazone with carboxylic acids","CrystEngComm","2007","9","5","364","","10.1039/b703292g","","","1.54178","CuKα","","0.0465","0.0413","","","0.0991","0.1023","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202859","41.574","0.008","5.7944","0.0011","16.876","0.003","90","","109.095","0.003","90","","3841.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Co N4 O12 -","- C42 H42 Co N4 O12 -","- C168 H168 Co4 N16 O48 -","4","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1319","0.0634","","","0.1524","0.1945","","","","","","1.008","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202860","13.931","0.002","21.777","0.002","35.14","0.006","90","","90","","90","","10661","3","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H28 Co N3 O7 -","- C27 H28 Co N3 O7 -","- C432 H448 Co16 N48 O112 -","16","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.7107","MoKα","","0.0764","0.0721","","","0.137","0.1386","","","","","","1.307","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202861","4.7808","0.0016","9.229","0.003","18.829","0.007","91.954","0.006","95.509","0.006","99.022","0.005","815.7","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co N4 O10 -","- C38 H30 Co N4 O10 -","- C38 H30 Co N4 O10 -","1","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0757","0.0544","","","0.1299","0.145","","","","","","1.104","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202862","7.6417","0.0019","10.106","0.003","10.638","0.003","93.557","0.004","101.146","0.004","101.551","0.004","785.4","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co2 N2 O18 -","- C28 H36 Co2 N2 O18 -","- C28 H36 Co2 N2 O18 -","1","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0686","0.0384","","","0.083","0.0958","","","","","","1.025","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202863","11.2742","0.0008","11.2742","0.0008","13.5885","0.0019","90","","90","","120","","1495.8","0.3","294","2","294","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C19 H18 N2 Ni O7 -","- C19 H18 N2 Ni O7 -","- C57 H54 N6 Ni3 O21 -","3","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0367","0.0303","","","0.0697","0.0718","","","","","","1.044","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202864","13.8794","0.0018","21.611","0.004","35.005","0.005","90","","90","","90","","10500","3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H28 N3 Ni O7 -","- C27 H28 N3 Ni O7 -","- C432 H448 N48 Ni16 O112 -","16","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0809","0.0622","","","0.1363","0.1447","","","","","","1.169","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202865","8.116","0.002","12.279","0.003","16.009","0.004","69.271","0.004","86.078","0.004","79.166","0.004","1465.5","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O11 Zn2 -","- C30 H26 N2 O11 Zn2 -","- C60 H52 N4 O22 Zn4 -","2","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1307","0.0533","","","0.0911","0.1223","","","","","","1.031","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202866","30.931","0.008","9.8752","0.0013","20.37","0.003","90","","149.31","0.006","90","","3175.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N O5.5 Zn -","- C16.5 H16 N O5.5 Zn -","- C132 H128 N8 O44 Zn8 -","8","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.7107","MoKα","","0.0549","0.0464","","","0.1222","0.1296","","","","","","1.085","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202867","20.595","0.004","15.012","0.003","10.363","0.002","90","","93.967","0.004","90","","3196.3","1.1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N O5.5 Zn -","- C16.5 H16 N O5.5 Zn -","- C132 H128 N8 O44 Zn8 -","8","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1035","0.0432","","","0.0763","0.0948","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202868","12.8373","0.0014","11.8355","0.0013","16.975","0.002","90","","90","","90","","2579.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.2955","0.0523","","","0.0918","0.1452","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202869","6.7539","0.0009","9.3441","0.0012","11.4902","0.0015","89.773","0.003","81.497","0.003","88.363","0.003","716.87","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br Cu N3 O2 -","- C14 H12 Br Cu N3 O2 -","- C28 H24 Br2 Cu2 N6 O4 -","2","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1337","0.0491","","","0.0835","0.1028","","","","","","0.752","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202870","12.598","0.004","18.483","0.006","10.818","0.004","90","","90","","90","","2519","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H24 N6 O4 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1166","0.0512","","","0.0691","0.0788","","","","","","0.889","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202877","8.827","0.003","11.675","0.004","21.16","0.007","96.847","0.006","100.776","0.006","102.133","0.006","2065.6","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Ru(tpypy)2Ag(NO3)(MeCN)](NO3)2.H2O.MeCN","","","- C44 H36 Ag N13 O10 Ru -","- C46 H31 Ag N12 O10 Ru -","- C92 H62 Ag2 N24 O20 Ru2 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Price, David J.","The first example of a coordination polymer from the expanded 4,4'-bipyridine ligand [Ru(pytpy)~2~]^2+^(pytpy = 4'-(4-pyridyl)-2,2':6',2''-terpyridine)","CrystEngComm","2007","9","6","456","459","10.1039/b703622a","","","0.71073","MoKα","","0.0622","0.0465","","","0.1289","0.1399","","","","","","1.041","","","","has coordinates","275106","2022-05-06","14:46:46",""
"7202881","9.2018","0.0018","12.148","0.002","24.678","0.005","84.98","0.03","84.63","0.03","70.99","0.03","2591.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cl2 Cu2 N10 O15 -","- C44 H56 Cl2 Cu2 N10 O15 -","- C88 H112 Cl4 Cu4 N20 O30 -","2","1","","Zhang, Jian-Ying; Liu, Cai-Ming; Zhang, De-Qing; Gao, Song; Zhu, Dao-Ben","Magnetic properties tuned by oxamido bridging ligand derivatives in two new hybrid organic inorganic nitronyl nitroxide copper(ii) complexes","CrystEngComm","2007","9","9","799","","10.1039/b704127f","","","0.71073","MoKα","","0.092","0.0607","","","0.1502","0.1633","","","","","","0.942","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202882","16.254","0.003","13.211","0.003","11.776","0.002","90","","108.4","0.03","90","","2399.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cl2 Cu2 N10 O14 -","- C42 H52 Cl2 Cu2 N10 O14 -","- C84 H104 Cl4 Cu4 N20 O28 -","2","0.5","","Zhang, Jian-Ying; Liu, Cai-Ming; Zhang, De-Qing; Gao, Song; Zhu, Dao-Ben","Magnetic properties tuned by oxamido bridging ligand derivatives in two new hybrid organic inorganic nitronyl nitroxide copper(ii) complexes","CrystEngComm","2007","9","9","799","","10.1039/b704127f","","","0.71073","MoKα","","0.0924","0.0615","","","0.1604","0.1805","","","","","","1.032","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202883","13.0204","0.001","20.3203","0.0014","15.8814","0.0011","90","","90","","90","","4201.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H34 N4 O17 Zn2 -","- C44 H32 N4 O17 Zn2 -","- C176 H128 N16 O68 Zn8 -","4","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0894","","","0.2378","0.2753","","","","","","1.099","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202884","13.017","0.002","12.495","0.0014","14.208","0.002","90","","108.619","0.007","90","","2189.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18.66 N2 O10.33 Zn2 -","- C20 H18 N2 O10.33 Zn2 -","- C80 H72 N8 O41.32 Zn8 -","4","1","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0513","","","0.1292","0.1376","","","","","","1.026","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202885","8.3945","0.0007","10.2207","0.0009","18.3523","0.0017","104.241","0.002","101.498","0.002","92.684","0.002","1487.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Cd3 N8 O20 -","- C60 H50 Cd3 N8 O20 -","- C60 H50 Cd3 N8 O20 -","1","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.1039","","","0.2013","0.2315","","","","","","1.111","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202886","11.5513","0.0004","12.2888","0.0004","13.3152","0.0005","64.541","0.001","72.497","0.001","62.539","0.001","1501.83","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22.67 Cd2 N4 O8.34 -","- C34 H22 Cd2 N4 O8.33 -","- C68 H44 Cd4 N8 O16.66 -","2","1","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.047","","","0.1415","0.1586","","","","","","1.006","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202887","9.424","0.018","14.37","0.03","15.4","0.03","90","","104.87","0.06","90","","2016","7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H60 N8 O34 Zn8 -","- C80 H52 N8 O34 Zn8 -","- C80 H52 N8 O34 Zn8 -","1","0.25","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0482","","","0.1286","0.1374","","","","","","1.097","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202888","5.9566","0.00013","7.0989","0.00015","7.1164","0.00015","109.5","0.017","98.39","0.017","114.69","0.017","243","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H4 I Na O2 -","- H4 I Na O2 -","- H8 I2 Na2 O4 -","2","1","","Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","Energy aspect of the chemical bonding peculiarities in the crystal of sodium iodide dihydrate","CrystEngComm","2007","9","8","632","","10.1039/b704326k","","","0.71073","MoKα","","0.0173","0.0166","","","0.0425","0.043","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202891","16.634","0.002","16.634","0.002","11.234","0.002","90","","90","","120","","2691.9","0.7","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C84 H99 N15 Ni3 O27 -","- C57.012 H33.012 N6 Ni3 O18 -","- C57.012 H33.012 N6 Ni3 O18 -","1","0.0833333","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan","Design and construction of a microporous metal?organic framework based on the pillared-layer motif","CrystEngComm","2007","9","7","545","","10.1039/b704433j","","","0.71073","MoKα","","0.0505","0.0472","","","0.1188","0.1206","","","","","","1.086","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202892","16.609","0.002","16.609","0.002","14.325","0.003","90","","90","","120","","3422.3","0.9","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C15 H17 N2 Ni O8 -","- C15 H17 N2 Ni O8 -","- C90 H102 N12 Ni6 O48 -","6","0.25","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan","Design and construction of a microporous metal?organic framework based on the pillared-layer motif","CrystEngComm","2007","9","7","545","","10.1039/b704433j","","","0.71073","MoKα","","0.0586","0.0511","","","0.1416","0.1469","","","","","","1.193","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202893","7.2636","0.0018","10.409","0.003","11.639","0.003","100.486","0.003","101.062","0.003","95.619","0.003","841.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9.5 Ag Eu N2.5 O9 -","- C17 H6 Ag Eu N2.5 O9 -","- C34 H12 Ag2 Eu2 N5 O18 -","2","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0319","0.0308","","","0.0787","0.0794","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202894","7.35","0.003","10.453","0.004","11.652","0.004","100.265","0.005","101.038","0.004","96.057","0.005","855.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9.5 Ag N2.5 Nd O9 -","- C17 H6 Ag N2.5 Nd O9 -","- C34 H12 Ag2 N5 Nd2 O18 -","2","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0708","0.0515","","","0.1171","0.1282","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202895","20.07","0.004","8.8346","0.0019","22.339","0.005","90","","90","","90","","3960.9","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag N3 Nd O7.5 -","- C18 H11 Ag N3 Nd O7.5 -","- C144 H88 Ag8 N24 Nd8 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0599","0.0338","","","0.0721","0.0818","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202896","19.954","0.002","8.8187","0.0009","22.344","0.002","90","","90","","90","","3931.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag Eu N3 O7.5 -","- C18 H11 Ag Eu N3 O7.5 -","- C144 H88 Ag8 Eu8 N24 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0553","0.0584","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202897","4.229","0.0008","14.112","0.003","23.312","0.005","90","","90","","90","","1391.3","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F3 I2 N -","- C13 H6 F3 I2 N -","- C52 H24 F12 I8 N4 -","4","1","","André C. B. Lucassen; Tatiana Zubkov; Linda J. W. Shimon; Milko E. van der Boom","Design, synthesis and crystal structure of a multiple donor?acceptor halogen bonded stilbazole: assembly of unimolecular interconnected helices","CrystEngComm","2007","9","7","538","","10.1039/b704569g","","","0.71073","MoKα","","0.0382","0.0294","","","0.0588","0.0613","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202898","24.2053","0.0005","3.7445","0.0001","20.9542","0.0007","90","","121.315","0.0011","90","","1622.55","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Pyridyl)malondialdehyde Sesquihydrate","","- C8 H10 N O3.5 -","- C8 H10 N O3.5 -","- C64 H80 N8 O28 -","8","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, Jim A.; Halcrow, Malcolm A.","Zwitterionic 2-(4-pyridyl)malondialdehyde sesquihydrate forms a helical, 3-D hydrogen-bonded lattice","CrystEngComm","2007","9","5","361","","10.1039/b704626j","","","0.71073","MoKα","","0.0753","0.0534","","","0.136","0.1556","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202899","9.6313","0.0009","10.9526","0.001","11.6996","0.0012","66.761","0.009","79.294","0.008","68.581","0.009","1054.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 F6 N2 P -","- C21 H21 F6 N2 P -","- C42 H42 F12 N4 P2 -","2","1","","Ruiz, Blanca; Coe, Benjamin J.; Gianotti, Reto; Gramlich, Volker; Jazbinsek, Mojca; Günter, Peter","Polymorphism, crystal growth and characterization of an organic nonlinear optical material: DAPSH","CrystEngComm","2007","9","9","772","","10.1039/b704737a","","","0.71073","MoKα","","0.108","0.0861","","","0.2592","0.2887","","","","","","1.106","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202900","23.264","0.002","7.6256","0.001","35.89","0.004","90","","105.85","0.009","90","","6124.9","1.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 F6 N2 O0 P -","- C21 H21 F6 N2 P -","- C252 H252 F72 N24 P12 -","12","3","","Ruiz, Blanca; Coe, Benjamin J.; Gianotti, Reto; Gramlich, Volker; Jazbinsek, Mojca; Günter, Peter","Polymorphism, crystal growth and characterization of an organic nonlinear optical material: DAPSH","CrystEngComm","2007","9","9","772","","10.1039/b704737a","","","0.71073","MoKα","","0.3874","0.1553","","","0.3409","0.4715","","","","","","0.969","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202906","7.0693","0.0002","9.4904","0.0003","17.7697","0.0004","90","","90.844","0.002","90","","1192.05","0.06","120","2","120","2","","","","","","","Pepe","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 B9 Co -","- C7 H16 B9 Co -","- C28 H64 B36 Co4 -","4","1","","Planas, José Giner; Viñas, Clara; Teixidor, Francesc; Light, Mark E.; Hursthouse, Michael B.","Polymorphism and phase transformations in cobaltacarborane molecular crystals","CrystEngComm","2007","9","10","888","","10.1039/b704833e","","","0.71073","MoKα","","0.038","0.0318","","","0.0942","0.1005","","","","","","1.017","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202909","11.5009","0.0008","9.8934","0.0005","14.9322","0.0011","90","","112.168","0.001","90","","1573.44","0.18","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.0425","0.0389","","","0.091","0.0939","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202910","10.146","0.002","17.455","0.002","12.088","0.002","90","","110.9","0.02","90","","1999.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","","- C24 H26 O4 -","- C24 H25.364 O4 -","- C96 H101.456 O16 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.71073","MoKα","","0.0915","0.0532","","","0.1282","0.1452","","","","","","0.937","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202911","10.263","0.004","12.628","0.004","17.701","0.006","93.276","0.004","96.005","0.003","107.958","0.005","2160.6","1.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","2","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.066","0.048","","","0.1308","0.1392","","","","","","1.102","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202914","5.9129","0.0007","13.4826","0.0016","15.6657","0.0018","72.973","0.002","79.228","0.002","83.562","0.002","1170.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0972","0.0607","","","0.138","0.1688","","","","","","1.049","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202915","36.231","0.003","5.5605","0.0005","12.3394","0.0011","90","","92.661","0.002","90","","2483.2","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0453","0.0417","","","0.1031","0.1057","","","","","","1.039","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202916","36.599","0.006","5.6822","0.0009","12.545","0.002","90","","90.891","0.003","90","","2608.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H34 N2 O3 -","- C30 H33 N2 O3 -","- C120 H132 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.1499","0.0779","","","0.1861","0.2262","","","","","","1.043","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202917","36.751","0.008","5.6734","0.0012","12.304","0.003","90","","90.865","0.007","90","","2565.1","1","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H29 N2 O3 -","- C31 H35 N2 O3 -","- C124 H140 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.115","0.0874","","","0.229","0.2541","","","","","","1.024","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202918","12.2472","0.0013","5.6733","0.0006","20.771","0.002","90","","105.388","0.002","90","","1391.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0649","0.0547","","","0.1117","0.117","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202919","7.7477","0.0008","18.698","0.002","5.7744","0.0006","90","","90","","90","","836.52","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0259","0.0244","","","0.0614","0.062","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202920","9.3424","0.0011","6.7836","0.0008","13.9741","0.0017","90","","100.688","0.002","90","","870.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0359","0.0279","","","0.0712","0.076","","","","","","1.098","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202921","9.3365","0.0011","6.7815","0.0008","13.9607","0.0016","90","","100.704","0.002","90","","868.55","0.18","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0323","0.0256","","","0.0639","0.0675","","","","","","1.008","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202922","7.6827","0.0006","18.7212","0.0014","5.7833","0.0004","90","","90","","90","","831.81","0.11","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0213","0.0207","","","0.0554","0.0556","","","","","","1.089","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202923","8.3945","0.0008","15.806","0.0016","14.8833","0.0015","90","","100.332","0.002","90","","1942.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Co N3 O11 -","- C15 H22 Co N3 O11 -","- C60 H88 Co4 N12 O44 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1179","0.1298","","","","","","1.006","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202924","8.8363","0.0013","10.4211","0.0016","10.8556","0.0016","78.769","0.003","75.255","0.003","68.71","0.003","894.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Co N3 O10 -","- C15 H20 Co N3 O10 -","- C30 H40 Co2 N6 O20 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.1037","0.065","","","0.1573","0.1989","","","","","","1.067","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202925","14.887","0.0013","11.8596","0.001","13.9457","0.0012","90","","115.344","0.001","90","","2225.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Co N3 O12 -","- C19 H26 Co N3 O12 -","- C76 H104 Co4 N12 O48 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.0564","0.0451","","","0.102","0.1067","","","","","","1.087","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202926","14.228","0.002","14.831","0.003","14.954","0.003","61.237","0.003","79.335","0.003","66.117","0.003","2529.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37 Co2 N6 O28 -","- C38 H37 Co2 N6 O28 -","- C76 H74 Co4 N12 O56 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.1492","0.0913","","","0.2158","0.2563","","","","","","1.05","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202927","7.4425","0.0011","14.654","0.002","14.796","0.003","114.311","0.01","102.45","0.011","95.86","0.014","1402.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co N2 O20 -","- C20 H32 Co N2 O20 -","- C40 H64 Co2 N4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0923","0.0615","","","0.1331","0.1532","","","","","","1.217","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202928","8.4119","0.0014","8.5298","0.0009","13.321","0.003","85.328","0.011","76.027","0.014","80.489","0.013","913.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Co N2 O12 -","- C15 H21 Co N2 O12 -","- C30 H42 Co2 N4 O24 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0692","0.0368","","","0.0665","0.0738","","","","","","1.007","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202929","7.6523","0.0008","9.522","0.001","10.7629","0.0008","112.019","0.006","92.828","0.007","100.95","0.009","707.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O14 -","- C30 H24 Co N4 O14 -","- C30 H24 Co N4 O14 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0319","0.0257","","","0.0607","0.0635","","","","","","1.133","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202930","10.9277","0.0009","11.1926","0.0006","12.7187","0.0009","90","","97.006","0.006","90","","1544","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Co N2 O9 -","- C15 H15 Co N2 O9 -","- C60 H60 Co4 N8 O36 -","4","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.1257","0.0594","","","0.0785","0.0923","","","","","","1.104","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202931","21.8492","0.0012","21.8492","0.0012","7.3635","0.0009","90","","90","","90","","3515.2","0.5","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Tetrakis-(4-sulfonatophenyl)methane","Tetrakis-(4-sulfonatophenyl)methane","","- C50 H32 O44 S8 -","- C50 H32 O44 S8 -","- C100 H64 O88 S16 -","2","0.125","","Sarma, Bipul; Nangia, Ashwini","Tetrakis(4-sulfophenyl)methane dodecahydrate. Reversible and selective water inclusion and release in an organic host","CrystEngComm","2007","9","8","628","","10.1039/b706194c","","","0.71073","MoKα","","0.1272","0.0818","","","0.1821","0.2067","","","","","","1.084","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202932","29.62","0.015","8.458","0.004","13.838","0.007","90","","90","","90","","3467","3","218","2","218","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H40 N4 O8 S8 Zn2 -","- C20 H40 N4 O8 S8 Zn2 -","- C80 H160 N16 O32 S32 Zn8 -","4","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.041","0.036","","","0.086","0.089","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202933","8.3821","0.0015","11.6432","0.0018","16.978","0.004","90","","102.926","0.005","90","","1615","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 O4 S8 Zn2 -","- C20 H39.14 N4 O4 S8 Zn2 -","- C40 H78.28 N8 O8 S16 Zn4 -","2","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.049","0.048","","","0.123","0.123","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202934","10.47","0.004","12.345","0.006","12.615","0.006","95.483","0.013","96.282","0.01","100.576","0.011","1582","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 N4 O5 S8 Zn2 -","- C17 H36 N4 O5 S8 Zn2 -","- C34 H72 N8 O10 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.087","0.069","","","0.151","0.163","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202935","11.249","0.004","13.214","0.005","15.581","0.006","105.335","0.003","105.092","0.004","93.881","0.005","2133.2","1.4","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N6 O8 S8 Zn2 -","- C30 H47.64 N6 O8 S8 Zn2 -","- C60 H95.28 N12 O16 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.07","0.05","","","0.106","0.118","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202936","11.074","0.006","13.249","0.005","15.35","0.006","104.546","0.007","107.095","0.015","92.74","0.008","2065.6","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N6 O4 S8 Zn2 -","- C30 H48 N6 O4 S8 Zn2 -","- C60 H96 N12 O8 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.064","0.059","","","0.162","0.168","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202937","9.5416","0.0018","11.309","0.002","11.418","0.002","75.64","0.004","73.016","0.004","85.238","0.004","1141.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 N6 O6 S8 Zn2 -","- C32 H56 N6 O6 S8 Zn2 -","- C32 H56 N6 O6 S8 Zn2 -","1","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.05","0.041","","","0.103","0.111","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202938","8.6591","0.0007","14.0066","0.0011","15.5984","0.0013","90","","97.409","0.002","90","","1876","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N6 O4 S8 Zn2 -","- C26 H40 N6 O4 S8 Zn2 -","- C52 H80 N12 O8 S16 Zn4 -","2","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.04","0.032","","","0.068","0.071","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202939","5.4669","0.0013","9.497","0.002","11.694","0.003","83.366","0.003","89.406","0.004","77.092","0.004","587.8","0.2","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O14 P4 -","- C14 H30 N4 O14 P4 -","- C14 H30 N4 O14 P4 -","1","0.5","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0579","0.0545","","","0.1569","0.1579","","","","","","1.172","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202940","7.0561","0.0006","9.9086","0.0008","13.0837","0.001","83.777","0.001","79.444","0.001","85.213","0.001","892.09","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N3 O8 P2 -","- C14 H19 N3 O8 P2 -","- C28 H38 N6 O16 P4 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0539","0.0482","","","0.1295","0.1356","","","","","","1.024","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202941","7.4045","0.0005","11.7344","0.0008","12.485","0.0008","74.149","0.001","85.389","0.001","72.903","0.001","997.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N3 O11 P3 -","- C13 H24 N3 O11 P3 -","- C26 H48 N6 O22 P6 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0388","0.035","","","0.0969","0.1004","","","","","","1.063","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202942","7.2243","0.0005","12.3575","0.0008","13.2057","0.0009","80.957","0.001","89.559","0.001","78.953","0.001","1142.4","0.13","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H28 N3 O13 P3 -","- C15 H26 N3 O13 P3 -","- C30 H52 N6 O26 P6 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0398","0.0373","","","0.1062","0.1083","","","","","","1.058","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202943","7.596","0.006","12.988","0.011","20.897","0.017","100.891","0.011","95.406","0.01","95.522","0.01","2002","3","143.1","","","","","","","","","","","4","P -1","-P 1","2","4-Amino-1-(3,5-bis-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-benzyl)-1H-pyrimidin-2-one 2-amino-9-butyl-1,9- dihydro-purin-6-one","","","- C36 H52 N12 O7 -","- C36 H51 N12 O7 -","- C72 H102 N24 O14 -","2","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Cytosine‒guanine base pairing in a hydrogen-bonded complex of stable open-shell molecules with S = 1 spins","CrystEngComm","2007","9","9","767","","10.1039/b706521n","","","0.7107","MoKα","","","0.0999","","","","0.2666","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202945","8.7001","0.0002","10.0485","0.0002","14.2342","0.0003","105.956","0.0012","94.3267","0.0012","107.717","0.0012","1122.38","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Ag Cl N2 O6 -","- C22 H22 Ag Cl N2 O6 -","- C44 H44 Ag2 Cl2 N4 O12 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0574","0.0355","","","0.0801","0.0892","","","","","","1.033","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202946","11.2181","0.0002","11.614","0.0001","13.7958","0.0002","77.7882","0.0005","81.4908","0.0005","76.7651","0.0005","1700.7","0.04","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H28 Ag F3 N4 O3 S -","- C41 H28 Ag F3 N4 O3 S -","- C82 H56 Ag2 F6 N8 O6 S2 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.036","0.0287","","","0.0686","0.0724","","","","","","1.003","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202947","13.729","0.0002","17.3654","0.0002","8.5825","0.0004","90","","90","","90","","2046.15","0.1","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42 H32 Ag2 B2 F8 N4 O3 -","- C42 H32 Ag2 B2 F8 N4 O3 -","- C84 H64 Ag4 B4 F16 N8 O6 -","2","0.5","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0331","0.0307","","","0.0773","0.0794","","","","","","1.075","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202948","11.1133","0.0003","12.2933","0.0002","13.1444","0.0003","74.591","0.0014","83.1028","0.0011","74.0146","0.0012","1662.15","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 Ag F3 N4 O2 -","- C42 H28 Ag F3 N4 O2 -","- C84 H56 Ag2 F6 N8 O4 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.038","0.0317","","","0.0705","0.074","","","","","","1.039","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202949","13.3039","0.0002","7.0004","0.0001","21.1996","0.0004","90","","96.5097","0.0007","90","","1961.64","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag2 N4 O6 -","- C20 H14 Ag2 N4 O6 -","- C80 H56 Ag8 N16 O24 -","4","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0469","0.0357","","","0.0849","0.0908","","","","","","1.085","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202950","10.6509","0.0005","15.9095","0.0008","7.248","0.0004","90","","93.044","0.005","90","","1226.44","0.11","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Hg N14 O2 -","- C24 H16 Hg N14 O2 -","- C48 H32 Hg2 N28 O4 -","2","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0351","0.0303","","","0.0744","0.079","","","","","","1.033","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202951","34.493","0.004","5.921","0.0007","18.57","0.002","90","","121.566","0.001","90","","3231.4","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Hg N6 O S2 -","- C14 H8 Hg N6 O S2 -","- C112 H64 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0402","0.0312","","","0.0744","0.078","","","","","","1.008","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202952","11.4448","0.001","22.0985","0.0019","8.4069","0.0007","90","","100.226","0.002","90","","2092.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Hg2 I4 N4 O -","- C12 H8 Hg2 I4 N4 O -","- C48 H32 Hg8 I16 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0623","0.0505","","","0.1091","0.1137","","","","","","1.108","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202953","5.2468","0.0006","21.221","0.002","13.2169","0.0014","90","","96.837","0.002","90","","1461.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br2 Hg N4 O -","- C12 H8 Br2 Hg N4 O -","- C48 H32 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0406","0.0362","","","0.0887","0.091","","","","","","1.056","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202954","5.9134","0.0008","18.776","0.002","13.2924","0.0017","90","","101.608","0.002","90","","1445.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Hg N6 O5 -","- C12 H8 Hg N6 O5 -","- C48 H32 Hg4 N24 O20 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0262","0.024","","","0.0585","0.0595","","","","","","1.101","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202955","15.3004","0.0005","15.3004","0.0005","43.667","0.003","90","","90","","120","","8853","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H5 Mn43 Na17 O144 P36 -","- Mn43 Na17 O144 P36 -","- Mn129 Na51 O432 P108 -","3","0.166667","","Wang, Jingping; Bi, Dongqin; Niu, Jingyang","A three-dimensional heterocluster containing manganese clusters and hexanuclear sodium wheels","CrystEngComm","2007","9","9","740","","10.1039/b707476j","","","0.71073","MoKα","","0.0353","0.0307","","","0.0709","0.0731","","","","","","1.047","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202956","12.143","0.004","12.325","0.004","13.869","0.004","99.008","0.012","96.572","0.012","95.481","0.013","2022.9","1.1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Au2 Cl4 F6 O4 P2 -","- C36 H28 Au2 Cl4 F6 O4 P2 -","- C72 H56 Au4 Cl8 F12 O8 P4 -","2","1","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0629","0.0558","","","0.1372","0.1424","","","","","","1.059","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202957","19.827","0.002","19.827","0.002","22.206","0.003","90","","90","","90","","8729.4","1.7","103","2","103","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C360 H272 Au16 Cl16 F48 N16 O32 P16 -","8","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0655","0.0634","","","0.136","0.1371","","","","","","1.207","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202958","10.0634","0.0014","21.126","0.003","22.728","0.004","90","","100.424","0.006","90","","4752.2","1.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H80 Au4 Cl4 F12 N4 O12 P4 -","- C94 H80 Au4 Cl4 F12 N4 O12 P4 -","- C188 H160 Au8 Cl8 F24 N8 O24 P8 -","2","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0486","0.0386","","","0.0801","0.0841","","","","","","1.037","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202959","6.7981","0.0008","7.1085","0.0009","9.5555","0.001","71.489","0.011","84.54","0.009","69.982","0.012","411.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia","New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers","CrystEngComm","2007","9","9","735","","10.1039/b707581b","","","0.71073","MoKα","","0.0701","0.0306","","","0.0546","0.0592","","","","","","0.74","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202960","9.7381","0.001","25.655","0.003","13.6416","0.0014","90","","105.04","0.009","90","","3291.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7-amino-4-methylcoumarin","7-amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C160 H144 N16 O32 -","16","2","","Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia","New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers","CrystEngComm","2007","9","9","735","","10.1039/b707581b","","","0.71073","MoKα","","0.1079","0.0513","","","0.114","0.133","","","","","","0.96","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202961","11.9869","0.001","12.7263","0.001","13.6184","0.0011","88.244","0.001","75.796","0.001","77.068","0.001","1962.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 Eu N4 O14 S3 -","- C39 H25 Eu N4 O14 S3 -","- C78 H50 Eu2 N8 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0354","0.031","","","0.0782","0.0799","","","","","","0.992","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202962","11.9725","0.001","12.7153","0.001","13.5923","0.0011","88.299","0.001","75.855","0.001","77.128","0.001","1955.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 Gd N4 O14 S3 -","- C39 H25 Gd N4 O14 S3 -","- C78 H50 Gd2 N8 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.034","0.0297","","","0.0741","0.0755","","","","","","1.007","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202963","12.048","0.001","12.767","0.001","13.6822","0.0011","88.259","0.001","75.781","0.001","77.032","0.001","1987.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 N4 Nd O14 S3 -","- C39 H25 N4 Nd O14 S3 -","- C78 H50 N8 Nd2 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0603","0.0374","","","0.0823","0.0918","","","","","","1.158","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202964","12.175","0.003","12.937","0.003","13.847","0.003","88.391","0.003","76.116","0.003","77.176","0.003","2063.7","0.8","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 N4 O14 S3 Tb -","- C39 H25 N4 O14 S3 Tb -","- C78 H50 N8 O28 S6 Tb2 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0431","0.0319","","","0.0773","0.0833","","","","","","1.045","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202965","10.7529","0.0013","12.5987","0.0015","13.7199","0.0016","83.876","0.002","68.643","0.002","75.372","0.002","1674.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Eu2 N8 O20 S4 -","- C68 H54 Eu2 N8 O20 S4 -","- C68 H54 Eu2 N8 O20 S4 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0497","0.0404","","","0.1084","0.1167","","","","","","1.045","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202966","10.6498","0.0013","12.6501","0.0016","13.682","0.002","84.05","0.003","68.256","0.002","75.975","0.002","1660.9","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Gd2 N8 O20 S4 -","- C68 H54 Gd2 N8 O20 S4 -","- C68 H54 Gd2 N8 O20 S4 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0538","0.0405","","","0.1054","0.1154","","","","","","1.046","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202967","10.685","0.003","12.699","0.004","13.698","0.004","84.405","0.004","68.237","0.004","75.866","0.004","1673.9","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 N8 O20 S4 Tb2 -","- C68 H58 N8 O20 S4 Tb2 -","- C68 H58 N8 O20 S4 Tb2 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.057","0.0432","","","0.1132","0.1223","","","","","","1.062","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202968","33.27","0.04","4.739","0.004","21.54","0.02","90","","127.46","0.01","90","","2696","5","223.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetra(n-butyl)tetracene, form A","","","- C34 H44 -","- C34 H44 -","- C136 H176 -","4","0.5","","Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo","Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene","CrystEngComm","2007","9","8","644","","10.1039/b707685c","","","0.7107","MoKα","","","0.0864","","","","0.1852","","","","","","1.196","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202969","5.392","0.006","8.66","0.01","15.19","0.02","101.41","0.03","98.8","0.04","99.35","0.06","673.4","1.4","223.2","","","","","","","","","","","2","P -1","-P 1","2","1,4,7,10-tetra(n-butyl)tetracene, form B","","","- C34 H44 -","- C34 H44 -","- C34 H44 -","1","0.5","","Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo","Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene","CrystEngComm","2007","9","8","644","","10.1039/b707685c","","","0.7107","MoKα","","","0.0845","","","","0.2089","","","","","","1.797","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202970","9.1441","0.0018","13.157","0.003","17.564","0.004","90","","95.04","0.03","90","","2104.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 S2 -","- C24 H18 N2 O4 S2 -","- C96 H72 N8 O16 S8 -","4","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.05","0.045","","","0.094","0.097","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202971","10.607","0.0002","12.3972","0.0002","17.3834","0.0004","90","","90.323","0.001","90","","2285.83","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O4 S2 -","- C26 H20 N2 O4 S2 -","- C104 H80 N8 O16 S8 -","4","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.056","0.037","","","0.097","0.115","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202972","28.8615","0.0009","10.188","0.0004","19.9562","0.0008","90","","125.715","0.002","90","","4764.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O4 S2 -","- C26 H22 N2 O4 S2 -","- C208 H176 N16 O32 S16 -","8","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.096","0.053","","","0.13","0.153","","","","","","1.06","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202973","7.5501","0.0015","9.0077","0.0018","18.787","0.004","88.56","0.03","81.33","0.03","74.86","0.03","1219.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O6 S2 -","- C26 H26 N2 O6 S2 -","- C52 H52 N4 O12 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.036","0.034","","","0.086","0.087","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202974","7.8072","0.0016","11.128","0.002","11.413","0.002","64.69","0.03","82.89","0.03","77.7","0.03","875.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N O5 S2 -","- C19 H16 N O5 S2 -","- C38 H32 N2 O10 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.069","0.061","","","0.109","0.112","","","","","","1.2","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202975","19.512","0.003","7.8294","0.0013","23.312","0.004","90","","102.726","0.004","90","","3473.8","1","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N2 O8 S4 -","- C40 H30 N2 O8 S4 -","- C160 H120 N8 O32 S16 -","4","0.5","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.048","0.042","","","0.092","0.095","","","","","","1.12","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202976","19.734","0.004","7.8916","0.0016","23.226","0.005","90","","100.8","0.03","90","","3553","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N O4 S2 -","- C20 H16 N O4 S2 -","- C160 H128 N8 O32 S16 -","8","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.041","0.04","","","0.093","0.094","","","","","","1.09","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202977","8.9817","0.0003","9.135","0.0002","12.9172","0.0005","93.469","0.002","90.466","0.002","97.325","0.002","1049.12","0.06","173","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N O5 S2 -","- C22 H22 N O5 S2 -","- C44 H44 N2 O10 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.08","0.055","","","0.157","0.178","","","","","","1.1","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202978","9.873","0.002","10.671","0.002","10.578","0.002","90","","104.58","0.03","90","","1078.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,3'-dinitro-2,2'-bipyridine-1-oxide","3,3'-dinitro-2,2'-bipyridine-1-oxide","","- C10 H6 N4 O5 -","- C10 H6 N4 O5 -","- C40 H24 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0677","0.0462","","","0.1145","0.1228","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202979","6.1226","0.0003","7.4847","0.0004","13.52","0.0008","102.825","0.0002","90.226","0.002","111.154","0.003","560.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3,3-Dinitro-2,2-bipyridine-1,1-dioxide","3,3-Dinitro-2,2-bipyridine-1,1-dioxide","","- C10 H6 N4 O6 -","- C10 H6 N4 O6 -","- C20 H12 N8 O12 -","2","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.097","0.057","","","0.1398","0.1578","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202980","8.167","0.0003","13.4699","0.0006","11.3597","0.0006","90","","94.7505","0.0016","90","","1245.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","5,5'-dimethyl-2,2'-bipyridine-1-oxide","5,5'-dimethyl-2,2'-bipyridine-1-oxide","","- C12 H10 N4 O5 -","- C12 H10 N4 O5 -","- C48 H40 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.082","0.0507","","","0.1352","0.1478","","","","","","0.943","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202981","12.044","0.004","7.544","0.003","15.093","0.005","90","","108.48","0.003","90","","1300.6","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide","5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide","","- C12 H10 N4 O6 -","- C12 H10 N4 O6 -","- C48 H40 N16 O24 -","4","0.5","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.064","0.0566","","","0.1499","0.1537","","","","","","1.09","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202982","7.8557","0.0006","8.813","0.0006","11.4793","0.001","90","","93.78","0.004","90","","793.01","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-nitroquinoline-1-oxide","8-nitroquinoline-1-oxide","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0559","0.0431","","","0.1067","0.1142","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202983","16.32","0.002","23.887","0.003","14.326","0.002","90","","106.433","0.002","90","","5356.7","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O8 -","- C29 H30 N2 O8 -","- C232 H240 N16 O64 -","8","2","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0973","0.0483","","","0.1195","0.1467","","","","","","1.017","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202984","9.087","0.002","13.014","0.003","13.168","0.003","87.749","0.003","89.854","0.003","80.647","0.003","1535.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Mn N2 O12 -","- C29 H36 Mn N2 O12 -","- C58 H72 Mn2 N4 O24 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0491","0.0399","","","0.1113","0.1162","","","","","","1.085","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202985","10.1125","0.0007","11.695","0.0008","27.4427","0.0018","90","","94.882","0.001","90","","3233.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cu N3 O10 -","- C32 H37 Cu N3 O10 -","- C128 H148 Cu4 N12 O40 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0421","0.0317","","","0.0841","0.0882","","","","","","1.062","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202986","28.323","0.002","11.0466","0.0008","20.5022","0.0016","90","","120.905","0.001","90","","5503.8","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H65 Cd N5 O15 -","- C50 H44 Cd N2 O12 -","- C200 H176 Cd4 N8 O48 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0538","0.0452","","","0.141","0.1472","","","","","","1.147","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202987","12.4015","0.0012","9.7313","0.0009","26.458","0.003","90","","96.289","0.001","90","","3173.8","0.6","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H29 N3 O7 Zn -","- C36 H29 N3 O7 Zn -","- C144 H116 N12 O28 Zn4 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0699","0.042","","","0.0999","0.1123","","","","","","1.05","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202988","15.742","0.0009","9.389","0.0005","22.7454","0.0013","90","","94.819","0.001","90","","3349.9","0.3","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H30 Cd N3 O7.5 -","- C36 H29 Cd N3 O7.5 -","- C144 H116 Cd4 N12 O30 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0367","0.028","","","0.072","0.0752","","","","","","1.03","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202989","15.649","0.002","22.963","0.004","11.545","0.003","90","","115.738","0.001","90","","3737.1","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Mn N4 O9 -","- C47 H36 Mn N4 O9 -","- C188 H144 Mn4 N16 O36 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0452","0.0312","","","0.0746","0.0795","","","","","","1.037","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202990","16.08","0.007","10.678","0.005","22.186","0.01","90","","101.95","0.007","90","","3727","3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cu N4 O9 -","- C41 H38 Cu N4 O9 -","- C164 H152 Cu4 N16 O36 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.116","0.0613","","","0.1643","0.1983","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202991","15.913","0.002","10.4978","0.0016","22.979","0.003","90","","102.159","0.002","90","","3752.6","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H34.5 N3.5 O8.5 Zn -","- C39.5 H34.5 N3.5 O8.5 Zn -","- C158 H138 N14 O34 Zn4 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0977","0.065","","","0.1935","0.2192","","","","","","1.067","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202992","11.8834","0.0019","15.273","0.002","19.365","0.003","90","","110.135","0.008","90","","3299.9","0.9","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H29 Cd N3 O7 -","- C38 H29 Cd N3 O7 -","- C152 H116 Cd4 N12 O28 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0437","0.0313","","","0.0822","0.0877","","","","","","1.039","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202993","14.6316","0.001","11.0803","0.0008","11.7201","0.0008","90","","108.242","0.001","90","","1804.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39 H36 Cu N4 O8 -","- C39 H36 Cu N4 O8 -","- C78 H72 Cu2 N8 O16 -","2","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0378","0.0321","","","0.0933","0.0969","","","","","","1.011","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202994","13.6265","0.0013","16.8941","0.0016","19.4796","0.0018","90","","107.239","0.001","90","","4282.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 Cd N4 O7 -","- C43 H32 Cd N4 O7 -","- C172 H128 Cd4 N16 O28 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0881","0.0555","","","0.1772","0.2012","","","","","","1.057","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203000","8.8638","0.0008","14.5474","0.0014","15.4248","0.0012","90","","121.174","0.004","90","","1701.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Ce N3 O10 S3 -","- C9 H14 Ce N3 O10 S3 -","- C36 H56 Ce4 N12 O40 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0642","0.0442","","","0.123","0.1333","","","","","","1.074","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203001","8.8231","0.0003","14.5403","0.0006","15.3938","0.0006","90","","121.052","0.001","90","","1691.88","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N3 O10 Pr S3 -","- C9 H14 N3 O10 Pr S3 -","- C36 H56 N12 O40 Pr4 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0605","0.0489","","","0.154","0.1671","","","","","","1.035","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203002","8.8368","0.0018","14.529","0.003","15.467","0.003","90","","121.3","0.03","90","","1696.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N3 Nd O10 S3 -","- C9 H14 N3 Nd O10 S3 -","- C36 H56 N12 Nd4 O40 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0842","0.0462","","","0.1549","0.172","","","","","","1.094","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203003","8.4178","0.0012","9.0262","0.0013","11.6753","0.0017","99.299","0.002","99.648","0.003","96.047","0.002","855","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 N3 O10 S3 Sm -","- C9 H14 N3 O10 S3 Sm -","- C18 H28 N6 O20 S6 Sm2 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0361","0.0324","","","0.0858","0.0885","","","","","","1.051","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203004","8.403","0.004","9.008","0.005","11.651","0.006","99.135","0.007","99.531","0.005","96.161","0.006","850.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Eu N3 O10 S3 -","- C9 H14 Eu N3 O10 S3 -","- C18 H28 Eu2 N6 O20 S6 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0496","0.0393","","","0.0908","0.096","","","","","","1.066","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203005","8.442","0.003","8.996","0.003","11.7","0.004","98.85","0.004","99.386","0.005","96.468","0.004","857.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 N3 O10 S3 Tb -","- C9 H14 N3 O10 S3 Tb -","- C18 H28 N6 O20 S6 Tb2 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0448","0.038","","","0.0944","0.0973","","","","","","1.012","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203006","8.575","0.003","10.879","0.004","10.988","0.004","70.103","0.004","86.18","0.005","79.849","0.005","948.7","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Dy2 N6 O24 S6 -","- C18 H36 Dy2 N6 O24 S6 -","- C18 H36 Dy2 N6 O24 S6 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0429","0.0361","","","0.092","0.0947","","","","","","1.087","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203007","8.5663","0.0011","10.8794","0.0015","10.9674","0.0015","70.289","0.002","86.198","0.002","79.714","0.002","946.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Er2 N6 O24 S6 -","- C18 H36 Er2 N6 O24 S6 -","- C18 H36 Er2 N6 O24 S6 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0322","0.0294","","","0.076","0.078","","","","","","1.032","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203008","8.535","0.005","10.872","0.006","10.939","0.006","70.189","0.008","86.112","0.01","79.489","0.008","938.9","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 N6 O24 S6 Yb2 -","- C18 H36 N6 O24 S6 Yb2 -","- C18 H36 N6 O24 S6 Yb2 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0594","0.0479","","","0.0858","0.0871","","","","","","1.043","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203009","35.243","0.005","35.243","0.005","5.1853","0.001","90","","90","","120","","5577.6","1.6","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15.4 H12 N2 O1.1 -","- C15.4 H12 N2 O1.1 -","- C277.2 H216 N36 O19.8 -","18","1","","Fabbiani, Francesca P. A.; Byrne, Lindsay T.; McKinnon, Joshua J.; Spackman, Mark A.","Solvent inclusion in the structural voids of form II carbamazepine: single-crystal X-ray diffraction, NMR spectroscopy and Hirshfeld surface analysis","CrystEngComm","2007","9","9","728","","10.1039/b708303n","","","0.71073","MoKα","","0.0688","0.0512","","0.1554","0.1482","0.1554","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203010","8.2799","0.0017","8.8747","0.0018","28.103","0.006","90","","95.03","0.03","90","","2057.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 B N O3 -","- C26 H22 B N O3 -","- C104 H88 B4 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.0689","0.0412","","","0.1047","0.1202","","","","","","0.903","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203011","13.1","0.003","8.6206","0.0017","18.923","0.004","90","","106.7","0.03","90","","2046.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B N O3 -","- C26 H22 B N O3 -","- C104 H88 B4 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.1195","0.0453","","","0.1029","0.1175","","","","","","0.812","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203012","9.802","0.002","22.74","0.005","11.474","0.002","90","","92.32","0.03","90","","2555.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B Cl3 N O3 -","- C27 H23 B Cl3 N O3 -","- C108 H92 B4 Cl12 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.1889","0.0648","","","0.161","0.2107","","","","","","0.79","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203013","9.848","0.003","9.927","0.003","11.596","0.003","70.257","0.005","65.314","0.004","71.302","0.004","947.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O6 -","- C20 H19 Mn N2 O6 -","- C40 H38 Mn2 N4 O12 -","2","1","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0417","0.0392","","","0.1039","0.1061","","","","","","0.973","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203014","25.896","0.002","11.0511","0.0009","17.3434","0.0015","90","","118.826","0.002","90","","4348.3","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N4 O16 Zn3 -","- C42 H36 N4 O16 Zn3 -","- C168 H144 N16 O64 Zn12 -","4","0.5","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0874","0.055","","","0.1284","0.1367","","","","","","1.083","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203015","8.6864","0.001","14.2414","0.0018","16.885","0.002","90","","100.046","0.003","90","","2056.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Co N2 O7 -","- C17 H18 Co N2 O7 -","- C68 H72 Co4 N8 O28 -","4","1","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0904","0.0562","","","0.0968","0.1022","","","","","","1.062","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203016","9.4861","0.0019","6.0392","0.0012","32.99","0.007","90","","95.82","0.03","90","","1880.2","0.7","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","N,N,4-tris(pyridin-2-ylmethyl)aniline","N,N,4-tris(pyridin-2-ylmethyl)aniline","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0653","0.0535","","","0.1125","0.1187","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203017","8.7284","0.0002","17.3023","0.0003","15.7446","0.0004","90","","102.236","0.001","90","","2323.76","0.09","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","","","- C24 H22 Cl2 Mn N4 -","- C24 H22 Cl2 Mn N4 -","- C96 H88 Cl8 Mn4 N16 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0764","0.0396","","","0.1032","0.1251","","","","","","0.782","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203018","9.4866","0.0003","12.7984","0.0005","13.0868","0.0005","98.379","0.002","104.084","0.002","91.693","0.002","1521.2","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2.03 Cu N4 O2.79 -","- C24 H22 Cl2 Cu N4 O2.71 -","- C48 H44 Cl4 Cu2 N8 O5.42 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.1681","0.1534","","","0.3578","0.3674","","","","","","1.208","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203019","9.3562","0.0002","10.2179","0.0002","13.8837","0.0004","101.079","0.001","96.15","0.001","110.015","0.001","1202.18","0.05","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Co N6 O6 -","- C24 H22 Co N6 O6 -","- C48 H44 Co2 N12 O12 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0725","0.0377","","","0.0803","0.0889","","","","","","1.044","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203020","8.0308","0.0016","8.6296","0.0017","20.091","0.004","93.94","0.03","92.29","0.03","116.16","0.03","1242.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cu N7 O9 -","- C24 H23 Cu N7 O9 -","- C48 H46 Cu2 N14 O18 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0692","0.0648","","","0.1884","0.192","","","","","","1.411","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203021","10.6604","0.0002","10.7821","0.0002","11.5302","0.0002","80.902","0.001","84.283","0.001","79.048","0.001","1281.48","0.04","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Co N4 O6 S -","- C26 H30 Co N4 O6 S -","- C52 H60 Co2 N8 O12 S2 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0748","0.043","","","0.0947","0.105","","","","","","1.033","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203022","9.4677","0.0002","10.179","0.0002","16.2431","0.0004","79.789","0.001","75.907","0.001","71.378","0.001","1430.31","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cu N4 O8.25 S1.25 -","- C24 H22.5 Cu N4 O8.26 S1.25 -","- C48 H45 Cu2 N8 O16.52 S2.5 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0552","0.0488","","","0.1478","0.1542","","","","","","1.062","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203023","8.4675","0.0001","12.8704","0.0002","24.3518","0.0004","90","","90","","90","","2653.86","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl4 Cu2 N4 O2 -","- C24 H22 Cl4 Cu2 N4 O2 -","- C96 H88 Cl16 Cu8 N16 O8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0823","0.0433","","","0.1026","0.1263","","","","","","0.765","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203024","8.5212","0.0002","12.8596","0.0003","24.1208","0.0005","90","","90","","90","","2643.14","0.1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C96.8 H88 Cl16 Cu8 N16 O0.8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0786","0.0431","","","0.077","0.0853","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203025","22.2733","0.0012","22.2733","0.0012","8.9917","0.0003","90","","90","","90","","4460.8","0.4","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Y(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)yttrium(III)]","","- C23 H21 O7 S Y -","- C23 H21 O7 S Y -","- C184 H168 O56 S8 Y8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0917","0.0456","","","0.0661","0.0741","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203026","22.2964","0.0003","22.2964","0.0003","8.9633","0.0002","90","","90","","90","","4455.92","0.13","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Tb(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)terbium(III)]","","- C23 H21 O7 S Tb -","- C23 H21 O7 S Tb -","- C184 H168 O56 S8 Tb8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0193","0.017","","","0.0353","0.0363","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203027","11.5806","0.0006","8.3012","0.0012","24.9731","0.0007","90","","101.617","0.006","90","","2351.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Y(BA)3(H2O)(DMF)]2","bis[(aqua)tris(benzoato)(dimethylformamide)yttrium(III)]","","- C48 H48 N2 O16 Y2 -","- C48 H48 N2 O16 Y2 -","- C96 H96 N4 O32 Y4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0922","0.0502","","","0.1128","0.123","","","","","","0.88","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203028","8.0308","0.0003","13.9735","0.0006","19.0422","0.0008","90","","90","","90","","2136.88","0.15","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Y(2-MeBA)3]n","poly[tri(2-methylbenzoato)yttrium]","","- C24 H21 O6 Y -","- C24 H21 O6 Y -","- C96 H84 O24 Y4 -","4","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.036","0.0279","","","0.0565","0.0594","","","","","","0.803","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203029","27.125","0.005","8.6116","0.0017","23.062","0.005","90","","105.1","0.03","90","","5201","1.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SH7DMF","bis[tris(3-methylbenzoato)(dimethylformamide)yttrium(III)]","","- C54 H60 N2 O16 Y2 -","- C54 H60 N2 O16 Y2 -","- C216 H240 N8 O64 Y8 -","4","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0821","0.052","","","0.1168","0.1323","","","","","","1.039","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203030","8.5731","0.0017","12.059","0.002","16.072","0.003","106.75","0.03","96.04","0.02","102.04","0.03","1531.6","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Y(3-MeBA)3(DMSO)(H2O)]2.2DMSO","bis[(aqua)(dimethylsulphoxide)tris(3-methylbenzoate)yttrium (III)].dmso solvate","","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","1","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0543","0.0439","","","0.1074","0.1127","","","","","","1.023","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203031","8.5475","0.0004","13.4364","0.0008","14.1992","0.0008","99.577","0.002","106.649","0.003","102.216","0.002","1481.45","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","{[Y(4-MeBA)3(DMSO)(H2O)].DMSO}2","","","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","1","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0807","0.052","","","0.0978","0.1091","","","","","","1.016","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203032","8.2242","0.0004","13.0741","0.0008","13.1527","0.0008","90.801","0.004","105.04","0.003","106.894","0.003","1300.72","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly[(dmf)tris(3-nitrobenzoato)yttrium(III)]","poly[tris(3-nitrobenzoate)yttrium(III)(DMF)]","","- C24 H19 N4 O13 Y -","- C24 H19 N4 O13 Y -","- C48 H38 N8 O26 Y2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0779","0.0444","","","0.0913","0.1034","","","","","","1.019","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203033","8.2095","0.0002","13.1346","0.0003","13.1596","0.0004","91.09","0.001","106.536","0.001","104.418","0.002","1311.26","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Tb(3-NO2BA)3(DMF)]n","","","- C24 H19 N4 O13 Tb -","- C24 H19 N4 O13 Tb -","- C48 H38 N8 O26 Tb2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0766","0.0507","","","0.1006","0.1109","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203034","10.4247","0.0005","16.1016","0.0008","18.7135","0.0006","93.351","0.002","101.038","0.002","106.429","0.003","2935.9","0.2","123","1","123","2","","","","","","","","6","P -1","-P 1","2","SH5DMSO","poly[hexa(3-nitrobenzoato)(dimethylsulphoxide)bis(aqua)bisyttrium (III)].DMSO solvate","","- C48 H46 N6 O29 S3 Y2 -","- C48 H46 N6 O29 S3 Y2 -","- C96 H92 N12 O58 S6 Y4 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0852","0.0445","","","0.0902","0.1037","","","","","","0.987","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203035","9.6946","0.0001","26.4487","0.0004","14.4156","0.0002","90","","105.594","0.001","90","","3560.24","0.08","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tb(4-NO2BA)3(DMF)]2.4DMF","bis[(dimethylformamide)tris(4-nitrobenzoato)terbium (III)].4dimethylformamide","","- C60 H70 N12 O32 Tb2 -","- C60 H70 N12 O32 Tb2 -","- C120 H140 N24 O64 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0314","0.027","","","0.0587","0.0606","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203036","9.9516","0.0003","10.5178","0.0003","15.9228","0.0005","98.84","0.001","96.54","0.001","107.148","0.002","1551.09","0.08","123","1","123","1","","","","","","","","6","P -1","-P 1","2","{[(H2O)2(DMSO)(4-NO2BA)3Y]DMSO}n","poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoate)yttrium(III)] dimethylsulphoxide}","","- C25 H28 N3 O16 S2 Y -","- C25 H28 N3 O16 S2 Y -","- C50 H56 N6 O32 S4 Y2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0338","0.027","","","0.065","0.0679","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203037","9.9572","0.0003","10.5317","0.0004","15.9559","0.0006","98.894","0.002","96.585","0.001","107.184","0.002","1556.36","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","{[Tb(4-NO2BA)3(DMSO)(H2O)2].DMSO}n","poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)terbium (III)].dimethylsulphoxide}","","- C25 H28 N3 O16 S2 Tb -","- C25 H28 N3 O16 S2 Tb -","- C50 H56 N6 O32 S4 Tb2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0498","0.0381","","","0.0715","0.0758","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203038","8.3522","0.0013","24.8189","0.003","14.2312","0.0021","90","","106.889","0.006","90","","2822.8","0.7","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Y(4-MeOBA)3(H2O)(DMF)]2","di[(aqua)(dimethylformamide)tris(4-methoxybenzoato)yttrium(III)]","","- C54 H60 N2 O22 Y2 -","- C54 H60 N2 O22 Y2 -","- C108 H120 N4 O44 Y4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.1054","0.0418","","","0.0818","0.1037","","","","","","0.968","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203039","8.3594","0.0003","24.7689","0.0008","14.2505","0.0005","90","","106.805","0.001","90","","2824.6","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(dmf/dsmo)(4-MeOBA)3Tb]2","bis[(dimethylformamide)tri(4-methoxybenzoato)terbium(III)]","","- C53.91 H59.91 N1.91 O22 S0.09 Tb2 -","- C53.906 H59.906 N1.906 O22 S0.094 Tb2 -","- C107.812 H119.812 N3.812 O44 S0.188 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0242","0.0206","","","0.0457","0.0475","","","","","","1.075","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203040","8.3013","0.0002","24.635","0.0005","14.0564","0.0003","90","","105.388","0.001","90","","2771.52","0.11","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tb(4-MeOBA)3(DMSO)(H2O)]2","","","- C52 H58 O22 S2 Tb2 -","- C52 H58 O22 S2 Tb2 -","- C104 H116 O44 S4 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.034","0.0258","","","0.0532","0.0571","","","","","","1.036","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203041","9.5399","0.0009","12.0328","0.0011","12.2882","0.0012","101.156","0.004","100.498","0.004","99.211","0.004","1332.6","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - pyridine clathrate (1:1)","","","- C23 H40 N4 O4 -","- C23 H40 N4 O4 -","- C46 H80 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0959","0.0757","","","0.1945","0.2169","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203042","9.5544","0.0005","12.1536","0.0007","12.369","0.0007","102.81","0.003","105.373","0.002","97.475","0.002","1322.91","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 2-methylpyridine clathrate (1:1:0.12)","","","- C24 H42.24 N4 O4.12 -","- C24 H42 N4 O4.125 -","- C48 H84 N8 O8.25 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0573","0.0534","","","0.1418","0.1456","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203043","9.5671","0.0014","12.091","0.002","12.44","0.002","102.069","0.008","101.335","0.007","99.598","0.007","1346.9","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 3-methylpyridine clathrate (1:1)","","","- C24 H42 N4 O4 -","- C24 H42 N4 O4 -","- C48 H84 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.1744","0.1291","","","0.3111","0.3669","","","","","","1.114","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203044","9.5358","0.0006","23.642","0.0017","12.0899","0.0008","90","","98.904","0.003","90","","2692.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-leucyl-L-leucyl-L-leucine - 4-methylpyridine clathrate (1:1:0.14)","","","- C24 H42.28 N4 O4.14 -","- C24 H42 N4 O4.14 -","- C96 H168 N16 O16.56 -","4","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0691","0.0436","","","0.0985","0.1129","","","","","","1.032","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203046","14.3232","0.0008","18.5768","0.0012","12.4832","0.0008","90","","111.061","0.004","90","","3099.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Ni O4 P2 S6 -","- C26 H28 N2 Ni O4 P2 S6 -","- C104 H112 N8 Ni4 O16 P8 S24 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0321","0.028","","","0.0679","0.0703","","","","","","1.03","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203047","17.618","0.003","8.0323","0.0016","25.068","0.005","90","","100.63","0.03","90","","3486.6","1.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 Ni O4 P2 S7 -","- C28 H32 N2 Ni O4 P2 S7 -","- C112 H128 N8 Ni4 O16 P8 S28 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0725","0.0709","","","0.1914","0.1941","","","","","","1.485","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203048","8.1601","0.0004","9.4126","0.0011","17.9991","0.0009","99.453","0.007","99.986","0.005","94.511","0.009","1334.85","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 P2 S5 -","- C18 H28 N2 Ni O4 P2 S5 -","- C36 H56 N4 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0402","0.0393","","","0.1251","0.1264","","","","","","1.212","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203049","11.6911","0.0012","9.9945","0.001","12.1366","0.0012","90","","102.743","0.005","90","","1383.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","0.5","","Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C.","Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism","CrystEngComm","2007","9","9","743","","10.1039/b709136m","","","0.71073","MoKα","","0.0383","0.0356","","","0.1085","0.111","","","","","","1.088","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203050","3.6811","0.0007","7.5912","0.0014","12.455","0.002","85.638","0.009","87.856","0.01","84.221","0.01","345.11","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","1","0.5","","Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C.","Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism","CrystEngComm","2007","9","9","743","","10.1039/b709136m","","","0.71073","MoKα","","0.0476","0.0405","","","0.1153","0.1212","","","","","","1.046","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203051","15.067","0.01","15.478","0.007","23.36","0.02","101.02","0.06","99.84","0.08","105.1","0.04","5021","6","100","2","100","2","","","","","","","","4","P 1","P 1","1","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","","- C150 H165.28 N8 O142.05 -","- C150 H165.28 N8 O142.06 -","- C150 H165.28 N8 O142.06 -","1","1","","Chatziefthimiou, Spyros D.; Yannakopoulou, Konstantina; Mavridis, Irene M.","β-Cyclodextrin trimers enclosing an unusual organization of guest: The inclusion complex β-cyclodextrin/4-pyridinealdazine","CrystEngComm","2007","9","11","976","","10.1039/b709155a","","","0.8015","SYNCHROTRON","","0.0681","0.0653","","","0.1772","0.1804","","","","","","1.037","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203052","7.1982","0.0005","8.634","0.0006","9.2042","0.0007","105.813","0.001","99.892","0.001","112.181","0.001","484.83","0.06","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cs2 N4 Ni O14 -","- C10 H16 Cs2 N4 Ni O14 -","- C10 H16 Cs2 N4 Ni O14 -","1","0.5","","Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros","Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes","CrystEngComm","2007","9","10","852","","10.1039/b709168k","","","0.71073","MoKα","","0.0147","0.014","","","0.0359","0.0363","","","","","","1.008","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203053","12.1915","0.0004","12.3098","0.0006","16.4178","0.0007","90.374","0.004","96.009","0.003","95.849","0.003","2437.24","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H84 N6 Ni O12 -","- C42 H82 N6 Ni O12 -","- C84 H164 N12 Ni2 O24 -","2","1","","Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros","Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes","CrystEngComm","2007","9","10","852","","10.1039/b709168k","","","0.71073","MoKα","","0.1034","0.0758","","","0.1316","0.1422","","","","","","1.139","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203054","7.9761","0.0001","8.2004","0.0001","7.3668","0.0001","90","","103.414","0.001","90","","468.697","0.011","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H5 N3 O4 -","- C H5 N3 O4 -","- C4 H20 N12 O16 -","4","1","","Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu.","NO3‒⋯NO3‒ and NO3‒⋯π interactions in the crystal of urea nitrate","CrystEngComm","2007","9","11","991","","10.1039/b709180j","","","0.71073","MoKα","","0.048","0.033","","","0.0869","0.0985","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203056","14.745","0.002","5.7176","0.0005","20.659","0.003","90","","90","","90","","1741.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H8 O S -","- C9 H8 O S -","- C72 H64 O8 S8 -","8","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1854","0.0585","","","0.1081","0.14","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203057","5.9369","0.0006","10.9023","0.001","13.2907","0.0019","90","","90","","90","","860.25","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0345","0.029","","","0.077","0.0836","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203058","22.1885","0.0013","5.6567","0.0005","14.0833","0.0009","90","","90","","90","","1767.6","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","2","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0554","0.0371","","","0.0888","0.1066","","","","","","1.153","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203059","6.0507","0.001","9.6244","0.0011","7.9662","0.0006","90","","109.273","0.01","90","","437.91","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C18 H16 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0583","0.0562","","","0.1452","0.1476","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203060","6.7881","0.0004","7.9542","0.0004","8.7386","0.0004","94.048","0.005","92.037","0.006","95.872","0.007","467.75","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O S -","- C10 H10 O S -","- C20 H20 O2 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0552","0.0399","","","0.1012","0.1156","","","","","","1.129","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203061","10.5942","0.0007","7.9196","0.0003","11.5721","0.0005","90","","98.59","0.004","90","","960.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O2 S -","- C10 H10 O2 S -","- C40 H40 O8 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0503","0.0388","","","0.1019","0.1151","","","","","","1.118","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203062","7.9083","0.0004","8.889","0.0004","14.4521","0.0007","90","","90","","90","","1015.94","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O3 S -","- C10 H10 O3 S -","- C40 H40 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0365","0.029","","","0.0675","0.0766","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203063","7.389","0.001","8.134","0.003","8.474","0.002","109.23","0.02","98.6","0.02","106.01","0.02","445.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 F O2 S -","- C9 H7 F O2 S -","- C18 H14 F2 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1602","0.078","","","0.234","0.3204","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203064","6.586","0.0002","10.1867","0.0003","16.9358","0.0006","90","","90","","90","","1136.22","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 S -","- C11 H12 O3 S -","- C44 H48 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.044","0.0325","","","0.0753","0.08","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203066","5.8976","0.001","16.381","0.003","16.464","0.003","90","","90","","90","","1590.6","0.5","303","2","303","2","","","101","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","mokα","","0.0327","0.0298","","","0.078","0.0793","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203067","8.6557","0.0015","12.706","0.002","14.439","0.003","90","","94.42","0.007","90","","1583.3","0.5","303","2","303","2","","","101","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","MoKα","","0.0494","0.0412","","","0.1145","0.119","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203068","10.864","0.002","5.116","0.001","12.282","0.002","90","","104.53","0.01","90","","660.8","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","catena-(mu-cyanido-kappaC,N)(mu-isonicotinato-kappaN,O) (mu- isonicotinic acid-kappaN,O)dicopper(i)","catena-(μ-cyanido-κC,N)(μ-isonicotinato-κN,O) (μ-isonicotinic acid-κN,O)dicopper(I)","","- C13 H9 Cu2 N3 O4 -","- C13 H9 Cu2 N3 O4 -","- C26 H18 Cu4 N6 O8 -","2","1","","Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix","An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding","CrystEngComm","2007","9","11","987","","10.1039/b709457d","","","0.71069","MoKα","","0.0438","0.0298","","","0.0727","0.0756","","","","","","0.947","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203069","9.5456","0.0006","11.1348","0.0007","37.703","0.002","82.05","0.002","86.294","0.002","66.254","0.002","3632.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","1","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.6814","synchrotron","","0.0866","0.0469","","","0.097","0.1099","","","","","","1.011","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203070","9.5293","0.0004","11.168","0.0005","37.6039","0.0016","81.788","0.002","86.147","0.001","66.364","0.001","3628.4","0.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","2","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.71073","MoKα","","0.1094","0.0835","","","0.1869","0.2113","","","","","","1.088","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203071","7.802","0.003","8.471","0.003","8.709","0.003","114.3","0.04","96.46","0.03","114.38","0.04","449.3","0.4","293","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-dimesitylethanediamide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","1","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0638","0.0491","","","0.1418","0.153","","","","","","1.079","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203072","10.875","0.0013","4.72","0.0007","15.978","0.002","90","","107.312","0.011","90","","783","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(3,5-dimethylphenyl)ethanediamide","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0506","0.0459","","","0.1293","0.1345","","","","","","1.1","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203073","9.9263","0.0005","5.6969","0.0005","21.257","0.0013","90","","94.431","0.005","90","","1198.47","0.14","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenylethanediamide 2,3,4,5,6-pentafluorophenol 1:2","","- C26 H14 F10 N2 O4 -","- C26 H14 F10 N2 O4 -","- C52 H28 F20 N4 O8 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0518","0.0465","","","0.1236","0.1289","","","","","","1.087","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203074","6.9797","0.0007","8.1338","0.0007","15.0081","0.0011","78.383","0.007","80.223","0.007","67.53","0.008","767.15","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","N,N'-dimesitylethanediamide 2,3,4,5,6-pentafluorophenol 1:2","","- C16 H13 F5 N O2 -","- C16 H13 F5 N O2 -","- C32 H26 F10 N2 O4 -","2","1","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0534","0.0429","","","0.1233","0.1293","","","","","","1.154","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203075","15.6385","0.0009","6.974","0.0006","15.1543","0.001","90","","118.275","0.006","90","","1455.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2,6-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol","","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","- C60 H44 F20 N4 O8 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0522","0.0449","","","0.1207","0.127","","","","","","1.106","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203076","7.0285","0.0005","7.5525","0.0005","13.6546","0.0009","91.511","0.005","101.938","0.006","92.892","0.006","707.74","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol","","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","1","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0447","0.0382","","","0.1065","0.1112","","","","","","1.069","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203077","6.9617","0.001","8.311","0.0011","13.3819","0.0019","91.559","0.015","104.416","0.011","92.117","0.011","748.84","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorobenzoic acid","","- C16 H11 F5 N O3 -","- C16 H11 F5 N O3 -","- C32 H22 F10 N2 O6 -","2","1","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0581","0.0462","","","0.1244","0.132","","","","","","1.069","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203078","11.292","0.006","15.112","0.01","15.805","0.012","90","","90","","90","","2697","3","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N4 O4 -","- C26 H31 N4 O4 -","- C104 H124 N16 O16 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.7107","MoKα","","","0.082","","","","0.097","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203079","9.4493","0.0016","14.125","0.002","21.736","0.004","90","","90","","90","","2901.1","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(Phe-Pro-Leu-Aha)","","","- C26 H44 N4 O7 -","- C26 H44 N4 O7 -","- C104 H176 N16 O28 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.71073","MoKα","","0.0768","0.0665","","","0.1537","0.1596","","","","","","1.149","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203080","18.473","0.004","37.249","0.007","15.502","0.003","90","","90","","90","","10667","4","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H24 Cu4 I4 N4 -","- C12 H18 Cu4 I4 N4 -","- C192 H288 Cu64 I64 N64 -","16","1","","Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua","A coordination polymer of copper(i) iodide with 654 topology constructed from Cu4I4(DABCO)4","CrystEngComm","2007","9","11","984","","10.1039/b709852a","","","0.71073","MoKα","","0.1473","0.0771","","","0.21","0.253","","","","","","1.021","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203082","14.367","0.011","16.29","0.013","18.72","0.015","90","","105.06","0.014","90","","4231","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(tpypy)(tpypyH)](ClO4)3.EtOH","","","- C42 H35 Cl3 Fe N8 O13 -","- C42 H35 Cl3 Fe N8 O13 -","- C168 H140 Cl12 Fe4 N32 O52 -","4","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.1488","0.0615","","","0.112","0.139","","","","","","0.975","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203083","13.1562","0.0001","20.3741","0.0002","18.8557","0.0002","90","","90","","90","","5054.19","0.08","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H33 Fe2 N14 O2 S6 -","- C46 H33 Fe2 N14 O2 S6 -","- C184 H132 Fe8 N56 O8 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.0445","0.0279","","0.0463","0.0319","0.0319","","","","","","1.0827","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203084","13.3057","0.0001","20.3495","0.0002","18.4014","0.0002","90","","90","","90","","4982.44","0.08","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H32 Fe2 N15 S6 -","- C48 H32 Fe2 N15 S6 -","- C192 H128 Fe8 N60 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.091","0.0701","","0.0432","0.0414","0.0414","","","","","","0.9055","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203085","9.632","0.004","13.811","0.007","11.323","0.005","90","","107.433","0.007","90","","1437.1","1.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N8 Ni O11 -","- C19 H28 N8 Ni O11 -","- C38 H56 N16 Ni2 O22 -","2","1","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0757","0.0627","","","0.1484","0.1517","","","","","","1.017","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203086","29.059","0.0016","10.0284","0.0005","18.1396","0.001","90","","90","","90","","5286.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 N16 Ni2 O19 -","- C42 H58 N16 Ni2 O19 -","- C168 H232 N64 Ni8 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.069","0.0546","","","0.1602","0.1689","","","","","","1.046","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203087","29.1836","0.0017","10.0604","0.0006","18.1377","0.001","90","","90","","90","","5325.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 Co2 N16 O19 -","- C42 H58 Co2 N16 O19 -","- C168 H232 Co8 N64 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0874","0.0643","","","0.1601","0.169","","","","","","1.036","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203088","10.473","0.002","17.597","0.004","14.503","0.003","90","","106.452","0.003","90","","2563.4","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 Co6 N32 O28 -","- C84 H92 Co6 N32 O28 -","- C84 H92 Co6 N32 O28 -","1","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.084","0.056","","","0.1101","0.1146","","","","","","1.094","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203089","14.5255","0.0005","7.921","0.0003","14.9241","0.0005","90","","98.607","0.003","90","","1697.78","0.1","0","","293","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C34 H65 N O6 -","- C34 H65 N O6 -","- C68 H130 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","0.0628","0.0488","","","0.1402","0.1517","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203090","18.291","0.007","7.973","0.003","20.566","0.007","90","","95.049","0.003","90","","2987.6","1.9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H111 N O12 -","- C60 H89 N O12 -","- C120 H178 N2 O24 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54184","CuKα","","","0.0896","","","","0.294","","","","","","1.052","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203091","14.6044","0.0007","7.9746","0.0004","17.2816","0.0007","90","","102.785","0.003","90","","1962.79","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H73 N O6 -","- C38 H73 N O6 -","- C76 H146 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","","0.0725","","","","0.191","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203092","14.593","0.004","7.99","0.002","18.702","0.008","90","","109.52","0.03","90","","2055.3","1.2","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H77 N O6 -","- C40 H77 N O6 -","- C80 H154 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.5412","CuKα","","","0.0726","","","","0.2303","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203093","8.3621","0.0004","11.0698","0.0005","9.8203","0.0005","90","","101.459","0.003","90","","890.91","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Au2 Cu N6 -","- C12 H18 Au2 Cu N6 -","- C24 H36 Au4 Cu2 N12 -","2","1","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0536","0.0434","","0.06","0.0558","0.0558","","","","","","0.9877","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203094","7.2413","0.0002","17.2528","0.0005","12.9833","0.0003","90","","90","","90","","1622.04","0.07","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C10 H18 Au Cl Cu N4 O4 -","- C10 H18 Au Cl Cu N4 O4 -","- C40 H72 Au4 Cl4 Cu4 N16 O16 -","4","0.5","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0554","0.0278","","0.0333","0.0254","0.0254","","","","","","0.7832","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203095","24.0685","0.0006","24.0685","0.0006","10.9542","0.0006","90","","90","","90","","6345.7","0.4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H168 N40 O100 -","- C48 H48 N40 O101.12 -","- C96 H96 N80 O202.24 -","2","0.0625","","Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.","Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)","CrystEngComm","2007","9","11","973","","10.1039/b711285h","","","0.7107","MoKα","","0.1262","0.1181","","","0.3212","0.3465","","","","","","1.744","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203096","14.4486","0.0003","14.4486","0.0003","10.5175","0.0005","90","","90","","120","","1901.49","0.11","100","2","100.1","1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C18 H55 Cl N12 O24 -","- C18 H18 Cl N12 O24.02 -","- C36 H36 Cl2 N24 O48.04 -","2","0.0833333","","Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.","Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)","CrystEngComm","2007","9","11","973","","10.1039/b711285h","","","0.7107","MoKα","","0.1581","0.1471","","","0.4227","0.4548","","","","","","2.232","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203097","11.8672","0.0018","12.2217","0.0019","6.4287","0.001","90","","90","","90","","932.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C‒H⋯O interactions and O‒H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0874","0.0605","","","0.1439","0.1584","","","","","","1.151","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203098","3.7239","0.0013","11.01","0.004","5.683","0.002","90","","96.237","0.005","90","","231.62","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C‒H⋯O interactions and O‒H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0651","0.0564","","","0.1178","0.122","","","","","","1.24","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203099","7.6982","0.0004","10.662","0.0006","19.4343","0.001","87.531","0.001","86.42","0.001","75.938","0.001","1543.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Fe N2 O8 -","- C34 H40 Fe N2 O8 -","- C68 H80 Fe2 N4 O16 -","2","1","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Palladino, Giuseppe; Polito, Marco","Solvent effect in a “solvent free” reaction","CrystEngComm","2007","9","10","879","","10.1039/b711983f","","","0.71073","MoKα","","0.0516","0.0338","","","0.0843","0.0916","","","","","","0.843","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203100","6.9095","0.0005","10.2699","0.0007","16.4105","0.0011","90","","90","","90","","1164.49","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0473","0.0468","","","0.1258","0.1267","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203101","7.6782","0.001","12.4991","0.0016","12.4268","0.0016","90","","101.005","0.002","90","","1170.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0449","0.0391","","","0.101","0.1066","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203102","12.1682","0.0019","5.045","0.0008","12.494","0.002","90","","108.948","0.002","90","","725.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0386","0.0375","","","0.1081","0.1102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203108","7.534","0.002","13.411","0.004","15.404","0.004","90","","97.101","0.005","90","","1544.5","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","","- C28 H20 Cu2 N4 O18 -","- C28 H20 Cu2 N4 O18 -","- C56 H40 Cu4 N8 O36 -","2","0.5","","Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker","Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)","CrystEngComm","2006","","","41","50","10.1039/b511326a","","x-ray","0.71073","MoK\α","","0.0409","0.0316","","","0.0794","0.0873","","","","","","1.037","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203109","26.561","0.003","7.4708","0.0009","16.6522","0.0019","90","","106.51","0.003","90","","3168.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","","- C28 H20 Cu2 N4 O18 -","- C28 H20 Cu2 N4 O18 -","- C112 H80 Cu8 N16 O72 -","4","1","","Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker","Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)","CrystEngComm","2006","","","41","50","10.1039/b511326a","","x-ray","0.71073","MoK\α","","0.0598","0.0387","","","0.1051","0.1299","","","","","","0.987","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203112","13.689","0.003","8.3977","0.0014","11.3004","0.0014","90","","107.446","0.013","90","","1239.3","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag2 N6 O4 S -","- C8 H10 Ag2 N6 O4 S -","- C32 H40 Ag8 N24 O16 S4 -","4","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0238","0.0223","","","0.054","0.0553","","","","","","1.046","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203113","9.974","0.0018","11.6687","0.0014","9.27","0.0018","90","","90","","90","","1078.9","0.3","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H7.5 Ag Cl N4.5 O4 -","- C6 H7.5 Ag Cl N4.5 O4 -","- C24 H30 Ag4 Cl4 N18 O16 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0259","0.0256","","","0.0524","0.0525","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203114","25.249","0.002","6.2859","0.0009","12.6954","0.0013","90","","90","","90","","2014.9","0.4","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C6 H9 Ag N3 O4 -","- C6 H5 Ag N3 O4 -","- C48 H40 Ag8 N24 O32 -","8","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.028","0.0258","","","0.0588","0.0603","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203115","7.9107","0.001","19.287","0.002","12.2767","0.0007","90","","94.902","0.008","90","","1866.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Ag N4 O3 -","- C6 H9 Ag N4 O3 -","- C48 H72 Ag8 N32 O24 -","8","2","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0381","0.0304","","","0.068","0.0718","","","","","","1.048","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203116","7.6708","0.0006","14.3064","0.0017","11.1349","0.0007","90","","102.022","0.006","90","","1195.16","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Ag Cl N3 O5 -","- C6 H11 Ag Cl N3 O5 -","- C24 H44 Ag4 Cl4 N12 O20 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0432","0.0375","","","0.082","0.0852","","","","","","1.035","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203117","10.727","0.002","17.216","0.002","13.462","0.003","90","","91.64","0.02","90","","2485.1","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Ag4 N6 O12 S2 -","- C12 H18 Ag4 N6 O12 S2 -","- C48 H72 Ag16 N24 O48 S8 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.074","0.0549","","","0.1203","0.1291","","","","","","1.066","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203127","7.2325","0.0014","5.0006","0.0005","17.966","0.003","90","","96.189","0.003","90","","645.99","0.18","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S)-(-)-tetramethylene bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","1","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0447","0.0421","","","0.1123","0.1142","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203128","18.816","0.003","5.1374","0.0006","7.7556","0.001","90","","96.202","0.002","90","","745.31","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C22 H28 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0879","0.0615","","","0.1641","0.1833","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203129","19.7519","0.0012","5.0738","0.0002","7.8915","0.0005","90","","90","","90","","790.86","0.08","120","1","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-hexamethylene bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C24 H32 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0353","0.0343","","","0.0923","0.0931","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203130","20.812","0.0011","5.1279","0.0001","7.9655","0.0004","90","","96.279","0.001","90","","844.99","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13.008 H18.016 F6 O6 -","- C26.016 H36.032 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0288","0.0278","","","0.0691","0.0697","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203131","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203132","27.753","0.011","4.9906","0.001","7.992","0.003","90","","95.942","0.005","90","","1101","0.6","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate","","","- C17.24 H27.04 F6 O6 -","- C15 H22 F6 O6 -","- C30 H44 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0525","0.0496","","","0.1437","0.1481","","","","","","1.096","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203133","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203139","9.7269","0.0008","8.6585","0.0007","24.853","0.002","90","","100.872","0.002","90","","2055.6","0.3","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 N2 O4 P2 S4 Zn -","- C36 H54 N2 O4 P2 S4 Zn -","- C72 H108 N4 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.1","0.078","","","0.209","0.223","","","","","","1.08","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203140","7.8735","0.0008","17.7046","0.0015","20.0325","0.0019","90","","90.638","0.002","90","","2792.3","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 N2 O8 P4 S8 Zn2 -","- C36 H66 N2 O8 P4 S8 Zn2 -","- C72 H132 N4 O16 P8 S16 Zn4 -","2","0.5","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.079","0.047","","","0.1","0.113","","","","","","1.01","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203141","8.3237","0.0014","11.2642","0.0019","14.95","0.004","77.797","0.003","73.836","0.003","68.317","0.003","1241.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 N O4 P2 S4 Zn -","- C14 H30 N O4 P2 S4 Zn -","- C28 H60 N2 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.101","0.065","","","0.165","0.191","","","","","","1.02","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203142","21.988","0.005","35.283","0.007","17.564","0.003","90","","90","","90","","13626","5","223","2","223","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C22 H36 N2 O4 P2 S6 Zn -","- C22 H36 N2 O4 P2 S6 Zn -","- C352 H576 N32 O64 P32 S96 Zn16 -","16","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.212","0.108","","","0.324","0.39","","","","","","1.14","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203143","18.5675","0.0006","23.9914","0.0007","16.1405","0.0005","90","","103.262","0.001","90","","6998.2","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O4 P2 S4 Zn -","- C25 H42 N2 O4 P2 S4 Zn -","- C200 H336 N16 O32 P16 S32 Zn8 -","8","2","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.124","0.074","","","0.192","0.223","","","","","","1.06","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203144","12.1969","0.0007","8.3847","0.0005","15.5757","0.001","90","","95.676","0.002","90","","1585.08","0.17","223","2","223","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C22 H37 N3 O4 P2 S4 Zn -","- C22 H37 N3 O4 P2 S4 Zn -","- C44 H74 N6 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.065","0.051","","","0.118","0.128","","","","","","1.01","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203149","25.078","0.002","25.078","0.002","25.078","0.002","90","","90","","90","","15772","2","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.2378","0.0764","","","0.2029","0.2691","","","","","","0.941","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203150","10.5311","0.0008","17.575","0.001","18.449","0.001","90","","90.444","0.002","90","","3414.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71069","MoKα","","0.0606","0.0365","","","0.09","0.1028","","","","","","1.019","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203151","25.39","0.002","25.39","0.002","25.39","0.002","90","","90","","90","","16368","2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.0944","0.0628","","","0.1851","0.219","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203152","12.087","0.004","16.628","0.005","10.264","0.008","96.19","0.06","95.7","0.06","107.22","0.03","1940.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.168","0.0451","","","0.0816","0.1165","","","","","","0.715","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203153","11.006","0.005","10.491","0.005","19.293","0.005","86.37","0.02","88.4","0.02","88.5","0.02","2221.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.0549","0.0464","","","0.1391","0.1486","","","","","","1.06","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203154","10.86","0.01","10.47","0.01","19.95","0.02","90","","99.24","0.09","90","","2239","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.1326","0.0964","","","0.2197","0.2601","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203155","10.67","0.07","7.76","0.01","24.24","0.03","90","","95.6","0.2","90","","1997","14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.3189","0.0498","","","0.0603","0.1077","","","","","","0.656","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203156","16.979","0.002","7.706","0.008","31.237","0.003","90","","102.076","0.002","90","","3997","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C176 H200 N24 O8 -","8","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1514","0.1579","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203157","7.759","0.009","18.66","0.02","6.57","0.005","96.2","0.1","97.72","0.09","96.1","0.1","930","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.2543","0.107","","","0.2762","0.3649","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203163","7.5255","0.001","12.0556","0.0015","18.597","0.002","90","","96.238","0.01","90","","1677.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","","- C35 H51 N3 O10 -","- C35 H51 N3 O10 -","- C70 H102 N6 O20 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.047","0.0391","","","0.0859","0.0899","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203164","8.2334","0.0014","12.283","0.002","33.625","0.005","90","","90","","90","","3400.5","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium hydrogen N-benzoyl-D-aspartate tetrahydrate","","- C34 H45 N3 O13 -","- C34 H45 N3 O13 -","- C136 H180 N12 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1192","0.0776","","","0.1642","0.1882","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203165","7.8711","0.0008","12.4649","0.0012","33.044","0.003","90","","90","","90","","3242","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-benzoyl-D-asparaginate trihydrate","","- C34 H44 N4 O11 -","- C34 H44 N4 O11 -","- C136 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1489","0.0583","","","0.0722","0.0867","","","","","","1.005","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203166","13.611","0.002","12.374","0.002","20.458","0.003","90","","93.146","0.018","90","","3440.4","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-tert-Butoxycarbonyl-L-alaninate 2-propanol solvate hydrate","","- C34 H51 N3 O10 -","- C34 H51 N3 O10 -","- C136 H204 N12 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.0555","0.0406","","","0.0687","0.0735","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203167","5.028","0.002","9.68","0.004","5.246","0.002","90","","118.522","0.007","90","","224.34","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 Cl N2 -","- C2 H5 Cl N2 -","- C4 H10 Cl2 N4 -","2","1","","Wishkerman, Sara; Bernstein, Joel","Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph","CrystEngComm","2006","8","3","245","","10.1039/b515447b","","","0.71073","MoKα","","0.0377","0.037","","","0.0874","0.0883","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203168","13.1537","0.0015","28.617","0.003","10.365","0.0011","90","","90","","90","","3901.6","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Co N2 O8 -","- C18 H22 Co N2 O8 -","- C144 H176 Co8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1026","0.0432","","","0.0642","0.0747","","","","","","0.856","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203169","12.6879","0.0012","27.985","0.003","10.8363","0.0011","90","","90","","90","","3847.7","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C144 H176 Cu8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0666","0.0404","","","0.0628","0.0681","","","","","","0.883","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203170","12.88","0.003","28.401","0.006","10.376","0.002","90","","90","","90","","3795.6","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C144 H176 N16 O64 Zn8 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0961","0.0414","","","0.0451","0.0531","","","","","","0.816","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203171","11.325","0.002","16.241","0.003","9.881","0.002","90","","90","","90","","1817.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C72 H72 N8 O24 Zn4 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0861","0.0375","","","0.0491","0.0556","","","","","","0.809","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203172","7.9432","0.0007","9.6697","0.0008","22.3743","0.0019","90","","92.791","0.002","90","","1716.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Mn N2 O5 -","- C15 H17 Cl Mn N2 O5 -","- C60 H68 Cl4 Mn4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0631","0.0353","","","0.0724","0.0779","","","","","","0.916","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203173","7.8296","0.0007","9.5624","0.0008","22.1549","0.0018","90","","93.724","0.002","90","","1655.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Co N2 O5 -","- C15 H17 Cl Co N2 O5 -","- C60 H68 Cl4 Co4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.124","0.0469","","","0.0643","0.0768","","","","","","0.838","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203174","7.7833","0.0007","9.5585","0.0009","22.055","0.002","90","","94.027","0.002","90","","1636.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 Ni O5 -","- C15 H17 Cl N2 Ni O5 -","- C60 H68 Cl4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0881","0.0507","","","0.1085","0.1194","","","","","","0.95","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203175","7.734","0.0008","9.6848","0.0009","22.313","0.002","90","","94.977","0.002","90","","1665","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br N2 Ni O5 -","- C15 H17 Br N2 Ni O5 -","- C60 H68 Br4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1884","0.0515","","","0.0565","0.0756","","","","","","0.736","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203176","8.2288","0.0004","7.9971","0.0004","21.7042","0.001","90","","90.523","0.001","90","","1428.22","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O3 -","- C17 H11 N5 O3 -","- C68 H44 N20 O12 -","4","1","","David J. Ring; Alexander J. Blake; Neil R. Champness; Claire Wilson","Threefold interpenetration of hydrogen-bonded two-dimensional sheets with 4<small><sup>4</sup></small> topology: supramolecular assembly of dimeric cyanuric acid nodes with four-fold connectivity","CrystEngComm","2006","","","29","32","10.1039/b515668h","","","0.6749","synchrotron","","0.0558","0.0444","","","0.1239","0.133","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203177","5.37","0.003","6.213","0.003","12.481","0.004","90","","102.31","0.03","90","","406.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-NITROPHENYL PHOSPHORIC ACID","4-NITROPHENYL PHOSPHORIC ACID","","- C6 H6 N O6 P -","- C6 H6 N O6 P -","- C12 H12 N2 O12 P2 -","2","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0279","0.0268","","","0.0691","0.0698","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203178","7.669","0.002","19.817","0.004","11.707","0.002","90","","102.9","0.03","90","","1734.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","","- C12 H11 K N2 O12 P2 -","- C12 H11 K N2 O12 P2 -","- C48 H44 K4 N8 O48 P8 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0407","0.0347","","","0.0808","0.083","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203179","7.373","0.003","9.561","0.003","16.32","0.004","84.44","0.03","89.23","0.03","84.47","0.03","1139.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","","- C7 H9 K N O7 P -","- C7 H9 K N O7 P -","- C28 H36 K4 N4 O28 P4 -","4","2","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0423","0.0339","","","0.083","0.0868","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203180","12.58","0.003","6.743","0.002","13.316","0.003","90","","93.89","0.03","90","","1127","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","","- C6 H9 K N O8 P -","- C6 H9 K N O8 P -","- C24 H36 K4 N4 O32 P4 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0328","0.026","","","0.0664","0.0685","","","","","","1.124","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203181","12.529","0.004","7.131","0.003","31.914","0.006","90","","90","","90","","2851.3","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","","- C6 H12 K2 N O10 P -","- C6 H12 K2 N O10 P -","- C48 H96 K16 N8 O80 P8 -","8","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0805","0.0544","","","0.1078","0.1168","","","","","","1.109","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203184","18.463","0.002","17.81","0.002","9.204","0.001","90","","101.491","0.008","90","","2965.9","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 -","- C36 H36 N6 -","- C144 H144 N24 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0667","0.0535","","","0.1376","0.1481","","","","","","1.022","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203185","5.747","0.0006","15.511","0.002","11.798","0.002","90","","92.911","0.008","90","","1050.3","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C52 H52 N8 -","2","0.5","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0699","0.0452","","","0.1096","0.1202","","","","","","1.082","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203186","5.815","0.003","8.493","0.003","27.344","0.004","90","","90.48","0.03","90","","1350.4","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","0.71069","MoKα","","0.1762","0.0562","","","0.1102","0.1436","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203187","9.2058","0.0009","5.6582","0.0012","25.114","0.002","90","","96.875","0.008","90","","1298.7","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.1021","0.0562","","","0.1351","0.1555","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203188","14.7475","0.0013","5.6746","0.0004","16.6394","0.0014","90","","113.98","0.007","90","","1272.3","0.19","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0728","0.0431","","","0.104","0.1169","","","","","","1.026","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203189","9.7931","0.0003","17.0401","0.0005","19.8613","0.0007","90","","102.479","0.001","90","","3236.06","0.18","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C136 H136 Au8 Cl8 N4 O2 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0789","0.0445","","","0.0889","0.1006","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203190","10.5172","0.0002","12.311","0.0003","13.3218","0.0004","72.659","0.001","84.32","0.002","75.96","0.001","1596.62","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0524","0.0447","","","0.1145","0.1194","","","","","","1.001","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203191","9.8874","0.0002","11.2785","0.0002","13.3023","0.0003","70.929","0.001","81.604","0.001","87.168","0.001","1386.96","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N O3 P2 -","- C33 H29 N O3 P2 -","- C66 H58 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.067","0.0498","","","0.1293","0.1404","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203192","11.2658","0.001","11.6465","0.0002","14.495","0.0002","85.708","0.001","74.044","0.001","86.088","0.001","1821.19","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O3 P2 -","- C37 H39 Au2 Cl2 N O3 P2 -","- C74 H78 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0354","0.0315","","","0.0796","0.0819","","","","","","1.027","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203193","11.288","0.002","11.664","0.002","14.665","0.003","83.41","0.03","73.92","0.03","85.81","0.03","1841.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O4 P2 -","- C37 H40 Au2 Cl2 N O4 P2 -","- C74 H80 Au4 Cl4 N2 O8 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0346","0.029","","","0.0683","0.0707","","","","","","1.054","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203194","10.0711","0.0002","17.7756","0.0004","19.7048","0.0005","90","","101.616","0.001","90","","3455.3","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.32 H30.28 Au2 Cl2 N O3.32 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0723","0.0414","","","0.0688","0.0761","","","","","","1.009","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203195","14.4668","0.0005","10.6327","0.0004","20.9068","0.0012","90","","95.054","0.0016","90","","3203.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.1616","0.0594","","","0.0874","0.0987","","","","","","1.069","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203196","10.9153","0.0004","12.1624","0.0004","15.8034","0.0006","74.933","0.002","82.592","0.002","73.966","0.002","1943.37","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.6 H31.4 Au2 Cl2 N O3.6 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0864","0.0665","","","0.1791","0.1889","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203197","6.3316","0.0013","12.517","0.003","33.042","0.007","90","","90","","90","","2618.7","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H34 N2 O2 -","- C34 H34 N2 O2 -","- C136 H136 N8 O8 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0796","0.0417","","","0.0795","0.0852","","","","","","0.901","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203198","12.632","0.003","32.034","0.006","6.2215","0.0012","90","","90","","90","","2517.6","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H32 N2 O2 S -","- C32 H32 N2 O2 S -","- C128 H128 N8 O8 S4 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1351","0.0433","","","0.0634","0.0769","","","","","","0.826","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203199","18.823","0.004","10.157","0.002","13.869","0.003","90","","100.44","0.03","90","","2607.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C128 H128 N8 O16 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.098","0.0408","","","0.071","0.0772","","","","","","0.931","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203200","12.525","0.003","12.772","0.003","26.458","0.005","90","","90","","90","","4232.5","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C192 H208 N16 O32 -","8","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.186","0.0664","","","0.163","0.1846","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203201","9.3034","0.0019","10.198","0.002","10.295","0.002","60.47","0.03","76.13","0.03","72.88","0.03","806.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1198","0.0795","","","0.1884","0.2142","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203202","11.764","0.002","15.841","0.003","12.322","0.003","90","","113.9","0.03","90","","2099.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0541","0.0406","","","0.1059","0.1115","","","","","","1.022","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203203","8.5551","0.0017","11.84","0.002","12.496","0.003","106.27","0.03","104.97","0.03","98.65","0.03","1139.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1132","0.0873","","","0.2538","0.2816","","","","","","1.009","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203204","8.6721","0.0017","11.845","0.002","12.364","0.003","106.23","0.03","104.28","0.03","98.19","0.03","1150.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1067","0.0761","","","0.1981","0.222","","","","","","1.021","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203205","17.518","0.004","13.767","0.003","9.0857","0.0018","90","","91.32","0.03","90","","2190.6","0.8","120","2","120","2","","","","","","","Roberto Quesada","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 N8 O7.5 Pt S4 -","- C9 H21 N8 O7.5 Pt S4 -","- C36 H84 N32 O30 Pt4 S16 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0508","0.0314","","","0.0604","0.0672","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203206","17.315","0.004","9.4289","0.0019","23.344","0.005","90","","107.7","0.03","90","","3630.8","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H40 N8 O9 Pt S8 -","- C17 H40 N8 O9 Pt S8 -","- C68 H160 N32 O36 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0326","0.0254","","","0.0598","0.0633","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203207","16.3461","0.0014","10.1444","0.0006","11.143","0.0011","90","","90","","90","","1847.7","0.3","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H40 N8 O8 Pt S8 -","- C16 H40 N8 O8 Pt S8 -","- C32 H80 N16 O16 Pt2 S16 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.072","0.0538","","","0.1317","0.1429","","","","","","0.931","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203208","21.1828","0.0016","14.1183","0.0013","14.4599","0.0014","90","","99.579","0.006","90","","4264.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C76 H192 Cl4 N48 O32 Pt6 S36 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0655","0.0376","","","0.0694","0.0773","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203209","8.8659","0.0009","12.7545","0.0008","11.0019","0.0015","90","","110.91","0.007","90","","1162.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N10 O4 Pt S4 -","- C12 H22 N10 O4 Pt S4 -","- C24 H44 N20 O8 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0566","0.0301","","","0.0617","0.0708","","","","","","0.977","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203210","8.9202","0.0005","13.8259","0.0006","9.1159","0.0006","90","","116.182","0.005","90","","1008.91","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N8 O6 Pt S4 -","- C8 H20 N8 O6 Pt S4 -","- C16 H40 N16 O12 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0198","0.0166","","","0.0357","0.0376","","","","","","1.066","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203211","21.409","0.004","14.734","0.003","14.767","0.003","90","","127.24","0.03","90","","3708.4","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N8 O12 Pt S8 -","- C18 H44 N8 O12 Pt S8 -","- C72 H176 N32 O48 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.048","0.028","","","0.0465","0.0516","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203212","12.4153","0.0018","12.4153","0.0018","7.3494","0.0015","90","","90","","90","","1132.8","0.3","293","2","273","","","","","","","","","5","P -4","P -4","81","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","1","0.25","","Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.","An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster","CrystEngComm","2006","8","4","303","","10.1039/b516332c","","x-ray","0.71073","MoKα","","0.0556","0.0471","","","0.114","0.1236","","","","","","1.075","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203214","14.034","0.01","13.205","0.017","3.699","0.008","90","","90","","90","","685.5","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 N O4 -","- C7 H4 N O4 -","- C28 H16 N4 O16 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0759","0.0591","","","0.1573","0.1701","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203215","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203216","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203217","6.5411","0.0006","9.4198","0.0009","10.8119","0.0011","92.161","0.005","104.384","0.006","96.514","0.005","639.63","0.11","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H36 B2 O7 -","- C26 H36 B2 O7 -","- C26 H36 B2 O7 -","1","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0749","0.0719","","","0.1756","0.1764","","","","","","1.113","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203218","6.7104","0.0004","7.4452","0.0004","14.1376","0.0008","94.672","0.002","102.78","0.003","98.325","0.003","676.83","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H36 B2 O10 -","- C26 H36 B2 O10 -","- C26 H36 B2 O10 -","1","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0773","0.0725","","","0.193","0.2043","","","","","","1.066","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203219","11.343","0.0002","5.0685","0.0001","11.581","0.0002","90","","103.737","0.001","90","","646.77","0.02","200","2","200","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 B2 O4 -","- C14 H12 B2 O4 -","- C28 H24 B4 O8 -","2","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0367","0.0353","","","0.103","0.1048","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203220","21.348","0.003","19.231","0.003","22.047","0.003","90","","105.139","0.003","90","","8737","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fullerene [70] phenol co-crystallisate","","- C170 H30 O5 -","- C170 H25 O5 -","- C680 H100 O20 -","4","1","","Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin","Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol","CrystEngComm","2006","8","2","163","","10.1039/b516427c","","x-ray","0.71073","MoKα","","0.1996","0.1243","","","0.1067","0.1241","","","","2.99","2.99","2.47","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203221","12.948","0.001","7.334","0.001","13.849","0.001","90","","115.35","0.01","90","","1188.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","hexaamminecobalt(iii) dichloride selenocaynide","hexaamminecobalt(III) dichloride selenocaynide","","- C H18 Cl2 Co N7 Se -","- C H18 Cl2 Co N7 Se -","- C4 H72 Cl8 Co4 N28 Se4 -","4","0.5","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.035","0.0328","","","0.0771","0.0785","","","","","","1.117","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203222","7.115","0.001","10.121","0.002","23.154","0.004","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","hexaamminecobalt(III) chloride diazide","","- Cl4 Co3 H54 N33 -","- Cl4 Co3 H54 N33 -","- Cl8 Co6 H108 N66 -","2","0.25","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.0322","0.0275","","","0.0679","0.0706","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203223","12.924","0.003","11.081","0.002","23.689","0.005","90","","90","","90","","3392.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0373","0.0332","","","0.0849","0.088","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203224","10.728","0.003","8.023","0.002","39.71","0.011","90","","90","","90","","3417.9","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1118","0.0517","","","0.1017","0.1348","","","","","","1.003","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203225","16.628","0.006","45.589","0.012","9.044","0.003","90","","90","","90","","6856","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H18 F2 N O -","- C22 H17 F2 N O -","- C352 H272 F32 N16 O16 -","16","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0283","0.0276","","","0.075","0.0757","","","","","","1.054","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203226","15.952","0.004","17.98","0.004","6.0391","0.0014","90","","90","","90","","1732.1","0.7","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 F N O -","- C22 H17 F N O -","- C88 H68 F4 N4 O4 -","4","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1171","0.0842","","","0.2209","0.2455","","","","","","0.982","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203227","16.1076","0.0011","9.1597","0.0006","23.6002","0.0016","90","","107.116","0.001","90","","3327.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 F N O -","- C22 H19 F N O -","- C176 H152 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0455","0.0413","","","0.098","0.1004","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203228","13.233","0.004","11.129","0.003","23.205","0.007","90","","90","","90","","3417.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C176 H160 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0443","0.0375","","","0.0902","0.0947","","","","","","1.031","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203229","16.4791","0.0009","21.8079","0.0012","7.8598","0.0004","90","","104.85","0.03","90","","2730.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Dimethoxy-5,10-bis(p-anisyl)-5,10-dihydrophenazine tricyanomethanide","","- C32 H26 N5 O4 -","- C32 H26 N5 O4 -","- C128 H104 N20 O16 -","4","0.5","","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts","CrystEngComm","2006","8","2","129","","10.1039/b516674h","","","0.71073","MoKα","","0.0833","0.0574","","","0.1461","0.1652","","","","","","1.104","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203230","6.9997","0.0004","16.426","0.0009","20.3312","0.0018","90","","90","","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C10 H26 Na4 O20 -","- C10 H2 Na4 O20 -","- C40 H8 Na16 O80 -","4","1","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0949","0.0589","","","0.1404","0.1582","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203231","7.3778","0.0004","20.1493","0.0006","10.4963","0.0004","90","","103.466","0.008","90","","1517.46","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Mn Na2 O26 -","- C20 H28 Mn Na2 O26 -","- C40 H56 Mn2 Na4 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0253","0.023","","","0.0629","0.0642","","","","","","1.091","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203232","7.2862","0.0004","20.1165","0.0007","10.4032","0.0003","90","","103.366","0.009","90","","1483.52","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Na2 Ni O26 -","- C20 H28 Na2 Ni O26 -","- C40 H56 Na4 Ni2 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0486","0.0376","","","0.0812","0.0851","","","","","","1.125","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203233","18.309","0.003","16.716","0.003","18.722","0.003","90","","91.812","0.003","90","","5727.1","1.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","AgBF4rev2","","","- C28 H28 Ag B F4 N4 O2 S2 -","- C28 H28 Ag B F4 N4 O2 S2 -","- C224 H224 Ag8 B8 F32 N32 O16 S16 -","8","2","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.2219","0.1685","","","0.3604","0.3801","","","","","","1.113","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203234","18.2449","0.0009","16.2679","0.0008","18.9904","0.001","90","","90","","90","","5636.5","0.5","120","","120","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Ag N5 O5 S2 -","- C28 H28 Ag N5 O5 S2 -","- C224 H224 Ag8 N40 O40 S16 -","8","1","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.0621","0.0338","","0.0779","0.0752","0.0752","","","","","","0.9004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203235","9.3134","0.001","11.0006","0.0008","12.5519","0.0014","90","","97.193","0.013","90","","1275.9","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C60 H24 Br4 F16 N4 -","4","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0359","0.028","","","0.0673","0.0702","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203236","7.2037","0.0017","8.087","0.0018","13.661","0.003","81.226","0.018","79.789","0.018","62.434","0.016","692","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H2 Br F8 N -","- C15 H2 Br F8 N -","- C30 H4 Br2 F16 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0656","0.0479","","","0.115","0.1248","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203237","7.8616","0.001","8.3583","0.0011","10.1162","0.0014","91.004","0.011","95.029","0.011","107.029","0.01","632.49","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C30 H12 Br2 F8 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0561","0.0512","","","0.1343","0.1379","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203238","9.9795","0.0013","13.3572","0.0014","16.7277","0.0019","104.434","0.009","104.567","0.009","102.171","0.009","1999","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C105 H70 Br7 N7 -","7","3.5","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0837","0.0641","","","0.1523","0.1638","","","","","","1.074","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203239","20.976","0.007","9.346","0.0017","9.903","0.003","90","","106.98","0.02","90","","1856.8","0.9","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag2 N4 O10 -","- C7 H6 Ag N2 O5 -","- C56 H48 Ag8 N16 O40 -","8","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0854","0.0733","","","0.1742","0.1885","","","","","","0.868","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203240","6.1591","0.0013","8.895","0.003","14.439","0.003","93.15","0.02","99.898","0.016","91.43","0.02","777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C28 H24 Ag2 N6 O14 -","2","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0408","0.0312","","","0.0686","0.0732","","","","","","1.07","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203241","5.4567","0.0003","6.8657","0.0005","18.9798","0.0012","84.785","0.003","90.874","0.002","75.585","0.003","685.3","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/undecanoic acid","","","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.09","0.0637","","","0.1475","0.1667","","","","","","1.084","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203242","5.4447","0.0002","6.9028","0.0003","20.307","0.008","89.796","0.001","88.441","0.001","75.432","0.001","738.4","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/dodecanoic acid","","","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.0639","0.0558","","","0.164","0.1724","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203243","5.4407","0.0009","6.8439","0.0011","21.498","0.004","84.694","0.003","92.957","0.003","75.574","0.003","769.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2:1 pyrazine/tridecanoic acid","","","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.176","0.0809","","","0.1857","0.2334","","","","","","0.961","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203252","10.441","0.01","16.283","0.015","10.634","0.004","90","","100.42","0.05","90","","1778","2","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Cl2 N5 -","- C36 H48 Br Cl2 N5 -","- C72 H96 Br2 Cl4 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0924","0.0603","","","0.1247","0.1368","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203253","10.4518","0.0005","16.2074","0.0008","10.5977","0.0003","90","","99.626","0.002","90","","1769.94","0.13","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl3 N5 -","- C37 H50 Cl3 N5 -","- C74 H100 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0877","0.0575","","","0.1417","0.1582","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203254","10.6105","0.0004","16.9689","0.0009","18.5412","0.001","90","","105.356","0.003","90","","3219.1","0.3","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br N5 -","- C36 H48 Br N5 -","- C144 H192 Br4 N20 -","4","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.1431","0.0574","","","0.0936","0.1154","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203255","10.3713","0.0004","16.0168","0.0006","10.5997","0.0002","90","","99.974","0.002","90","","1734.16","0.1","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C36 H48 Cl3 N5 -","- C36 H48 Cl3 N5 -","- C72 H96 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0708","0.0432","","","0.0825","0.0917","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203256","21.91","0.002","21.91","","20.559","0.002","90","","90","","120","","8547.1","1.1","150","2","150","2","","","","","","","","5","P 61","P 61","169","(C9H10N2O2)6.(CHCl3)","o-Acetamidobenzamide Chloroform (6/1)","","- C9.17 H10.17 Cl0.5 N2 O2 -","- C9.16667 H10.1667 Cl0.5 N2 O2 -","- C330 H366 Cl18 N72 O72 -","36","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.0766","0.0583","","","0.1406","0.1541","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203257","9.604","0.0009","17.5606","0.0016","18.3598","0.0017","72.468","0.002","86.767","0.002","75.422","0.002","2856.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C3H8O)","o-Acetamidobenzamide 1-propanol solvate (6/1)","","- C9.5 H11.33 N2 O2.17 -","- C9.5 H11.3333 N2 O2.16667 -","- C114 H136 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.122","0.0617","","","0.1377","0.1688","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203258","9.145","0.006","18.334","0.012","19.059","0.012","67.29","0.01","86.635","0.011","81.875","0.011","2918","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 1-butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11.6667 N2 O2.16667 -","- C116 H140 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1938","0.1","","","0.2394","0.2935","","","","","","0.886","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203259","9.8722","0.0014","17.541","0.002","17.977","0.003","73.288","0.003","86.046","0.003","75.975","0.003","2892.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 2-Butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11 N2 O2.16667 -","- C116 H132 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1124","0.0654","","","0.1497","0.1791","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203260","9.2597","0.0012","17.732","0.002","19.021","0.002","71.009","0.002","87.503","0.003","75.724","0.003","2859.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(C9H10N2O2)6.(C2H4Cl2)","o-Acetamidobenzamide 1,2-Dichloroethane solvate (6/1)","","- C9.33 H10.67 Cl0.33 N2 O2 -","- C9.33333 H10 Cl0.333333 N2 O2 -","- C112 H120 Cl4 N24 O24 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1098","0.0679","","","0.1735","0.1986","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203261","9.746","0.01","17.664","0.018","18.548","0.019","73.29","0.016","85.649","0.018","75.83","0.02","2965","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H8O2)","o-Acetamidobenzamide 1,4-Dioxane solvate (6/1)","","- C9.67 H11.33 N2 O2.33 -","- C9.66667 H10 N2 O2.33333 -","- C116 H120 N24 O28 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.3594","0.2059","","","0.391","0.4703","","","","","","1.127","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203262","5.2602","0.0004","9.29","0.001","16.674","0.003","90","","90","","90","","814.81","0.18","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isopropyl-(R)-(-)-3,3-difluorolactate","","","- C6 H10 F2 O3 -","- C6 H10 F2 O3 -","- C24 H40 F8 O12 -","4","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0346","0.0331","","","0.088","0.0888","","","","","","1.036","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203263","18.8223","0.0006","5.1467","0.0001","7.7739","0.0003","90","","90","","90","","753.08","0.04","120","1","120","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hexamethylene-(R,R)-bis(3,3-difluorolactate)","","","- C12 H18 F4 O6 -","- C12 H18 F4 O6 -","- C24 H36 F8 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0554","0.0473","","","0.0969","0.0994","","","","","","1.216","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203264","8.6464","0.0003","5.6435","0.0001","10.8654","0.0004","90","","109.451","0.001","90","","499.93","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Isopropyl-(S)-(-)-3,3,3-trichlorolactate","","","- C6 H9 Cl3 O3 -","- C6 H9 Cl3 O3 -","- C12 H18 Cl6 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0271","0.0266","","","0.0657","0.0659","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203265","21.7785","0.0017","5.7582","0.0002","8.4827","0.0007","90","","90","","90","","1063.77","0.13","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(-)-Octamethylene-(S,S)-bis(3,3,3-trichlorolactate)","","","- C14 H20 Cl6 O6 -","- C14 H20 Cl6 O6 -","- C28 H40 Cl12 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0505","0.0424","","","0.0883","0.0908","","","","","","1.176","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203266","9.2129","0.0001","6.6622","0.0002","12.5141","0.0003","90","","103.89","0.002","90","","745.63","0.03","296","1","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-(S)-1-Phenylethylammonium-(S)-3,3,3-trichlorolactate","","","- C11 H14 Cl3 N O3 -","- C11 H14 Cl3 N O3 -","- C22 H28 Cl6 N2 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0726","0.0607","","","0.1499","0.1562","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203267","14.958","0.0005","14.166","0.0004","12.105","0.0004","90","","99.174","0.002","90","","2532.18","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 Co N2 O18 S2 -","- C8 H44 Co N2 O18 S2 -","- C32 H176 Co4 N8 O72 S8 -","4","1","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0718","0.031","","0.0651","0.0591","0.0651","","","","","","0.6573","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203268","6.9495","0.0002","16.0265","0.0005","14.7693","0.0005","90","","101.867","0.002","90","","1609.79","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H60 Co N2 O18 S2 -","- C16 H60 Co N2 O18 S2 -","- C32 H120 Co2 N4 O36 S4 -","2","0.5","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0805","0.0412","","0.0849","0.0774","0.0849","","","","","","0.8407","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203269","15.2597","0.0004","23.4134","0.0006","16.9043","0.0003","90","","101.739","0.001","90","","5913.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 Co N O11 -","- C22 H49 Co N O11 -","- C176 H392 Co8 N8 O88 -","8","2","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.1341","0.054","","0.152","0.1338","0.152","","","","","","0.8225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203270","19.257","0.001","19.257","","27.718","0.002","90","","90","","90","","10278.7","0.9","153","2","153","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C176 H50 O5 -","- C176 H48 O5 -","- C704 H192 O20 -","4","0.25","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.55","synchrotron","","0.1367","0.1293","","","0.3701","0.3816","","","","","","0.967","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203271","21.2568","0.0004","10.0977","0.0003","26.6014","0.0009","90","","113.269","0.001","90","","5245.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 B10 O4 -","- C58 H60 B10 O4 -","- C232 H240 B40 O16 -","4","1","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.7107","MoKα","","0.3208","0.0787","","","0.108","0.1499","","","","","","0.958","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203272","13.773","0.002","13.773","0.002","6.998","0.002","90","","90","","120","","1149.6","0.4","294","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16.5 H27.5 O2 -","- C16.5 H28.5 O2 -","- C49.5 H85.5 O6 -","3","0.5","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.051","","","","0.067","","","","","","1.68","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203273","7.328","0.002","13.46","0.002","19.037","0.004","90","","91.87","0.01","90","","1876.7","0.7","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F3 O4 -","- C17 H27 F3 O4 -","- C68 H108 F12 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.116","","","","0.173","","","","","","2.22","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203274","7.037","0.002","13.661","0.002","18.194","0.005","90","","107.19","0.01","90","","1670.9","0.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O3 -","- C17 H32 O3 -","- C68 H128 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.06","","","","0.106","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203275","7.536","0.003","13.657","0.003","17.238","0.007","90","","106.91","0.02","90","","1697.4","1.1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C68 H120 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.065","","","","0.081","","","","","","1.77","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203276","6.908","0.004","13.833","0.005","18.981","0.007","90","","97.99","0.02","90","","1796.2","1.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O3 -","- C72 H136 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.068","","","","0.092","","","","","","1.85","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203277","7.777","0.004","14.093","0.007","15.21","0.007","86.12","0.03","82.12","0.02","79.66","0.02","1622.9","1.4","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H61 O7 -","- C33 H61 O7 -","- C66 H122 O14 -","2","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.076","","","","0.092","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203278","6.991","0.004","13.781","0.006","20.216","0.008","90","","97.6","0.03","90","","1930.6","1.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.107","","","","0.136","","","","","","1.99","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203279","7.3278","0.0002","21.8954","0.0008","11.7204","0.0004","90","","97.01","","90","","1866.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Co N4 O4 -","- C22 H14 Co N4 O4 -","- C88 H56 Co4 N16 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1027","0.0733","","","0.136","0.151","","","","","","1.252","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203280","7.2779","0.0011","21.675","0.003","11.786","0.002","90","","97.484","0.007","90","","1843.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 Ni O4 -","- C22 H14 N4 Ni O4 -","- C88 H56 N16 Ni4 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1059","0.069","","","0.1188","0.1319","","","","","","1.11","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203281","13.4816","0.0005","22.1896","0.0008","12.2588","0.0004","90","","116.196","0.001","90","","3290.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co N8 O5 -","- C36 H26 Co N8 O5 -","- C144 H104 Co4 N32 O20 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0996","0.0618","","","0.1187","0.1374","","","","","","1.236","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203282","17.5096","0.0004","33.7329","0.0007","15.2861","0.0004","90","","98.121","0.001","90","","8938.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H69 Co4 N20 O19 -","- C88 H54 Co4 N20 O19 -","- C352 H216 Co16 N80 O76 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0924","0.0685","","","0.15","0.1711","","","","","","1.134","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203283","11.3758","0.0018","11.982","0.002","12.6203","0.0019","104.568","0.006","97.853","0.002","108.063","0.006","1539.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","1","0.5","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0816","0.0559","","","0.1177","0.1345","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203284","12.1901","0.0002","28.2433","0.0004","14.47","","90","","92.304","0.001","90","","4977.83","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N12 Ni O7 -","- C50 H34 N12 Ni O7 -","- C200 H136 N48 Ni4 O28 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1515","0.1049","","","0.1843","0.2101","","","","","","1.321","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203285","10.1051","0.0006","28.8085","0.0018","4.838","0.0002","90","","103.868","0.01","90","","1367.35","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Gelbrich, Thomas; Hursthouse, Michael B.","Systematic investigation of the relationships between 25 crystal structures containing the carbamazepine molecule or a close analogue: a case study of the XPac method","CrystEngComm","2006","8","6","448","","10.1039/b600753h","","","0.71073","MoKα","","0.1038","0.0506","","","0.077","0.0856","","","","","","1.171","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203286","51.227","0.003","51.227","0.003","12.8243","0.0008","90","","90","","120","","29145","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H426 Fe30 O168 -","- C300 H426 Fe30 O168 -","- C900 H1278 Fe90 O504 -","3","0.166667","","Jiang, Guoqing; Li, Yizhi; Hua, Weijie; Song, You; Bai, Junfeng; Li, Shuhua; Scheer, Manfred; You, Xiaozeng","A supramolecular assembly of {Fe10} molecular wheels with tubular structures","CrystEngComm","2006","8","5","384","","10.1039/b600875e","","","0.71073","MoKα","","0.0885","0.0598","","","0.1171","0.1222","","","","","","1.064","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203287","11.104","0.0004","12.3528","0.0005","12.8493","0.0005","112.138","0.002","98.411","0.002","103.464","0.002","1533.17","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","1","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0244","0.0231","","","0.0583","0.0592","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203288","16.743","0.0006","20.5911","0.0007","30.9059","0.0011","90","","90","","90","","10655","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H52 B2 Cu F8 N5 O0.5 S4 -","- C52 H52 B1.5 Cu F6 N5 O0.5 S4 -","- C416 H416 B12 Cu8 F48 N40 O4 S32 -","8","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0924","0.0594","","","0.1596","0.1774","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203289","17.1827","0.0007","20.0047","0.0009","14.4205","0.0006","90","","103.157","0.002","90","","4826.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl2 Cu N4 O8 S4 -","- C48 H44 Cl2 Cu N4 O8 S4 -","- C192 H176 Cl8 Cu4 N16 O32 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0404","0.03","","","0.0736","0.0796","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203290","14.7535","0.0008","10.3848","0.0006","35.2904","0.0019","90","","99.713","0.002","90","","5329.4","0.5","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H51 Cl2 Cu N4 O9.5 S4 -","- C50 H44 Cl2 Cu N4 O9.5 S4 -","- C200 H176 Cl8 Cu4 N16 O38 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0868","0.0671","","","0.1611","0.1736","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203291","10.4903","0.0004","23.5948","0.0008","19.4528","0.0007","90","","100.126","0.002","90","","4739.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu N6 O6 S4 -","- C48 H44 Cu N6 O6 S4 -","- C192 H176 Cu4 N24 O24 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0402","0.0304","","","0.079","0.0864","","","","","","1.04","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203292","10.4434","0.0005","16.95","0.0008","30.3408","0.0013","90","","92.81","0.002","90","","5364.3","0.4","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C108 H103 Cu2 N13 O14 S9 -","- C108 H99 Cu2 N13 O14 S9 -","- C216 H198 Cu4 N26 O28 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.111","0.0578","","","0.1183","0.1427","","","","","","1.023","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203295","3.8917","0.0005","6.9999","0.0008","22.977","0.003","90","","90.798","0.002","90","","625.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E,E)-1,2-bis-4-chlorobenzaldazine","(E,E)-1,2-bis-4-chlorobenzaldazine","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C28 H20 Cl4 N4 -","2","0.5","","Glaser, Rainer; Murphy, Richard F.; Sui, Yongqiang; Barnes, Charles L.; Kim, Sung Hoon","Multifurcated halogen bonding involving Ph?Cl?H?CPh?N?R? interactions and its relation to idioteloamphiphile layer architecture","CrystEngComm","2006","8","5","372","","10.1039/b601467d","","","0.71073","MoKα","","0.0348","0.0328","","","0.0851","0.0867","","","","","","1.079","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203296","13.6878","0.0002","16.3438","0.0003","22.3279","0.0005","77.892","0.001","86.092","0.001","83.936","0.001","4851.11","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^- tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane.5(2-picoline) clathrate","","- C106 H123 N5 O16 S4 -","- C106 H105 N5 O16 S4 -","- C212 H210 N10 O32 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.0956","0.0546","","","0.1303","0.1515","","","","","","0.98","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203297","44.8472","0.0003","20.7901","0.0002","23.3348","0.0002","90","","117.239","0.001","90","","19344.1","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 4.5(3-picoline). 0.5(H2O) clathrate","","- C103 H120.5 N4.5 O16.5 S4 -","- C103 H102 N4.5 O17 S4 -","- C824 H816 N36 O136 S32 -","8","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1296","0.0811","","","0.2117","0.2447","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203298","16.9366","0.0001","17.9477","0.0002","19.4997","0.0002","104.495","0.001","96.671","0.001","105.44","","5424.44","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 6.5(4-picoline). 2(H2O) clathrate","","- C112 H130 N6 O16 S4 -","- C114.5 H105 N6.93 O18 S4 -","- C229 H210 N13.86 O36 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1114","0.0687","","","0.1768","0.2041","","","","","","1.043","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203301","14.4629","0.0005","16.4777","0.0008","10.6768","0.0005","90","","108.359","0.003","90","","2414.94","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 N6 O12 -","- C60 H40 N6 O12 -","- C120 H80 N12 O24 -","2","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1465","0.0565","","","0.102","0.1301","","","","","","0.939","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203302","10.9364","0.0006","8.8819","0.0005","19.9898","0.0007","90","","101.773","0.003","90","","1900.88","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H27 Mn N4 O8 -","- C48 H27 Mn N4 O8 -","- C96 H54 Mn2 N8 O16 -","2","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1035","0.064","","","0.1347","0.155","","","","","","1.033","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203303","19.8264","0.0005","19.8264","0.0005","9.446","0.0002","90","","90","","90","","3713.09","0.15","110","2","110","2","","","","","","","","6","P 42","P 4c","77","","","","- C45 H31 Cl Mn N4 O5 -","- C45 H31 Cl Mn N4 O5 -","- C180 H124 Cl4 Mn4 N16 O20 -","4","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.094","0.0637","","","0.1656","0.192","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203304","8.5521","0.0002","11.4432","0.0006","19.4875","0.0008","87.8501","0.0018","88.857","0.003","82.044","0.003","1887.22","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","1","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1016","0.0529","","","0.1141","0.1364","","","","","","1.012","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203305","6.121","0.002","7.073","0.003","45.3","0.02","90","","90","","90","","1961.2","1.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.1562","0.1381","","","0.3567","0.3664","","","","","","1.426","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203306","9.4944","0.0002","10.6542","0.0003","12.8614","0.0003","90","","90","","90","","1301","0.05","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.0681","0.0514","","","0.1243","0.1303","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203307","6.2453","0.0006","10.1233","0.001","16.8774","0.0017","93.037","0.002","92.521","0.002","90.826","0.002","1064.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","","- C19.25 H11 Cl3 N6 O3.5 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0551","0.0429","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203308","6.2482","0.0007","10.1684","0.0012","16.8235","0.0019","86.796","0.002","87.072","0.002","89.309","0.002","1065.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","","- C19.59 H12.18 Cl3 N6 O3.53 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0526","0.042","","","0.0975","0.1023","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203309","6.2474","0.0013","10.134","0.002","16.828","0.004","93.843","0.003","92.715","0.003","90.321","0.003","1061.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","","- C19.52 H12.04 Cl3 N6 O3.76 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0839","0.0569","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203310","17.249","0.0009","17.249","0.0009","12.0227","0.0012","90","","90","","120","","3097.9","0.4","298","2","298","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","","- C18 H9 Cl3 N6 O3 -","- C18 H9 Cl3 N6 O3 -","- C108 H54 Cl18 N36 O18 -","6","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.085","0.0663","","","0.1769","0.191","","","","","","1.036","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203311","6.3045","0.0007","10.1891","0.0011","17.0142","0.0019","93.247","0.002","92.607","0.002","90.35","0.002","1090","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","","- C18.55 H10.65 Cl3 N6.55 O4.1 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.1356","0.0586","","","0.1061","0.1229","","","","","","0.882","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203312","6.2589","0.0005","10.1316","0.0008","16.8663","0.0013","86.024","0.001","87.527","0.001","88.201","0.001","1065.54","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","","- C20 H13 Cl3 N6 O3.5 -","- C20 H12 Cl3 N6 O3.5 -","- C40 H24 Cl6 N12 O7 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0625","0.0455","","","0.1079","0.1168","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203317","22.29","0.003","8.5089","0.0009","19.112","0.002","90","0.005","107.798","0.012","90","0.005","3451.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(tba)(Fe(qdt)2)","","","- C32 H44 Fe N5 S4 -","- C32 H44 Fe N5 S4 -","- C128 H176 Fe4 N20 S16 -","4","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1572","0.0503","","","0.1169","0.1438","","","","","","0.962","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203318","10.6406","0.0012","11.3943","0.001","15.4041","0.0019","100.228","0.009","91.538","0.008","100.917","0.008","1801.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","(Ph)4As(Fe(qdt)2)","","","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","1","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1233","0.0537","","","0.0821","0.0945","","","","","","0.949","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203319","19.6228","0.0008","10.4307","0.0004","12.7867","0.0005","90","","90","","90","","2617.18","0.18","123","2","123","2","","","","","","","","4","P n n a","-P 2a 2bc","52","silver(I) 2-methylimidazolate","","","- C22 H26 Ag4 N8 -","- C22 H26 Ag4 N8 -","- C88 H104 Ag16 N32 -","4","0.5","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","mokα","","0.0274","0.0249","","","0.0642","0.0656","","","","","","1.048","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203320","12.6836","0.0016","19.726","0.002","11.1137","0.0013","90","","101.835","0.003","90","","2721.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag4 N8 -","- C24 H30 Ag4 N8 -","- C96 H120 Ag16 N32 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0507","0.0423","","","0.1048","0.1094","","","","","","1.047","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203321","7.8906","0.0007","5.9706","0.0005","10.8708","0.0009","90","","92.452","0.001","90","","511.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0316","0.026","","","0.0506","0.0533","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203322","6.9605","0.0014","7.3662","0.0015","8.6496","0.0017","113.41","0.03","91.97","0.03","98.06","0.03","400.98","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0537","0.0512","","","0.1497","0.1518","","","","","","1.163","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203323","3.8783","0.0009","11.217","0.003","12.564","0.003","103.511","0.004","93.34","0.005","99.507","0.004","521.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0822","0.0726","","","0.1985","0.2084","","","","","","1.122","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203324","8.5802","0.001","16.7418","0.0019","7.0007","0.0008","90","","112.504","0.002","90","","929.06","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 Cl6 N2 Pt -","- C10 H10 Br2 Cl6 N2 Pt -","- C20 H20 Br4 Cl12 N4 Pt2 -","2","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0554","0.0508","","","0.1651","0.1685","","","","","","1.137","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203339","7.478","0.001","25.381","0.005","13.776","0.003","90","","90.7","0.02","90","","2614.5","0.8","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O10 -","- C57 H92 O10 -","- C114 H184 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0659","","","","0.168","","","","","","1.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203340","7.465","0.0001","25.3714","0.0005","13.7625","0.0003","90","","90.605","0.001","90","","2606.44","0.08","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Cl O10 -","- C56 H89 Cl O10 -","- C112 H178 Cl2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0994","","","","0.2495","","","","","","2.539","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203341","7.463","0.001","25.378","0.003","13.764","0.002","90","","90.63","0.01","90","","2606.7","0.6","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0826","","","","0.217","","","","","","2.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203342","7.453","0.001","25.368","0.004","13.763","0.002","90","","90.51","0.02","90","","2602","0.7","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0636","","","","0.166","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203343","7.475","0.002","25.385","0.007","13.809","0.004","90","","90.67","0.02","90","","2620.1","1.3","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Br O10 -","- C55 H86 Br O10 -","- C110 H172 Br2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0924","","","","0.2567","","","","","","2.594","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203344","13.625","0.003","7.745","0.001","15.218","0.003","90","","112.357","0.008","90","","1485.2","0.5","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O5 -","- C32 H51 N O5 -","- C64 H102 N2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.104","","","","0.2842","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203345","11.9707","0.0009","8.069","0.0005","16.22","0.001","90","","111.245","0.002","90","","1460.24","0.17","198.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0793","","","","0.1951","","","","","","1.377","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203346","12.078","0.001","8.0989","0.0009","16.226","0.002","90","","111.031","0.006","90","","1481.5","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Cl O5 -","- C24 H40 O5 -","- C48 H80 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.1995","","","","0.4387","","","","","","3.447","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203347","12.083","0.002","8.1351","0.0005","16.265","0.001","90","","111.618","0.006","90","","1486.3","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0831","","","","0.2202","","","","","","1.986","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203348","13.3968","0.0005","8.0808","0.0004","14.0372","0.0006","90","","104.763","0.002","90","","1469.46","0.11","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0798","","","","0.1913","","","","","","1.575","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203349","11.9681","0.0006","8.1491","0.0003","16.3101","0.0007","90","","111.379","0.002","90","","1481.25","0.11","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Br O5 -","- C32 H49 Br O5 -","- C64 H98 Br2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0592","","","","0.1436","","","","","","1.569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203350","7.3178","0.0002","25.8105","0.0006","13.6157","0.0003","90","","90.889","0.001","90","","2571.37","0.11","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O8 -","- C57 H92 O8 -","- C114 H184 O16 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.094","","","","0.2027","","","","","","1.374","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203354","7.4288","0.0008","10.2892","0.0011","22.174","0.002","90","","97.553","0.002","90","","1680.2","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H62 O5 -","- C38 H62 O5 -","- C76 H124 O10 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0648","0.053","","","0.1105","0.1168","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203355","9.4045","0.0009","7.9586","0.0008","11.6746","0.0012","90","","111.274","0.002","90","","814.26","0.14","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Androsterone","Androsterone","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0438","0.041","","","0.1023","0.1049","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203368","23.862","0.002","13.2641","0.0011","12.2213","0.001","90","","116.676","0.003","90","","3456.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21 N4 O3 -","- C15 H21 N4 O3 -","- C120 H168 N32 O24 -","8","1","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1386","0.094","","","0.2791","0.3113","","","","","","1.043","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203369","13.6097","0.0005","14.203","0.0005","17.5902","0.0006","91.32","0.002","95.043","0.002","98.854","0.002","3344.3","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1063","0.0626","","","0.1558","0.1739","","","","","","1.025","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203370","12.067","0.0006","13.866","0.0007","17.6218","0.0009","73.608","0.002","71.557","0.002","66.84","0.002","2529.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21.67 N4 O3 -","- C15 H21.6667 N4 O3 -","- C90 H130 N24 O18 -","6","3","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1709","0.0669","","","0.1472","0.1811","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7203371","10.276","0.003","9.891","0.002","13.244","0.003","90","","90.573","0.005","90","","1346.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N2 O4 -","- C12 H18 Cu N2 O4 -","- C48 H72 Cu4 N8 O16 -","4","1","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.71073","MoKα","","0.1087","0.0651","","","0.1883","0.2191","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203372","12.8991","0.0012","9.7403","0.0009","18.2827","0.0018","90","","108.577","0.006","90","","2177.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O18 Zn3 -","- C36 H44 N4 O18 Zn3 -","- C72 H88 N8 O36 Zn6 -","2","0.5","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.846","synchrotron","","0.142","0.0668","","","0.1273","0.1451","","","","","","0.83","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203373","11.0874","0.0018","9.5068","0.0015","13.959","0.002","90","","105.835","0.003","90","","1415.5","0.4","359","2","359","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene form I","1,8-dipyridylnaphthalene form I","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0879","0.0487","","","0.1081","0.1189","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203374","8.297","0.0015","9.4627","0.0017","10.316","0.0018","79.87","0.003","73.067","0.003","65.092","0.003","701.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,8-dipyridylnaphthalene-form II","1,8-dipyridylnaphthalene-form II","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0541","0.043","","","0.1058","0.1109","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203375","13.356","0.003","6.92","0.0015","19.596","0.004","90","","106.203","0.004","90","","1739.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene-3H2O","1,8-dipyridylnaphthalene-3H2O","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.1007","0.0502","","","0.1226","0.1368","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203376","6.8515","0.0003","8.852","0.0006","10.5293","0.0007","80.655","0.006","75.043","0.004","70.363","0.004","579.07","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu Li2 O11 -","- C6 H10 Cu Li2 O11 -","- C12 H20 Cu2 Li4 O22 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0234","0.0199","","","0.0501","0.0517","","","","","","1.114","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203377","6.827","0.001","9.517","0.002","16.406","0.003","90","","90","","90","","1065.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0684","0.0368","","","0.074","0.0851","","","","","","1.092","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203378","7.3985","0.0007","18.83","0.002","9.3201","0.0009","90","","90","","90","","1298.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cu K2 O11 -","- C6 H4 Cu K2 O11 -","- C24 H16 Cu4 K8 O44 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.059","0.0341","","","0.0889","0.0981","","","","","","1.076","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203379","7.2224","0.0006","9.4647","0.0005","17.017","0.002","90","","90","","90","","1163.25","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cu O9 Rb2 -","- C6 H4 Cu O9 Rb2 -","- C24 H16 Cu4 O36 Rb8 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0867","0.0498","","","0.0936","0.1037","","","","","","1.034","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203380","7.1166","0.0006","7.1316","0.0009","7.5211","0.0006","87.334","0.008","79.428","0.007","86.698","0.008","374.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H8 Cs Cu O6 -","- C3 H2 Cs Cu0.5 O6 -","- C6 H4 Cs2 Cu O12 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0336","0.0287","","","0.0767","0.079","","","","","","1.091","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203389","9.5012","0.0006","18.1017","0.0012","21.8277","0.0014","70.056","0.001","82.32","0.001","83.134","0.001","3486.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2*(methylpyrogall(4)arene)1*(1,3-bis(3-pyridylmethyl)-2- thiourea)1*(SO4 2-)1*H2O clathrate","2*(methylpyrogall[4]arene)1*(1,3-bis(3-pyridylmethyl)-2-thiourea)1*(SO4 2-)1*H2O clathrate","","- C77 H82 N4 O29 S2 -","- C77 H82 N4 O29 S2 -","- C154 H164 N8 O58 S4 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.1249","0.0508","","","0.0866","0.1039","","","","","","0.887","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203390","8.8592","0.0017","9.3271","0.0018","9.4416","0.0018","106.968","0.004","104.65","0.004","104.616","0.004","675.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","rctt-methylpyrogall(4)arene","rctt-methylpyrogall[4]arene","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.0706","0.0465","","","0.1174","0.1286","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203391","9.544","0.003","9.588","0.003","9.915","0.003","86.554","0.005","68.376","0.005","63.175","0.005","746.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","2","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1752","0.0917","","","0.3044","0.3479","","","","","","1.044","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203392","14.023","0.009","12.02","0.02","9.949","0.005","90","","90","","90","","1677","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C48 H88 N24 O24 -","8","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1003","0.0617","","","0.1416","0.1661","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203393","10.713","0.003","3.858","0.002","14.347","0.005","90","","96.15","0.03","90","","589.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.0751","0.0389","","","0.0974","0.1145","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203395","12.874","0.008","6.713","0.004","20.311","0.013","90","","94.651","0.01","90","","1749.6","1.9","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0457","0.0391","","","0.1214","0.128","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203396","7.892","0.005","10.861","0.006","10.786","0.006","90","","109.986","0.008","90","","868.8","0.9","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C44 H40 F2 N2 O2 -","2","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0283","0.0274","","","0.0723","0.0729","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203397","10.5513","0.0019","15.868","0.002","10.5844","0.0019","90","","100.578","0.006","90","","1742","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H49 Cl3 N6 -","- C35 H49 Cl3 N6 -","- C70 H98 Cl6 N12 -","2","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.71073","MoKα","","0.1819","0.0932","","","0.1866","0.2228","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203398","10.586","0.0011","15.88","0.0017","21.868","0.002","90","","94.452","0.002","90","","3665","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Cl3 N6 -","- C37 H53 Cl3 N6 -","- C148 H212 Cl12 N24 -","4","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.6709","synchrotron","","0.1131","0.0813","","","0.1776","0.1925","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203404","13.8481","0.0003","16.4536","0.0002","9.1071","0.0002","90","","90","","90","","2075.06","0.07","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0244","0.0197","","","0.0479","0.0491","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203405","8.6866","0.0002","9.0585","0.0003","8.9681","0.0003","90","","115.198","0.002","90","","638.53","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu N2 O8 -","- C8 H16 Cu N2 O8 -","- C16 H32 Cu2 N4 O16 -","2","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0298","0.0228","","","0.0594","0.062","","","","","","1.104","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203406","11.67","0.002","8.408","0.002","15.323","0.003","90","","93.38","0.03","90","","1500.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cu N2 O11 -","- C8 H14 Cu N2 O11 -","- C32 H56 Cu4 N8 O44 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0484","0.0392","","","0.1018","0.1081","","","","","","1.094","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203407","8.268","0.0004","16.9351","0.0009","9.4736","0.0005","90","0.005","90","0.004","90","0.004","1326.49","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H16 Cu N2 O8 -","- C9 H16 Cu N2 O8 -","- C36 H64 Cu4 N8 O32 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0581","0.0426","","","0.0905","0.096","","","","","","1.106","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203408","7.3346","0.0003","13.6142","0.0003","7.9365","0.0003","90","","97.519","0.003","90","","785.68","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O10 -","- C10 H18 Cu N2 O10 -","- C20 H36 Cu2 N4 O20 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0504","0.0367","","","0.0786","0.0829","","","","","","1.046","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203409","13.6559","0.0018","16.4436","0.0009","9.0876","0.0009","90","","90","","90","","2040.6","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0261","0.0226","","","0.0499","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203416","7.776","0.0008","11.0545","0.0011","56.587","0.006","90","","90","","90","","4864.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","distrychninium N-4-nitrobenzoyl-D-glutamate tetrahydrate","","- C54 H64 N6 O15 -","- C54 H64 N6 O15 -","- C216 H256 N24 O60 -","4","1","","Agata Białońska; Zbigniew Ciunik","Hydrophilic and hydrophobic pockets at surfaces of strychninium self-assemblies in pseudopolymorphous crystals of strychninium salts","CrystEngComm","2006","8","8","640","","10.1039/b605203g","","","1.5418","CuKα","","0.0796","0.0633","","","0.1539","0.1689","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203417","13.3317","0.0003","23.5623","0.0003","29.911","0.0006","90","","93.319","0.001","90","","9380","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound CS121","","","- C12 H105 Mo12 N36 Na O73 P8 -","- C12 H76 Mo12 N36 Na O72.7 P8 -","- C48 H304 Mo48 N144 Na4 O290.8 P32 -","4","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0814","0.0436","","","0.0977","0.1096","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203418","16.9408","0.0004","17.8534","0.0002","26.8981","0.0005","95.992","0.001","90.013","0.001","113.569","0.001","7408.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Compound CS120","","","- C56 H119 Mo12 N42 Na O75 P8 -","- C56 H58 Mo12 N42 Na O74 P8 -","- C112 H116 Mo24 N84 Na2 O148 P16 -","2","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.1025","0.0787","","","0.2098","0.2252","","","","","","1.05","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203419","13.4228","0.0002","13.4215","0.0003","14.7383","0.0003","98.443","0.001","104.914","0.001","119.049","0.001","2123.7","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound CS107","","","- C12 H105 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","1","0.5","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0384","0.0336","","","0.0819","0.0841","","","","","","1.074","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203432","11.1587","0.0004","18.9115","0.0007","10.3217","0.0004","90","","109.832","0.001","90","","2048.98","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-2-methyl-4'-hydroxydiphenyl","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0771","0.042","","","0.1027","0.1172","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203433","11.1587","0.0002","9.5748","0.0002","19.9175","0.0004","90","","96.332","0.001","90","","2115.05","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0805","0.0406","","","0.0984","0.1171","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203434","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Cédric Borel; Mikael Håkansson; Lars Öhrström","Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>","CrystEngComm","2006","8","9","666","","10.1039/b605762d","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203435","10.956","0.002","27.56","0.006","31.9","0.006","90","","90","","90","","9632","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H82 N24 O18 Pr2 Ru3 -","- C78 H46 N24 O18 Pr2 Ru3 -","- C312 H184 N96 O72 Pr8 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.062","0.0494","","","0.1396","0.1491","","","","","","1.076","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203436","14.273","0.0007","27.8052","0.0014","17.0891","0.0009","90","","101.957","0.002","90","","6634.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 K N16 O14 Ru2 Yb -","- C56 H42 K N16 O14 Ru2 Yb -","- C224 H168 K4 N64 O56 Ru8 Yb4 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.0864","0.0565","","","0.1558","0.1726","","","","","","1.053","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203437","21.5398","0.0008","26.248","0.0008","17.1392","0.0007","90","","90","","90","","9690.1","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H51 N12 O14 Pr Ru1.5 -","- C39 H23 N12 O14 Pr Ru1.5 -","- C312 H184 N96 O112 Pr8 Ru12 -","8","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.1216","0.0797","","","0.1964","0.2167","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203444","19.045","0.003","16.627","0.002","18.618","0.003","90","","118.047","0.008","90","","5203.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexyl bromo calixarene, acetonitrile","hexyl bromo calixarene, acetonitrile","","- C54 H63 I4 N O8 -","- C54 H63 I4 N O8 -","- C216 H252 I16 N4 O32 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.1","0.0449","","","0.0956","0.12","","","","","","1.013","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203445","25.359","0.002","22.2099","0.0019","12.1129","0.001","90","","90","","90","","6822.2","1","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","tetra-(3-pyridyl)ethynyl calixarene","tetra-(3-pyridyl)ethynyl calixarene","","- C82 H83 N5 O10 -","- C82 H83 N5 O10 -","- C328 H332 N20 O40 -","4","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.0638","0.0558","","","0.1338","0.1401","","","","","","1.076","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203446","18.2204","0.001","19.0609","0.0013","19.287","0.0014","105.18","0.01","113.6","0.01","108.25","0.01","5220.5","1.2","220","2","220","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1373","0.0504","","","0.126","0.1664","","","","","","0.877","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203447","17.412","0.001","18.845","0.001","19.252","0.001","105.84","0.01","104.51","0.01","112.99","0.01","5119.4","1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1749","0.0585","","","0.1068","0.1481","","","","","","0.912","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203448","13.015","0.002","9.581","0.003","32.611","0.006","90","","90","","90","","4066.5","1.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline","N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline","","- C13 H19 N Si -","- C13 H19 N Si -","- C156 H228 N12 Si12 -","12","1.5","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.0506","0.0379","","","0.0952","0.1005","","","","","","1.009","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203449","9.139","0.003","10.665","0.004","14.968","0.006","103.458","0.006","96.406","0.007","97.493","0.007","1391.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Co N6 O2 S2 -","- C27 H26 Co N6 O2 S2 -","- C54 H52 Co2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0919","0.0527","","","0.1015","0.1207","","","","","","1.061","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203450","9.0804","0.0012","10.663","0.0013","14.8873","0.0019","103.457","0.002","96.601","0.002","97.377","0.002","1374.5","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 N6 Ni O2 S2 -","- C27 H26 N6 Ni O2 S2 -","- C54 H52 N12 Ni2 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0678","0.0421","","","0.1028","0.1123","","","","","","1.038","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203451","9.4775","0.0018","13.038","0.003","17.523","0.003","75.595","0.002","75.36","0.002","71.835","0.002","1956.2","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0875","0.0485","","","0.1122","0.1305","","","","","","1.029","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203452","9.708","0.003","12.9","0.004","17.142","0.006","71.91","0.005","75.596","0.005","71.955","0.005","1912.4","1.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","","MoKα","","0.0857","0.0474","","","0.1199","0.1324","","","","","","1.017","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203453","7.845","0.004","10.255","0.004","17.677","0.007","78.625","0.006","83.681","0.006","78.665","0.004","1363.2","1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Fe N6 O2 S2 -","- C26 H24 Fe N6 O2 S2 -","- C52 H48 Fe2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0753","0.0489","","","0.1329","0.1476","","","","","","1.139","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203454","15.976","0.006","7.232","0.003","13.109","0.005","90","","95.374","0.004","90","","1507.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 Pb S2 -","- C14 H10 N4 Pb S2 -","- C56 H40 N16 Pb4 S8 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0597","0.056","","","0.1662","0.1684","","","","","","1.062","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203455","12.7148","0.0008","4.4248","0.0003","11.6928","0.0007","90","","90","","90","","657.84","0.07","293","2","293","2","","","","","","","","5","I m 2 m","I -2 -2","44","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0409","0.0264","","0.0437","0.0411","","","","0.93","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203456","13.3881","0.001","4.2929","0.0003","12.2521","0.0009","90","","108.273","0.002","90","","668.67","0.08","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.023","0.0222","","0.0561","0.0556","","","","1.083","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203457","25.028","0.003","4.4533","0.0005","11.8686","0.0014","90","","90","","90","","1322.8","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Ag N3 O3 -","- C13 H14 Ag N3 O3 -","- C52 H56 Ag4 N12 O12 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0901","0.0897","","0.1402","0.1401","","","","1.401","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203458","12.029","0.003","11.995","0.003","9.153","0.002","90","","91.951","0.006","90","","1319.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C52 H64 Cl4 N8 Ni2 O4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0593","0.047","","0.1638","0.1516","","","","1.203","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203459","5.66","0.001","9.323","0.003","12.687","0.004","103.6","0.02","93.39","0.02","102.01","0.02","632.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.1767","0.0619","","0.166","0.135","","","","0.97","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203460","5.6911","0.0007","9.5004","0.0012","12.7455","0.0016","104.059","0.005","92.721","0.005","102.425","0.005","649.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0578","0.0385","","0.1084","0.099","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203461","5.837","0.003","9.424","0.005","13.329","0.005","105.58","0.04","98.08","0.04","105.89","0.04","660.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0743","0.0405","","0.1122","0.1012","","","","1.02","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203462","8.678","0.002","12.213","0.003","13.691","0.003","85.497","0.004","77.327","0.004","82.58","0.004","1401.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C52 H56 Cd4 Cl8 N8 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0219","0.0193","","0.0522","0.0509","","","","0.982","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203463","26.216","0.0013","8.7667","0.0005","11.8792","0.0006","90","","91.216","0.002","90","","2729.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl2 Mn N2 -","- C13 H14 Cl2 Mn N2 -","- C104 H112 Cl16 Mn8 N16 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.038","0.0284","","0.0817","0.0757","","","","1.025","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203464","6.4441","0.0012","10.0237","0.0019","12.366","0.002","104.701","0.004","95.868","0.004","94.544","0.004","764","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0449","0.0331","","0.1017","0.0962","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203465","30.884","0.002","8.1009","0.0006","12.0897","0.0008","90","","99.461","0.001","90","","2983.6","0.4","150","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd3 Cl6 N4 -","- C26 H28 Cd3 Cl6 N4 -","- C104 H112 Cd12 Cl24 N16 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0344","0.0309","","0.0965","0.0854","","","","1.351","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203466","18.0645","0.0005","18.0645","0.0005","19.0889","0.0007","90","","90","","120","","5394.7","0.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H30 Ag N7 O3 -","- C39 H30 Ag N7 O3 -","- C234 H180 Ag6 N42 O18 -","6","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0454","0.0391","","0.1388","0.1288","","","","1.126","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203469","7.6917","0.0015","7.7273","0.0015","20.524","0.004","90","","90","","90","","1219.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)trichloroplumbate(ii)","(S-(β)-phenethylammonium)trichloroplumbate(II)","","- C8 H12 Cl3 N Pb -","- C8 H12 Cl3 N Pb -","- C32 H48 Cl12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0279","0.0254","","","0.0609","0.0619","","","","","","1.049","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203470","7.9199","0.0011","8.1392","0.0011","20.555","0.003","90","","90","","90","","1325","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)tribromoplumbate(ii)","(S-(β)-phenethylammonium)tribromoplumbate(II)","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0389","0.0295","","","0.0648","0.0675","","","","","","1.011","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203471","8.0814","0.0012","8.6983","0.0013","21.337","0.003","90","","90","","90","","1499.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0332","0.0276","","","0.0592","0.0608","","","","","","1.131","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203472","8.095","0.0012","8.7141","0.0013","21.368","0.003","90","","90","","90","","1507.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0382","0.0274","","","0.0542","0.0565","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203473","28.826","0.005","7.812","0.0013","27.055","0.005","90","","92.684","0.004","90","","6085.8","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Cl5 N3 O Pb -","- C24 H38 Cl5 N3 O Pb -","- C192 H304 Cl40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0507","0.0305","","","0.0605","0.0655","","","","","","1.055","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203474","29.171","0.004","8.1095","0.0012","27.656","0.004","90","","92.234","0.003","90","","6537.4","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Br5 N3 O Pb -","- C24 H38 Br5 N3 O Pb -","- C192 H304 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0682","0.0387","","","0.0799","0.0877","","","","","","1.021","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203475","8.868","0.005","9.247","0.005","28.729","0.005","90","","90","","90","","2355.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((R)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((R)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71069","MoKα","","0.0481","0.0405","","","0.083","0.0851","","","","","","1.174","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203476","8.8531","0.0017","9.2312","0.0018","28.65","0.006","90","","90","","90","","2341.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((S)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((S)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0753","0.0776","","","","","","1.077","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203479","7.9664","0.0009","16.5707","0.0018","10.501","0.0011","90","","107.048","0.006","90","","1325.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O10 -","- C30 H26 N2 O10 -","- C60 H52 N4 O20 -","2","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0633","0.0423","","","0.1034","0.1148","","","","","","1.04","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203480","7.5128","0.0004","7.8323","0.0005","20.1764","0.0014","94.067","0.004","99.125","0.004","94.832","0.004","1163.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O8 -","- C28 H18 N2 O8 -","- C56 H36 N4 O16 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0687","0.0484","","","0.1236","0.1432","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203481","7.3019","0.0001","8.9102","0.0001","10.784","0.0002","80.311","0.001","77.528","0.001","78.283","0.001","665.083","0.017","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0642","0.044","","","0.1113","0.1254","","","","","","1.025","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203482","7.7829","0.0005","9.8027","0.0007","15.4096","0.001","97.584","0.005","97.404","0.004","107.85","0.004","1091.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O8 S4 -","- C20 H12 N2 O8 S4 -","- C40 H24 N4 O16 S8 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0824","0.0406","","","0.0885","0.1038","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203483","5.1088","0.0005","5.3102","0.0006","12.3475","0.0015","90.588","0.009","98.023","0.008","95.211","0.008","330.23","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0428","0.0369","","","0.0944","0.0995","","","","","","1.029","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203484","21.3144","0.0005","21.3144","0.0005","17.3882","0.0008","90","","90","","120","","6841.2","0.4","150","","150","","","","","","","","","7","P -6","P -6","174","","","","- C28 H40 F9 La N3 O20.5 S3 -","- C28 H24 F9 La N3 O20.5 S3 -","- C168 H144 F54 La6 N18 O123 S18 -","6","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0771","0.0439","","","0.096","0.1121","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203485","8.63","0.0001","11.3501","0.0001","11.4308","0.0001","65.221","0.001","89.753","0.001","82.527","0.001","1006.37","0.019","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C29 H30 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","1","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0394","0.0382","","","0.0677","0.0685","","","","","","0.963","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203486","3.744","0.001","6.032","0.001","18.631","0.002","97.66","0.01","92.28","0.01","90.47","0.01","416.64","0.14","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cl N O3 -","- C8 H7 Cl N O3 -","- C16 H14 Cl2 N2 O6 -","2","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.059","0.044","","0.1227","0.1047","","","","1.051","1.081","1.081","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203487","5.0843","0.0003","8.3131","0.0005","15.9637","0.0008","77.76","0.003","89.771","0.003","74.353","0.003","633.94","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","1","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0732","0.042","","0.1061","0.0941","","","","1.024","1.102","1.102","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203488","9.2224","0.0004","10.0926","0.0005","10.0772","0.0005","90","","113.116","0.003","90","","862.66","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0751","0.0541","","0.1585","0.1436","","","","1.027","1.075","1.075","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203489","36.856","0.002","5.1674","0.0002","29.4327","0.0018","90","","112.806","0.002","90","","5167.2","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.1736","0.0589","","","0.1184","0.1565","","","","","","0.925","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203490","6.0884","0.0016","17.675","0.004","19.404","0.004","90","","90","","90","","2088.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0534","0.0404","","","0.0916","0.1007","","","","","","1.092","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203491","6.0982","0.0014","17.667","0.004","19.405","0.004","90","","90","","90","","2090.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.049","0.039","","","0.1016","0.1097","","","","","","1.039","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203492","6.1046","0.0013","17.656","0.004","19.423","0.004","90","","90","","90","","2093.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0513","0.0405","","","0.1059","0.1136","","","","","","1.022","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203493","6.1154","0.0013","17.642","0.004","19.443","0.004","90","","90","","90","","2097.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0566","0.045","","","0.1222","0.1319","","","","","","1.054","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203494","6.1363","0.0008","17.631","0.002","19.45","0.002","90","","90","","90","","2104.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0779","0.0546","","","0.1446","0.1615","","","","","","0.978","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203495","6.1416","0.001","17.622","0.003","19.468","0.003","90","","90","","90","","2107","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0908","0.0626","","","0.1743","0.1967","","","","","","1.001","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203496","6.1508","0.0009","17.596","0.002","19.478","0.003","90","","90","","90","","2108.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1046","0.073","","","0.2058","0.2283","","","","","","0.976","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203497","6.1598","0.0009","17.563","0.002","19.5","0.003","90","","90","","90","","2109.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1242","0.0872","","","0.2509","0.2781","","","","","","0.994","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203498","6.1549","0.0009","17.572","0.002","19.491","0.003","90","","90","","90","","2108","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1156","0.08","","","0.232","0.2584","","","","","","1.011","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203499","6.1644","0.0009","17.546","0.003","19.52","0.003","90","","90","","90","","2111.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1373","0.0972","","","0.2748","0.3017","","","","","","1.012","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203500","6.1732","0.001","17.519","0.003","19.547","0.003","90","","90","","90","","2114","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1688","0.1208","","","0.3245","0.3508","","","","","","1.122","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203501","6.1783","0.0012","17.515","0.003","19.569","0.003","90","","90","","90","","2117.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2027","0.1412","","","0.3667","0.3968","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203502","6.1916","0.0013","17.515","0.004","19.583","0.003","90","","90","","90","","2123.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2394","0.163","","","0.4032","0.4348","","","","","","1.268","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203506","32.672","0.008","15.404","0.004","19.582","0.005","90","","92.376","0.004","90","","9847","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H180 O4 -","- C112 H180 O4 -","- C448 H720 O16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.2321","0.0904","","","0.2391","0.3371","","","","","","1.015","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203507","15.6","0.005","19.664","0.006","33.103","0.01","85.879","0.005","76.899","0.005","87.243","0.005","9859","5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C107 H176 O4 -","- C107 H176 O4 -","- C428 H704 O16 -","4","2","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.3422","0.1136","","","0.2675","0.4111","","","","","","0.893","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203508","11.221","0.002","5.4718","0.0011","30.459","0.006","90","","93.79","0.03","90","","1866.1","0.6","100","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","2","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.062","0.0564","","","0.1217","0.1243","","","","","","1.13","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203509","5.6782","0.0006","11.3687","0.0012","30.306","0.003","90","","90","","90","","1956.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.1055","0.0618","","","0.1284","0.1472","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203510","10.2487","0.001","12.5428","0.0012","13.341","0.0013","90","","90","","90","","1715","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.0397","0.0355","","","0.083","0.0851","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203511","10.475","0.003","12.572","0.004","13.554","0.004","90","","90","","90","","1784.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.2943","0.1023","","","0.1824","0.2196","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203536","27.0695","0.0016","6.1051","0.0004","32.4245","0.0019","90","","111.443","0.001","90","","4987.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","2","","De, Senjuti; Chowdhury, Shubhamoy; Tocher, Derek A.; Datta, Dipankar","Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone","CrystEngComm","2006","8","9","670","","10.1039/b608107j","","","0.71073","MoKα","","0.0661","0.0577","","","0.132","0.1371","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203540","38.7756","0.0005","28.6296","0.0005","19.9225","0.0003","90","","94.3539","0.001","90","","22052.7","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cu N8 O12 -","- C76 H56 Cu N8 O12 -","- C608 H448 Cu8 N64 O96 -","8","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1027","0.0643","","","0.1735","0.1902","","","","","","0.963","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203541","13.523","0.0006","16.0078","0.0006","18.4755","0.0009","108.332","0.0018","93.617","0.002","106.441","0.003","3590.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H43 N7 O9 Ru -","- C64 H43 N7 O9 Ru -","- C128 H86 N14 O18 Ru2 -","2","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1026","0.0718","","","0.2025","0.2154","","","","","","1.033","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203542","17.3027","0.0002","14.0365","0.0002","22.2494","0.0003","90","","90","","90","","5403.7","0.12","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O12 Pd S4 -","- C56 H52 N4 O12 Pd S4 -","- C224 H208 N16 O48 Pd4 S16 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.0648","0.0426","","","0.1133","0.1272","","","","","","1.025","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203543","10.3278","0.0005","11.8814","0.0005","18.0329","0.0009","100.305","0.0015","104.992","0.002","98.599","0.002","2057.88","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","1","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.099","0.0757","","","0.1936","0.2065","","","","","","1.043","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203544","7.4613","0.0015","12.954","0.003","14.179","0.003","65.251","0.002","74.747","0.003","78.16","0.003","1193.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Saccharin, pyridine","Saccharin, pyridine","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0869","0.0505","","","0.1231","0.1413","","","","","","1.039","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203545","9.705","0.011","11.706","0.013","10.411","0.011","90","","105.089","0.019","90","","1142","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 4,4'-bipyridine","Saccharin, 4,4'-bipyridine","","- C24 H18 N4 O6 S2 -","- C24 H18 N4 O6 S2 -","- C48 H36 N8 O12 S4 -","2","0.5","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.1036","0.0438","","","0.0899","0.107","","","","","","0.899","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203546","7.4299","0.0005","11.1506","0.0007","15.345","0.0009","88.095","0.001","76.717","0.001","81.49","0.001","1223.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 4-picoline","saccharin, 4-picoline","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0411","0.0388","","","0.0981","0.0995","","","","","","1.138","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203547","6.9157","0.0012","17.351","0.003","10.6553","0.0018","90","","102.421","0.002","90","","1248.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","saccharine, isonicotinamide","saccharine, isonicotinamide","","- C13 H11 N3 O4 S -","- C13 H11 N3 O4 S -","- C52 H44 N12 O16 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0521","0.0417","","","0.0951","0.101","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203548","12.1321","0.0009","8.3859","0.0006","13.1779","0.001","90","","112.61","0.001","90","","1237.66","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 3-aminopyridine","Saccharin, 3-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C48 H44 N12 O12 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0336","0.0323","","","0.0878","0.0889","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203549","13.7712","0.0012","12.4593","0.0011","14.3461","0.0013","90","","90","","90","","2461.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Saccharin, 2-aminopyridine","saccharin, 2-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0448","0.0394","","","0.0961","0.099","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203550","7.2644","0.0015","7.382","0.0015","13.752","0.003","98.667","0.003","95.025","0.003","100.566","0.003","711.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 2-amino-4,6-dimethylpyrimidine","saccharin, 2-amino-4,6-dimethylpyrimidine","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C26 H28 N8 O6 S2 -","2","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0539","0.0459","","","0.1222","0.1288","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203551","15.4801","0.0009","18.8355","0.0012","18.5273","0.0008","90","","102.642","0.003","90","","5271.1","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C110 H162 Ba N2 O22 -","- C110 H162 Ba N2 O22 -","- C220 H324 Ba2 N4 O44 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1395","0.0919","","","0.2212","0.2604","","","","","","1.008","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203552","16.1945","0.0006","22.5902","0.0009","20.9304","0.0006","90","","103.591","0.002","90","","7442.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H114 N2 O21 Sr U -","- C68 H114 N2 O21 Sr U -","- C272 H456 N8 O84 Sr4 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.073","0.0469","","","0.1052","0.116","","","","","","1.028","","","","has coordinates,has disorder","189177","2020-10-21","18:00:00",""
"7203553","12.8244","0.0003","22.0852","0.0005","29.4456","0.0008","90","","91.312","0.001","90","","8337.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H120 Ba N2 O24 U -","- C68 H120 Ba N2 O24 U -","- C272 H480 Ba4 N8 O96 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.0746","0.0575","","","0.1511","0.1634","","","","","","1.056","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203554","18.8808","0.0013","19.0624","0.0019","22.4431","0.0019","66.304","0.005","73.525","0.006","66.252","0.005","6698.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H194 Ba N4 O29 U2 -","- C122 H194 Ba N4 O29 U2 -","- C244 H388 Ba2 N8 O58 U4 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1451","0.0982","","","0.2242","0.2515","","","","","","1.039","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203555","14.806","0.013","7.155","0.006","7.82","0.007","90","","94.861","0.014","90","","825.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-4-ethylphenol","2-amino-4-ethylphenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.1872","0.0806","","","0.1759","0.2201","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203556","15.1054","0.0013","6.0153","0.0005","8.4629","0.0007","90","","99.582","0.001","90","","758.24","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3 amino 2 naphthol","3 amino 2 naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.0441","0.0415","","","0.1099","0.1121","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203557","18.9615","0.0003","11.942","0.0003","12.8415","0.0002","90","","125.675","0.001","90","","2362.13","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]manganese(II) dimethanol solvate (1.2CH~3~OH)","","- C18 H24 Cl2 Mn N8 O2 -","- C18 H24 Cl2 Mn N8 O2 -","- C72 H96 Cl8 Mn4 N32 O8 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0468","0.0406","","","0.1185","0.1239","","","","","","1.054","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203558","10.7275","0.0002","11.662","0.0002","11.9305","0.0002","95.9291","0.0006","96.0695","0.0006","110.075","0.001","1378.36","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]iron(III) chloride tetrakis-methanol solvate (2.4CH~3~OH)","","- C20 H32 Cl3 Fe N8 O4 -","- C20 H32 Cl3 Fe N8 O4 -","- C40 H64 Cl6 Fe2 N16 O8 -","2","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0522","0.036","","","0.0895","0.0974","","","","","","1.022","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203559","7.2901","0.0003","28.8637","0.0008","11.8758","0.0006","90","","107.874","0.002","90","","2378.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) diperchlorate methanol solvate (3.CH~3~OH)","","- C17 H20 Cl2 Cu N8 O9 -","- C17 H20 Cl2 Cu N8 O9 -","- C68 H80 Cl8 Cu4 N32 O36 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0852","0.0583","","","0.1531","0.1682","","","","","","1.047","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203560","20.5384","0.0007","8.2388","0.0002","14.5781","0.0006","90","","101.409","0.0013","90","","2418.04","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[5-amino-3-(pyrid-2-yl)pyrazole][acetonitrile]copper(II) diperchlorate (4)","","- C18 H19 Cl2 Cu N9 O8 -","- C18 H19 Cl2 Cu N9 O8 -","- C72 H76 Cl8 Cu4 N36 O32 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0654","0.0458","","","0.121","0.1329","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203561","14.3848","0.0002","16.214","0.0002","34.3029","0.0005","90","","90","","90","","8000.64","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nitrato-bis(5-amino-3-(pyrid-2-yl)pyrazole)copper(ii) nitrate hydrate (0.5/0.13) (5.xH!2$O; x = 0.13)","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) nitrate hydrate (0.5/0.13) (5.xH~2~O; x = 0.13)","","- C16 H16.26 Cu N10 O6.13 -","- C16 H16 Cu N10 O6.13 -","- C256 H256 Cu16 N160 O98.08 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.1364","0.0576","","","0.1373","0.1661","","","","","","1.01","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203562","14.168","0.0001","16.4064","0.0002","35.0658","0.0004","90","","90","","90","","8150.9","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)","","- C16 H16.58 N10 O6.29 Zn -","- C16 H16 N10 O6.29 Zn -","- C256 H256 N160 O100.64 Zn16 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0713","0.0476","","","0.1224","0.134","","","","","","1.054","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203563","12.3753","0.0007","17.13","0.0013","16.3243","0.0012","90","","110.892","0.004","90","","3233.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(5-amino-3-{pyrid-2-yl}pyrazolido)dicopper(II) hydrate (0.5/0.25) (7.xH~2~O; x = 0.25)","","- C32 H28.5 Cu2 N16 O0.25 -","- C32 H28 Cu2 N16 O0.255 -","- C128 H112 Cu8 N64 O1.02 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0897","0.0678","","","0.1699","0.1947","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203566","18.499","0.009","8.626","0.008","19.255","0.009","90","","90","","90","","3073","4","230","","230","0.2","","","","","","","see text","6","P c a 21","P 2c -2ac","29","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","","- C8 H11 F6 N3 O4 S2 -","- C8 H11 F6 N3 O4 S2 -","- C64 H88 F48 N24 O32 S16 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.1465","0.0823","","","0.1936","0.2225","","","","","","0.948","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203567","10.183","0.005","12.384","0.007","18.294","0.008","90","","90","","90","","2307","2","150","","150","0.2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","","- C7 H11 F3 N2 O3 S -","- C7 H11 F3 N2 O3 S -","- C56 H88 F24 N16 O24 S8 -","8","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.0738","0.0519","","","0.1249","0.1341","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203568","12.526","0.003","10.179","0.002","12.332","0.003","90","","115.038","0.004","90","","1424.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis((1-pyrazolyl)methyl)benzene, (3,5-dinitrobenzoic acid)2","1,4-bis[(1-pyrazolyl)methyl]benzene, (3,5-dinitrobenzoic acid)2","","- C28 H22 N8 O12 -","- C28 H22 N8 O12 -","- C56 H44 N16 O24 -","2","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0518","0.0453","","","0.1194","0.1245","","","","","","1.055","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203569","7.5783","0.0008","7.901","0.0009","14.1442","0.0013","103.784","0.007","101.429","0.007","90.509","0.006","804.8","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene, (2,6-Cl2PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene, (2,6-Cl2PhCOOH)2","","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","1","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0804","0.0666","","","0.1956","0.206","","","","","","1.357","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203570","8.8093","0.0006","14.7493","0.001","15.4238","0.0012","67.222","0.004","82.777","0.004","86.232","0.004","1832.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene (Me5-PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene (Me5-PhCOOH)2","","- C42 H54 N4 O4 -","- C42 H54 N4 O4 -","- C84 H108 N8 O8 -","2","1","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.1184","0.0798","","","0.2154","0.2413","","","","","","1.231","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203571","8.6489","0.0014","14.576","0.003","15.257","0.003","88.236","0.008","80.342","0.007","88.046","0.008","1894.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cu N6 O7 -","- C44 H40 Cu N6 O7 -","- C88 H80 Cu2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1514","0.0997","","","0.1906","0.2107","","","","","","1.235","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203572","5.1824","0.0002","15.3047","0.0008","11.2209","0.0005","90","","100.618","0.003","90","","874.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0697","0.041","","","0.1023","0.1129","","","","","","0.989","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203573","24.7921","0.0009","5.9555","0.0002","11.8649","0.0003","90","","101.992","0.002","90","","1713.61","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0973","0.0787","","","0.1487","0.1558","","","","","","1.075","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203574","6.6661","0.0002","12.8086","0.0004","10.5343","0.0004","90","","105.883","0.001","90","","865.12","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0464","0.0385","","","0.1016","0.1062","","","","","","1.067","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203575","11.2284","0.0016","13.9722","0.0019","14.47","0.003","104.476","0.004","97.445","0.005","99.866","0.007","2129.9","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cd N6 O7 -","- C44 H46.5 Cd N6 O7 -","- C88 H93 Cd2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.2044","0.1343","","","0.1864","0.2092","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203576","18.9609","0.0005","20.1474","0.0006","18.4747","0.0004","90","","96.418","0.002","90","","7013.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H79 Cd Cl2 N6 O12 -","- C66 H79 Cd Cl2 N6 O12 -","- C264 H316 Cd4 Cl8 N24 O48 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0783","0.0604","","","0.1175","0.1248","","","","","","1.078","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203577","17.707","0.006","20.119","0.003","19.17","0.009","90","","90","","90","","6829","4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 Co N8 O8 -","- C66 H76 Co N8 O8 -","- C264 H304 Co4 N32 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.159","0.1122","","","0.2218","0.2373","","","","","","1.219","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203578","17.707","0.003","20.072","0.004","19.219","0.002","90","","90","","90","","6830.7","1.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 N8 Ni O8 -","- C66 H76 N8 Ni O8 -","- C264 H304 N32 Ni4 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1289","0.097","","","0.1955","0.208","","","","","","1.077","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203579","12.71","0.003","25.181","0.005","13.499","0.003","90","","90","","90","","4320.4","1.6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H50 Cd N6 O7 -","- C44 H50 Cd N6 O7 -","- C176 H200 Cd4 N24 O28 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0576","0.0442","","","0.1138","0.1211","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203582","20.457","0.011","25.429","0.014","14.537","0.008","90","","122.662","0.006","90","","6366","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 Co N15 O5 -","- C48 H56 Co N15 O5 -","- C192 H224 Co4 N60 O20 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0953","0.0525","","","0.1387","0.1752","","","","","","1.035","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203583","22.923","0.003","24.682","0.004","8.334","0.0012","90","","90","","90","","4715.3","1.2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Co N18 -","- C46 H44 Co N18 -","- C184 H176 Co4 N72 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.1659","0.057","","","0.1152","0.1535","","","","","","1.005","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203584","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H46 Co N18 O -","- C46 H44 Co N18 O -","- C184 H176 Co4 N72 O4 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0711","0.0498","","","0.1541","0.1717","","","","","","1.063","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203585","9.0541","0.0018","18.159","0.004","9.7343","0.0019","90","","91.2","0.03","90","","1600.1","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumarate","","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0729","0.05","","","0.1094","0.1188","","","","","","1.11","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203586","9.8746","0.0004","7.1925","0.0004","12.2559","0.0005","90","","96.81","0.003","90","","864.31","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0723","0.0503","","","0.1179","0.131","","","","","","1.053","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203587","10.0598","0.0003","7.3023","0.0003","12.2512","0.0004","90","","97.47","0.002","90","","892.33","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0571","0.0426","","","0.1073","0.1163","","","","","","1.03","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203588","3.9653","0.0001","13.7652","0.0004","20.0488","0.0006","90","","91.603","0.001","90","","1093.9","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0707","0.0497","","","0.1197","0.1327","","","","","","1.081","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203589","4.8672","0.001","12.763","0.003","14.374","0.003","90","","96.2","0.03","90","","887.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.087","0.0496","","","0.1219","0.1423","","","","","","1.016","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203590","7.2696","0.0002","9.1353","0.0003","11.6311","0.0003","84.115","0.002","72.513","0.002","88.763","0.002","732.81","0.04","293","2","180","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0503","0.0426","","","0.123","0.1298","","","","","","1.09","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203591","4.7197","0.0009","15.272","0.003","12.819","0.003","90","","97.38","0.03","90","","916.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0669","0.0527","","","0.1402","0.1507","","","","","","1.057","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203592","15.733","0.003","15.106","0.003","7.6047","0.0015","90","","98.56","0.03","90","","1787.2","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0531","0.0432","","","0.1058","0.1138","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203593","7.0478","0.0002","10.087","0.0003","10.857","0.0003","102.305","0.002","104.584","0.002","107.975","0.002","674.12","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0523","0.0421","","","0.0944","0.1015","","","","","","1.064","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203594","9.802","0.002","6.0385","0.0012","15.626","0.003","90","","102.49","0.03","90","","903","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.1148","0.065","","","0.1331","0.1578","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203595","8.2345","0.0016","16.299","0.003","6.9681","0.0014","90","","108.17","0.03","90","","888.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0404","0.0372","","","0.1032","0.1069","","","","","","1.084","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203596","10.464","0.002","4.9696","0.001","17.113","0.003","90","","95.67","0.03","90","","885.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0993","0.058","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203597","9.088","0.002","10.425","0.004","25.005","0.007","90","","90","","90","","2369","1.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)","","- C15 H13 N2 O -","- C15 H13 N2 O -","- C120 H104 N16 O8 -","8","1","","Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.","Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration","CrystEngComm","2006","8","10","746","","10.1039/b610317k","","","1.54184","CuKα","","0.1045","0.0603","","","0.1488","0.1617","","","","","","0.954","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203598","15.1813","0.0006","17.6908","0.0007","35.4575","0.0014","90","","90","","90","","9522.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η^5^-cyclopentadienyl(pentafluorophenyl)(triphenylphosphane)palladium(II)","","- C29 H20 F5 P Pd -","- C29 H20 F5 P Pd -","- C464 H320 F80 P16 Pd16 -","16","2","","Althoff, Gerhard; Ruiz, José; Rodríguez, Venancio; López, Gregorio; Pérez, José; Janiak, Christoph","Can a single C‒H⋯F‒C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D ^1^H-^19^F CP/MAS NMR","CrystEngComm","2006","8","9","662","665","10.1039/b610718b","","","0.71073","MoKα","","0.0389","0.035","","","0.0896","0.0931","","","","","","0.821","","","","has coordinates","218381","2020-10-21","18:00:00",""
"7203604","16.9297","0.0012","16.9297","0.0012","6.7285","0.0006","90","","90","","90","","1928.5","0.3","298","2","298","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C18 H19 Ag4 I4 N17 O12 -","- C18 H16 Ag4 I4 N17 O12 -","- C36 H32 Ag8 I8 N34 O24 -","2","0.125","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.032","0.0222","","","0.0466","0.0492","","","","","","1.04","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203605","18.711","0.003","18.711","0.003","22.584","0.003","90","","90","","90","","7907","2","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C4 H4 Ag F6 I N3 P -","- C4 H4 Ag F6 I N3 P -","- C64 H64 Ag16 F96 I16 N48 P16 -","16","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0995","0.0481","","","0.103","0.1133","","","","","","1.034","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203606","19.1267","0.0017","11.4655","0.0009","9.0154","0.0013","90","","90","","90","","1977.1","0.4","295","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H4 Ag Cl I N3 O4 -","- C4 H4 Ag Cl I N3 O4 -","- C32 H32 Ag8 Cl8 I8 N24 O32 -","8","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0791","0.0501","","","0.0983","0.1091","","","","","","1.052","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203607","12.418","0.0013","21.168","0.002","15.019","0.0016","90","","111.75","0.002","90","","3666.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C123 H115 Ag12 Cl2 N47 O36 -","4","1","","Bianca Antonioli; Jack K. Clegg; David J. Bray; Kerstin Gloe; Karsten Gloe; Holger Heßke; Leonard F. Lindoy","An unprecedented bridging [Ag<small><sub>2</sub></small>(NO<small><sub>3</sub></small>)<small><sub>6</sub></small>]<small><sup>4−</sup></small> anion as a component of an infinite silver(<small>I</small>) molecular ladder incorporating a dinuclear cationic silver complex of a bis-dipyridylamine ligand","CrystEngComm","2006","8","10","748","","10.1039/b611270f","","","0.71073","MoKα","","0.0508","0.0335","","","0.0755","0.0819","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203608","7.5821","0.0007","7.7098","0.0007","16.7833","0.0016","92.261","0.002","93.43","0.002","110.97","0.001","912.52","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","1","0.5","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0651","0.0594","","","0.1583","0.1689","","","","","","1.103","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203609","7.1234","0.0005","18.3038","0.0014","12.4646","0.0009","90","","99.972","0.001","90","","1600.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Mn N4 O13 S -","- C27 H36 Mn N4 O13 S -","- C54 H72 Mn2 N8 O26 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0595","0.0502","","","0.0886","0.0933","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203610","11.7049","0.0007","7.2824","0.0004","13.4553","0.0008","90","","114.163","0.001","90","","1046.44","0.11","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Mn N2 O10 S -","- C17 H22 Mn N2 O10 S -","- C34 H44 Mn2 N4 O20 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0353","0.0351","","","0.0851","0.0853","","","","","","1.121","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203611","14.4525","0.0004","20.8624","0.0007","7.8359","0.0002","90","","109.113","0.0017","90","","2232.39","0.11","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H30 Cl2 I6 N8 -","- C40 H30 Cl2 I6 N8 -","- C80 H60 Cl4 I12 N16 -","2","0.25","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0717","0.0484","","","0.1285","0.1451","","","","","","1.073","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203612","28.715","0.0006","24.5928","0.0006","8.1377","0.0002","90","","103.647","0.0017","90","","5584.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O8 Pt -","- C48 H32 N6 O8 Pt -","- C192 H128 N24 O32 Pt4 -","4","0.5","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0554","0.039","","","0.0803","0.0853","","","","","","0.952","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203613","9.1433","0.0004","16.1077","0.0006","17.4365","0.0007","114.815","0.002","91.345","0.002","92.087","0.002","2327.22","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C80 H50 Br8 Cd2 Cl18 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.116","0.0623","","","0.1126","0.1262","","","","","","1.017","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203614","9.0994","0.0007","15.7338","0.0013","17.0478","0.0014","112.465","0.002","92.386","0.002","90.89","0.002","2252.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Co N2 O4 -","- C40 H25 Br2 Cl11 Co N2 O4 -","- C80 H50 Br4 Cl22 Co2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0861","0.0589","","","0.1521","0.1644","","","","","","1.05","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203615","9.0953","0.0018","15.939","0.003","17.3","0.004","113.92","0.03","91.97","0.03","91.79","0.03","2288.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C80 H50 Br4 Cl22 Hg2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0629","0.0463","","","0.1261","0.1385","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203616","12.75","0.0011","16.1881","0.0014","37.508","0.003","90","","90","","90","","7741.6","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C304 H184 Br32 Cl24 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1117","0.0575","","","0.1149","0.1313","","","","","","1.032","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203617","12.608","0.0009","16.2385","0.0013","37.085","0.003","90","","90","","90","","7592.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C304 H184 Br16 Cl40 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1023","0.0469","","","0.0844","0.0993","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203618","12.741","0.003","15.79","0.003","40.525","0.008","90","","90","","90","","8153","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C304 H184 Br16 Cl24 Hg8 I16 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0712","0.0375","","","0.0794","0.0854","","","","","","1.07","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203619","9.1378","0.0014","15.927","0.003","17.21","0.003","114.132","0.006","91.838","0.007","91.495","0.007","2282.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C80 H50 Br8 Cl18 N4 O8 Zn2 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1958","0.0833","","","0.1911","0.2293","","","","","","1.023","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203622","19.8677","0.0014","5.2047","0.0004","13.8276","0.001","90","","128.451","0.002","90","","1119.77","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))COO\τimes0.5 H2O","","","- C16 H36 Ag2 N4 O5 -","- C16 H36 Ag2 N4 O5 -","- C32 H72 Ag4 N8 O10 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0262","0.0254","","","0.0649","0.0656","","","","","","1.043","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203623","10.394","0.004","10.851","0.004","11.268","0.004","90","","106.477","0.006","90","","1218.7","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))COO\τimes2 H2O","","","- C8 H21 Ag N2 O4 -","- C8 H21 Ag N2 O4 -","- C32 H84 Ag4 N8 O16 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0329","0.029","","","0.0737","0.076","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203624","16.793","0.009","8.058","0.004","11.766","0.006","90","","90","","90","","1592.2","1.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","(Ag(SS-chxn))BF4\τimes0.33 H2O","","","- C18 H44 Ag3 B3 F12 N6 O -","- C18 H44 Ag3 B3 F12 N6 O -","- C36 H88 Ag6 B6 F24 N12 O2 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0684","0.0516","","","0.1307","0.1409","","","","","","1.033","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203625","11.108","0.003","9.137","0.003","9.755","0.003","90","","100.108","0.005","90","","974.7","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))BF4","","","- C6 H14 Ag B F4 N2 -","- C6 H14 Ag B F4 N2 -","- C24 H56 Ag4 B4 F16 N8 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0659","0.0563","","","0.1078","0.1131","","","","","","1.093","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203626","24.132","0.006","6.8438","0.0016","11.751","0.003","90","","93.354","0.004","90","","1937.4","0.8","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))NO3","","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C48 H112 Ag8 N24 O24 -","8","2","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0552","0.0528","","","0.1471","0.1489","","","","","","1.109","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203627","8.7988","0.0017","8.7709","0.0017","14.151","0.003","90","","100.771","0.004","90","","1072.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Dy O9 S -","- C7 H9 Dy O9 S -","- C28 H36 Dy4 O36 S4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0591","0.0488","","","0.1111","0.1142","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203628","15.868","0.004","9.2","0.003","14.955","0.004","90","","90","","90","","2183.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Eu O9 S -","- C7 H9 Eu O9 S -","- C56 H72 Eu8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0414","0.0355","","","0.1062","0.1121","","","","","","0.977","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203629","15.874","0.004","9.161","0.002","14.936","0.004","90","","90","","90","","2172","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Gd O9 S -","- C7 H9 Gd O9 S -","- C56 H72 Gd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0381","0.0294","","","0.0816","0.0872","","","","","","0.836","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203630","15.861","0.004","9.269","0.002","14.971","0.004","90","","90","","90","","2201","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Nd O9 S -","- C7 H9 Nd O9 S -","- C56 H72 Nd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0333","0.029","","","0.0933","0.0969","","","","","","1.015","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203631","15.877","0.004","9.203","0.002","14.958","0.004","90","","90","","90","","2185.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","1","0.125","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0503","0.0346","","","0.0715","0.0736","","","","","","1.085","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203632","15.882","0.004","9.212","0.002","14.969","0.004","90","","90","","90","","2190","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 O9 S Tb -","- C7 H9 O9 S Tb -","- C56 H72 O72 S8 Tb8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0372","0.0307","","","0.1018","0.1075","","","","","","0.992","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203633","8.782","0.002","8.701","0.002","14.038","0.004","90","","100.73","0.005","90","","1053.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 O9 S Yb -","- C7 H9 O9 S Yb -","- C28 H36 O36 S4 Yb4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0494","0.0394","","","0.084","0.0869","","","","","","1.042","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203634","19.1929","0.0013","7.1978","0.0005","24.4277","0.0017","90","","90","","90","","3374.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H20 Cl2 N4 O3 Zn -","- C13 H14 Cl2 N4 O3 Zn -","- C104 H112 Cl16 N32 O24 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0622","0.0477","","","0.109","0.1154","","","","","","1.08","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203635","18.3464","0.0017","6.8405","0.0006","24.146","0.002","90","","90","","90","","3030.3","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl2 N4 O2.98 Zn -","- C11 H10 Cl2 N4 O2.98 Zn -","- C88 H80 Cl16 N32 O23.84 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0588","0.0448","","","0.0962","0.1013","","","","","","1.097","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203636","10.7579","0.0007","16.5516","0.0011","19.2846","0.0013","90","","96.307","0.001","90","","3413","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N8 O11 Zn2 -","- C30 H34 N8 O11 Zn2 -","- C120 H136 N32 O44 Zn8 -","4","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0739","0.077","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203637","4.8526","0.0005","16.2068","0.0017","24.048","0.002","90","","100.387","0.002","90","","1860.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O7 S Zn -","- C13 H16 N4 O7 S Zn -","- C52 H64 N16 O28 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0461","0.0409","","","0.1214","0.1242","","","","","","1.161","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203638","18.371","0.003","9.8668","0.0016","15.866","0.003","90","","90","","90","","2875.9","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0317","0.0301","","","0.0731","0.0738","","","","","","1.076","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203639","9.2135","0.0016","12.441","0.002","19.292","0.003","90","","95.447","0.004","90","","2201.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl3 N4 O5 Zn -","- C16 H17 Cl3 N4 O5 Zn -","- C64 H68 Cl12 N16 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.1127","0.0686","","","0.1389","0.1572","","","","","","1.005","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203640","7.7362","0.0014","10.8978","0.0019","21.528","0.004","90","","96.732","0.004","90","","1802.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O9 S Zn -","- C12 H20 N4 O9 S Zn -","- C48 H80 N16 O36 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0872","0.0568","","","0.1049","0.1158","","","","","","1.012","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203641","10.873","0.002","11.598","0.002","13.394","0.003","77.732","0.009","77.628","0.005","70.025","0.005","1532.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cu N4 O14 -","- C25 H32 Cu N4 O14 -","- C50 H64 Cu2 N8 O28 -","2","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.0919","0.0625","","","0.1659","0.1844","","","","","","1.069","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203642","9.8564","0.0006","26.1503","0.0012","10.4712","0.0007","90","","105.948","0.005","90","","2595.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cu N4 O10 -","- C25 H30 Cu N4 O10 -","- C100 H120 Cu4 N16 O40 -","4","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.1834","0.0913","","","0.2187","0.3136","","","","","","0.923","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203643","23.59","0.005","8.8353","0.0018","19.166","0.004","90","","90","","90","","3994.7","1.4","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","0.5","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1324","0.1142","","","0.3014","0.3131","","","","","","1.3","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203644","11.8342","0.0007","13.163","0.0007","13.4024","0.0008","96.141","0.003","113.484","0.002","113.069","0.003","1673.86","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C84 H66 N10 O4 -","2","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1713","0.0846","","","0.1865","0.2223","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203645","10.242","0.0003","14.7567","0.0007","22.8507","0.001","90","","92.363","0.003","90","","3450.7","0.2","120","2","120","2","","","","","","","Simon Brooks","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N4 O3 -","- C43 H36 N4 O3 -","- C172 H144 N16 O12 -","4","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.154","0.0626","","","0.1263","0.1554","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203646","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0243","0.0218","","","0.0708","0.0734","","","","","","1.115","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203647","6.6652","0.001","7.7196","0.0012","12.572","0.002","84.567","0.014","76.328","0.014","74.007","0.014","603.9","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0409","0.0278","","","0.0857","0.094","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203648","4.3029","0.0009","5.7033","0.0009","12.6098","0.0018","100.859","0.013","95.703","0.013","99.229","0.011","297.29","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0328","0.0322","","","0.0906","0.0912","","","","","","1.068","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203649","4.3493","0.0008","5.7526","0.0008","12.572","0.002","101.564","0.014","95.572","0.014","98.717","0.01","301.95","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0339","0.0298","","","0.0875","0.0911","","","","","","1.149","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203650","27.4793","0.0011","6.028","0.0003","7.319","0.0003","90","","90","","90","","1212.36","0.09","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0294","0.0249","","","0.0785","0.0807","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203651","27.459","0.003","6.0877","0.0008","7.3074","0.001","90","","90","","90","","1221.5","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0571","0.0397","","","0.1313","0.1465","","","","","","1.101","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203652","8.884","0.003","40.601","0.011","10.98","0.003","90","","96.18","0.004","90","","3937","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C144 H180 N36 O36 S12 -","12","3","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.1088","0.0903","","","0.2096","0.2245","","","","","","1.002","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203653","7.385","0.0002","15.931","0.0005","25.394","0.0011","90","","90","","90","","2987.62","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C104 H152 N24 O32 S8 -","8","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.1248","0.0559","","","0.1062","0.1283","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203654","11.094","0.0002","10.685","0.0002","12.71","0.0003","90","","102.954","0.001","90","","1468.29","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0573","0.0382","","","0.0885","0.0973","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203655","8.742","0.0002","28.396","0.0005","10.877","0.0002","90","","92.953","0.001","90","","2696.5","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C96 H120 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0925","0.0529","","","0.1098","0.1255","","","","","","1.051","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203656","13.581","0.004","30.358","0.011","8.693","0.003","90","","125.803","0.019","90","","2906.8","1.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C104 H136 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.0547","0.0447","","","0.1126","0.1178","","","","","","0.99","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203657","54.44","0.03","10.652","0.004","10.105","0.003","90","","90","","90","","5860","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C208 H272 N48 O48 S16 -","16","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.099","0.0628","","","0.1528","0.1685","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203658","13.045","0.0002","13.718","0.0002","17.847","0.0003","90","","90","","90","","3193.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O4 S -","- C12 H23 N3 O4 S -","- C96 H184 N24 O32 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0963","0.0785","","","0.2162","0.2357","","","","","","1.074","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203659","6.894","0.0001","17.476","0.0004","14.21","0.0003","90","","103.18","0.001","90","","1666.92","0.06","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0705","0.0466","","","0.1206","0.1313","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203660","10.8207","0.0016","13.254","0.002","11.8837","0.0018","90","","103.423","0.002","90","","1657.8","0.4","240","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.0946","0.0888","","","0.2392","0.2469","","","","","","1.006","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203661","6.4309","0.0005","7.9829","0.0006","16.214","0.0012","90","","92.057","0.002","90","","831.85","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N3 O3 S -","- C4 H13 N3 O3 S -","- C16 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0481","0.044","","","0.1194","0.123","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203662","10.6084","0.0004","11.3449","0.0005","10.0582","0.0004","90","","90","","90","","1210.52","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0395","0.0381","","","0.0986","0.0995","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203663","16.888","0.005","12.43","0.006","19.756","0.006","90","","96.98","0.02","90","","4116","3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br2 Cl10 N2 -","- C37 H22 Br2 Cl10 N2 -","- C148 H88 Br8 Cl40 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.071","","","","0.091","","","","","","1.93","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203664","20.081","0.006","14.094","0.004","12.065","0.003","90","","90","","90","","3414.7","1.6","294","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H23 Br5 Cl2 N2 -","- C36 H23 Br5 Cl2 N2 -","- C144 H92 Br20 Cl8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.064","","","","0.065","","","","","","1.72","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203665","18.522","0.006","8.282","0.001","19.622","0.006","90","","100.02","0.01","90","","2964.1","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Br2 Cl2 N2 -","- C35 H24 Br2 Cl2 N2 -","- C140 H96 Br8 Cl8 N8 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.046","","","","0.056","","","","","","1.65","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203666","10.383","0.003","9.893","0.001","13.212","0.003","90","","98.41","0.01","90","","1342.5","0.5","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C70 H48 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.042","","","","0.051","","","","","","1.58","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203667","5.7952","0.001","8.3871","0.0014","8.7671","0.0014","72.308","0.003","76.989","0.003","86.488","0.004","395.54","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C18 H20 N4 -","1","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.072","0.056","","","0.161","0.172","","","","","","1.02","","","","has coordinates","275108","2022-05-06","15:12:09",""
"7203668","6.0705","0.0012","5.6162","0.0011","23.339","0.005","90","","93.573","0.004","90","","794.2","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.096","0.067","","","0.165","0.178","","","","","","1.15","","","","has coordinates","275108","2022-05-06","15:12:20",""
"7203669","11.7026","0.0013","5.5972","0.0006","12.3769","0.0014","90","","94.702","0.003","90","","807.98","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.095","0.058","","","0.154","0.19","","","","","","1.04","","","","has coordinates","275108","2022-05-06","15:12:22",""
"7203670","10.882","0.004","14.319","0.005","14.827","0.005","62.896","0.005","89.982","0.006","69.685","0.005","1893.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Hg2 I4 N6 O6 -","- C33 H21 Hg2 I4 N6 O6 -","- C66 H42 Hg4 I8 N12 O12 -","2","1","","Xing-Qiang Lü; Mei Pan; Jian-Rong He; Yue-Peng Cai; Bei-Sheng Kang; Cheng-Yong Su","Three-fold parallel interlocking of 2-D brick-wall networks showing ladder-like unsymmetrical Borromean links","CrystEngComm","2006","8","11","827","","10.1039/b613667m","","","0.71073","MoKα","","0.06","0.0423","","","0.102","0.1107","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203671","7.6003","0.0008","16.7695","0.0017","9.7696","0.001","90","","101.522","0.002","90","","1220.1","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 Ni O4 -","- C12 H10 N2 Ni O4 -","- C48 H40 N8 Ni4 O16 -","4","1","","Hogben, Timothy; Douthwaite, Richard E.; Gillie, Lisa J.; Whitwood, Adrian C.","Synthesis of a neutral metal?organic network solid [(MeIm)Ni(BDC)] (where MeIm = methylimidazole and BDC = 1,4-benzenedicarboxylate) in an ionic liquid solvent 1-methyl-3-propylimidazolium bromide","CrystEngComm","2006","8","12","866","","10.1039/b614104h","","","0.71073","MoKα","","0.0495","0.0376","","","0.0801","0.084","","","","","","1.071","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203672","10.8755","0.0005","19.129","0.002","19.3765","0.0018","90","","98.745","0.005","90","","3984.2","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Eu2 N12 O18 W -","- C22 H36 Eu2 N12 O17 W -","- C88 H144 Eu8 N48 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0246","0.0203","","0.045","0.0435","0.045","","","1.104","","","1.104","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203673","10.9221","0.0005","19.266","0.002","19.4537","0.0009","90","","98.385","0.005","90","","4049.8","0.5","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N12 Nd2 O17 W -","- C25 H42 N12 Nd2 O17 W -","- C100 H168 N48 Nd8 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0345","0.0254","","0.0585","0.0555","0.0585","","","1.131","","","1.131","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203693","26.6252","0.0006","26.6252","","14.6744","0.0007","90","","90","","120","","9009","0.5","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.33 H18.33 Cl N3 S6 Sb -","- C9.33333 H18 Cl0.99 N3 S6 Sb -","- C168 H324 Cl17.82 N54 S108 Sb18 -","18","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.054","0.043","","","0.111","0.118","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203694","10.3916","0.0006","11.466","0.0007","13.752","0.0009","95.617","0.001","110.929","0.001","106.614","0.002","1429.47","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl3 N3 S6 Sb -","- C19 H31 Cl3 N3 S6 Sb -","- C38 H62 Cl6 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.05","0.039","","","0.085","0.09","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203695","10.908","0.0006","13.5802","0.0007","18.8708","0.001","90","","99.305","0.001","90","","2758.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N3 S6 Sb -","- C21 H36 N3 S6 Sb -","- C84 H144 N12 S24 Sb4 -","4","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.135","0.071","","","0.115","0.135","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203696","9.8634","0.0006","13.1293","0.0007","17.145","0.0009","93.689","0.001","99.276","0.001","105.504","0.001","2098","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N3 S6 Sb -","- C45 H42 N3 S6 Sb -","- C90 H84 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.058","0.045","","","0.098","0.107","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203698","10.0685","0.0002","12.7121","0.0003","10.079","0.0002","90","","115.515","0.001","90","","1164.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)ferrocene carboxamide","N-(2-hydroxyethyl)ferrocene carboxamide","","- C13 H15 Fe N O2 -","- C13 H15 Fe N O2 -","- C52 H60 Fe4 N4 O8 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0343","0.0274","","","0.0645","0.0681","","","","","","1.056","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203699","9.0886","0.0002","10.0348","0.0001","16.761","0.0003","90","","90","","90","","1528.64","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","","- C16 H20 Fe N2 O4 -","- C16 H20 Fe N2 O4 -","- C64 H80 Fe4 N8 O16 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0196","0.0191","","","0.0499","0.0502","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203700","12.697","0.0002","10.017","0.0002","22.015","0.0003","90","","92.601","0.001","90","","2797.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","","- C15 H19 Fe N O3 -","- C15 H19 Fe N O3 -","- C120 H152 Fe8 N8 O24 -","8","2","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0678","0.0536","","","0.1343","0.1412","","","","","","1.08","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203701","21.35","0.0003","7.75","0.0004","15.596","0.0005","90","","130.317","0.002","90","","1967.61","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","","- C20 H28 Fe N2 O6 -","- C20 H28 Fe N2 O6 -","- C80 H112 Fe4 N8 O24 -","4","0.5","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0553","0.0365","","","0.0718","0.0785","","","","","","1.032","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203702","17.404","0.004","12.702","0.003","15.22","0.005","90","","100.46","0.02","90","","3308.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Fe Na3 O17 -","- C6 H10 Fe Na3 O17 -","- C48 H80 Fe8 Na24 O136 -","8","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0712","0.057","","","0.1434","0.1534","","","","","","1.097","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203703","13.231","0.003","13.395","0.003","15.823","0.003","85.6","0.03","86.42","0.03","62.85","0.03","2486.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 As2 Fe O12.5 -","- C53 H44 As2 Fe O12.5 -","- C106 H88 As4 Fe2 O25 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.073","0.0466","","","0.1213","0.1378","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203704","14.565","0.003","13.618","0.003","18.393","0.004","90","","111.28","0.03","90","","3399.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 As Fe N2 O9 -","- C38 H30 As Fe N2 O9 -","- C152 H120 As4 Fe4 N8 O36 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0549","0.0398","","","0.0923","0.1003","","","","","","1.014","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203705","9.4991","0.0019","14.279","0.003","14.557","0.003","103.57","0.03","99.94","0.03","105.77","0.03","1787.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 As Fe N2 O9 -","- C40 H28 As Fe N2 O9 -","- C80 H56 As2 Fe2 N4 O18 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0865","0.0525","","","0.1241","0.1424","","","","","","1.036","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203706","10.436","0.002","29.919","0.006","14.882","0.003","90","","99.47","0.03","90","","4583.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe2 N6 Na O19 -","- C42 H28 Fe2 N6 Na O19 -","- C168 H112 Fe8 N24 Na4 O76 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.1441","0.0794","","","0.2155","0.2587","","","","","","0.985","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203709","7.2504","0.0016","9.346","0.002","11.785","0.003","108.4","0.003","98.483","0.003","108.72","0.003","689.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cu N2 O5 -","- C12 H10 Cl2 Cu N2 O5 -","- C24 H20 Cl4 Cu2 N4 O10 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0364","0.0337","","","0.0933","0.0947","","","","","","1.096","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203710","6.4404","0.0004","9.7045","0.0006","13.6309","0.0008","76.339","0.001","84.205","0.001","78.894","0.001","810.96","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N4 O11 -","- C12 H10 Cu N4 O11 -","- C24 H20 Cu2 N8 O22 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0547","0.0478","","","0.1221","0.1255","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203711","17.974","0.006","19.563","0.006","18.139","0.006","90","","114.41","0.01","90","","5808","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 Ag2 F6 N8 O6 S2 -","- C42 H24 Ag2 F6 N8 O6 S2 -","- C168 H96 Ag8 F24 N32 O24 S8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1463","0.0553","","0.1432","0.1221","","","","0.764","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203712","22.5979","0.0012","9.886","0.0006","22.9546","0.0013","90","","103.113","0.002","90","","4994.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 Ag2 Cl4 N12 O6 S2 -","- C78 H60 Ag2 Cl4 N12 O6.004 S2 -","- C156 H120 Ag4 Cl8 N24 O12.008 S4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1018","0.0712","","0.2631","0.2357","","","","1.093","","","","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203713","24.888","0.009","15.171","0.005","32.904","0.011","90","","98.9","0.01","90","","12274","7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C356 H228 Ag8 F24 N68 O24 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.097","0.0611","","","0.1534","0.1628","","","","","","0.868","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203714","9.782","0.001","18.303","0.003","18.832","0.003","99.82","0.01","99.17","0.01","96.74","0.01","3243.4","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 Ag2 N9 O7 S2 Zn -","- C58 H47 Ag2 N9 O7 S2 Zn -","- C116 H94 Ag4 N18 O14 S4 Zn2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1023","0.0615","","0.171","0.1582","","","","0.971","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203715","16.27","0.0006","11.3714","0.0004","16.604","0.0006","90","","91.6986","0.0016","90","","3070.6","0.19","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, alpha polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, alpha polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0713","0.0621","","","0.1697","0.1822","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203716","20.1578","0.0002","10.0249","0.0001","16.2228","0.0001","90","","108.316","0.0008","90","","3112.22","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, beta polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, beta polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0445","0.0388","","","0.1051","0.111","","","","","","1.028","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203717","22.8535","0.0002","11.6789","0.0001","27.9986","0.0003","90","","107.612","0.0005","90","","7122.65","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.1025","0.0749","","","0.2076","0.2341","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203718","22.4565","0.0002","11.604","0.0001","27.9163","0.0003","90","","107.381","0.0004","90","","6942.41","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.109","0.0929","","","0.2487","0.2691","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203720","10.9119","0.0002","11.0748","0.0002","14.0183","0.0003","67.817","0.0009","70.609","0.001","65.733","0.001","1398.34","0.05","150","1","150","1","","","","","","","Synthesised by authors, see text","6","P -1","-P 1","2","(Trisaqua(18-crown-6)gadolinium(iii)) hexacyanoferrate(iii) dihydrate","[Trisaqua(18-crown-6)gadolinium(III)] hexacyanoferrate(III) dihydrate","","- C18 H34 Fe Gd N6 O11 -","- C18 H34 Fe Gd N6 O11 -","- C36 H68 Fe2 Gd2 N12 O22 -","2","1","","Rajesh Koner; Malabika Nayak; George Ferguson; John N. Low; Christopher Glidewell; Phalguni Misra; Sasankasekhar Mohanta","Strongly hydrogen bonded interlocked infinite double helices in a crown ether based gadolinium(iii) hexacyanoferrate(iii) supramolecule","CrystEngComm","2005","7","19","129","","10.1039/b418173e","","","0.71073","MoKα","","0.0241","0.0217","","","0.0653","0.0666","","","","","","1.201","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203721","7.4613","0.0009","20.3543","0.0019","20.47","0.002","90","","95.439","0.006","90","","3094.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cd1.5 N2 O18 S -","- C21 H39 Cd1.5 N2 O18 S -","- C84 H156 Cd6 N8 O72 S4 -","4","1","","Liu, Qing -Yan; Xu, Li","(H2O)12-containing infinite chain encapsulated in supramolecular open framework built of cadmium(ii), 1,3-di(4-pyridyl)propane and 5-sulfoisophthalic acid monosodium salt","CrystEngComm","2005","7","12","87","","10.1039/b418341j","","","0.71073","MoKα","","0.055","0.0487","","","0.0954","0.0987","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203722","6.9376","0.0002","7.445","0.0002","9.1267","0.0002","97.732","0.002","103.958","0.002","115.766","0.002","396.24","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0477","0.0414","","0.1173","0.1155","0.1173","","","","","","0.9936","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203723","8.9537","0.0011","5.4541","0.0006","13.61","0.004","90","","104.93","0.02","90","","642.2","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0724","0.0526","","0.1026","0.0957","0.1026","","","","","","1.0911","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203724","6.7254","0.0002","13.2572","0.0004","8.0529","0.0002","90","","98.603","0.002","90","","709.92","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0618","0.0419","","0.0913","0.0842","0.0913","","","","","","0.9736","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203731","8.868","0.001","9.123","0.001","45.055","0.005","90","","94.413","0.001","90","","3634.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(terpy)2](PF6)2.DMF","","","- C33 H29 F12 N7 Ni O P2 -","- C33 H29 F12 N7 Ni O P2 -","- C132 H116 F48 N28 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71069","MoKα","","0.0602","0.0567","","","0.1471","0.1491","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203732","8.7687","0.0017","8.9641","0.0018","44.959","0.009","90","","90","","90","","3533.9","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F12 N6 Ni O P2 -","- C33 H28 F12 N6 Ni O P2 -","- C132 H112 F48 N24 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71073","MoKα","","0.0754","0.074","","","0.1807","0.1816","","","","","","1.161","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203733","8.668","0.005","9.278","0.006","20.214","0.009","78.8","0.04","78.24","0.04","87.93","0.03","1561.2","1.6","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 Fe N6 O3 -","- C30 H24 B2 F8 Fe N6 O3 -","- C60 H48 B4 F16 Fe2 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.053","","","","0.081","","","","","","1.95","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203734","8.7533","0.001","8.9226","0.001","19.8607","0.0023","90","0.005","99.557","0.005","90","0.005","1529.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ru(terpy)(terpyOH)](BF4)2.H2O","","- C30 H22 B2 F8 N6 O2 Ru -","- C30 H22 B2 F8 N6 O2 Ru -","- C60 H44 B4 F16 N12 O4 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71069","MoKα","","0.0406","0.0401","","","0.1094","0.1099","","","","","","1.065","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203735","8.737","0.002","9.345","0.003","20.224","0.005","78.64","0.02","78.32","0.02","87.73","0.02","1585.4","0.8","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 N6 O3 Ru -","- C30 H24 B2 F8 N6 O3 Ru -","- C60 H48 B4 F16 N12 O6 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.041","","","","0.067","","","","","","1.8","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203736","8.806","0.002","9.047","0.001","20.163","0.004","90","","98.38","0.01","90","","1589.2","0.5","294","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Cu F8 N6 O3 -","- C30 H21 B2 Cu F8 N6 O3 -","- C60 H42 B4 Cu2 F16 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.051","","","","0.068","","","","","","1.27","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203737","8.774","0.003","8.871","0.002","38.795","0.009","90","","90","","90","","3019.6","1.4","294","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 B2 F8 N6 Ni O2 -","- C30 H20 B2 F8 N6 Ni O2 -","- C120 H80 B8 F32 N24 Ni4 O8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.046","","","","0.058","","","","","","1.97","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203742","6.6875","0.0006","12.1818","0.0012","12.3924","0.0012","90","","90","","90","","1009.56","0.17","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0585","","","","","","1.089","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203743","14.5782","0.0007","5.4156","0.0003","13.0424","0.0007","90","","104.479","0.001","90","","996.99","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0359","0.0306","","","0.0815","0.084","","","","","","1.064","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203744","8.5479","0.0008","15.9729","0.0014","9.6655","0.0008","90","","110.722","0.002","90","","1234.3","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","binicotinic acid dihydrate","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.04","0.0368","","","0.1054","0.1092","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203745","10.665","0.006","6.222","0.003","11.579","0.006","90","","116.74","0.009","90","","686.2","0.6","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","binicotinic acid hydrochloride dihydrate","","","- C12 H13 Cl N2 O6 -","- C12 H13 Cl N2 O6 -","- C24 H26 Cl2 N4 O12 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0517","0.0471","","","0.1202","0.1229","","","","","","1.166","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203746","12.9485","0.0018","5.9793","0.0008","8.6189","0.0012","90","","96.16","0.002","90","","663.45","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","binicotinic acid dihydrochloride","","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C24 H20 Cl4 N4 O8 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0243","0.0242","","","0.0636","0.0637","","","","","","1.07","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203749","10.815","0.002","9.4999","0.0019","35.478","0.007","90","","90","","90","","3645.1","1.2","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-dihydrate-methanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol","","- C41 H41 Ag N2 O7 -","- C41 H41 Ag N2 O7 -","- C164 H164 Ag4 N8 O28 -","4","1","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0669","0.0368","","","0.064","0.0707","","","","","","0.935","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203750","24.024","0.006","10.689","0.002","10.982","0.002","90","","108.657","0.004","90","","2671.9","1","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","(tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","[tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","","- C62 H62 Cd N4 O9 -","- C62 H62 Cd N4 O9 -","- C124 H124 Cd2 N8 O18 -","2","0.5","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0308","0.0269","","","0.0454","0.0467","","","","","","0.93","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203751","9.373","0.003","10.796","0.003","18.074","0.005","78.215","0.005","81.104","0.005","89.636","0.005","1768.2","0.9","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1471","0.0594","","","0.1082","0.1335","","","","","","0.883","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203752","9.3931","0.0016","10.8023","0.0018","18.105","0.003","78.274","0.003","81.002","0.003","89.577","0.003","1776","0.5","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1041","0.0498","","","0.0667","0.0794","","","","","","0.924","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203753","17.856","0.002","20.231","0.002","7.0472","0.0007","90","","103.15","0.002","90","","2479","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5.75 H4.38 Cl2.5 Co0.75 N4.13 -","- C5 H3 Cl1.5 Co0.75 N4 -","- C40 H24 Cl12 Co6 N32 -","8","1","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0455","0.0359","","","0.0874","0.0894","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203754","18.0112","0.0016","6.3741","0.0006","13.9426","0.0013","90","","109.359","0.002","90","","1510.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2(DPZTZ)","Cadmium (II) nitrate 3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 Cd N10 O6 -","- C10 H6 Cd N10 O6 -","- C40 H24 Cd4 N40 O24 -","4","0.5","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0257","0.0208","","","0.046","0.0484","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203756","29.649","0.006","21.016","0.004","12.252","0.003","90","","92.14","0.03","90","","7629","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H44 N18 O0.96 Zn2 -","- C76 H44 N18 O0.961 Zn2 -","- C304 H176 N72 O3.844 Zn8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1197","0.0818","","","0.205","0.2265","","","","","","0.951","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203757","10.886","0.002","12.317","0.003","14.535","0.003","65.05","0.03","76.62","0.03","70.07","0.03","1652.4","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.0643","0.043","","","0.1011","0.1089","","","","","","0.904","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203758","9.2854","0.0019","20.135","0.004","18.572","0.004","90","","90.15","0.03","90","","3472.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 N10 Zn -","- C45 H30 N10 Zn -","- C180 H120 N40 Zn4 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1505","0.0872","","","0.2524","0.2878","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203765","15.754","0.004","26.877","0.007","19.244","0.005","90","","90.065","0.004","90","","8148","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Co2 N16 O7 S4 -","- C82 H74 Co2 N16 O7 S4 -","- C328 H296 Co8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","","0.71073","MoKα","","0.0665","0.0543","","","0.1389","0.151","","","","","","1.063","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203766","15.772","0.005","26.984","0.008","19.254","0.006","90","","90.019","0.005","90","","8194","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Fe2 N16 O7 S4 -","- C82 H74 Fe2 N16 O7 S4 -","- C328 H296 Fe8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","x-ray","0.71073","MoKα","","0.1089","0.0577","","","0.1278","0.1608","","","","","","1.037","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203776","7.811","0.003","11.056","0.002","8.938","0.001","90","","98.02","0.02","90","","764.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0738","0.0353","","","0.0725","0.0809","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203777","7.6924","0.0006","10.9917","0.0008","8.9403","0.0007","90","","97.213","0.001","90","","749.94","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0223","0.0222","","","0.0578","0.0579","","","","","","1.081","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203778","7.701","0.003","10.977","0.002","8.943","0.005","90","","97.15","0.02","90","","750.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 Co N4 -","- C14 H14 Cl2 Co N4 -","- C28 H28 Cl4 Co2 N8 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0292","0.0286","","","0.0712","0.0716","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203779","8.989","0.0012","9.8015","0.0013","11.403","0.002","112.076","0.002","94.424","0.002","108.021","0.002","863.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0567","0.037","","","0.0814","0.0908","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203780","7.4357","0.001","9.7115","0.0013","12.026","0.002","70.913","0.002","81.101","0.002","80.143","0.002","804","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0329","0.0293","","","0.0719","0.0743","","","","","","0.986","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203781","6.9179","0.0009","10.7325","0.0014","12.898","0.002","66.496","0.002","86.813","0.002","89.574","0.002","876.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0563","0.0374","","","0.0906","0.1007","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203782","16.113","0.003","4.2049","0.0009","28.34","0.006","90","","90","","90","","1920.1","0.7","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C10 H10 Au Br4 Cl I2 N2 -","- C10 H10 Au Br3.654 Cl1.346 I2 N2 -","- C40 H40 Au4 Br14.616 Cl5.384 I8 N8 -","4","0.5","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0915","0.0476","","","0.1134","0.1343","","","","","","1.034","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203783","14.5518","0.0011","13.7363","0.001","14.6547","0.001","90","","92.389","0.001","90","","2926.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl12 Fe2 N3 -","- C15 H15 Cl12 Fe2 N3 -","- C60 H60 Cl48 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0426","0.0324","","","0.0843","0.089","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203784","14.583","0.011","13.96","0.01","14.695","0.011","90","","91.716","0.014","90","","2990","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br3 Cl9 Fe2 N3 -","- C15 H15 Br3 Cl9 Fe2 N3 -","- C60 H60 Br12 Cl36 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.1413","0.0712","","","0.1691","0.2075","","","","","","0.909","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203785","9.894","0.002","21.852","0.004","11.64","0.002","90","","98.807","0.003","90","","2486.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl10 N3 Pt -","- C15 H15 Cl10 N3 Pt -","- C60 H60 Cl40 N12 Pt4 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0502","0.0405","","","0.1259","0.1321","","","","","","1.086","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203794","9.1213","0.0006","9.1213","0.0006","7.1103","0.0009","90","","90","","120","","512.31","0.08","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 N6 P S -","- C3 H15 N6 P S -","- C6 H30 N12 P2 S2 -","2","0.333333","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0215","0.0213","","","0.0554","0.0555","","","","","","1.074","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203795","13.226","0.003","9.956","0.002","13.349","0.003","90","","90","","90","","1757.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H15 N6 O P -","- C3 H15 N6 O P -","- C24 H120 N48 O8 P8 -","8","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0378","0.0345","","","0.0931","0.0954","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204391","12.111","0.0009","12.111","0.0009","6.543","0.0004","90","","90","","90","","959.7","0.12","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Pb","Ph4Pb","","- C6 H5 Pb0.25 -","- C6 H5 Pb0.25 -","- C48 H40 Pb2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0559","0.0487","","","0.1319","0.1496","","","","","","1.103","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204392","12.068","0.0004","12.068","0.0004","6.557","0.0003","90","","90","","90","","954.94","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Sn","Ph4Sn","","- C24 H20 Sn -","- C24 H20 Sn -","- C48 H40 Sn2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0338","0.0238","","","0.0594","0.0671","","","","","","1.132","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204393","11.616","0.0005","11.616","","6.902","0.0003","90","","90","","90","","931.3","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Ge","Ph4Ge","","- C24 H20 Ge -","- C24 H20 Ge -","- C48 H40 Ge2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0345","0.0258","","","0.0626","0.0667","","","","","","1.039","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204394","11.4476","0.0009","11.4476","0.0009","7.0644","0.0006","90","","90","","90","","925.77","0.13","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Si","Ph4Si","","- C6 H5 Si0.25 -","- C6 H5 Si0.25 -","- C48 H40 Si2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0456","0.0348","","","0.0745","0.0824","","","","","","1.033","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204395","10.905","0.001","10.905","0.001","7.285","0.0005","90","","90","","90","","866.33","0.13","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","Ph4C","Ph4C","","- C6.25 H5 -","- C6.25 H5 -","- C50 H40 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.065","0.0388","","","0.0816","0.0946","","","","","","1.066","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204509","7.202","0.001","11.18","0.002","18.192","0.004","90","","100.48","0.03","90","","1440.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N7 O4 S -","- C9 H17 N7 O4 S -","- C36 H68 N28 O16 S4 -","4","1","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.0951","0.0463","","","0.1073","0.1253","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204510","9.4365","0.0005","23.7247","0.0019","7.0598","0.0004","90","","93.656","0.004","90","","1577.32","0.18","150","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N6 O8 S -","- C10 H18 N6 O8 S -","- C40 H72 N24 O32 S4 -","4","0.5","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.1175","0.0542","","","0.1226","0.1445","","","","","","1.027","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204546","8.5807","0.0011","14.25","0.002","12.114","0.002","90","","109.853","0.002","90","","1393.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 Cu N8 O4 -","- C22 H36 Cl2 Cu N8 O4 -","- C44 H72 Cl4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0715","0.0366","","","0.0627","0.0697","","","","","","0.873","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204547","9.036","0.003","12.689","0.004","16.37","0.005","94.62","0.005","97.051","0.005","91.02","0.005","1856","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Br2 Cu N8 O2 -","- C10 H24 Br2 Cu N8 O2 -","- C40 H96 Br8 Cu4 N32 O8 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0807","0.0473","","","0.116","0.136","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204548","10.859","0.004","24.988","0.008","7.662","0.003","90","","96.259","0.005","90","","2066.7","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cl2 Cu N8 O3 -","- C12 H30 Cl2 Cu N8 O3 -","- C48 H120 Cl8 Cu4 N32 O12 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.1471","0.0998","","","0.2367","0.2566","","","","","","1.092","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204549","7.6304","0.001","12.062","0.002","12.964","0.002","71.233","0.002","78.914","0.002","80.827","0.002","1102.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 Br2 Cu N8 O3 -","- C13 H32 Br2 Cu N8 O3 -","- C26 H64 Br4 Cu2 N16 O6 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0492","0.0317","","","0.0717","0.0751","","","","","","0.984","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204550","5.223","0.001","16.539","0.004","11.802","0.003","90","","102.806","0.005","90","","994.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br2 Cu N8 O4 -","- C10 H28 Br2 Cu N8 O4 -","- C20 H56 Br4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.6942","Synchrotron","","0.0858","0.0586","","","0.0914","0.0967","","","","","","1.139","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204551","5.2682","0.0008","13.403","0.002","11.065","0.002","90","","94.56","0.003","90","","778.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl2 Cu N8 O2 -","- C8 H20 Cl2 Cu N8 O2 -","- C16 H40 Cl4 Cu2 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0557","0.0394","","","0.0931","0.0979","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204552","6.983","0.0011","16.174","0.0017","12.36","0.004","90","","99.31","0.02","90","","1377.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-hydroxyquinolinium salicylate","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","2","","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound","CrystEngComm","2003","5","11","58","","10.1039/b210197c","","","1.5418","CuKα","","0.0367","0.0344","","","0.0998","0.1027","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204555","17.17","0.006","14.26","0.004","24.02","0.008","90","","90","","90","","5881","3","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H40 N2 O3 -","- C32 H40 N2 O3 -","- C256 H320 N16 O24 -","8","2","","Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Monohelical self-assembly of 5-alkoxyisophthalamides","CrystEngComm","2003","5","6","38","","10.1039/b210303f","","","0.71073","MoKα","","0.1395","0.0597","","","0.1208","0.1378","","","","","","1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204559","5.383","0.001","15.581","0.003","12.685","0.002","90","","101.746","0.004","90","","1041.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cu N10 O8 -","- C12 H8 Cu N10 O8 -","- C24 H16 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","","","0.1057","0.0729","","","0.1831","0.1977","","","","","","1.064","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204560","5.2725","0.0005","15.204","0.0015","13.9432","0.0013","90","","99.532","0.002","90","","1102.3","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H28 B2 Cu F8 N8 O2 -","- C12 H28 B2 Cu F8 N8 O2 -","- C24 H56 B4 Cu2 F16 N16 O4 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","Synchrotron","","0.0508","0.0456","","","0.1135","0.1152","","","","","","1.074","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204561","11.1621","0.0011","16.1935","0.0015","17.328","0.002","83.861","0.002","74.106","0.002","81.143","0.002","2969.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H35 Cu N10 O9 -","- C22.5 H33 Cu N10 O9 -","- C90 H132 Cu4 N40 O36 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.1062","0.0522","","","0.1297","0.1505","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204562","5.03","0.0002","15.4696","0.0002","12.3914","0.0005","90","","95.916","0.002","90","","959.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cu N10 O8 -","- C10 H24 Cu N10 O8 -","- C20 H48 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6982","Synchrotron","","0.1056","0.0948","","","0.2457","0.2489","","","","","","1.208","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204563","5.118","0.0006","14.676","0.002","13.913","0.002","90","","99.989","0.002","90","","1029.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 B2 Cu F8 N8 O2 -","- C10 H24 B2 Cu F8 N8 O2 -","- C20 H48 B4 Cu2 F16 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.0356","0.0275","","","0.0747","0.0778","","","","","","1.038","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204564","7.149","0.003","10.468","0.004","11.295","0.003","90","","90","","90","","845.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Co N O6 -","- C5 H7 Co N O6 -","- C20 H28 Co4 N4 O24 -","4","1","","Zhang, Yugen; Saha, Manas K.; Bernal, Ivan","[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels","CrystEngComm","2003","5","5","34","","10.1039/b210753h","","x-ray","0.71073","MoKα","","0.0307","0.0283","","","0.0799","0.081","","","","","","1.188","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204565","8.135","0.002","12.011","0.003","12.048","0.002","79.86","0.01","89.486","0.005","78.146","0.006","1133.7","0.4","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","1","0.5","","Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Saito, Gunzi","Hydrogen-bonded supramolecular (2,2'-bi-1H-benzimidazole)(2-(2-1H-benzimidazolyl)-1H-benzimidazolium+)2(Cl‒) as an electron donor in a TCNQ complex","CrystEngComm","2003","5","10","54","","10.1039/b210879h","","","0.7107","MoKα","","","0.059","","","","0.092","","","","","","0.599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204566","11.689","0.001","14.482","0.001","18.587","0.002","90","","90","","90","","3146.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Ag3 N S8 W2 -","- C16 H36 Ag3 N S8 W2 -","- C64 H144 Ag12 N4 S32 W8 -","4","1","","Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan","Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n","CrystEngComm","2003","5","12","62","","10.1039/b210937a","","","0.71073","MoKα","","0.0568","0.0486","","","0.1269","0.1314","","","","","","1.041","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204570","45.207","0.009","6.465","0.001","7.416","0.001","90","","90","","90","","2167.4","0.6","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine","","- C27 H18 Cl N3 O2 -","- C27 H18 Cl N3 O2 -","- C108 H72 Cl4 N12 O8 -","4","0.5","","Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás","Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal","CrystEngComm","2003","5","7","42","","10.1039/b211206j","","","1.54184","CUkα","","0.0428","0.033","","","0.0904","0.0951","","","","","","1.025","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204571","6.545","0.01","28.28","0.006","11.633","0.002","90","0.003","103.37","0.03","90","0.003","2095","3","100","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O5 -","- C21 H23 Cl N4 O5 -","- C84 H92 Cl4 N16 O20 -","4","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.1062","0.0817","","","0.1836","0.1935","","","","","","1.334","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204572","7.271","0.001","9.144","0.002","16.674","0.003","86.93","0.03","80.92","0.03","85.43","0.03","1090.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25.4 Cl N4 O6.2 -","- C21 H25 Cl N4 O6.2 -","- C42 H50 Cl2 N8 O12.4 -","2","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.0887","0.0534","","","0.0949","0.1081","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204573","12.9719","0.0015","15.119","0.002","16.799","0.003","100.572","0.011","104.897","0.011","113.581","0.01","2761.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H56 O5 -","- C70 H56 O5 -","- C140 H112 O10 -","2","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1015","0.06","","","0.1571","0.1861","","","","","","1.017","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7204574","13.22","0.003","10.568","0.004","15.517","0.004","90","","105.954","0.017","90","","2084.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37.5 N O2 -","- C25 H29 O2 -","- C100 H116 O8 -","4","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1314","0.0589","","","0.1133","0.1407","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204575","5.5028","0.0013","7.0583","0.0016","8.2718","0.0019","70.112","0.004","85.814","0.004","74.095","0.004","290.48","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 N2 O4 -","- C4 H6 N2 O4 -","- C8 H12 N4 O8 -","2","1","","Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L.","A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/","CrystEngComm","2003","5","2","3","","10.1039/b211784c","","","0.71073","MoKα","","0.0408","0.0379","","","0.1048","0.1075","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204576","3.8364","0.001","12.916","0.002","12.221","0.003","90","","93.91","0.03","90","","604.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl1.032 N0.968 O1.936 -","- C28 H20 Cl2.064 N1.936 O3.872 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1116","0.0727","","","0.1628","0.1783","","","","","","0.865","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204577","3.818","0.0006","13.0067","0.0019","12.478","0.002","90","","94.371","0.019","90","","617.85","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C28 H20 N4 O8 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1202","0.0608","","","0.1446","0.1632","","","","","","0.802","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204591","25.6343","0.0006","25.6343","0.0006","31.3646","0.0006","90","","90","","120","","17849","0.7","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H40 N O P3 Pt -","- C43 H40 N O P3 Pt -","- C774 H720 N18 O18 P54 Pt18 -","18","1","","Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.","An organoplatinum molecular hexagon that crystallizes in a hexagonal array","CrystEngComm","2003","5","13","65","","10.1039/b212734b","","","0.71073","MoKα","","0.0598","0.0412","","","0.1185","0.1285","","","","","","1.063","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204594","13.407","0.003","10.039","0.003","17.115","0.007","90","","90.6","0.03","90","","2303.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprim p-toluenesulfonate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-methylbenzene sulfonate","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C84 H104 N16 O24 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0681","0.0412","","","0.1016","0.1158","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204595","17.855","0.004","6.136","0.01","21.349","0.004","90","","109.08","0.003","90","","2210","4","120","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethoprim sulfanilate monohydrate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-aminobenzene sulfonate","","- C20 H27 N5 O7 S -","- C20 H27 N5 O7 S -","- C80 H108 N20 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0822","0.0631","","","0.1508","0.163","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204596","17.507","0.002","6.323","0.003","21.35","0.002","90","","107.8","0.02","90","","2250.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium) benzenesulfonate, monohydrate.","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium] benzenesulfonate, monohydrate.","","- C20 H26 N4 O7 S -","- C20 H26 N4 O7 S -","- C80 H104 N16 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.156","0.0389","","","0.0671","0.093","","","","","","0.714","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204597","11.442","0.002","18.769","0.003","12.783","0.003","90","","114.18","0.03","90","","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3- carboxy-4-hydroxybenzene sulfonate dihydrate","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3-carboxy-4-hydroxybenzene sulfonate dihydrate","","- C21 H28 N4 O11 S -","- C21 H28 N4 O11 S -","- C84 H112 N16 O44 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.2598","0.0516","","","0.0599","0.0906","","","","","","0.793","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204607","6.2565","0.0006","10.8094","0.0005","17.2183","0.0016","106.78","0.006","93.498","0.006","102.78","0.006","1077.49","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C46 H60 O10 -","2","1","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","1.54184","CuKα","","0.0665","0.0653","","","0.2191","0.2192","","","","","","1.362","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204608","9.8539","0.0001","9.2288","0.0001","33.0868","0.0005","90","","92.658","0.0007","90","","3005.67","0.06","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C144 H152 O24 -","4","2","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","0.71073","MoKα","","0.0387","0.0328","","","0.0656","0.0673","","","","","","1.048","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204610","12.588","0.003","11.726","0.002","8.987","0.0018","90","","90","","90","","1326.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co F2 O6 -","- C14 H11 Co F2 O6 -","- C56 H44 Co4 F8 O24 -","4","0.5","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0692","0.0433","","","0.1155","0.1311","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204611","7.833","0.0016","11.696","0.002","14.435","0.003","90","","100.13","0.03","90","","1301.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co F O6 -","- C14 H12 Co F O6 -","- C56 H48 Co4 F4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0681","0.0437","","","0.1115","0.1264","","","","","","1.021","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204612","7.452","0.003","12.949","0.003","14.886","0.005","90","","102.36","0.03","90","","1403.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl Co O6 -","- C14 H12 Cl Co O6 -","- C56 H48 Cl4 Co4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0433","0.0391","","","0.1051","0.1085","","","","","","1.07","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204616","5.0842","0.0008","5.4202","0.0009","18.831","0.003","90","","94.126","0.004","90","","517.59","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3'-DPTZ","3,6-Di-pyridin-3-yl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0769","0.0386","","","0.0838","0.0972","","","","","","0.878","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204617","5.0029","0.0009","5.4035","0.001","18.788","0.004","90","","92.776","0.004","90","","507.3","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0583","0.0439","","","0.1202","0.1303","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204618","12.968","0.002","5.596","0.001","6.813","0.001","90","","92.099","0.003","90","","494.08","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-pyrazyl-tetrazine","3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 N8 -","- C10 H6 N8 -","- C20 H12 N16 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0368","0.0346","","","0.1","0.1017","","","","","","1.064","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204619","10.0506","0.0015","10.3341","0.0014","11.1873","0.0016","66.406","0.003","89.958","0.003","71.145","0.002","996.5","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag Cl N0 O4 S2 -","- C18 H22 Ag Cl O4 S2 -","- C36 H44 Ag2 Cl2 O8 S4 -","2","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0899","0.0543","","","0.1229","0.1404","","","","","","0.943","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204620","12.5416","0.0007","9.1826","0.0005","17.4612","0.001","90","","99.573","0.001","90","","1982.91","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag N O3 S2 -","- C18 H22 Ag N O3 S2 -","- C72 H88 Ag4 N4 O12 S8 -","4","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0294","0.0252","","","0.0698","0.0731","","","","","","1.076","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204621","11.5428","0.0002","12.485","0.0002","18.4962","0.0003","97.196","0.0006","106.027","0.0006","107.916","0.0006","2372.42","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 B20 N2 O19 W5 -","- C18 H54 B20 N2 O19 W5 -","- C36 H108 B40 N4 O38 W10 -","2","1","","Macías, Ramón; Kennedy, John D.; Thornton-Pett, Mark; Román, Pascual","The 'globule‒globule' hybrid dicarbaborane‒polyoxometallate salt, [C2B10H11CH2NHCH(CH3)2]4[W10O32][H2O]2[(CH3)2CO]4","CrystEngComm","2003","5","19","93","","10.1039/b302341a","","","0.71073","MoKα","","0.0399","0.0369","","","0.0949","0.098","","","","","","1.082","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204622","10.1635","0.0016","19.999","0.003","20.833","0.003","90","","103.159","0.003","90","","4123.3","1.1","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl2 Fe N6 Ni O16.5 -","- C29 H30 Cl2 Fe N6 Ni O16.5 -","- C116 H120 Cl8 Fe4 N24 Ni4 O66 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.2003","0.0733","","","0.1789","0.2366","","","","","","0.877","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204623","10.4651","0.0005","18.6142","0.001","20.3093","0.0011","90","","102.868","0.001","90","","3856.9","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 Cl2 Fe N6 Ni O17 -","- C31 H26 Cl2 Fe N6 Ni O17 -","- C124 H104 Cl8 Fe4 N24 Ni4 O68 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.064","0.044","","","0.123","0.1343","","","","","","1.059","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204624","10.4799","0.0004","19.5611","0.0006","20.0708","0.0007","90","","103.669","0.001","90","","3997.9","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 Cl2 Fe N7 Ni O18 -","- C30 H29 Cl2 Fe N7 Ni O18 -","- C120 H116 Cl8 Fe4 N28 Ni4 O72 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.0581","0.0396","","","0.104","0.1123","","","","","","1","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204625","9.7081","0.0013","19.095","0.003","18.094","0.002","90","","98.035","0.003","90","","3321.3","0.8","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 Fe N8 Ni O4 S2 -","- C27 H16 Cl3 Fe N8 Ni O4 S2 -","- C108 H64 Cl12 Fe4 N32 Ni4 O16 S8 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1197","0.0675","","","0.1897","0.2175","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204626","14.9691","0.0006","14.9691","0.0006","30.3224","0.0017","90","","90","","90","","6794.5","0.5","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C25 H23.5 Br Cl Fe N6 Ni O10.75 -","- C25 H16 Br Cl Fe N6 Ni O10.75 -","- C200 H128 Br8 Cl8 Fe8 N48 Ni8 O86 -","8","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.132","0.0675","","","0.1563","0.1825","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204627","32.323","0.003","17.0606","0.0014","20.7616","0.0017","90","","90","","90","","11449","1.7","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H75 Cl19 Fe5 N18 O37 -","- C79 H48 Cl19 Fe5 N18 O37 -","- C316 H192 Cl76 Fe20 N72 O148 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1567","0.0787","","","0.2145","0.2617","","","","","","1.027","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204628","8.9267","0.0006","12.2683","0.0008","13.3292","0.0009","90.215","0.002","101.813","0.002","97.288","0.002","1416.63","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","1","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1241","0.0616","","","0.1428","0.1688","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204629","32.999","0.002","17.1473","0.0011","20.9802","0.0013","90","","90","","90","","11871.5","1.3","200","2","200","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39 -","- C78.5 H48 Cl17.5 Fe2 N18 Ni3 O39 -","- C314 H192 Cl70 Fe8 N72 Ni12 O156 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1578","0.0854","","","0.2488","0.2994","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204631","11.564","0.002","16.393","0.003","16.793","0.003","90","","90","","90","","3183.4","1","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.0979","0.0666","","","0.1802","0.2048","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204632","11.377","0.002","15.982","0.003","16.191","0.003","90","","90","","90","","2944","0.9","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","","- C34 H34 O4 S2 -","- C34 H34 O4 S2 -","- C136 H136 O16 S8 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.1096","0.097","","","0.206","0.2108","","","","","","1.226","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204634","14.218","0.003","41.861","0.008","17.664","0.004","90","","106.29","0.03","90","","10091","4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H98 N4 O62 -","- C96 H98 N4 O62 -","- C384 H392 N16 O248 -","4","1","","Almeida Paz, Filipe A.; Klinowski, Jacek","Supramolecular architecture of a novel salt of trimesic acid and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2003","5","41","238","","10.1039/b302949b","","","0.71073","MoKα","","0.1061","0.0588","","","0.1349","0.1586","","","","","","1.044","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204640","12.8274","0.0007","12.8274","0.0007","14.2567","0.0007","90","","90","","90","","2345.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C18 H15 Cr N12 O4 S -","- C18 H12 Cr N12 O4 S -","- C72 H48 Cr4 N48 O16 S4 -","4","0.5","","Krister Larsson; Lars Öhrström","A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes","CrystEngComm","2003","5","38","222","225","10.1039/b303107a","","x-ray","0.924","synchrotron","","0.0707","0.0692","","","0.1969","0.2001","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204642","26.361","0.013","6.777","0.003","15.553","0.008","90","","95.44","0.008","90","","2766","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C120 H104 N40 O24 -","8","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid‒bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.1436","0.0662","","","0.1474","0.176","","","","","","0.898","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204643","19.174","0.003","6.7825","0.001","32.748","0.005","90","","91.246","0.003","90","","4257.8","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C180 H156 N60 O36 -","12","1.5","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid‒bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.0901","0.0568","","","0.1425","0.1563","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204644","13.3658","0.0002","19.5386","0.0003","24.7121","0.0004","85.67","","84.58","","88.38","","6404.9","0.17","90","1","90","1","","","","","","","","4","P -1","-P 1","2","bis-(tetraphenylporphirinate Zn(ii))pyrazine fullerene molecular complex","bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex","","- C190.5 H98.02 N10.66 Zn2 -","- C190.5 H98.02 N10.66 Zn2 -","- C381 H196.04 N21.32 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Coppens, Philip; Lyubovskaya, Rimma N.","Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]�C60�5.34C7H8�0.66C6H5CNElectronic supplementary information (ESI) available: charaterisation for compound 1. See http://www.rsc.org/suppdata/ce/b3/b303415a/","CrystEngComm","2003","5","25","137","","10.1039/b303415a","","","0.71073","MoKα","","0.0775","0.0625","","","0.1729","0.1831","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204645","9.142","0.0002","9.6756","0.0002","19.9513","0.0005","79.184","0.001","83.998","0.001","68.436","0.001","1610.88","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","3-(2,7-Dibromo-fluoren-9-ylidene)-2-(9-(3-oxo-3-phenyl-prop-1- ynyl)-9H-fluoren-9-yl)-1-phenyl-propenone","3-(2,7-Dibromo-fluoren-9-ylidene)-2-[9-(3-oxo-3-phenyl-prop-1-ynyl)- 9H-fluoren-9-yl]-1-phenyl-propenone","","- C44 H24 Br2 O2 -","- C44 H24 Br2 O2 -","- C88 H48 Br4 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.0928","0.0523","","","0.1191","0.1338","","","","","","1.026","","","","has coordinates","275182","2022-05-07","01:28:21",""
"7204646","9.5423","0.0002","9.8723","0.0002","20.2727","0.0004","83.159","0.001","87.31","0.001","76.521","0.001","1843.59","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","2-(2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9- yl)-3-fluoren-9-ylidene-1-phenyl-propenone","2-[2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9-yl]-3- fluoren-9-ylidene-1-phenyl-propenone","","- C45 H25 Br2 Cl3 O2 -","- C45 H25 Br2 Cl3 O2 -","- C90 H50 Br4 Cl6 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.139","0.0635","","","0.1564","0.1799","","","","","","1.068","","","","has coordinates","275182","2022-05-07","01:28:21",""
"7204650","6.317","0.004","9.643","0.005","12.877","0.007","90","","92.574","0.009","90","","783.6","0.8","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexaaquairon(ii)-H2piperazinedium-bis(hydrogenphosphate)","Hexaaquairon(II)-H2piperazinedium-bis(hydrogenphosphate)","","- C4 H26 Fe N2 O14 P2 -","- C4 H26 Fe N2 O14 P2 -","- C8 H52 Fe2 N4 O28 P4 -","2","0.5","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0471","0.033","","","0.0819","0.0875","","","","","","1.02","","","","has coordinates","297168","2025-01-07","09:57:37",""
"7204651","9.815","0.002","9.7225","0.0019","9.877","0.002","90","","102.87","0.03","90","","918.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium-(aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(iii))-hydrate","Ammonium-[aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(III)]-hydrate","","- Fe2 H9 N O11 P2 -","- Fe2 H9 N O11 P2 -","- Fe8 H36 N4 O44 P8 -","4","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0416","0.0369","","","0.099","0.1044","","","","","","1.089","","","","has coordinates","297168","2025-01-07","09:57:42",""
"7204652","6.3554","0.0016","9.166","0.002","15.311","0.004","90.27","0.004","91.338","0.004","106.594","0.004","854.5","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(iii)-0.25hydrate","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(III)-0.25hydrate","","- C4 H13 Fe3 N2 O17.25 P4 -","- C4 H13 Fe3 N2 O17.25 P4 -","- C8 H26 Fe6 N4 O34.5 P8 -","2","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0617","0.0419","","","0.0955","0.1054","","","","","","1.055","","","","has coordinates,has disorder","297168","2025-01-07","09:57:42",""
"7204659","8.4989","0.0003","10.4456","0.0004","19.6071","0.0007","102.094","0.001","95.528","0.001","99.56","0.002","1662.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","1","0.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.7107","MoKα","","0.103","0.0524","","","0.1258","0.1468","","","","","","1.034","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204660","8.581","0.0001","16.348","0.0002","27.262","0.0005","103.653","0.001","92.683","0.001","101.473","0.001","3624.36","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H86.66667 N6 O5.33333 S2 -","- C42 H86.6667 N6 O5.33333 S2 -","- C126 H260 N18 O16 S6 -","3","1.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71073","MoKα","","0.083","0.0489","","","0.1087","0.1246","","","","","","1.015","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7204661","16.788","0.0002","17.06","0.0002","18.313","0.0003","90","","90","","90","","5244.9","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H44 Br N5 S2 -","- C18 H44 Br N5 S2 -","- C144 H352 Br8 N40 S16 -","8","1","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71069","MoKα","","0.0752","0.0455","","","0.1113","0.1303","","","","","","1.041","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204662","6.0729","0.0001","9.4013","0.0002","20.6723","0.0004","90","","95.287","0.001","90","","1175.23","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0682","0.0411","","","0.0934","0.1056","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204663","7.0307","0.0001","10.7052","0.0002","11.9562","0.0002","87.755","0.001","82.735","0.001","73.835","0.001","857.36","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of resorcinol and isonicotinamide","1:2 molecular complex of resorcinol and isonicotinamide","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0623","0.0413","","","0.1043","0.1154","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204664","7.4967","0.0001","8.8748","0.0001","15.2793","0.0003","95.1886","0.0006","97.479","0.0006","105.77","0.0007","961.5","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C36 H44 N8 O14 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0467","0.0363","","","0.0926","0.0988","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204665","14.2811","0.0004","5.4136","0.0002","11.911","0.0003","90","","111.934","0.001","90","","854.21","0.05","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:2 molecular complex of hydroquinone and isonicotinamide","1:2 molecular complex of hydroquinone and isonicotinamide","","- C9 H9 N2 O2 -","- C9 H9 N2 O2 -","- C36 H36 N8 O8 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0832","0.0442","","","0.0957","0.1131","","","","","","1.04","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204666","21.731","0.004","10.588","0.002","11.685","0.002","90","","110.5","0.03","90","","2518.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N4 O4 S -","- C26 H28 Fe N4 O4 S -","- C104 H112 Fe4 N16 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0732","0.0358","","0.0817","0.0739","","","","0.895","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204667","6.8307","0.001","6.8307","0.001","14.404","0.002","90","","90","","90","","672.07","0.17","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C12 H8 Cd N2 O4 S -","- C12 H8 Cd N2 O4 S -","- C24 H16 Cd2 N4 O8 S2 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0231","0.0208","","0.0483","0.0479","","","","1.044","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204668","9.399","0.003","9.496","0.003","10.073","0.004","62.11","0.02","89.18","0.02","73","0.02","751.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cu N2 O7 S -","- C12 H12 Cu N2 O7 S -","- C24 H24 Cu2 N4 O14 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0739","0.0439","","0.1312","0.1199","","","","1.082","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204669","23.35","0.011","19.882","0.009","13.644","0.006","90","","106.29","0.02","90","","6080","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Co2 N6 O10 S2 -","- C38 H42 Co2 N6 O10 S2 -","- C152 H168 Co8 N24 O40 S8 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1023","0.0679","","0.1921","0.1807","","","","0.939","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204670","21.485","0.003","27.235","0.004","26.925","0.004","90","","90.24","0.01","90","","15755","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H152 N20 Ni6 O40 S6 -","- C120 H120 N20 Ni6 O40 S6 -","- C480 H480 N80 Ni24 O160 S24 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1647","0.1123","","0.3173","0.2802","","","","0.881","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204675","15.2583","0.001","9.7626","0.0008","8.294","0.0005","90","","97.46","0.008","90","","1225.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe O2 -","- C14 H18 Fe O2 -","- C56 H72 Fe4 O8 -","4","1","","Michael Schmittel; Mukul Lal; Marc Schlosser; Hans-Jörg Deiseroth","Unusual ladder-like supramolecular arrangement by cooperative effect of bifurcated O‒HO hydrogen bonding in crystals of racemic 4-ferrocenylbutan-1,2-diol","CrystEngComm","2003","5","50","294","299","10.1039/b304427k","","","0.71073","MoKα","","0.0354","0.027","","","0.0674","0.0697","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204676","8.06","0.0002","15.039","0.0004","16.817","0.0006","83.761","0.001","77.324","0.0011","88.522","0.002","1976.99","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H36 Cl3.5 N5 O3 -","- C46.417 H34.434 Cl3.416 N5 O3 -","- C92.834 H68.868 Cl6.832 N10 O6 -","2","1","","Vinodu, Mikki; Goldberg, Israel","New assembly modes of porphyrin-based networks","CrystEngComm","2003","5","36","204","","10.1039/b304665f","","","0.71073","MoKα","","0.1054","0.0661","","","0.1686","0.1933","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204677","5.2961","0.0002","7.8521","0.0003","7.9506","0.0004","90.03","0.002","106.037","0.002","95.972","0.003","315.89","0.02","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H8 Li N O4 -","- C5 H8 Li N O4 -","- C10 H16 Li2 N2 O8 -","2","2","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles","CrystEngComm","2003","5","45","262","","10.1039/b304689c","","","0.71073","MoKα","","0.0278","0.0262","","","0.0614","0.0627","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204678","10.423","0.004","7.033","0.003","8.951","0.004","90","","90","","90","","656.2","0.5","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","4-ethynylaniline","4-ethynylaniline","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0605","0.0544","","","0.1528","0.1641","","","","","","1.057","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204679","8.594","0.002","7.6166","0.0019","9.469","0.002","90","","90","","90","","619.8","0.2","203","2","203","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4-bromoaniline","4-bromoaniline","","- C6 H5 Br N -","- C6 H5 Br N -","- C24 H20 Br4 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0581","0.037","","","0.0929","0.1071","","","","","","1.108","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204680","8.422","0.007","4.965","0.004","8.645","0.007","90","","109.79","0.013","90","","340.1","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-iodoaniline","4-iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C12 H12 I2 N2 -","2","1","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0423","0.0391","","","0.0958","0.0974","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204682","6.961","0.001","14.442","0.003","7.434","0.001","90","","92.02","0.03","90","","746.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Co N O5 -","- C5 H6 Co N O5 -","- C20 H24 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71069","MoKα","","0.0774","0.036","","","0.0826","0.0934","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204683","6.9461","0.0012","14.269","0.003","7.432","0.001","90","","92.232","0.016","90","","736.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N O5 Zn -","- C5 H6 N O5 Zn -","- C20 H24 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.136","0.0518","","","0.0857","0.0969","","","","","","0.923","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204684","16.802","0.002","6.8884","0.0004","7.4787","0.0011","90","","115.119","0.01","90","","783.72","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 Co N O5 -","- C5 H4.5 Co N O5 -","- C20 H18 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0793","0.0747","","","0.1915","0.1962","","","","","","1.144","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204685","16.546","0.002","6.929","0.0005","7.4783","0.0008","90","","113.472","0.005","90","","786.42","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 N O5 Zn -","- C5 H4 N O5 Zn -","- C20 H16 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0563","0.0411","","","0.1137","0.1218","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204686","7.481","0.0006","12.2434","0.001","10.8863","0.0009","90","","108.526","0.002","90","","945.44","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C28 H44 Hg4 N4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.041","0.031","","","0.065","0.069","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204687","12.3186","0.0014","12.7707","0.0015","12.3438","0.0013","90","","91.394","0.002","90","","1941.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C56 H88 Hg8 N8 S16 -","8","2","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.116","0.055","","","0.109","0.131","","","","","","0.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204688","11.1294","0.0007","8.9365","0.0006","25.7799","0.0016","90","","90","","90","","2564","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Hg N S2 -","- C12 H13 Hg N S2 -","- C96 H104 Hg8 N8 S16 -","8","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.047","0.032","","","0.068","0.073","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204690","8.6181","0.0016","15.486","0.003","13.996","0.003","90","","93.97","0.003","90","","1863.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H30 N15 P3 -","- C6 H30 N15 P3 -","- C24 H120 N60 P12 -","4","1","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0312","0.0293","","","0.0798","0.081","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204691","17.227","0.003","31.187","0.006","8.3154","0.0017","90","","90.91","0.03","90","","4467","1.5","150","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N11 O2 P3 -","- C16 H28 N11 O2 P3 -","- C128 H224 N88 O16 P24 -","8","2","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0799","0.0591","","","0.1392","0.1559","","","","","","0.975","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204692","8.5038","0.001","8.8887","0.001","11.5366","0.0013","93.953","0.002","107.892","0.002","92.848","0.002","825.57","0.16","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","1","0.5","","Neve, Francesco; Crispini, Alessandra","N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I, C?H?M, and I?I interactions in the crystal structure of its hexaiododipalladate(II) derivativeElectronic supplementary information (ESI) available: Figure S1, Table S1. See http://www.rsc.org/suppdata/ce/b3/b305804b/","CrystEngComm","2003","5","46","265","","10.1039/b305804b","","","0.71073","MoKα","","0.0509","0.0402","","","0.1041","0.112","","","","","","0.942","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204697","16.248","0.004","19.603","0.004","26.44","0.008","90","","90","","90","","8421","4","294","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Fe Hg I4 N7 O -","- C40 H29 Fe Hg I4 N7 O -","- C320 H232 Fe8 Hg8 I32 N56 O8 -","8","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.043","","","","0.047","","","","","","1.34","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204698","11.2","0.002","13.028","0.003","14.62","0.003","87.378","0.003","75.441","0.003","83.887","0.003","2052.6","0.7","150","","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H32 Fe Hg I4 N6 O2 -","- C78 H64 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.024","","","","0.037","","","","","","1.28","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204699","11.384","0.005","12.659","0.006","14.885","0.007","89.37","0.02","73.79","0.03","84.19","0.04","2048.9","1.7","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H30 Fe Hg I4 N6 O2 -","- C78 H60 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.05","","","","0.059","","","","","","1.86","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204700","11.585","0.006","12.543","0.007","17.013","0.008","70.16","0.03","76.87","0.03","84.26","0.03","2264","2","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C84 H76 Fe2 Hg2 I8 N16 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.043","","","","","","1.4","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204701","9.709","0.004","9.885","0.004","10.814","0.005","76.06","0.02","83.63","0.02","87.07","0.03","1000.8","0.7","294","","","","","","","","","","","7","P 1","P 1","1","","","","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","1","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.061","","","","0.068","","","","","","1.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204702","10.18","0.006","17.079","0.007","23.62","0.008","90","","97.22","0.03","90","","4074","3","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Fe Hg I4 N6 O1.5 -","- C36 H24 Fe Hg I4 N6 O1.5 -","- C144 H96 Fe4 Hg4 I16 N24 O6 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.63","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204703","19.18","0.006","19.465","0.003","13.492","0.004","90","","109.44","0.01","90","","4750","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C168 H152 Fe4 Hg4 I16 N32 O8 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.042","","","","","","1.3","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204704","11.442","0.011","12.816","0.007","14.937","0.009","82.22","0.04","81.78","0.04","82.97","0.04","2136","3","294","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H32 Fe Hg I4 N6 O2 S -","- C38 H30 Fe Hg I4 N6 O2 S -","- C76 H60 Fe2 Hg2 I8 N12 O4 S2 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.071","","","","0.088","","","","","","1.67","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204705","10.3426","0.0015","10.3426","0.0015","8.9709","0.0018","90","","90","","120","","831","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dilanthanum(iii)octahydrate","tris(galactarato)dilanthanum(III)octahydrate","","- C18 H40 La2 O32 -","- C18 H12 La2 O32.232 -","- C18 H12 La2 O32.232 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0228","0.0228","","","0.0596","0.0596","","","","","","1.156","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204706","10.288","0.0015","10.288","0.0015","8.9427","0.0018","90","","90","","120","","819.7","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dicerium(iii)octahydrate","tris(galactarato)dicerium(III)octahydrate","","- C18 H40 Ce2 O32 -","- C18 H12 Ce2 O31.296 -","- C18 H12 Ce2 O31.296 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0229","0.0229","","","0.0596","0.0596","","","","","","1.144","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204707","10.2182","0.0014","10.2182","0.0014","8.9084","0.0018","90","","90","","120","","805.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dipraseodymium(iii)octahydrate","tris(galactarato)dipraseodymium(III)octahydrate","","- C18 H40 O32 Pr2 -","- C18 H12 O32.58 Pr2 -","- C18 H12 O32.58 Pr2 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0315","0.0314","","","0.0773","0.0773","","","","","","1.081","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204708","10.2151","0.0014","10.2151","0.0014","8.9021","0.0018","90","","90","","120","","804.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dineodymium(iii)octahydrate","tris(galactarato)dineodymium(III)octahydrate","","- C18 H40 Nd2 O32 -","- C18 H12 Nd2 O32.148 -","- C18 H12 Nd2 O32.148 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0212","0.0211","","","0.0565","0.0565","","","","","","1.142","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204709","10.8647","0.0009","19.681","0.0016","19.974","0.0017","90","","90","","90","","4271","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dineodymium(iii)decahydrate","tetraaquotris(galactarato)dineodymium(III)decahydrate","","- C18 H52 Nd2 O38 -","- C18 H12 Nd2 O38 -","- C72 H48 Nd8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0769","0.0503","","","0.1016","0.1102","","","","","","1.086","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204710","10.761","0.004","19.427","0.007","19.681","0.007","90","","90","","90","","4114","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dieuropium(iii)decahydrate","tetraaquotris(galactarato)dieuropium(III)decahydrate","","- C18 H52 Eu2 O38 -","- C18 H12 Eu2 O38 -","- C72 H48 Eu8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.114","0.071","","","0.1249","0.1384","","","","","","1.145","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204715","11.049","0.002","9.568","0.002","8.767","0.002","90","","102.35","0.01","90","","905.4","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C48 H36 Fe4 -","2","0.5","","Maharaj, Felicia; McDonagh, Andrew; Scudder, Marcia; Craig, Don; Dance, Ian","Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc","CrystEngComm","2003","5","53","305","","10.1039/b307082d","","","0.71073","MoKα","","","0.025","","","","0.038","","","","","","1.47","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204716","13.1315","0.001","14.2151","0.0011","14.6358","0.0011","109.428","0.001","112.98","0.001","97.464","0.002","2263.3","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O8 -","- C55 H52 N2 O8 -","- C110 H104 N4 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0559","0.0406","","","0.0952","0.0984","","","","","","0.933","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204717","17.4271","0.0011","13.5493","0.0008","21.605","0.0014","90","","95.172","0.002","90","","5080.7","0.5","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 N2 O8 -","- C62 H60 N2 O8 -","- C248 H240 N8 O32 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1109","0.0474","","","0.0743","0.0836","","","","","","0.717","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204718","11.5406","0.0006","14.0385","0.0008","15.682","0.0009","71.78","0.001","75.01","0.001","65.873","0.001","2177.2","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N2 O9 -","- C52 H56 N2 O9 -","- C104 H112 N4 O18 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0662","0.0532","","","0.1194","0.1276","","","","","","1.061","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204719","20.7807","0.0017","16.339","0.0014","15.4817","0.0013","90","","98.073","0.002","90","","5204.5","0.8","116","2","116","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 N4 O9 -","- C63 H65 N4 O9 -","- C252 H260 N16 O36 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0942","0.0565","","","0.146","0.1701","","","","","","1.02","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204720","15.9821","0.0016","14.3963","0.0015","23.765","0.002","90","","90","","90","","5467.9","0.9","116","2","116","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 N2 O4.5 -","- C33 H34 N2 O4.5 -","- C264 H272 N16 O36 -","8","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0978","0.0686","","","0.1871","0.2052","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204721","11.7903","0.0008","14.9265","0.001","15.6196","0.0011","94.159","0.001","92.529","0.001","100.758","0.001","2688.8","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H64 N4 O8 -","- C65 H64 N4 O8 -","- C130 H128 N8 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1021","0.073","","","0.1476","0.1614","","","","","","1.081","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204722","10.3752","0.0005","12.2621","0.0006","20.1337","0.001","95.181","0.001","103.948","0.001","94.166","0.001","2463.9","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N3 O8 -","- C62 H50 N3 O8 -","- C124 H100 N6 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0656","0.0538","","","0.1272","0.1354","","","","","","1.064","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204723","11.1453","0.0005","24.728","0.0012","13.097","0.0006","90","","102.415","0.001","90","","3525.1","0.3","116","2","116","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H41.25 N2 O5.25 -","- C42.75 H41.5 N2 O5.25 -","- C171 H166 N8 O21 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0911","0.0774","","","0.2096","0.2236","","","","","","0.916","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204729","6.358","0.002","8.744","0.003","13.594","0.007","90","","90","","90","","755.7","0.5","173","2","173","2","","","","","","","","5","P m n b","-P 2bc 2a","62","2-Chlorocarboxypyridinium Chloride","2-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","0.5","","Kalle I. Nättinen; Kari Rissanen","Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0324","0.0308","","","0.0758","0.0767","","","","","","1.079","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204730","7.2695","0.0005","4.9453","0.0003","20.2207","0.0016","90","","95.99","0.003","90","","722.96","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-Chlorocarboxypyridinium Chloride","3-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71073","MoKα","","0.0496","0.0357","","","0.083","0.0896","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204731","7.223","0.003","4.962","0.002","20.324","0.009","90","","97.06","0.001","90","","722.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chlorocarboxypyridinium Chloride","4-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0342","0.0283","","","0.0696","0.073","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204732","11.8327","0.0005","7.6628","0.0005","14.1769","0.0007","90","","138.21","0.003","90","","856.62","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Methylthio)thioxomethyl] Alanine","","- C5 H9 N O2 S2 -","- C5 H9 N O2 S2 -","- C20 H36 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0911","0.0497","","","0.1134","0.1324","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204733","8.8922","0.0014","7.4758","0.0016","14.305","0.002","90","","99.742","0.011","90","","937.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Ethylthio)thioxomethyl] Alanine","","- C6 H11 N O2 S2 -","- C6 H11 N O2 S2 -","- C24 H44 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1013","0.0505","","","0.1027","0.121","","","","","","1.007","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204734","13.198","0.004","7.613","0.002","11.927","0.004","90","","116.71","0.01","90","","1070.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Isopropylthio)thioxomethyl] Alanine","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C28 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1638","0.0744","","","0.1749","0.2184","","","","","","1.01","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204735","14.046","0.002","10.84","0.001","8.852","0.001","90","","107.97","0.01","90","","1282","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Benzylthio)thioxomethyl] Alanine","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C44 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0716","0.0429","","","0.0994","0.1124","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204740","7.9431","0.0006","13.2946","0.0008","7.6992","0.0004","90","","104.125","0.004","90","","788.46","0.09","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br2 N -","- C6 H7 Br2 N -","- C24 H28 Br8 N4 -","4","1","","Jones, Peter G.; Vancea, Fabiola","Unexpected isostructurality by permutation of classical and ?weak? hydrogen bonds","CrystEngComm","2003","5","52","303","","10.1039/b309038h","","","0.71073","MoKα","","0.0229","0.0195","","","0.048","0.0488","","","","","","1.083","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204741","6.7526","0.0012","8.1793","0.0015","14.806","0.003","92.114","0.004","93.148","0.004","99.358","0.004","804.8","0.3","150","5","150","5","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C20 H20 Cl12 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0974","0.0496","","","0.0936","0.1091","","","","","","0.983","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204742","6.8163","0.0007","8.9754","0.001","13.7869","0.0015","86.386","0.002","85.454","0.002","86.873","0.002","838.1","0.16","150","5","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Co N2 -","- C10 H10 Br2 Cl4 Co N2 -","- C20 H20 Br4 Cl8 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.047","0.038","","","0.0946","0.0988","","","","","","0.986","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204743","6.983","0.0007","16.1749","0.0016","15.7849","0.0015","90","","96.306","0.002","90","","1772.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co I2 N2 -","- C10 H10 Cl4 Co I2 N2 -","- C40 H40 Cl16 Co4 I8 N8 -","4","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0668","0.0362","","","0.0585","0.0653","","","","","","0.926","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204766","7.198","0.005","12.957","0.005","18.653","0.007","90","","111.69","0.03","90","","1616.5","1.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.058","","","","0.059","","","","","","1.49","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204767","10.596","0.005","9.766","0.004","35.351","0.011","90","","94.96","0.02","90","","3644","3","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","1.54184","CuKα","","","0.098","","","","0.159","","","","","","2.26","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204768","6.89","0.003","13.261","0.002","18.879","0.007","90","","102.58","0.02","90","","1683.5","1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.08","","","","0.116","","","","","","1.82","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204777","8.7846","0.0001","12.3272","0.0002","13.4594","0.0002","70.08","0.001","76.153","0.001","83.096","0.001","1329.29","0.03","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione cyclopentanone solvate (1:1)","","- C35 H26 F2 O3 -","- C35 H26 F2 O3 -","- C70 H52 F4 O6 -","2","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0674","0.0481","","","0.1281","0.1395","","","","","","1.06","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204778","9.0486","0.0001","19.3364","0.0002","14.4056","0.0002","90","","95.365","0.001","90","","2509.47","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione dichloromethane solvate (1:1)","","- C31 H20 Cl2 F2 O2 -","- C31 H20 Cl2 F2 O2 -","- C124 H80 Cl8 F8 O8 -","4","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0741","0.0429","","","0.0967","0.1086","","","","","","1.022","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204779","12.8638","0.0002","15.8214","0.0002","16.1334","0.0002","88.14","0.001","88.037","0.001","84.747","0.001","3266.4","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C180 H108 F12 O12 -","6","3","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0922","0.069","","","0.1949","0.2069","","","","","","1.121","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204786","9.486","0.005","11.381","0.005","23.904","0.005","94.779","0.005","101.094","0.005","91.342","0.005","2521.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Ag3 Cr3 N9 O27 -","- C42 H27 Ag3 Cr3 N9 O27 -","- C84 H54 Ag6 Cr6 N18 O54 -","2","1","","Consuelo Yuste Vivas; Fernando S. Delgado; Catalina Ruiz-Pérez; Miguel Julve","Preparation and crystal structure of the oxalato-bridged CrIII‒AgI two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa = 2,2'-dipyridylamine)","CrystEngComm","2004","6","4","11","18","10.1039/b314686c","","","0.71069","MoKα","","0.0672","0.046","","","0.1147","0.1267","","","","","","1.102","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204790","9.4389","0.0011","18.206","0.002","19.514","0.002","90","","94.385","0.002","90","","3343.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Bi F15 N2 O S3 -","- C32 H16 Bi F15 N2 O S3 -","- C128 H64 Bi4 F60 N8 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0536","0.0293","","","0.0533","0.0584","","","","","","0.945","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204791","8.968","0.002","16.616","0.004","24.746","0.007","90","","97.14","0.02","90","","3658.9","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 Bi F15 N3 O S3 -","- C33 H19 Bi F15 N3 O S3 -","- C132 H76 Bi4 F60 N12 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.1091","0.0462","","","0.073","0.0873","","","","","","0.937","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204792","9.0368","0.0012","13.0086","0.0016","18.53","0.002","76.225","0.011","82.026","0.013","72.273","0.013","2010","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Bi F15 N2 O2 S3 -","- C38 H26 Bi F15 N2 O2 S3 -","- C76 H52 Bi2 F30 N4 O4 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.048","0.0328","","","0.0795","0.0869","","","","","","1.091","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204793","7.5887","0.0018","14.181","0.006","17.931","0.005","73.275","0.013","78.66","0.02","75.19","0.02","1770.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0894","0.057","","","0.1313","0.1461","","","","","","1.002","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204794","9.034","0.004","11.372","0.007","17.894","0.006","75.17","0.03","84.39","0.03","86.23","0.04","1767","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0649","0.0374","","","0.0677","0.0742","","","","","","0.933","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204795","7.0051","0.0005","8.6187","0.0007","18.5866","0.0015","101.186","0.002","97.114","0.002","101.401","0.002","1063.66","0.14","203","2","203","2","","","","","","","","4","P -1","-P 1","2","2-(4-(dimethylamino)phenylazo)benzoic acid, 3,5- dinitrobenzoic acid","2-[4-(dimethylamino)phenylazo]benzoic acid, 3,5-dinitrobenzoic acid","","- C22 H19 N5 O8 -","- C22 H19 N5 O8 -","- C44 H38 N10 O16 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0835","0.0471","","","0.1117","0.1278","","","","","","0.891","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204796","5.9827","0.0004","9.1713","0.0008","12.1893","0.0008","84.149","0.005","77.407","0.006","74.927","0.005","629.54","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","3-nitrobenzoic acid, isonicotinamide","3-nitrobenzoic acid, isonicotinamide","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1089","0.0464","","","0.091","0.1036","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204797","22.725","0.013","5.231","0.003","20.785","0.012","90","","95.402","0.011","90","","2460","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","isonicotinamide, 4-fluorobenzoic acid","isonicotinamide, 4-fluorobenzoic acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1392","0.0604","","","0.1269","0.1624","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204798","8.0266","0.0014","8.5974","0.0016","12.514","0.002","84.563","0.003","89.934","0.004","75.345","0.003","831.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C32 H32 N8 O14 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1191","0.0519","","","0.1092","0.1297","","","","","","0.81","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204799","7.1538","0.0013","7.9978","0.0015","14.315","0.003","91.111","0.003","91.483","0.004","111.582","0.003","761","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C32 H32 N4 O12 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0808","0.0412","","","0.0999","0.115","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204800","7.6155","0.0007","7.698","0.0009","21.587","0.002","95.59","0.008","94.719","0.007","90.268","0.008","1255.1","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","pyrazinecarboxamide, 4-nitrobenzamide","pyrazinecarboxamide, 4-nitrobenzamide","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","2","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.2052","0.0569","","","0.1127","0.1514","","","","","","0.777","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204809","10.375","0.002","12.404","0.003","22.1","0.004","90","","90.46","0.03","90","","2844","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0755","0.0492","","","0.1189","0.1333","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204810","22.524","0.003","22.524","0.003","16.721","0.003","90","","90","","90","","8483","2","293","2","293","2","","","","","","","","4","I -4","I -4","82","none","","","- C53 H49 N3 O2 -","- C53 H49 N3 O2 -","- C424 H392 N24 O16 -","8","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0859","0.0555","","","0.1419","0.1568","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204815","35.283","0.004","35.283","0.004","12.499","0.001","90","","90","","120","","13475","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38.5 H33.11 O4.06 -","- C38.51 H30 O4.05333 -","- C693.18 H540 O72.96 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0576","0.0421","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204816","35.329","0.004","35.329","0.004","12.437","0.001","90","","90","","120","","13443","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H33.39 O3.72 -","- C39.02 H30 O3.73 -","- C702.36 H540 O67.14 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0885","0.0492","","","0.099","0.1121","","","","","","0.969","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204817","35.346","0.003","35.346","0.003","12.568","0.001","90","","90","","120","","13598","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.33 H34 O3.56 -","- C39.2767 H30.4 O3.57 -","- C706.98 H547.2 O64.26 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0816","0.047","","","0.104","0.1184","","","","","","0.968","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204818","35.248","0.003","35.248","0.003","12.507","0.001","90","","90","","120","","13457.1","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.22 H34.5 O3.61 -","- C39.03 H30.45 O3.62 -","- C702.54 H548.1 O65.16 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0555","0.0438","","","0.1132","0.1191","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204819","35.267","0.003","35.267","0.003","12.53","0.001","90","","90","","120","","13496.4","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.39 H33.78 O3.22 -","- C39.4 H30 O3.2 -","- C709.2 H540 O57.6 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0921","0.0743","","","0.1241","0.1341","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204820","7.3564","0.0002","6.2253","0.0002","18.6804","0.0006","90","","97.946","0.001","90","","847.27","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","octafluoronaphthalene : biphenyl, 1:1 complex","","- C22 H10 F8 -","- C22 H10 F8 -","- C44 H20 F16 -","2","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.0539","0.0399","","","0.1046","0.114","","","","","","1.004","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204821","6.446","0.001","7.142","0.001","9.751","0.002","74.46","0.02","71.53","0.02","85.97","0.02","410.17","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","octafluoronaphthalene : biphenylene, 1:1 complex","","- C22 H8 F8 -","- C22 H8 F8 -","- C22 H8 F8 -","1","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.068","0.0488","","","0.1241","0.1394","","","","","","1.083","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204822","15.37","0.002","8.7969","0.0012","20.914","0.003","90","","99.398","0.002","90","","2789.8","0.7","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C52 H54 Cu F12 N4 O P2 S4 -","- C52 H54 Cu F12 N4 O P2 S4 -","- C104 H108 Cu2 F24 N8 O2 P4 S8 -","2","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0708","0.0519","","","0.1737","0.1846","","","","","","1.054","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204823","8.8849","0.0007","10.8557","0.0009","13.312","0.0011","91.398","0.002","103.569","0.002","92.897","0.002","1245.66","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0425","0.0317","","","0.0764","0.0823","","","","","","1.046","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204824","14.3809","0.0006","19.8714","0.0008","18.1471","0.0008","90","","103.481","0.002","90","","5043","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C192 H176 Cu4 F48 N16 P8 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0678","0.0407","","","0.0917","0.1079","","","","","","1.029","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204825","9.1712","0.0006","18.3898","0.0012","21.6441","0.0014","90","","90","","90","","3650.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 S2 -","- C18 H18 Cl2 N2 S2 -","- C144 H144 Cl16 N16 S16 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0761","0.0629","","","0.1838","0.2014","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204826","9.0907","0.0004","9.8349","0.0004","27.2937","0.0014","90","","90","","90","","2440.22","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C96 H96 Cl8 N8 O8 S8 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.1142","0.0649","","","0.1031","0.1168","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204827","13.5552","0.0019","5.6845","0.0008","15.508","0.002","90","","91.335","0.002","90","","1194.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C48 H48 Cl4 N4 O4 S4 -","4","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0416","0.0325","","","0.0873","0.0939","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204831","17.485","0.003","9.5925","0.0014","19.611","0.003","90","","99.219","0.003","90","","3246.8","0.9","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodium(ii) benzoate-pyrazine including O2","","","- C32 H24 N2 O8.98 Rh2 -","- C32 H24 N2 O8.996 Rh2 -","- C128 H96 N8 O35.984 Rh8 -","4","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo","Structural determination of a 1-D metal?organic framework with adsorbed oxygen molecules at 10 K: possibility of surface motion transfer of confined guest","CrystEngComm","2004","6","9","39","","10.1039/b316963d","","","0.71073","MoKα","","0.1041","0.0633","","","0.1394","0.1564","","","","","","0.991","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204832","10.891","0.003","13.357","0.003","14.642","0.003","84.15","0.02","74.79","0.02","77.36","0.02","2003.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(phenanthroline)phenylphosphonic acid copper(ii) phenylphosphonate","bis(phenanthroline)phenylphosphonic acid copper(II) phenylphosphonate","","- C36 H42 Cu N4 O13 P2 -","- C36 H35 Cu N4 O13 P2 -","- C72 H70 Cu2 N8 O26 P4 -","2","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0646","0.0581","","","0.1521","0.1594","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204833","33.209","0.006","10.097","0.002","27.247","0.002","90","","119.38","0.01","90","","7961","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(phenanthroline)benzylphosphonic acid copper(ii) benzylphosphonate","bis(phenanthroline)benzylphosphonic acid copper(II) benzylphosphonate","","- C38 H34 Cu N4 O11.5 P2 -","- C38 H37 Cu N4 O10 P2 -","- C304 H296 Cu8 N32 O80 P16 -","8","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0982","0.0616","","","0.1684","0.1948","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204844","7.381","0.0005","14.5798","0.001","8.6905","0.0006","90","","103.661","0.001","90","","908.76","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(ethylpyridinium) tetrachlorocobaltate(ii)","Bis(ethylpyridinium) tetrachlorocobaltate(II)","","- C14 H20 Cl4 Co N2 -","- C14 H20 Cl4 Co N2 -","- C28 H40 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0403","0.0364","","","0.0855","0.087","","","","","","0.982","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204845","7.5802","0.0006","7.9849","0.0007","12.4508","0.0011","89.026","0.002","83.51","0.002","79.833","0.002","737.02","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridinium) tetrachlorocobaltate(ii)","Bis(pyridinium) tetrachlorocobaltate(II)","","- C10 H12 Cl4 Co N2 -","- C10 H12 Cl4 Co N2 -","- C20 H24 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0522","0.0333","","","0.0686","0.0724","","","","","","0.895","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204846","14.62","0.003","16.079","0.004","16.193","0.004","78.201","0.004","80.798","0.004","76.345","0.004","3595.8","1.5","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","1","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.0581","0.0506","","","0.1384","0.146","","","","","","1.038","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204847","14.332","0.005","15.179","0.005","16.165","0.005","79.406","0.005","69.285","0.006","74.921","0.006","3159.6","1.8","78","2","78","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 N5 Ni O10 -","- C70 H78 N5 Ni O10 -","- C140 H156 N10 Ni2 O20 -","2","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.1111","0.0694","","","0.188","0.2173","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204848","10.7999","0.0006","11.3654","0.0006","11.8496","0.0006","116.093","0.001","92.31","0.001","106.55","0.001","1228.74","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H26 B2 Cu F8 N10 O5 -","- C13 H26 B2 Cu F8 N10 O5 -","- C26 H52 B4 Cu2 F16 N20 O10 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.0626","0.0563","","","0.1562","0.1622","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204849","7.182","0.002","12.055","0.003","16.888","0.004","95.19","0.005","99.573","0.004","101.294","0.005","1402.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(CuLm).2(BF4).2(Cytosine)","","","- C16 H28 B2 Cu F8 N14 O4 -","- C16 H28 B2 Cu F8 N14 O4 -","- C32 H56 B4 Cu2 F16 N28 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.1275","0.0564","","","0.1008","0.12","","","","","","0.861","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204850","3.9004","0.0008","8.7632","0.0018","16.508","0.003","105.33","0.03","90.09","0.03","100.97","0.03","533.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","dichloroanthracene","dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C28 H16 Cl4 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","1.5418","CuKα","","0.0786","0.0636","","","0.1557","0.1713","","","","","","1.001","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204851","3.8629","0.0009","8.743","0.002","16.515","0.004","105.203","0.004","90.179","0.005","100.495","0.005","528.5","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","dichloroanthracene:dibromoanthracene","dichloroanthracene:dibromoanthracene","","- C14 H8 Br0.5 Cl1.5 -","- C14 H8 Br0.4972 Cl1.5028 -","- C28 H16 Br0.9944 Cl3.0056 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","0.71073","MoKα","","0.0418","0.0318","","","0.0796","0.0834","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204852","10.4381","0.0004","9.0183","0.0003","48.0553","0.0016","90","","90","","90","","4523.6","0.3","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C216 H120 Cl24 O24 -","8","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.1046","0.0816","","","0.1647","0.174","","","","","","1.089","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204853","8.6385","0.0002","11.1276","0.0003","12.4701","0.0003","95.955","0.002","97.735","0.002","106.98","0.002","1122.99","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C54 H30 Cl6 O6 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.0778","0.0466","","","0.1307","0.147","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204855","7.5132","0.0003","8.3575","0.0004","13.9439","0.0006","106.836","0.002","95.865","0.002","94.138","0.002","828.87","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Ag N3 O4 -","- C18 H16 Ag N3 O4 -","- C36 H32 Ag2 N6 O8 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.034","0.0307","","","0.0821","0.0838","","","","","","1.104","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204856","9.0541","0.0002","9.3447","0.0003","9.7248","0.0003","81.711","0.001","70.102","0.001","64.45","0.001","698.01","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,6-bis(3-pyridilmethylidene)cyclohexan","2,6-bis(3-pyridilmethylidene)cyclohexan","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.0582","0.0485","","","0.1322","0.1378","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204860","7.96","0.005","10.122","0.005","12.782","0.005","67.234","0.005","84.407","0.005","80.782","0.005","936.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N4 O8 S -","- C14 H22 Cu N4 O8 S -","- C28 H44 Cu2 N8 O16 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71069","MoKα","","0.0371","0.0314","","0.0915","0.0884","","","","1.042","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204861","23.548","0.011","18.524","0.008","16.469","0.008","90","","102.008","0.017","90","","7027","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Cu N8 O11.5 S -","- C28 H28 Cu N8 O11.5 S -","- C224 H224 Cu8 N64 O92 S8 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71073","MoKα","","0.187","0.0884","","0.2967","0.23","","","","1.034","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204864","8.3393","0.0002","9.4759","0.0002","11.9105","0.0003","102.8","0.0009","90.1883","0.001","104.761","0.0011","885.74","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-chloro-1,2,3,5-dithiadiazolyl","","- C Cl N2 S2 -","- C Cl N2 S2 -","- C8 Cl8 N16 S16 -","8","4","","Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M.","Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN","CrystEngComm","2004","6","17","79","","10.1039/b403430a","","","0.71073","MoKα","","0.0278","0.0258","","","0.0669","0.0681","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204865","8.3198","0.0017","15.4","0.003","15.635","0.003","90","","99.4","0.03","90","","1976.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMesH)(Cl).H2O","","","- C21 H27 Cl N2 O -","- C21 H27 Cl N2 O -","- C84 H108 Cl4 N8 O4 -","4","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.0572","0.0415","","","0.1095","0.1165","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204866","8.3676","0.0017","11.315","0.002","13.246","0.003","70.27","0.03","80.1","0.03","76.55","0.03","1142.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(IMesH)(Cl).Acetone","","","- C24 H31 Cl N2 O -","- C24 H31 Cl N2 O -","- C48 H62 Cl2 N4 O2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.1181","0.0842","","","0.2048","0.231","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204867","22.5962","0.0005","8.1506","0.0002","7.6964","0.0001","90","","90","","90","","1417.47","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","syn-7-trimethyl-silyl-5 Norbornene-2,3-endo -dicarboxylic acid","","","- C12 H18 O4 Si -","- C12 H18 O4 Si -","- C48 H72 O16 Si4 -","4","1","","Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur","The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2004","6","24","116","","10.1039/b403631j","","","0.71073","MoKα","","0.041","0.0383","","","0.1103","0.1133","","","","","","0.89","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204868","12.646","0.003","7.404","0.001","7.297","0.001","90","","120.18","0.03","90","","590.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Co O6 -","- C3 H2 Co O6 -","- C12 H8 Co4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71069","MoKα","","0.0336","0.0257","","","0.0759","0.0789","","","","","","1.165","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204869","12.5748","0.0005","7.3781","0.0006","7.2274","0.0004","90","","120.391","0.006","90","","578.41","0.07","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Ni O6 -","- C3 H2 Ni O6 -","- C12 H8 Ni4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71073","MoKα","","0.071","0.0421","","","0.086","0.0921","","","","","","1.095","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204871","7.552","0.0015","16.296","0.003","16.174","0.003","90","","98.71","0.03","90","","1967.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(4-nitrophenyl)diphenylmethane","bis(4-nitrophenyl)diphenylmethane","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1102","0.0642","","","0.153","0.1817","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204872","20.909","0.002","20.909","0.002","25.247","0.004","90","","90","","120","","9559","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-water","bis(4-nitrophenyl)diphenylmethane-water","","- C75 H58 N6 O14 -","- C75 H57.99 N6 O13.99 -","- C450 H347.94 N36 O83.94 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0989","0.0673","","","0.2173","0.2487","","","","","","1.029","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204873","20.916","0.003","20.916","0.003","25.122","0.005","90","","90","","120","","9518","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-THF","bis(4-nitrophenyl)diphenylmethane-THF","","- C78 H54 N6 O16 -","- C78 H54 N6 O16 -","- C468 H324 N36 O96 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0984","0.0574","","","0.1294","0.1555","","","","","","1.018","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204874","9.782","0.001","11.907","0.002","20.242","0.003","90","","98.13","0.01","90","","2334","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrakis-(4-cyanophenyl)methane","tetrakis-(4-cyanophenyl)methane","","- C29 H16 N4 -","- C29 H16 N4 -","- C116 H64 N16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1517","0.0664","","","0.0857","0.1332","","","","","","1.35","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204875","15.413","0.003","17.607","0.003","18.504","0.003","90","","90","","90","","5021.6","1.5","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrakis-(4-cyanophenyl)methane-MeCN","tetrakis-(4-cyanophenyl)methane-MeCN","","- C29 H16 N4 -","- C29 H16 N4 -","- C232 H128 N32 -","8","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1201","0.0687","","","0.155","0.1766","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204876","19.3682","0.0007","19.3682","0.0007","18.9884","0.001","90","","90","","120","","6168.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","[Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate","","- C42 H42 Fe N14 O8 -","- C42 H42 Fe N14 O8 -","- C252 H252 Fe6 N84 O48 -","6","1","","Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph","Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit","CrystEngComm","2004","6","26","126","","10.1039/b404151h","","","0.71073","MoKα","","0.0427","0.0383","","","0.0806","0.0826","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204877","14.027","0.005","6.124","0.002","17.047","0.006","90","","90","","90","","1464.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-methoxy-4-ethynylbenzene","1-methoxy-4-ethynylbenzene","","- C9 H8 O -","- C9 H8 O -","- C72 H64 O8 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0428","0.0372","","","0.099","0.1046","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204878","13.962","0.003","6.052","0.001","19.542","0.003","90","","90","","90","","1651.3","0.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-(methoxycarbonyl)-4-ethynylbenzene","1-(methoxycarbonyl)-4-ethynylbenzene","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0535","0.0432","","","0.1155","0.1228","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204879","7.0501","0.0006","8.9204","0.0008","10.799","0.0009","90","","90","","90","","679.15","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylbenzaldehyde","4-ethynylbenzaldehyde","","- C9 H6 O -","- C9 H6 O -","- C36 H24 O4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0429","0.0409","","","0.1128","0.1161","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204880","4.0302","0.0006","6.24","0.001","8.22","0.001","104.97","0.01","92.28","0.03","91.73","0.01","199.37","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","4-ethynyl-2,3,5,6-tetrafluoroanisole","4-ethynyl-2,3,5,6-tetrafluoroanisole","","- C9 H4 F4 O -","- C9 H4 F4 O -","- C9 H4 F4 O -","1","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0367","0.034","","","0.108","0.1101","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204881","5.646","0.001","7.268","0.001","19.528","0.004","90","","90","","90","","801.3","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylthioanisole","4-ethynylthioanisole","","- C9 H8 S -","- C9 H8 S -","- C36 H32 S4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.1208","0.0499","","","0.0848","0.0999","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204882","5.9008","0.0005","10.0652","0.0008","11.6577","0.0009","90","","102.919","0.003","90","","674.86","0.09","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","4-ethynyltoluene","4-ethynyltoluene","","- C9 H8 -","- C9 H8 -","- C36 H32 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.073","0.0465","","","0.0827","0.0875","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204883","8.6911","0.0005","13.1827","0.0007","13.275","0.0007","90","","93.128","0.001","90","","1518.68","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.032","0.0251","","","0.0646","0.0669","","","","","","0.995","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204884","12.009","0.0006","8.5819","0.0004","13.9542","0.0009","90","","103.305","0.002","90","","1399.52","0.13","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0985","0.0494","","","0.0939","0.1094","","","","","","0.999","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204885","11.81","0.002","8.2394","0.0012","16.073","0.002","90","","104.282","0.003","90","","1515.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl2 Cu N5 O2 -","- C10 H17 Cl2 Cu N5 O2 -","- C40 H68 Cl8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0575","0.0371","","","0.0837","0.0896","","","","","","0.936","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204886","11.4766","0.0011","8.7847","0.0008","13.5378","0.0012","90","","109.089","0.001","90","","1289.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl2 Cu N5 O -","- C9 H13 Cl2 Cu N5 O -","- C36 H52 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0512","0.0389","","","0.0969","0.1021","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204887","11.9013","0.0007","11.9578","0.0007","13.8143","0.0008","112.245","0.001","112.224","0.001","91.301","0.001","1652.59","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Ag B F4 N2 O2 -","- C36 H30 Ag B F4 N2 O2 -","- C72 H60 Ag2 B2 F8 N4 O4 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0465","0.0294","","","0.0749","0.0824","","","","","","0.942","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204888","12.4855","0.0007","8.6349","0.0005","15.6533","0.0009","90","","98.286","0.001","90","","1669.98","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Ag F6 N2 O2 P -","- C36 H30 Ag F6 N2 O2 P -","- C72 H60 Ag2 F12 N4 O4 P2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0391","0.0305","","","0.0822","0.0904","","","","","","1.042","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204894","10.605","0.001","8.003","0.002","23.478","0.002","90","","90","","90","","1992.6","0.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Hg2 O4 S8 -","- C8 H12 Hg2 O4 S8 -","- C32 H48 Hg8 O16 S32 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:33",""
"7204895","26.27","0.02","13.654","0.008","13.863","0.005","90","","96.64","0.04","90","","4939","5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Hg N2 S4 -","- C18 H36 Hg N2 S4 -","- C144 H288 Hg8 N16 S32 -","8","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:34",""
"7204896","6.238","0.001","20.162","0.002","11.281","0.001","90","","104.63","0.01","90","","1372.8","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Hg P S2 -","- C10 H15 Hg P S2 -","- C40 H60 Hg4 P4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:35",""
"7204897","17.308","0.001","7.558","0.003","9.978","0.002","90","","113.24","0.01","90","","1199.4","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Hg N2 S4 -","- C6 H12 Hg N2 S4 -","- C24 H48 Hg4 N8 S16 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:35",""
"7204899","9.814","0.003","10.667","0.003","15.655","0.004","90","","104.06","0.02","90","","1589.8","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 S8 Zn2 -","- C20 H40 N4 S8 Zn2 -","- C40 H80 N8 S16 Zn4 -","2","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","208196","2020-10-21","18:00:00",""
"7204900","9.8208","0.0003","10.7609","0.0003","15.9952","0.0004","90","","103.581","0.001","90","","1643.12","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cd N2 S4 -","- C10 H20 Cd N2 S4 -","- C40 H80 Cd4 N8 S16 -","4","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","208197","2020-10-21","18:00:00",""
"7205040","11.741","0.002","12.828","0.003","12.047","0.002","90","","108.46","0.03","90","","1721.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and Acridene","1:1 Molecular complex of TNB and Acridene","","- C19 H12 N4 O6 -","- C19 H12 N4 O6 -","- C76 H48 N16 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C‒H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0949","0.0598","","","0.13","0.1554","","","","","","1.094","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205041","10.962","0.002","13.48","0.003","12.092","0.002","90","","108.89","0.03","90","","1690.6","0.6","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and phenonthroline","1:1 Molecular Complex of TNB and 1,10-Phenonthroline","","- C18 H11 N5 O6 -","- C18 H11 N5 O6 -","- C72 H44 N20 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C‒H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0587","0.049","","","0.1271","0.1408","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205042","7.0781","0.0014","9.7139","0.0019","15.787","0.003","86.83","0.03","88.33","0.03","83.08","0.03","1075.6","0.4","120","2","293","2","","","","","","","","4","P -1","-P 1","2","2:3 Complex of TNB and Phenazene","2:3 Complex of TNB and Phenazene","","- C24 H15 N6 O6 -","- C24 H15 N6 O6 -","- C48 H30 N12 O12 -","2","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0759","0.049","","","0.1251","0.1383","","","","","","0.966","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7205043","13.977","0.009","18.93","0.01","10.148","0.008","105.71","0.06","106.23","0.07","82.19","0.05","2476","3","288.2","","288.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 Cr N6 O2 S14 -","- C39 H30 Cl2 Cr N6 O2 S14 -","- C78 H60 Cl4 Cr2 N12 O4 S28 -","2","1","","Sayaduzzaman, Mohammad; Katsuhara, Mao; Nii, Hirofumi; Kawamoto, Tadashi; Mori, Takehiko","Structural and magnetic properties of (C2TEO-TTP)[Cr(isoq)2(NCS)4]�CH2Cl2","CrystEngComm","2003","5","51","300","","10.1039/b307621k","","","0.7107","MoKα","","0.054","0.055","","0.068","","0.068","","","0.931","","","0.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205047","8.2152","0.0004","8.9387","0.0004","12.3961","0.0005","109.846","0.001","92.651","0.001","106.725","0.001","809.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","1","0.5","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.031","0.028","","","0.0725","0.0743","","","","","","1.023","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205048","7.8365","0.001","8.2326","0.0011","10.7944","0.0015","111.154","0.002","95.728","0.002","94.674","0.002","641.03","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu N6 O6 -","- C10 H7 Cu N6 O6 -","- C20 H14 Cu2 N12 O12 -","2","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.039","0.0305","","","0.0722","0.0774","","","","","","1.036","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205049","5.8768","0.0005","13.1226","0.0012","11.5664","0.0011","90","","94.788","0.001","90","","888.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cd N6 O3 -","- C6 H5 Cd N6 O3 -","- C24 H20 Cd4 N24 O12 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0164","0.0157","","","0.0396","0.04","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205050","16.1407","0.0006","6.9435","0.0002","30.3299","0.0011","90","","90","","90","","3399.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl2 Hg2 N12 -","- C10 H6 Cl2 Hg2 N12 -","- C80 H48 Cl16 Hg16 N96 -","8","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0373","0.0336","","","0.0859","0.0881","","","","","","1.05","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205051","7.3629","0.0003","13.9028","0.0006","11.8372","0.0004","90","","123.425","0.002","90","","1011.31","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cd Cl N6 O2 -","- C5 H7 Cd Cl N6 O2 -","- C20 H28 Cd4 Cl4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0361","0.0355","","","0.0775","0.0778","","","","","","1.076","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205052","5.594","0.0009","12.643","0.002","11.2431","0.0016","90","","106.662","0.007","90","","761.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Hg0.5 N6 O -","- C5 H5 Hg0.5 N6 O -","- C20 H20 Hg2 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0389","0.0326","","","0.087","0.0931","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205053","7.4195","0.0011","13.9422","0.0019","9.9089","0.0014","90","","95.093","0.002","90","","1021","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Br Cd N6 O2 -","- C5 H7 Br Cd N6 O2 -","- C20 H28 Br4 Cd4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.043","0.0411","","","0.1052","0.1063","","","","","","1.055","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205054","7.276","0.002","10.159","0.003","16.055","0.005","90","","112.545","0.011","90","","1096","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cd I N6 O -","- C5 H5 Cd I N6 O -","- C20 H20 Cd4 I4 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0221","0.0202","","","0.0525","0.0533","","","","","","1.053","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205055","7.2819","0.0006","17.4904","0.0016","14.8161","0.001","90","","115.224","0.003","90","","1707.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg1.5 N15 O2 -","- C10 H10 Hg1.5 N15 O2 -","- C40 H40 Hg6 N60 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0327","0.0282","","","0.071","0.0734","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205056","9.6892","0.0016","9.8474","0.0016","13.533","0.002","99.395","0.002","109.368","0.002","101.945","0.002","1153.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu Mo4 N6 O15 -","- C12 H14 Cu Mo4 N6 O15 -","- C24 H28 Cu2 Mo8 N12 O30 -","2","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0387","0.035","","","0.0996","0.104","","","","","","1.061","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205057","10.626","0.0007","15.8212","0.001","12.8521","0.0008","90","","100.703","0.001","90","","2123.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Mo8 N12 O26 -","- C24 H24 Mo8 N12 O26 -","- C48 H48 Mo16 N24 O52 -","2","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.027","0.024","","","0.0592","0.0608","","","","","","1.079","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205058","7.663","0.0004","29.474","0.0017","9.7421","0.0006","90","","101.823","0.001","90","","2153.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo4 N6 O14 -","- C12 H12 Cu Mo4 N6 O14 -","- C48 H48 Cu4 Mo16 N24 O56 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0231","0.021","","","0.0482","0.049","","","","","","1.099","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205059","10.9052","0.0006","17.603","0.001","7.8921","0.0004","90","","92.64","0.002","90","","1513.39","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo N6 O5 -","- C12 H12 Cu Mo N6 O5 -","- C48 H48 Cu4 Mo4 N24 O20 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0713","0.0448","","","0.0912","0.1045","","","","","","1.054","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205060","9.5193","0.0008","10.9534","0.0009","11.4935","0.0009","91.786","0.001","113.8","0.001","105.469","0.001","1043.61","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","1","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0277","0.0264","","","0.0702","0.071","","","","","","1.103","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205061","14.7948","0.0005","43.785","0.002","18.951","0.001","90","","100.165","0.004","90","","12083.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C254 H286 N4 O64 P8 S8 -","- C254 H286 N4 O64 P8 S8 -","- C508 H572 N8 O128 P16 S16 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.1884","0.1152","","","0.2746","0.3115","","","","","","1.012","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205062","14.1154","0.0002","14.1154","","47.0311","0.0004","90","","90","","90","","9370.69","0.15","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C78 H108 Gd2 N4 O50 S8 -","- C78 H108 Gd2 N4 O50 S8 -","- C312 H432 Gd8 N16 O200 S32 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.071","0.0701","","","0.1831","0.1841","","","","","","1.004","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205063","12.6886","0.0003","14.0567","0.0004","14.1856","0.0006","96.182","0.001","110.043","0.001","116.463","0.002","2023.28","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","","- C49 H54 N2 O6 -","- C49 H54 N2 O6 -","- C98 H108 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1494","0.0685","","","0.1529","0.182","","","","","","1.037","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205064","11.61","0.002","11.669","0.002","18.732","0.004","78.05","0.03","82.69","0.03","60.57","0.03","2161.4","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di- ethylenediamine salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di-ethylenediamine salt","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.098","0.0881","","","0.1657","0.1704","","","","","","1.252","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205065","12.7812","0.0005","14.0559","0.0005","14.2325","0.0005","64.129","0.002","69.975","0.002","64.398","0.002","2037.1","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","","- C50 H56 N2 O6 -","- C50 H56 N2 O6 -","- C100 H112 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1132","0.0579","","","0.1182","0.142","","","","","","1.016","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205066","12.6048","0.0007","13.1155","0.0008","15.0029","0.0007","82.348","0.003","75.666","0.003","63.13","0.003","2142.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1266","0.0846","","","0.1399","0.1581","","","","","","1.113","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205067","12.6805","0.0002","13.8085","0.0003","14.8731","0.0003","113.964","0.001","93.672","0.001","108.788","0.001","2195.08","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C48 H51 Cl3 N2 O6 -","- C48 H51 Cl3 N2 O6 -","- C96 H102 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.135","0.0555","","","0.1105","0.134","","","","","","1.017","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205068","12.8654","0.0002","14.0595","0.0002","14.5748","0.0003","114.863","0.001","91.742","0.001","109.327","0.001","2212.46","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) butylenediamine hemi-salt","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) butylenediamine hemi-salt","","- C49 H53 Cl3 N2 O6 -","- C49 H53 Cl3 N2 O6 -","- C98 H106 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.2151","0.0772","","","0.164","0.2137","","","","","","1.023","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205069","18.984","0.003","7.3315","0.0011","16.506","0.003","90","","119.337","0.002","90","","2002.7","0.6","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H42 Cd3 O26 -","- C30 H42 Cd3 O26 -","- C60 H84 Cd6 O52 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0575","0.0467","","","0.081","0.0823","","","","","","1.021","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205070","11.845","0.002","14.043","0.003","17.092","0.003","90","","108.75","0.003","90","","2692.2","0.9","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C45 H44 Cd2 N6 O20 -","- C45 H44 Cd2 N6 O20 -","- C90 H88 Cd4 N12 O40 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0675","0.0547","","","0.1447","0.1501","","","","","","1.071","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205071","6.94","0.003","9.896","0.004","13.149","0.005","94.652","0.007","99.553","0.007","96.088","0.008","881","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N O7 -","- C20 H14 Mn N O7 -","- C40 H28 Mn2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0997","0.0616","","","0.0882","0.0949","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205072","6.93","0.002","9.658","0.003","13.022","0.004","93.719","0.006","99.179","0.006","94.856","0.007","854.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Co N O7 -","- C20 H14 Co N O7 -","- C40 H28 Co2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0978","0.064","","","0.156","0.1655","","","","","","1.022","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205073","10.2868","0.0001","10.7031","0.0002","21.5105","0.0003","80.713","0.001","84.376","0.001","84.733","0.001","2319.06","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C48 H58 Cu4 Mo10 N32 O52 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0386","0.0298","","","0.0691","0.0737","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205074","11.9385","0.0004","12.8328","0.0004","19.2691","0.0006","78.616","0.001","77.813","0.001","71.08","","2703.01","0.15","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","1","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0381","0.0314","","","0.0785","0.0828","","","","","","1.013","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205075","11.8981","0.0005","18.8195","0.0007","12.6","0.0005","90","","105.865","0.001","90","","2713.88","0.19","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C72 H70 Cu6 Mo10 N36 O50 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0597","0.0451","","","0.0764","0.0851","","","","","","1.001","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205076","20.7624","0.0007","11.4376","0.0004","16.7341","0.0006","90","","102.662","0.001","90","","3877.2","0.2","273","2","273","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C48 H72 Cu8 Mg4 Mo20 N32 O116 P8 -","4","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0669","0.0433","","","0.1089","0.1191","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205077","13.853","0.003","13.391","0.003","18.438","0.007","90","","119.54","0.02","90","","2975.7","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Co3 F2 N6 O26 -","- C64 H62 Co3 F2 N6 O26 -","- C128 H124 Co6 F4 N12 O52 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0365","0.0305","","","0.0773","0.0799","","","","","","1.008","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205078","13.859","0.003","13.313","0.003","18.894","0.007","90","","119.31","0.02","90","","3039.8","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 F2 N6 O26 Zn3 -","- C64 H62 F2 N6 O26 Zn3 -","- C128 H124 F4 N12 O52 Zn6 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0928","0.0736","","","0.1943","0.2126","","","","","","1.015","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205079","12.606","0.003","13.815","0.003","14.013","0.003","78.919","0.002","86.321","0.002","87.03","0.002","2388","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.33 H74.07 Cl12 Mn4 N14 Nb6 O13.7 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","1","0.5","","Zhang, Jian-Jun; Day, Cynthia S.; Lachgar, Abdessadek","Self-assembly and solvent-mediated structural transformation of one-dimensional cluster-based coordination polymer","CrystEngComm","2011","13","1","133","","10.1039/c004119j","","","0.71073","MoKα","","0.0715","0.047","","","0.1038","0.1119","","","","","","0.972","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205080","7.714","0.0015","9.76","0.002","15.675","0.003","90.12","0.02","96.87","0.03","107.23","0.03","1118.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","","- C38 H56 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","1","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.2223","0.0523","","","0.0788","0.1002","","","","","","0.772","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205081","16.674","0.003","8.545","0.002","19.279","0.004","90","","90","","90","","2746.9","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne","","- C12 H18 O5 S -","- C12 H18 O5 S -","- C96 H144 O40 S8 -","8","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1118","0.0511","","","0.1407","0.158","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205082","7.219","0.001","10.992","0.002","13.356","0.003","89.43","0.02","78.84","0.02","80.8","0.02","1026.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1119","0.0478","","","0.1088","0.1294","","","","","","0.93","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205083","9.945","0.002","15.102","0.003","12.647","0.002","90","","91.68","0.02","90","","1898.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne ethanebis(thioamide)","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne ethanebis(thioamide)","","- C14 H22 N2 O5 S3 -","- C14 H20.984 N2 O5 S3 -","- C56 H83.936 N8 O20 S12 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0724","0.0364","","","0.0829","0.0902","","","","","","0.98","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205084","7.965","0.002","10.521","0.002","13.08","0.003","90","","93.68","0.02","90","","1093.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine ethanebis(thioamide) clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine ethanebis(thioamide) clathrate","","- C20 H26 N2 O5 S2 -","- C20 H26 N2 O5 S2 -","- C40 H52 N4 O10 S4 -","2","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0707","0.0423","","","0.1143","0.1213","","","","","","1.005","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205085","10.536","0.002","15.585","0.004","13.639","0.003","90","","91.17","0.02","90","","2239.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b) (1,4,7,10,13)pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b] [1,4,7,10,13]pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","","- C20 H28 N4 O7 -","- C20 H28 N4 O7 -","- C80 H112 N16 O28 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1325","0.0365","","","0.0616","0.076","","","","","","0.846","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205086","10.5283","0.0008","13.4817","0.0012","20.5006","0.0018","90","","102.016","0.004","90","","2846.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Pr2 -","- C18 H6 N6 O19.5 Pr2 -","- C72 H24 N24 O78 Pr8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0316","0.0238","","","0.068","0.0801","","","","","","1.025","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205087","10.4836","0.0005","13.4043","0.0008","20.4238","0.0013","90","","102.163","0.003","90","","2805.6","0.3","296","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 Nd2 O19.5 -","- C18 H6 N6 Nd2 O19.5 -","- C72 H24 N24 Nd8 O78 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0493","0.0318","","","0.0802","0.0965","","","","","","1.084","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205088","10.4555","0.0019","13.333","0.003","20.372","0.003","90","","102.245","0.01","90","","2775.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Sm2 -","- C18 H6 N6 O19.5 Sm2 -","- C72 H24 N24 O78 Sm8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0637","0.0322","","","0.0778","0.1025","","","","","","1.067","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205089","10.4063","0.001","13.1997","0.0013","20.244","0.002","90","","102.695","0.005","90","","2712.7","0.5","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Eu2 N6 O19 -","- C18 H6 Eu2 N6 O19 -","- C72 H24 Eu8 N24 O76 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0295","0.0224","","","0.0546","0.0582","","","","","","0.977","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205090","11.8519","0.0002","19.6425","0.0003","14.9977","0.0003","90","","102.508","0.001","90","","3408.61","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Gd2 N6 O21 -","- C18 H6 Gd2 N6 O21 -","- C72 H24 Gd8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.052","0.0355","","","0.1147","0.1362","","","","","","1.024","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205091","11.8076","0.0006","19.602","0.001","14.9743","0.0007","90","","102.75","0.002","90","","3380.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N6 O21 Tb2 -","- C18 H6 N6 O21 Tb2 -","- C72 H24 N24 O84 Tb8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0486","0.0353","","","0.1156","0.1359","","","","","","1.085","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205092","11.8365","0.0003","19.5914","0.0005","15.0554","0.0004","90","","102.632","0.001","90","","3406.74","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Dy2 N6 O21 -","- C18 H6 Dy2 N6 O21 -","- C72 H24 Dy8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0564","0.0352","","","0.1176","0.1377","","","","","","1.019","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205093","11.8162","0.0008","19.4943","0.0013","15.0763","0.001","90","","102.854","0.003","90","","3385.8","0.4","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Er2 N6 O21 -","- C18 H6 Er2 N6 O21 -","- C72 H24 Er8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0656","0.0433","","","0.1301","0.1451","","","","","","1.041","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205094","11.798","0.0007","19.4168","0.0012","14.8932","0.001","90","","103.041","0.003","90","","3323.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Lu2 N6 O21 -","- C18 H6 Lu2 N6 O21 -","- C72 H24 Lu8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0428","0.0336","","","0.1041","0.1229","","","","","","1.157","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205095","11.205","0.0004","19.53","0.0007","11.455","0.0004","90","","104.218","0.0007","90","","2429.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N3 O9 Zn2 -","- C23 H16 N3 O9 Zn2 -","- C92 H64 N12 O36 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0461","0.0353","","","0.0774","0.0824","","","","","","1.052","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205096","12.3267","0.0005","15.0656","0.0006","14.5968","0.0006","90","","108.631","0.001","90","","2568.7","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O12 Zn2 -","- C22 H14 N3 O12 Zn2 -","- C88 H56 N12 O48 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.0559","0.0405","","","0.1121","0.1204","","","","","","1.053","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205097","14.839","0.0006","15.717","0.0006","22.081","0.0009","90","","90","","90","","5149.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H22 N3 O14 Zn2 -","- C22 H15 N3 O14 Zn2 -","- C176 H120 N24 O112 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0673","0.0354","","","0.0879","0.1037","","","","","","1.009","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205098","16.379","0.0005","16.361","0.0005","28.999","0.0009","90","","90","","90","","7771.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H43.5 N O13.25 Zn3 -","- C34 H43.5 N O13.25 Zn3 -","- C272 H348 N8 O106 Zn24 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0713","0.0329","","","0.0705","0.0748","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205099","19.5062","0.0004","12.373","0.0006","15.0076","0.0005","90","","113.717","0.001","90","","3316.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N3 O7 Zn2 -","- C16 H9 N3 O7 Zn2 -","- C128 H72 N24 O56 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.03","0.0254","","","0.0617","0.0625","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205100","7.5291","0.0006","9.0289","0.0007","11.2318","0.0009","106.417","0.001","104.611","0.001","100.197","0.001","682.88","0.09","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H14 F N2 O3 -","- C14 H14 F N2 O3 -","- C28 H28 F2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","x-ray","0.71073","MoKα","","0.0645","0.0537","","","0.1313","0.1389","","","","","","1.062","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205101","15.829","0.004","7.2551","0.0012","24.285","0.004","90","","106.972","0.005","90","","2667.4","0.9","120","2","120","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F N2 O3 -","- C14 H15 F N2 O3 -","- C112 H120 F8 N16 O24 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0693","0.0571","","","0.1378","0.1427","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205102","12.0087","0.0007","7.3445","0.0004","29.8816","0.0015","90","","92.941","0.004","90","","2632","0.2","120","2","120","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F2 N4 O6 -","- C28 H30 F2 N4 O6 -","- C112 H120 F8 N16 O24 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1989","0.0568","","","0.0958","0.1186","","","","","","0.809","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205103","12.7632","0.0003","7.329","0.0002","29.7055","0.001","90","","93.705","0.002","90","","2772.89","0.14","120","2","120","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C112 H120 Cl8 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0489","0.0403","","","0.1002","0.1032","","","","","","1.037","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205104","7.5081","0.0006","8.6307","0.0008","12.7259","0.0011","105.102","0.008","104.686","0.007","100.544","0.007","742.26","0.12","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C28 H30 Br2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1296","0.0615","","","0.1467","0.164","","","","","","0.872","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205105","12.7835","0.0006","7.3412","0.0003","29.5499","0.0014","90","","93.462","0.004","90","","2768.1","0.2","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1117","0.058","","","0.1323","0.1452","","","","","","0.951","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205106","15.7414","0.001","7.31","0.0004","26.3147","0.0014","90","","103.377","0.006","90","","2945.9","0.3","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0939","0.0504","","","0.1186","0.1277","","","","","","0.931","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205107","12.245","0.0004","7.4478","0.0002","16.1914","0.0005","90","","106.676","0.003","90","","1414.53","0.08","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.077","0.0452","","","0.1069","0.1133","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205108","12.2806","0.001","7.4567","0.0006","17.2659","0.0014","90","","109.584","0.009","90","","1489.6","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0838","0.0525","","","0.1437","0.1563","","","","","","1.077","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205109","16.516","0.0013","17.6806","0.0013","17.3266","0.0014","90","","153.568","0.001","90","","2252.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N2 O6 -","- C22 H24 Cd N2 O6 -","- C88 H96 Cd4 N8 O24 -","4","1","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0705","0.0396","","","0.0818","0.0941","","","","","","1.016","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205110","11.578","0.004","11.488","0.004","9.342","0.003","90","","113.459","0.006","90","","1139.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H28 Co N2 O8 -","- C22 H28 Co N2 O8 -","- C44 H56 Co2 N4 O16 -","2","0.25","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0374","0.0322","","","0.0748","0.0779","","","","","","1.054","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205111","14.1443","0.001","10.5695","0.0007","13.5488","0.0009","90","","109.791","0.001","90","","1905.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 Ni O4 -","- C22 H20 N2 Ni O4 -","- C88 H80 N8 Ni4 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0356","0.0305","","","0.0798","0.083","","","","","","1.061","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205112","14.2254","0.0008","10.6516","0.0006","13.6134","0.0008","90","","110.37","0.001","90","","1933.75","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N2 O4 -","- C22 H20 Cu N2 O4 -","- C88 H80 Cu4 N8 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0314","0.0282","","","0.0811","0.0834","","","","","","1.066","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205113","15.4168","0.0007","15.4168","0.0007","27.623","0.002","90","","90","","90","","6565.4","0.6","173","2","173","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C42 H24 Co2 N2 O10 -","- C42 H24 Co2 N2 O10 -","- C168 H96 Co8 N8 O40 -","4","0.125","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0866","0.0686","","","0.2135","0.227","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205114","15.745","0.003","9.1922","0.0018","9.4397","0.0019","90","","90","","90","","1366.2","0.5","113","2","113","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co O8 -","- C16 H8 Co O8 -","- C64 H32 Co4 O32 -","4","0.5","","Su, Yan-Hua; Luo, Feng; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min","Rod-packing motif: a new metal‒organic polymer showing unusual rod-packing architecture","CrystEngComm","2011","13","1","44","","10.1039/c0ce00066c","","","0.71073","MoKα","","0.0565","0.0502","","","0.1226","0.1276","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205115","11.5613","0.0017","27.189","0.004","13.556","0.002","90","","102.803","0.002","90","","4155.3","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C144 H216 N24 O36 S12 -","12","3","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0652","","","0.1505","0.1631","","","","","","0.963","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205116","11.787","0.005","9.043","0.004","13.955","0.006","90","","104.644","0.007","90","","1439.1","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0714","","","0.1679","0.1783","","","","","","1.099","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205117","15.851","0.006","9.288","0.004","19.691","0.008","90","","90","","90","","2899","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.1165","0.0784","","","0.2086","0.2362","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205118","9.577","0.0009","11.5117","0.0011","12.398","0.0019","99.681","0.001","100.128","0.001","114.146","0.001","1183.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Ce Cu N2 O11 S2 -","- C22 H16 Ce Cu N2 O11 S2 -","- C44 H32 Ce2 Cu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0267","0.0237","","","0.0532","0.0551","","","","","","1.027","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205119","9.4926","0.0014","11.3728","0.0017","12.345","0.003","99.253","0.002","100.231","0.002","114.064","0.001","1156.5","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Dy N2 O11 S2 -","- C22 H16 Cu Dy N2 O11 S2 -","- C44 H32 Cu2 Dy2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0209","0.0196","","","0.0476","0.0482","","","","","","1.073","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205120","9.5144","0.0006","11.4162","0.0007","12.369","0.0012","99.415","0.001","100.2","0.001","114.01","0.001","1165.63","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Eu N2 O11 S2 -","- C22 H16 Cu Eu N2 O11 S2 -","- C44 H32 Cu2 Eu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0563","0.0577","","","","","","1.039","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205121","9.4878","0.001","11.3999","0.0012","12.373","0.002","99.388","0.001","100.155","0.001","113.963","0.001","1162","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Gd N2 O11 S2 -","- C22 H16 Cu Gd N2 O11 S2 -","- C44 H32 Cu2 Gd2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.024","0.0215","","","0.0481","0.0492","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205122","9.5121","0.0005","11.4333","0.0006","12.3811","0.001","99.46","0.001","100.168","0.001","114.012","0.001","1168.14","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Sm -","- C22 H16 Cu N2 O11 S2 Sm -","- C44 H32 Cu2 N4 O22 S4 Sm2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0266","0.024","","","0.0536","0.0552","","","","","","1.047","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205123","9.4951","0.0006","11.3913","0.0007","12.3599","0.0013","99.294","0.001","100.211","0.001","113.999","0.001","1160.67","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Tb -","- C22 H16 Cu N2 O11 S2 Tb -","- C44 H32 Cu2 N4 O22 S4 Tb2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0649","0.0659","","","","","","1.057","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205124","9.528","0.002","11.338","0.003","12.282","0.005","99.109","0.003","100.275","0.003","114.053","0.002","1152.1","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Er N2 O11 S2 -","- C22 H16 Cu Er N2 O11 S2 -","- C44 H32 Cu2 Er2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0217","0.0201","","","0.0479","0.0487","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205125","14.8496","0.001","14.8496","0.001","9.3759","0.0014","90","","90","","120","","1790.5","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","1","0.166667","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.0726","0.0473","","","0.1421","0.1834","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205126","12.915","0.003","17.707","0.004","33.205","0.007","97.718","0.004","100.731","0.004","99.178","0.004","7259","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H131 Cl4 Co13 N14 O58.5 -","- C126 H131 Cl4 Co13 N14 O58.5 -","- C252 H262 Cl8 Co26 N28 O117 -","2","1","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.2192","0.0973","","","0.1951","0.2569","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205127","10.265","0.0006","20.1499","0.001","35.2161","0.0019","90","","92.726","0.005","90","","7275.8","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0755","0.0411","","","0.0972","0.1068","","","","","","1.012","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205128","10.2615","0.0005","20.1539","0.0008","35.1975","0.0014","90","","92.633","0.004","90","","7271.5","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0602","0.0409","","","0.1096","0.1186","","","","","","1.002","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205129","10.2854","0.0004","20.0124","0.001","35.3666","0.0015","90","","93.093","0.004","90","","7269.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl Fe O13 S32 -","- C52 H40 Cl Fe O13 S32 -","- C208 H160 Cl4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0501","0.0378","","","0.091","0.0959","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205130","10.3011","0.0005","20.028","0.001","35.249","0.002","90","","92.567","0.005","90","","7264.9","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 F Fe O13 S32 -","- C52 H40 F Fe O13 S32 -","- C208 H160 F4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0788","0.0438","","","0.1033","0.1116","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205131","10.2794","0.0006","20.019","0.001","35.255","0.002","90","","92.496","0.005","90","","7248","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C209.6 H160 F2.4 Fe4 N1.6 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0598","0.0431","","","0.1077","0.1139","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205132","10.2877","0.0007","20.1034","0.0015","35.198","0.003","90","","92.821","0.008","90","","7270.7","1","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.86 H39.86 Cl0.28 Fe N0.86 O13 S32 -","- C52.858 H39.8584 Cl0.2792 Fe N0.8604 O13 S32 -","- C211.432 H159.434 Cl1.1168 Fe4 N3.4416 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0704","0.0461","","","0.1214","0.1304","","","","","","1.035","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205133","10.4247","0.0007","19.6843","0.0017","36.096","0.003","90","","90","","90","","7407","1","293","2","293","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C52.88 H39.88 Cl0.24 Fe N0.88 O13 S32 -","- C52.878 H39.8776 Cl0.2448 Fe N0.8776 O13 S32 -","- C211.512 H159.51 Cl0.9792 Fe4 N3.5104 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.1355","0.0522","","","0.1034","0.1156","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205134","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205135","10.2589","0.0006","20.068","0.001","35.45","0.002","90","","93.174","0.005","90","","7287.1","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.17 H40 Br0.83 Fe N0.17 O13 S32 -","- C52.174 H40 Br0.826 Fe N0.174 O13 S32 -","- C208.696 H160 Br3.304 Fe4 N0.696 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0789","0.051","","","0.1317","0.1415","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205136","15.159","0.003","18.821","0.003","19.798","0.003","90","","92.382","0.003","90","","5643.6","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0609","0.0521","","","0.1383","0.1435","","","","","","1.064","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205137","9.526","0.0005","15.031","0.0008","22.02","0.0011","70.544","0.001","78.347","0.001","84.906","0.001","2910.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cd3 N6 O19 -","- C60 H48 Cd3 N6 O19 -","- C120 H96 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0547","0.0419","","","0.1143","0.1211","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205138","20.838","0.0015","10.485","0.002","22.58","0.001","90","","102.968","0.001","90","","4807.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cd3 N4 O18 -","- C50 H38 Cd3 N4 O18 -","- C200 H152 Cd12 N16 O72 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0264","0.0234","","","0.0619","0.0635","","","","","","1.046","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205139","11.6201","0.0005","11.9085","0.0005","18.7329","0.0008","84.387","0.001","86.887","0.001","66.265","0.001","2361.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 Cd3 N4 O14 -","- C54 H30 Cd3 N4 O14 -","- C108 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.038","0.0305","","","0.0962","0.112","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205140","11.2","0.0009","11.5369","0.0009","18.3362","0.0014","88.221","0.001","81.475","0.001","70.83","0.001","2212.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cd3 N4 O14 -","- C50 H30 Cd3 N4 O14 -","- C100 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.03","0.0246","","","0.0607","0.0629","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205141","14.0039","0.0005","28.8677","0.0011","13.6293","0.0005","90","","118.546","0.001","90","","4840","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H36 Cd3 N4 O17 -","- C54 H36 Cd3 N4 O17 -","- C216 H144 Cd12 N16 O68 -","4","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0462","0.0555","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205142","13.511","0.003","14.864","0.003","17.527","0.003","66.948","0.002","86.831","0.002","67.297","0.003","2968.8","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H47 Cd3 N6 O19 -","- C66 H47 Cd3 N6 O19 -","- C132 H94 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0626","0.0439","","","0.1175","0.1296","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205143","12.475","0.002","19.304","0.003","46.775","0.005","90","","94.83","0.03","90","","11224","3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 O10 -","- C54 H78 O10 -","- C432 H624 O80 -","8","2","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.085","0.085","","0.139","0.139","","","","0.952","0.952","0.952","","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205144","17.706","0.003","12.622","0.002","21.853","0.004","90","","91.43","0.02","90","","4882.3","1.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Cl3 N O10 -","- C47 H61 Cl3 N O10 -","- C188 H244 Cl12 N4 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.163","0.099","","0.274","0.154","0.154","","","0.96","0.935","0.935","0.935","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205145","16.868","0.003","12.789","0.003","20.295","0.004","90","","102.33","0.02","90","","4277.1","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 O10 -","- C44 H57 O10 -","- C176 H228 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.164","0.078","","0.168","0.103","0.103","","","0.86","0.953","0.953","0.953","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205146","7.4649","0.0016","11.9022","0.0018","14.8739","0.0011","95.276","0.002","91.966","0.002","107.856","0.003","1249.8","0.3","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.045","0.0362","","","0.0725","0.0759","","","","","","1.081","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205147","7.4606","0.0012","11.9298","0.0018","14.8726","0.0009","95.338","0.002","91.95","0.001","107.916","0.001","1251.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0495","0.0386","","","0.0867","0.0929","","","","","","1.001","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205148","6.0782","0.0012","7.4777","0.0015","14.9506","0.001","87.655","0.01","82.692","0.01","71.802","0.001","640.29","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.044","0.0411","","","0.1009","0.1029","","","","","","1.058","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205149","6.1181","0.0017","7.498","0.001","15.0901","0.0014","87.224","0.002","82.128","0.002","71.99","0.001","652.1","0.2","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0605","0.0452","","","0.0945","0.1013","","","","","","1.035","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205150","7.9639","0.0005","24.3259","0.0016","16.0648","0.001","90","","90.412","0.002","90","","3112.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N4 Ni2 O11 -","- C34 H22 N4 Ni2 O11 -","- C136 H88 N16 Ni8 O44 -","4","1","","Wang, Chih-Chieh; Liu, Fang-Chen; Chiu, Chih-Kai; Song, You; Wang, Shih-Chi; Wang, Yu; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Yang, En-Che","Synthesis, structural characterization and magnetic behavior of a 2D bi-layer MOF, {[Ni2(C5O5)2(bpe)2]·H2O}n (bpe = 1,2-bis(4-pyridyl)ethylene)","CrystEngComm","2011","13","1","118","","10.1039/c0ce00111b","","","0.71073","MoKα","","0.0942","0.0651","","","0.1223","0.1325","","","","","","1.116","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205151","17.725","0.0005","17.725","0.0005","63.211","0.003","90","","90","","120","","17198.7","1.1","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H66 Cu3 N6 O6 P3 S6 -","- C42 H66 Cu3 N6 O6 P3 S6 -","- C504 H792 Cu36 N72 O72 P36 S72 -","12","0.666667","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0653","0.0351","","","0.0808","0.0879","","","","","","0.856","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205152","10.4051","0.0008","12.919","0.0012","16.2445","0.0015","80.986","0.007","76.688","0.007","79.581","0.007","2074.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C84 H92 Cu2 Fe2 N4 O4 P6 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.1292","0.0999","","","0.2523","0.2705","","","","","","1.014","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205153","13.7676","0.0007","13.8533","0.0008","16.8992","0.0008","67.726","0.004","66.131","0.004","63.955","0.004","2567.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0755","0.0581","","","0.1652","0.1776","","","","","","0.828","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205154","26.9217","0.0006","26.9217","0.0006","10.281","0.0002","90","","90","","90","","7451.4","0.3","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C52 H84 Cu4 N12 O8 P4 S8 -","- C52 H84 Cu4 N12 O8 P4 S8 -","- C208 H336 Cu16 N48 O32 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0402","0.0293","","","0.0625","0.0661","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205155","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205156","42.4396","0.0007","14.2832","0.0003","21.6031","0.0005","90","","117.638","0.004","90","","11601","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N4 O12 S4 -","- C52 H64 Cl4 N4 O12 S4 -","- C416 H512 Cl32 N32 O96 S32 -","8","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0811","0.0691","","","0.1764","0.1832","","","","","","1.015","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205157","24.564","0.0007","20.052","0.0005","10.7714","0.0003","90","","93.394","0.002","90","","5296.2","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O12 S4 -","- C50 H60 N4 O12 S4 -","- C200 H240 N16 O48 S16 -","4","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1201","0.092","","","0.2161","0.2342","","","","","","1.102","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205158","14.9385","0.0005","25.0431","0.0008","15.9995","0.0005","90","","91.281","0.002","90","","5984","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H146 N16 O27 S8 -","- C104 H130 N16 O25 S8 -","- C208 H260 N32 O50 S16 -","2","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0821","0.06","","","0.1389","0.1494","","","","","","0.981","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205159","20.3779","0.0012","20.3779","0.0012","76.563","0.009","90","","90","","120","","27534","4","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.84 H68.02 Cl1.34 N6 O13.17 S4 -","- C51 H62 N6 O12 S4 -","- C918 H1116 N108 O216 S72 -","18","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1431","0.0638","","","0.145","0.1634","","","","","","0.809","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205160","14.8193","0.001","25.0193","0.0018","16.0602","0.0011","90","","91.255","0.001","90","","5953.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H71 N8 O13.5 S4 -","- C55 H71 N8 O13.5 S4 -","- C220 H284 N32 O54 S16 -","4","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0891","0.0675","","","0.159","0.1722","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205161","9.7099","0.0019","17.216","0.003","19.642","0.004","72.85","0.03","86.38","0.03","88.62","0.03","3131.2","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 Cu4 I4 N9 -","- C62 H71 Cu4 I4 N9 -","- C124 H142 Cu8 I8 N18 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0921","0.0689","","","0.1383","0.1524","","","","","","1.077","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205162","14.0172","0.0018","16.221","0.002","18.554","0.002","89.714","0.002","69.778","0.002","72.194","0.002","3745","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H73 Br6 Hg3 N8 O S -","- C62 H73 Br6 Hg3 N8 O S -","- C124 H146 Br12 Hg6 N16 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0657","0.0412","","","0.1001","0.1063","","","","","","1.029","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205163","12.2129","0.0008","13.3117","0.0008","16.6923","0.001","71.161","0.001","75.701","0.001","62.988","0.001","2271.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hg3 I4 N6 -","- C38 H46 Hg3 I4 N6 -","- C76 H92 Hg6 I8 N12 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0481","0.0383","","","0.0978","0.1043","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205164","10.9505","0.0006","14.8255","0.0007","19.4605","0.0009","98.105","0.001","95.922","0.001","107.028","0.001","2955.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 Ag2 N6 -","- C60 H67 Ag4 N12 -","- C120 H134 Ag8 N24 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0823","0.0488","","","0.1413","0.1698","","","","","","1.02","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205165","10.097","0.002","13.533","0.003","15.409","0.003","104.053","0.003","97.686","0.003","94.555","0.004","2010.4","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Ag2 Br2 N6 O S -","- C40 H42 Ag2 Br2 N6 O S -","- C80 H84 Ag4 Br4 N12 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0525","0.0357","","","0.0962","0.1072","","","","","","1.032","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205166","9.3684","0.0014","13.897","0.002","14.595","0.002","103.651","0.002","102.976","0.002","104.986","0.002","1699.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Ag F6 N4 O0.5 P -","- C30 H34 Ag F6 N4 O0.5 P -","- C60 H68 Ag2 F12 N8 O P2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0543","0.0473","","","0.1486","0.1573","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205167","13.133","0.004","18.772","0.004","15.872","0.005","90","","104.706","0.005","90","","3784.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H43.88 Ag2 I0.1 N4 O1.88 -","- C34 H43.8828 Ag2 I0.1172 N4 O1.8828 -","- C136 H175.531 Ag8 I0.4688 N16 O7.5312 -","4","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.04","0.0352","","","0.1164","0.1192","","","","","","1.15","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205168","14.7807","0.0007","14.6784","0.0007","18.5397","0.0009","90","","111.032","0.001","90","","3754.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Br2 N7 -","- C40 H41 Br2 N7 -","- C160 H164 Br8 N28 -","4","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0675","0.0405","","","0.1205","0.1358","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205169","8.885","0.0011","10.6269","0.0013","13.0417","0.0016","78.793","0.002","80.799","0.002","66.276","0.002","1101.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","1","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0637","0.0559","","","0.1756","0.1845","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205170","10.84","0.01","14.535","0.013","18.079","0.016","90","","90","","90","","2849","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-Aib-Val","Tyr-Aib-Val","","- C24 H37 N3 O7 -","- C24 H37 N3 O7 -","- C96 H148 N12 O28 -","4","1","","Jana, Poulami; Maity, Sibaprasad; Haldar, Debasish","Insights into self-assembling nanoporous peptide and in situ reducing agent","CrystEngComm","2011","13","3","973","","10.1039/c0ce00143k","","","0.71073","MoKα","","0.1266","0.0504","","","0.0828","0.0919","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205171","19.129","0.003","19.129","0.003","6.764","0.0014","90","","90","","90","","2475.1","0.8","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H11 Cu O7 -","- C8 H10 Cu O7 -","- C64 H80 Cu8 O56 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0461","0.0399","","","0.1241","0.1294","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205172","19.146","0.003","19.146","0.003","6.7427","0.0013","90","","90","","90","","2471.7","0.7","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C10 H9 Cu O5 -","- C10 H9 Cu O5 -","- C80 H72 Cu8 O40 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0994","0.0893","","","0.2586","0.2704","","","","","","1.12","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205173","18.052","0.0004","13.836","0.0003","19.114","0.0004","90","","90","","90","","4774.06","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cu2 N O10 -","- C21 H10 Cu2 N O10 -","- C168 H80 Cu16 N8 O80 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.2341","0.1322","","","0.3095","0.3843","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205174","28.339","0.006","25.097","0.005","15.483","0.003","90","","90","","90","","11012","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C23 H27 Cu2 N2 O11 -","- C23 H9 Cu2 N2 O11 -","- C368 H144 Cu32 N32 O176 -","16","","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.1063","0.077","","","0.2313","0.2626","","","","","","1.076","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205175","17.781","0.004","28.331","0.006","10.766","0.002","90","","101.92","0.03","90","","5306","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H35 Cu4 N2 O22.5 -","- C36 H26 Cu4 N2 O22.48 -","- C144 H104 Cu16 N8 O89.92 -","4","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0682","0.0522","","","0.1645","0.179","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205176","13.3706","0.0003","22.8263","0.0004","21.5225","0.0005","90","","108.81","0.003","90","","6217.9","0.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C240 H280 Cl8 Cu12 N24 O88 Zn4 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0844","0.0387","","","0.0712","0.0766","","","","","","0.859","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205177","27.3303","0.0008","14.4792","0.0002","20.0508","0.0006","90","","124.977","0.004","90","","6501.4","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C248 H292 Cd4 Cl8 Cu12 N28 O88 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0286","0.0222","","","0.059","0.06","","","","","","1.054","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205178","12.8064","0.0005","19.7143","0.0008","20.4235","0.0009","90","","90","","90","","5156.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C184 H216 Cl8 Cu8 Hg8 N16 O72 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0245","0.0191","","","0.0466","0.0493","","","","","","1.066","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205179","14.3298","0.0006","13.3337","0.0006","22.393","0.001","90","","104.045","0.001","90","","4150.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Ag Cl Cu2 N4 O13 -","- C40 H46 Ag Cl Cu2 N4 O13 -","- C160 H184 Ag4 Cl4 Cu8 N16 O52 -","4","1","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0604","0.036","","","0.0718","0.0784","","","","","","1.021","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205180","11.9829","0.0013","13.6251","0.0015","18.421","0.002","101.895","0.004","102.698","0.004","101.016","0.004","2781.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 N12 Ni3 O9 -","- C57 H42 Cl2 N12 Ni3 O9 -","- C114 H84 Cl4 N24 Ni6 O18 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0841","0.0515","","","0.1393","0.1686","","","","","","0.946","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205181","11.2011","0.0004","20.4224","0.0007","21.3284","0.0007","87.517","0.001","88.43","0.001","74.111","0.001","4687.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H78 N24 Ni6 O11 -","- C96 H72 N24 Ni6 O11 -","- C192 H144 N48 Ni12 O22 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.1192","0.0632","","","0.1495","0.188","","","","","","1.005","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205182","11.3122","0.0003","20.4198","0.0005","21.5152","0.0005","93.457","0.001","90.374","0.001","104.83","0.001","4794.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 N26 Ni6 O15 -","- C96 H70 N26 Ni6 O15 -","- C192 H140 N52 Ni12 O30 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0677","0.0432","","","0.1211","0.1374","","","","","","1.003","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205183","8.1512","0.0007","15.0605","0.0013","14.8508","0.0012","90","","93.726","0.001","90","","1819.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0351","0.027","","","0.0676","0.0714","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205184","9.4664","0.001","14.5654","0.0015","15.1276","0.0016","90","","102.247","0.001","90","","2038.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0508","0.033","","","0.0724","0.0804","","","","","","1.014","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205185","9.6105","0.001","15.2014","0.0016","14.461","0.0015","90","","90.645","0.001","90","","2112.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 Zn -","- C21 H24 N4 O4 Zn -","- C84 H96 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0664","0.0434","","","0.1036","0.1156","","","","","","1.034","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205186","16.4763","0.0014","13.2934","0.0011","17.2155","0.0015","90","","90","","90","","3770.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.052","0.0336","","","0.076","0.0857","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205187","9.7754","0.001","10.1743","0.0011","11.46","0.0012","94.87","0.001","100.693","0.001","105.202","0.001","1070.03","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C42 H48 N8 O10 Zn2 -","2","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0366","0.03","","","0.0747","0.0791","","","","","","1.016","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205188","19.0114","0.0011","4.9005","0.0004","31.062","0.002","90","","103.635","0.005","90","","2812.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride","1,4-bis(2-[1-(2-amino-2-oxoethyl)-pyridinium-4-yl]vinyl)benzene dichloride","","- C24 H34 Cl2 N4 O7 -","- C24 H34 Cl2 N4 O7 -","- C96 H136 Cl8 N16 O28 -","4","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1039","0.0538","","","0.1211","0.1467","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205189","9.191","0.002","9.3575","0.0019","12.722","0.003","102.463","0.018","91.268","0.019","113.86","0.016","969.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate tetrahydrate","1,4-bis(2-[1-ethyl-pyridinium-4-yl]vinyl)benzene di-4-methylbenzenesulphonate tetrahydrate","","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","1","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1421","0.0653","","","0.1022","0.1227","","","","","","1.179","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205190","13.279","0.002","17.696","0.003","14.791","0.002","90","","101.907","0.004","90","","3400.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C38 H40 N2 O6 S2 -","- C38 H40 N2 O6 S2 -","- C152 H160 N8 O24 S8 -","4","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1158","0.0632","","","0.14","0.172","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205191","10.9786","0.0003","12.2743","0.0004","14.0937","0.0004","88.107","0.002","87.121","0.002","63.853","0.002","1702.56","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate - methanol (2:1)","","","- C37 H40 N2 O7 S2 -","- C37 H40 N2 O7 S2 -","- C74 H80 N4 O14 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1066","0.0615","","","0.1568","0.1757","","","","","","0.899","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205192","8.9032","0.0011","18.99","0.002","9.9994","0.0011","90","","92.093","0.005","90","","1689.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate dihydrate","","","- C36 H40 N2 O7 S2 -","- C36 H40 N2 O8 S2 -","- C72 H80 N4 O16 S4 -","2","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.0676","0.043","","","0.0958","0.1104","","","","","","0.979","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205193","10.806","0.002","12.627","0.003","13.592","0.003","90.359","0.009","93.936","0.008","114.693","0.007","1679.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C36 H36 N2 O6 S2 -","- C36 H36 N2 O6 S2 -","- C72 H72 N4 O12 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1411","0.0598","","","0.1415","0.1765","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205194","18.861","0.005","16.141","0.004","13.487","0.004","90","","90","","90","","4105.9","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H24 Cu N6 O10 S -","- C14 H24 Cu N6 O10 S -","- C112 H192 Cu8 N48 O80 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0986","0.0486","","","0.119","0.1405","","","","","","1.045","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205195","7.2549","0.0013","7.7629","0.0015","9.1054","0.0016","98.095","0.003","99.515","0.003","110.281","0.003","463.39","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","1","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0535","0.0477","","","0.1654","0.1729","","","","","","1.384","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205196","10.447","0.002","10.755","0.003","12.474","0.003","104.33","0.004","102.14","0.004","110.924","0.003","1197.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N6 O8 Zn -","- C19 H28 N6 O8 Zn -","- C38 H56 N12 O16 Zn2 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0722","0.0462","","","0.0941","0.1042","","","","","","1.015","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205197","31.51","0.007","8.534","0.002","18.891","0.004","90","","122.1","0.002","90","","4303.3","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cd Cl2 N14 O6 -","- C34 H46 Cd Cl2 N14 O6 -","- C136 H184 Cd4 Cl8 N56 O24 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0313","0.0269","","","0.0693","0.0721","","","","","","1.062","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205198","30.671","0.012","7.551","0.003","24.101","0.01","90","","122.271","0.004","90","","4720","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cd N6 O12 S -","- C14 H28 Cd N6 O12 S -","- C112 H224 Cd8 N48 O96 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0665","0.0396","","","0.0796","0.09","","","","","","1.017","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205199","6.5225","0.0004","10.6474","0.0006","23.2444","0.0014","90","","93.983","0.002","90","","1610.37","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","205596 (3631-97-01)","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0536","0.0447","","","0.1295","0.1367","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205200","8.1475","0.0007","11.2176","0.0009","14.8517","0.0013","75.956","0.002","84.712","0.002","73.34","0.002","1261.16","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3631-86-02 (205289)","","- C25 H28 N8 O7.2 -","- C25 H28 N8 O7.2 -","- C50 H56 N16 O14.4 -","2","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0687","0.0538","","","0.1427","0.1512","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205201","17.559","0.003","11.426","0.002","21.736","0.003","90","","114.588","0.011","90","","3965.4","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu2 N12 O9 -","- C36 H30 Cu2 N12 O9 -","- C144 H120 Cu8 N48 O36 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0966","0.0586","","","0.1319","0.1417","","","","","","1.034","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205202","13.607","0.002","17.518","0.003","9.3722","0.0016","90","","90","","90","","2234","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","0.5","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0496","0.0342","","","0.0685","0.0734","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205203","10.7532","0.0019","12.38","0.002","12.823","0.002","66.004","0.003","78.439","0.004","82.324","0.004","1525.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Co N6 O6 -","- C35 H29 Co N6 O6 -","- C70 H58 Co2 N12 O12 -","2","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.1089","0.0699","","","0.1603","0.1838","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205204","10.2262","0.0014","14.248","0.002","14.761","0.002","90","","102.849","0.002","90","","2096.9","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O6 Zn -","- C23 H18 N4 O6 Zn -","- C92 H72 N16 O24 Zn4 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0587","0.0493","","","0.1346","0.1391","","","","","","1.088","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205205","19.873","0.003","19.873","0.003","12.5477","0.0016","90","","90","","90","","4955.5","1.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H40 Cu2 N16 W -","- C48 H40 Cu2 N16 W -","- C192 H160 Cu8 N64 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.7107","MoKα","","0.0642","0.0583","","","0.0951","0.0968","","","","","","1.292","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205206","12.1408","0.0002","12.1408","0.0002","34.7802","0.0008","90","","90","","90","","5126.57","0.17","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H56 Co2 N16 O8 W -","- C32 H56 Co2 N16 O8 W -","- C128 H224 Co8 N64 O32 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.71073","MoKα","","0.0267","0.0224","","","0.0524","0.0536","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205207","12.9037","0.0011","6.1373","0.0005","18.3478","0.0016","90","","98.45","0.002","90","","1437.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O18 U3 -","- C20 H16 N6 O18 U3 -","- C40 H32 N12 O36 U6 -","2","0.5","","Knope, Karah E.; Cahill, Christopher L.","Uranyl triazolate formation via an in situ Huisgen 1,3-dipolar cycloaddition reaction","CrystEngComm","2011","13","1","153","","10.1039/c0ce00231c","","","0.71073","MoKα","","0.028","0.0215","","","0.0438","0.0458","","","","","","1.029","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205208","8.9604","0.0003","17.5585","0.0006","9.195","0.0003","90","","95.2519","0.0017","90","","1440.59","0.08","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 I N2 -","- C18 H11 I N2 -","- C72 H44 I4 N8 -","4","1","","Shishkin, Oleg V.; Dyakonenko, Viktorya V.; Maleev, Andrey V.; Schollmeyer, Dieter; Vysotsky, Myroslav O.","Columnar supramolecular architecture of crystals of 2-(4-Iodophenyl)-1,10-phenanthroline derived from values of intermolecular interaction energy","CrystEngComm","2011","13","3","800","","10.1039/c0ce00246a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0595","0.0606","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205209","14.112","0.003","26.191","0.005","12.785","0.003","90","","112.92","0.03","90","","4352.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Mn2 N6 O16 -","- C41 H26 Mn2 N6 O16 -","- C164 H104 Mn8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1142","0.0885","","","0.2257","0.2456","","","","","","1.023","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205210","14.381","0.003","16.173","0.003","21.049","0.004","89.88","0.03","89.88","0.03","65.1","0.03","4440.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 Co4 N12 O37.25 -","- C82 H54 Co4 N12 O37.25 -","- C164 H108 Co8 N24 O74.5 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0964","0.0795","","","0.1918","0.2008","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205211","8.1758","0.0016","11.792","0.002","14.983","0.003","73.99","0.03","77.45","0.03","78.48","0.03","1340.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 Ni O10 -","- C27 H17.5 N4 Ni O10 -","- C54 H35 N8 Ni2 O20 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1471","0.0875","","","0.2007","0.241","","","","","","1.038","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205212","8.2329","0.0016","25.653","0.005","12.817","0.003","90","","101.72","0.03","90","","2650.5","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 N4 O8 Zn -","- C27 H20 N4 O8 Zn -","- C108 H80 N16 O32 Zn4 -","4","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0419","0.0344","","","0.0767","0.0799","","","","","","1.068","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205213","28.506","0.006","10.93","0.002","13.22","0.003","90","","104.18","0.03","90","","3993.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Cd2 N6 O16 -","- C41 H26 Cd2 N6 O16 -","- C164 H104 Cd8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0524","0.0318","","","0.0642","0.0702","","","","","","0.953","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205214","9.2625","0.0004","13.1795","0.0005","11.728","0.0005","90","","97.562","0.002","90","","1419.25","0.1","","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.028","0.0219","","","0.0411","0.0436","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205215","12.7462","0.0003","8.5095","0.0002","13.1712","0.0003","90","","105.339","0.001","90","","1377.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0446","0.0361","","","0.0874","0.0919","","","","","","1.063","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205216","6.1736","0.0002","9.15","0.0002","24.7578","0.0006","90","","92.857","0.001","90","","1396.79","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0442","0.03","","","0.0608","0.0655","","","","","","1.065","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205217","12.159","0.004","12.159","0.004","20.852","0.006","90","","90","","90","","3082.8","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H40 Mo6 N16 Ni2 O19 -","- C48 H40 Mo6 N16 Ni2 O19 -","- C96 H80 Mo12 N32 Ni4 O38 -","2","0.125","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1238","0.1067","","","0.275","0.297","","","","","","1.055","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205218","8.494","0.003","12.987","0.005","15.187","0.006","91.213","0.006","94.185","0.005","108.525","0.005","1582.5","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","1","0.5","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1764","0.1088","","","0.2709","0.3239","","","","","","1.067","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205219","8.356","0.0006","9.822","0.0007","9.904","0.0007","68.292","0.001","85.2","0.001","82.759","0.001","748.57","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","1","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0586","0.0448","","","0.0781","0.0826","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205220","19.013","0.0004","9.2","0.0005","18.482","0.0008","90","","97.268","0.001","90","","3206.9","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 V4 Zn2 -","- C20 H28 N8 O12 V4 Zn2 -","- C80 H112 N32 O48 V16 Zn8 -","4","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0337","0.0318","","","0.0719","0.0727","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205221","15.574","0.0005","5.617","0.0007","19.09","0.0015","90","","108.408","0.001","90","","1584.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 O6 V2 Zn -","- C10 H6 N4 O6 V2 Zn -","- C40 H24 N16 O24 V8 Zn4 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0394","0.0346","","","0.0881","0.0908","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205222","20.7034","0.0004","7.5718","0.0002","30.7679","0.0009","90","","92.7486","0.0009","90","","4817.7","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O16 Zn -","- C17 H20 O16 Zn -","- C136 H160 O128 Zn8 -","8","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0904","0.0547","","","0.1423","0.1563","","","","","","0.978","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205223","10.8788","0.0002","30.1049","0.0006","8.5449","0.0002","90","","111.36","0.0014","90","","2606.27","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O15 Zn2 -","- C22 H23 N O15 Zn2 -","- C88 H92 N4 O60 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0787","0.0472","","","0.1215","0.1351","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205224","28.0246","0.0006","12.3747","0.0003","14.1946","0.0003","90","","109.489","0.0011","90","","4640.6","0.18","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Mn3 N2 O22 -","- C40 H24 Mn3 N2 O22 -","- C160 H96 Mn12 N8 O88 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0981","0.054","","","0.1342","0.1482","","","","","","0.941","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205225","10.2067","0.0004","11.1297","0.0006","13.9251","0.0005","112.663","0.003","104.574","0.003","94.796","0.0017","1383.57","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 Co2 O12 -","- C17 H8 Co2 O12 -","- C34 H16 Co4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.082","0.0486","","","0.1101","0.1162","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205226","8.5594","0.0001","9.7574","0.0002","11.5046","0.0002","67.7013","0.0009","81.9196","0.0008","71.414","0.0011","842.41","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Ag2 O11 -","- C17 H12 Ag2 O11 -","- C34 H24 Ag4 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0418","0.0312","","","0.0786","0.085","","","","","","1.022","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205227","13.8667","0.0004","14.8068","0.0004","14.605","0.0004","90","","114.175","0.0012","90","","2735.72","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd O10 -","- C18 H12 Cd O10 -","- C72 H48 Cd4 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0369","0.0337","","","0.0953","0.0974","","","","","","1.091","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205228","11.1099","0.0001","13.8909","0.0001","22.485","0.0004","90","","90","","90","","3470.03","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N4 O14 Zn2 -","- C30 H38 N4 O14 Zn2 -","- C120 H152 N16 O56 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0555","0.0383","","","0.0819","0.0878","","","","","","0.982","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205229","10.0777","0.0002","11.0012","0.0002","15.0573","0.0003","72.949","0.0012","77.0468","0.0011","81.3705","0.001","1548.98","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni2 O12 -","- C18 H12 Ni2 O12 -","- C36 H24 Ni4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0553","0.0379","","","0.096","0.1009","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205230","15.4803","0.0002","17.8109","0.0002","13.2541","0.0002","90","","104.711","0.0006","90","","3534.6","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag4 O22 -","- C36 H28 Ag4 O22 -","- C144 H112 Ag16 O88 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0583","0.0388","","","0.0894","0.0985","","","","","","1.003","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205231","16.437","0.0002","14.699","0.0002","17.5061","0.0002","90","","109.379","0.001","90","","3989.97","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O13 S Zn2 -","- C39 H34 N4 O13 S Zn2 -","- C156 H136 N16 O52 S4 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0882","0.0493","","","0.1277","0.1417","","","","","","0.943","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205232","7.7679","0.0002","10.6578","0.0004","12.8283","0.0003","78.834","0.002","73.855","0.002","80.3001","0.0012","993.41","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Ag2 N O10 -","- C22 H14 Ag2 N O10 -","- C44 H28 Ag4 N2 O20 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0537","0.0377","","","0.0884","0.0974","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205233","20.2908","0.0013","9.9513","0.0006","14.572","0.0009","90","","116.45","0.003","90","","2634.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Co N2 O10 -","- C28 H20 Co N2 O10 -","- C112 H80 Co4 N8 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0752","0.0532","","","0.1042","0.1119","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205234","13.5405","0.0003","21.5306","0.0005","13.5016","0.0003","90","","105.778","0.0013","90","","3787.89","0.15","110","2","110","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H26 Co2 N2 O12 -","- C30 H26 Co2 N2 O12 -","- C120 H104 Co8 N8 O48 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0602","0.0468","","","0.1139","0.1181","","","","","","1.044","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205235","5.09","","3.6663","","18.0741","","90","","90","","90","","337.289","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1H-5aminotetrazole","1H-5aminotetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.0736","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205236","4.9624","","3.2575","","17.5375","","90","","90","","90","","283.494","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.017","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205237","4.8628","","3.0809","","17.2703","","90","","90","","90","","258.74","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.006","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205238","13.1695","0.0011","17.148","0.0011","14.6239","0.0016","90","","107.916","0.001","90","","3142.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cu2 N0 O25 -","- C16 H40 Cu2 O25 -","- C64 H160 Cu8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0502","0.0431","","","0.1202","0.1241","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205239","14.223","0.002","19.095","0.003","15.143","0.002","90","","113.099","0.002","90","","3782.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N4 Ni2 O16 -","- C36 H36 N4 Ni2 O16 -","- C144 H144 N16 Ni8 O64 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1141","0.0494","","","0.0882","0.1014","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205240","13.1584","0.0005","17.1511","0.0005","14.6293","0.0005","90","","107.968","0.004","90","","3140.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Ni2 O25 -","- C16 H20 Ni2 O25 -","- C64 H80 Ni8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0577","0.0351","","","0.0751","0.0781","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205241","9.879","0.004","11.397","0.004","21.932","0.008","90","","93.03","0.005","90","","2465.9","1.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H22 Co N2 O11 -","- C26 H20 Co N2 O11 -","- C104 H80 Co4 N8 O44 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0738","0.052","","","0.1058","0.1166","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205242","14.264","","19.306","","15.435","","90","","113.44","","90","","3899.74","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O17 Zn2 -","- C36 H36 N4 O17 Zn2 -","- C144 H144 N16 O68 Zn8 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1214","0.0531","","","0.1084","0.1314","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205243","13.4203","0.0003","7.9925","0.0001","21.9329","0.0004","90","","98.726","0.001","90","","2325.33","0.07","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C46 H47 N4 Ni2 O9 S4 -","- C46 H47 N4 Ni2 O9 S4 -","- C92 H94 N8 Ni4 O18 S8 -","2","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0515","","","0.1428","0.1508","","","","","","1.055","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205244","17.0825","0.0002","11.5048","0.0001","9.5315","0.0001","90","","92.629","0.001","90","","1871.26","0.03","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N2 O4 S2 -","- C20 H16 Co N2 O4 S2 -","- C80 H64 Co4 N8 O16 S8 -","4","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0254","","","0.0674","0.0698","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205245","9.785","0.002","8.0179","0.0016","19.629","0.004","90","","93.61","0.03","90","","1536.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Ag2 Cl2 N14 O8 -","- C26 H22 Ag2 Cl2 N14 O8 -","- C52 H44 Ag4 Cl4 N28 O16 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0667","0.0339","","","0.0671","0.0758","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205246","9.6693","0.001","10.2699","0.0011","11.6983","0.0013","79.178","0.002","72.441","0.002","64.003","0.002","993.39","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","1","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0734","0.0639","","","0.1462","0.1509","","","","","","1.168","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205247","9.7471","0.0002","22.0918","0.0004","9.0346","0.0002","90","","113.243","0.0009","90","","1787.53","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag2 F6 N14 O6 S2 -","- C28 H22 Ag2 F6 N14 O6 S2 -","- C56 H44 Ag4 F12 N28 O12 S4 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0409","0.0322","","","0.0847","0.0886","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205248","14.1853","0.0003","12.2037","0.0002","26.1827","0.0005","90","","104.167","0.0009","90","","4394.72","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Ag2 F12 N12 O5 P2 -","- C28 H46 Ag2 F12 N12 O5 P2 -","- C112 H184 Ag8 F48 N48 O20 P8 -","4","1","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.1009","0.0473","","","0.1128","0.1334","","","","","","1.032","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205249","8.5909","0.0008","27.272","0.002","10.5706","0.0009","90","","105.897","0.005","90","","2381.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Mn N5 O8 -","- C24 H15 Mn N5 O8 -","- C96 H60 Mn4 N20 O32 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0551","0.0458","","","0.1073","0.1152","","","","","","1.099","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205250","16.913","0.008","9.364","0.004","28.085","0.013","90","","101.681","0.009","90","","4356","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Mn2 N8 O21 -","- C38 H22 Mn2 N8 O21 -","- C152 H88 Mn8 N32 O84 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1067","0.0876","","","0.2292","0.2446","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205251","24.82","0.002","13.4888","0.0009","7.3141","0.0005","90","","90","","90","","2448.7","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H18 Mn N5 O9.5 -","- C24 H15 Mn N5 O9.5 -","- C96 H60 Mn4 N20 O38 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0627","0.0489","","","0.1071","0.1147","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205252","33.857","0.013","9.373","0.003","29.727","0.011","90","","112.2","0.007","90","","8734","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H56 Mn4 N18 O34 -","- C86 H52 Mn4 N18 O34 -","- C344 H208 Mn16 N72 O136 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1072","0.0679","","","0.1696","0.1959","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205253","9.207","0.001","24.232","0.003","17.811","0.002","90","","114.068","0.005","90","","3628.2","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N6 O12 -","- C36 H30 N6 O12 -","- C144 H120 N24 O48 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1042","0.0577","","","0.1465","0.167","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205254","9.133","0.003","19.628","0.006","22.662","0.006","90","","107.77","0.01","90","","3869","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 N9 O6 -","- C42 H39 N9 O6 -","- C168 H156 N36 O24 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1482","0.0711","","","0.1649","0.1905","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205255","9.5891","0.0005","16.8764","0.0008","8.6411","0.0004","90","","108.031","0.004","90","","1329.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N4 O4 -","- C12 H12 Cd N4 O4 -","- C48 H48 Cd4 N16 O16 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0244","0.0212","","","0.056","0.0574","","","","","","1.049","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205256","10.6762","0.0003","14.9236","0.0005","10.2986","0.0003","90","","95.463","0.002","90","","1633.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cd N4 O6 -","- C11 H22 Cd N4 O6 -","- C44 H88 Cd4 N16 O24 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0264","0.0235","","","0.0608","0.0622","","","","","","1.026","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205257","6.5073","0.0005","9.4505","0.0008","9.567","0.0009","65.998","0.007","85.229","0.007","72.619","0.007","512.43","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","1","0.5","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0222","0.0213","","","0.0528","0.0533","","","","","","1.13","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205258","12.026","0.002","14.039","0.003","24.77","0.005","90","","90.44","0.03","90","","4181.9","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I9 N3 Pb3 -","- C21 H27 I9 N3 Pb3 -","- C84 H108 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1164","0.0785","","","0.1435","0.1622","","","","","","1.097","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205259","12.328","0.003","14.341","0.003","24.982","0.005","90","","90.24","0.03","90","","4416.7","1.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 I9 N3 Pb3 -","- C24 H33 I9 N3 Pb3 -","- C96 H132 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1013","0.0722","","","0.1244","0.1369","","","","","","1.109","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205260","16.182","0.003","21.323","0.004","17.966","0.004","90","","103.44","0.03","90","","6029","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 I12 N4 Pb4 -","- C32 H44 I12 N4 Pb4 -","- C128 H176 I48 N16 Pb16 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1803","0.0986","","","0.1842","0.2363","","","","","","1.062","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205261","16.743","0.003","14.793","0.003","28.814","0.006","90","","94.97","0.03","90","","7110","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 I12 N11 Pb4 -","- C38 H45 I12 N11 Pb4 -","- C152 H180 I48 N44 Pb16 -","4","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1252","0.0725","","","0.1437","0.172","","","","","","1.045","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205262","7.861","0.0011","12.7769","0.0019","16.133","0.002","90","","97.655","0.004","90","","1605.9","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I3 N2 Pb -","- C9 H11 I3 N2 Pb -","- C36 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0948","0.065","","","0.2498","0.2694","","","","","","1.153","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205263","19.208","0.003","19.208","0.003","7.8129","0.0016","90","","90","","120","","2496.4","0.8","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H33 I9 N6 Pb3 -","- C27 H33 I9 N6 Pb3 -","- C54 H66 I18 N12 Pb6 -","2","0.333333","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0635","0.0403","","","0.064","0.0721","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205264","8.0356","0.0016","14.126","0.003","16.065","0.003","90","","93.41","0.03","90","","1820.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I3 N2 Pb -","- C13 H11 I3 N2 Pb -","- C52 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0724","0.0528","","","0.11","0.1188","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205265","7.7261","0.0015","21.194","0.004","19.674","0.004","90","","94.01","0.03","90","","3213.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 I12 N8 Pb4 -","- C40 H32 I12 N8 Pb4 -","- C80 H64 I24 N16 Pb8 -","2","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0804","0.0372","","","0.0597","0.0695","","","","","","0.815","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205266","18.894","0.0002","9.387","0.0001","36.767","0.0004","90","","101.624","0.001","90","","6387.18","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 N8 O6 Zn1.5 -","- C32 H29 N8 O6 Zn1.5 -","- C256 H232 N64 O48 Zn12 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0407","0.0306","","","0.0706","0.0762","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205267","13.965","0.0005","10.813","0.0004","24.206","0.0008","90","","98.454","0.002","90","","3615.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18 N4 O4.5 Zn -","- C17.5 H16.5 N4 O4.5 Zn -","- C140 H132 N32 O36 Zn8 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0719","0.0483","","","0.1093","0.1217","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205268","20.099","0.0006","9.143","0.0004","17.549","0.0007","90","","115.116","0.002","90","","2920","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N8 O5 Zn -","- C30 H26 N8 O5 Zn -","- C120 H104 N32 O20 Zn4 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0904","0.0582","","","0.1443","0.1696","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205269","5.275","0.0001","21.507","0.0003","12.253","0.0002","90","","101.063","0.001","90","","1364.26","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl2 N4 Zn -","- C13 H10 Cl2 N4 Zn -","- C52 H40 Cl8 N16 Zn4 -","4","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0317","0.0263","","","0.0628","0.0658","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205270","7.423","0.0002","8.846","0.0003","14.056","0.0005","90.48","0.001","104.689","0.001","101.917","0.002","871.76","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N5 O6 Zn0.5 -","- C15 H20 N5 O6 Zn0.5 -","- C30 H40 N10 O12 Zn -","2","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0606","0.0389","","","0.0846","0.091","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205271","10.7882","0.0013","12.3072","0.0012","14.2893","0.0014","83.183","0.007","69.59","0.007","65.174","0.008","1612.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 N6 O10 S Zn2.5 -","- C23 H19 N6 O10 S Zn2.5 -","- C46 H38 N12 O20 S2 Zn5 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.0957","0.0789","","","0.2159","0.2274","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205272","17.4744","0.0013","9.8931","0.0008","25.4804","0.0014","90","","131.238","0.003","90","","3312.4","0.4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 Cd11 N8 O1.5 S8.25 Zn -","- C28 H19 Cd N8 O11 S Zn0.5 -","- C112 H76 Cd4 N32 O44 S4 Zn2 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.1193","0.1023","","","0.2532","0.2613","","","","","","1.657","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205273","25.0558","0.0007","6.88418","0.00018","11.5251","0.0003","90","","108.977","0.003","90","","1879.9","0.09","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H7.5 Cd2.25 O8 S0.5 -","- C4 H7.5 Cd2.25 O8 S0.5 -","- C32 H60 Cd18 O64 S4 -","8","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0266","0.0237","","","0.0564","0.0574","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205274","17.181","0.003","9.5978","0.0011","24.677","0.003","90","","130.288","0.009","90","","3104","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 N8 O11 S Zn1.5 -","- C28 H19 N8 O11 S Zn1.5 -","- C112 H76 N32 O44 S4 Zn6 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.129","0.0762","","","0.1777","0.195","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205275","8.7544","0.0007","10.1037","0.0007","10.4206","0.0006","72.928","0.005","79.968","0.005","69.699","0.007","823.68","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cu3 O13 S -","- C10 H11 Cu3 O13 S -","- C20 H22 Cu6 O26 S2 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0265","0.0227","","","0.0624","0.0632","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205276","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205277","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205278","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205279","11.9923","0.0005","12.575","0.0006","18.074","0.0008","90","","103.045","0.002","90","","2655.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl N4 O13 -","- C24 H25 Cl N4 O13 -","- C96 H100 Cl4 N16 O52 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.165","0.046","","","0.0848","0.0969","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205280","6.834","0.0009","12.5542","0.0011","16.8656","0.0018","99.533","0.005","94.301","0.006","99.636","0.007","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 N4 O11 -","- C26 H25 F3 N4 O11 -","- C52 H50 F6 N8 O22 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.17","0.0688","","","0.0946","0.1081","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205281","15.4544","0.0009","17.932","0.0009","18.607","0.001","116.352","0.003","94.269","0.005","106.342","0.003","4313.2","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 F6 N8 O20 Si -","- C48 H50 F6 N8 O20 Si -","- C144 H150 F18 N24 O60 Si3 -","3","1.5","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1594","0.0935","","","0.2127","0.244","","","","","","1.161","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205282","4.871","0.002","6.398","0.001","28.42","0.006","90","","96.57","0.02","90","","879.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-(p-phenylenedimethylidyne)bis(2,3,4,5,6- pentafluoroaniline)","N,N'-(p-phenylenedimethylidyne)bis[2,3,4,5,6-pentafluoroaniline]","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0591","0.0331","","","0.0836","0.0963","","","","","","1.005","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205283","6.223","0.002","5.907","0.001","24.427","0.008","90","","103.8","0.03","90","","872","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.1477","0.0562","","","0.1361","0.1738","","","","","","1.043","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205284","5.846","0.002","7.929","0.002","10.331","0.003","109.78","0.02","102.35","0.03","96.13","0.03","431.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4- phenylenediamine","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4-phenylenediamine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","1","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0701","0.0562","","","0.1554","0.1696","","","","","","1.047","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205285","20.249","0.004","21.122","0.004","22.153","0.004","90","","90","","90","","9475","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H51 Bi Cu2 N10 O63 W18 -","- C50 H38 Bi Cu2 N10 O63 W18 -","- C200 H152 Bi4 Cu8 N40 O252 W72 -","4","0.5","","Wang, Bin; Hou, Guang-Feng; Meng, Rui-Qi; Bi, Li-Hua; Li, Bao; Wu, Li-Xin","A novel NbO-type framework constructed from Dawson-like tungstobismuthate and copper complex fragments","CrystEngComm","2011","13","5","1360","","10.1039/c0ce00327a","","","0.71073","MoKα","","0.0683","0.0557","","","0.1073","0.1114","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205286","9.6342","0.0014","12.1379","0.0017","13.3493","0.0019","90","","104.034","0.002","90","","1514.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N2 O6 -","- C17 H10 Cu N2 O6 -","- C68 H40 Cu4 N8 O24 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0901","0.0494","","","0.131","0.1538","","","","","","0.873","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205287","8.872","0.003","14.004","0.005","15.346","0.005","71.07","0.006","73.666","0.007","76.13","0.007","1707.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N4 O15 Zn2 -","- C34 H20 N4 O15 Zn2 -","- C68 H40 N8 O30 Zn4 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0986","0.0627","","","0.1415","0.1635","","","","","","1.148","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205288","8.5318","0.0014","10.7273","0.0017","11.1772","0.0018","71.72","0.003","73.501","0.003","70.674","0.002","897.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 Zn -","- C19 H14 N2 O8 Zn -","- C38 H28 N4 O16 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0795","0.0466","","","0.1057","0.123","","","","","","1.014","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205289","7.6821","0.0008","9.8561","0.001","13.5031","0.0014","84.562","0.002","80.973","0.002","76.465","0.002","979.89","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O10 Zn -","- C19 H16 N2 O10 Zn -","- C38 H32 N4 O20 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0655","0.0448","","","0.1165","0.1398","","","","","","1.084","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205290","10.9267","0.0015","23.869","0.004","8.9977","0.0013","90","","113.911","0.003","90","","2145.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 Ni O11 -","- C19 H10 N2 Ni O11 -","- C76 H40 N8 Ni4 O44 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.142","0.0829","","","0.2139","0.2581","","","","","","1.046","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205291","12.634","0.002","12.944","0.002","19.357","0.003","90","","102.815","0.003","90","","3086.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28.6 N4 O11.3 Zn -","- C31 H28.6 N4 O11.3 Zn -","- C124 H114.4 N16 O45.2 Zn4 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.1651","0.0726","","","0.1822","0.2276","","","","","","0.991","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7205292","13.8255","0.0008","6.7309","0.0004","23.8617","0.0015","90","","99.269","0.001","90","","2191.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 Ni2 O18 U -","- C40 H48 N6 Ni2 O18 U -","- C80 H96 N12 Ni4 O36 U2 -","2","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0413","0.0285","","","0.0621","0.0663","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205293","9.3676","0.0003","11.8493","0.0004","11.8723","0.0003","70.658","0.003","88.787","0.002","78.815","0.003","1218.5","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.02","0.0189","","","0.0433","0.0435","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205294","9.5289","0.0003","11.6487","0.0004","11.8174","0.0004","70.475","0.003","88.426","0.002","77.801","0.003","1207.05","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0243","0.0216","","","0.0477","0.0481","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205295","17.1119","0.0004","14.9193","0.0002","13.1779","0.0003","90","","118.496","0.003","90","","2956.7","0.13","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu N4 O14 U -","- C24 H32 Cu N4 O14 U -","- C96 H128 Cu4 N16 O56 U4 -","4","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0277","0.0193","","","0.0405","0.0414","","","","","","0.911","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205296","6.1645","0.0012","10.074","0.002","13.503","0.003","68.951","0.002","80.872","0.002","76.667","0.002","758.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.036","0.0338","","","0.0887","0.0902","","","","","","1.036","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205297","6.1139","0.0012","9.983","0.0019","13.413","0.003","68.931","0.002","80.96","0.002","76.689","0.002","740.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0464","0.0374","","","0.0839","0.0867","","","","","","0.987","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205298","6.1009","0.0008","9.9758","0.0016","13.3825","0.0018","68.871","0.001","81.033","0.002","76.75","0.002","737.09","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0376","0.032","","","0.072","0.0742","","","","","","1.081","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205299","6.0922","0.0005","9.9633","0.0009","13.3598","0.0012","68.853","0.001","81.104","0.001","76.848","0.001","734.12","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0221","0.0209","","","0.0526","0.0533","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205300","6.078","0.003","9.95","0.005","13.337","0.007","68.823","0.006","81.142","0.007","76.813","0.007","730","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0798","0.0651","","","0.156","0.1651","","","","","","0.98","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205301","6.0535","0.0006","9.9159","0.0009","13.2903","0.0012","68.832","0.001","81.273","0.001","76.875","0.001","722.36","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0367","0.0329","","","0.0718","0.073","","","","","","0.973","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205302","5.995","0.0005","19.0242","0.0016","12.1311","0.0008","90","","119.201","0.003","90","","1207.72","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Eu N3 O9 -","- C9 H9 Eu N3 O9 -","- C36 H36 Eu4 N12 O36 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0235","0.0208","","","0.0495","0.0506","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205303","6.002","0.002","19.161","0.007","12.255","0.004","90","","118.793","0.013","90","","1235.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Pr -","- C9 H9 N3 O9 Pr -","- C36 H36 N12 O36 Pr4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0528","0.0468","","","0.1113","0.114","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205304","6.0008","0.0004","19.0754","0.0014","12.1796","0.0007","90","","119.05","0.003","90","","1218.78","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Sm -","- C9 H9 N3 O9 Sm -","- C36 H36 N12 O36 Sm4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0299","0.0275","","","0.0673","0.0685","","","","","","1.018","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205305","5.9955","0.0014","18.987","0.004","12.101","0.003","90","","119.371","0.009","90","","1200.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Tb -","- C9 H9 N3 O9 Tb -","- C36 H36 N12 O36 Tb4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0324","0.0281","","","0.0641","0.066","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205306","13.191","0.0008","10.3449","0.0005","7.4635","0.0004","90","","102.23","0.006","90","","995.35","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(nicotinic acid hydrazide)2","(adipic acid).(nicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0618","0.0502","","","0.1285","0.1317","","","","","","1.21","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205307","5.088","0.0002","38.997","0.0016","6.347","0.0002","90","","94.128","0.004","90","","1256.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0756","0.0664","","","0.1253","0.1278","","","","","","1.19","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205308","8.083","0.0004","26.586","0.001","8.097","0.0004","90","","104.449","0.004","90","","1684.97","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(succinic acid).(nicotinic acid hydrazide)2","(succinic acid).(nicotinic acid hydrazide)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C64 H80 N24 O24 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0489","0.0359","","","0.0904","0.0946","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205309","5.0707","0.0001","44.5556","0.0008","6.3992","0.0001","90","","94.587","0.002","90","","1441.13","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0834","0.0806","","","0.1912","0.1933","","","","","","0.995","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205310","12.876","0.003","13.256","0.003","14.198","0.003","66.67","0.03","67.42","0.03","75.36","0.03","2040.1","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H50 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","1","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1142","0.0695","","","0.1549","0.1778","","","","","","1.065","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205311","11.366","0.002","11.188","0.002","19.927","0.004","90","","90","","90","","2534","0.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cl2 Cu2 N4 O -","- C26 H21 Cl2 Cu2 N4 O -","- C104 H84 Cl8 Cu8 N16 O4 -","4","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1092","0.0671","","","0.1763","0.2062","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205312","14.5138","0.0011","17.2793","0.0013","25.1262","0.0016","90","","107.933","0.004","90","","5995.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Ag4 N12 O9 -","- C59 H52 Ag4 N12 O9 -","- C236 H208 Ag16 N48 O36 -","4","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0944","0.0508","","","0.0818","0.0879","","","","","","1.05","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205313","13.85","0.0012","15.0646","0.0013","21.0658","0.0018","90","","90","","90","","4395.3","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H80 Ag4 N16 O18 -","- C90 H80 Ag4 N16 O18 -","- C180 H160 Ag8 N32 O36 -","2","0.25","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.1074","0.0631","","","0.1335","0.1437","","","","","","1.02","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205314","12.561","0.002","13.1448","0.0012","18.7697","0.0018","84.391","0.002","83.666","0.001","76.304","0.003","2984.4","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H43 Ag8 N8 O16 -","- C62 H43 Ag8 N8 O16 -","- C124 H86 Ag16 N16 O32 -","2","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0871","0.0582","","","0.1224","0.1287","","","","","","1.062","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205315","7.2871","0.0015","7.9395","0.0016","8.5516","0.0017","117.58","0.03","95.8","0.03","93.48","0.03","433","0.2","118","2","118","2","","","","","","","","5","P -1","-P 1","2","2-chloro-4-nitrobenzoic acid hydrate","2-chloro-4-nitrobenzoic acid hydrate","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0292","0.0287","","","0.0736","0.0741","","","","","","1.082","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205316","6.918","0.003","8.368","0.003","9.714","0.003","106.777","0.002","93.774","0.004","108.433","0.005","503.1","0.3","136","2","136","2","","","","","","","","5","P -1","-P 1","2","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H8 Cl N O5 -","- C9 H8 Cl N O5 -","- C18 H16 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0523","0.0483","","","0.1188","0.1221","","","","","","1.142","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205317","5.497","0.003","10.408","0.004","10.594","0.004","74.095","0.015","81.029","0.012","85.487","0.016","575.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","DMSO solvate of 2-chloro-4-nitrobenzoic acid","DMSO solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H10 Cl N O5 S -","- C9 H10 Cl N O5 S -","- C18 H20 Cl2 N2 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0502","0.0485","","","0.1256","0.1269","","","","","","1.214","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205318","5.8156","0.0012","10.387","0.002","12.207","0.002","83.67","0.03","77.63","0.03","81.03","0.03","709.2","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C30 H24 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0432","0.04","","","0.1076","0.1171","","","","","","1.15","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205319","10.79","0.002","11.767","0.002","8.9666","0.0018","90","","90.71","0.03","90","","1138.4","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","","- C22 H18 Cl2 N2 O8 -","- C22 H18 Cl2 N2 O8 -","- C44 H36 Cl4 N4 O16 -","2","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0749","0.0669","","","0.174","0.1861","","","","","","1.196","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205320","23.088","0.005","12.018","0.002","8.9206","0.0018","90","","110.29","0.03","90","","2321.6","0.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","","- C23 H20 Cl2 N2 O8 -","- C23 H20 Cl2 N2 O8 -","- C92 H80 Cl8 N8 O32 -","4","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0594","0.052","","","0.1381","0.1511","","","","","","1.183","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205321","8.3337","0.0003","14.6878","0.0004","18.7462","0.0005","90","","90","","90","","2294.6","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H29 Cs O11 -","- C20 H29 Cs O11 -","- C80 H116 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0744","0.0328","","","0.0426","0.0472","","","","","","0.698","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205322","8.2066","0.0002","15.3598","0.0004","18.9926","0.0004","90","","90","","90","","2394.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O10 -","- C21 H31 Cs O10 -","- C84 H124 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0518","0.0361","","","0.0515","0.0538","","","","","","0.87","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205323","8.2041","0.0002","15.3854","0.0004","19.3495","0.0006","90","","90","","90","","2442.36","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Br Cs O10 -","- C20 H28 Br Cs O10 -","- C80 H112 Br4 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0633","0.0479","","","0.1189","0.1238","","","","","","1.028","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205324","8.1436","0.0002","14.9847","0.0002","20.1066","0.0004","90","","90","","90","","2453.6","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O11 -","- C21 H31 Cs O11 -","- C84 H124 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0337","0.027","","","0.0517","0.0529","","","","","","0.975","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205325","8.1755","0.0002","15.5119","0.0003","19.1951","0.0003","90","","90","","90","","2434.28","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Cs N O12 -","- C20 H28 Cs N O12 -","- C80 H112 Cs4 N4 O48 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0392","0.0295","","","0.041","0.0422","","","","","","0.895","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205326","12.4406","0.0003","16.237","0.0005","14.1394","0.0004","90","","98.318","0.002","90","","2826.09","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CROWN ETHER COMPLEX","","","- C24 H37 Cs O10 -","- C24 H37 Cs O10 -","- C96 H148 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0684","0.0407","","","0.0901","0.0955","","","","","","0.939","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205327","7.8327","0.0016","19.556","0.004","12.624","0.003","90","","97.82","0.03","90","","1915.7","0.7","164","2","164","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cu2 F6 N6 O10 S2 -","- C30 H34 Cu2 F6 N6 O10 S2 -","- C60 H68 Cu4 F12 N12 O20 S4 -","2","1","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","","","0.71073","MoKα","","0.1413","0.0783","","","0.1564","0.1743","","","","","","0.998","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205328","10.92547","0.00017","7.96493","0.00012","18.36893","0.0003","90","","116.075","0.00084","90","","1435.78","0.04","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cu2 F6 N4 O8 S2 -","- C24 H20 Cu2 F6 N4 O8 S2 -","- C48 H40 Cu4 F12 N8 O16 S4 -","2","0.5","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0125","","1.78","","","","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205329","23.374","0.004","27.595","0.004","13.619","0.002","90","","90","","90","","8784","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H18 Cd N5 O6 -","- C21 H18 Cd N5 O6 -","- C336 H288 Cd16 N80 O96 -","16","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0326","0.0282","","","0.067","0.0697","","","","","","0.949","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205330","8.444","0.005","9.314","0.005","18.782","0.011","90","","95.106","0.007","90","","1471.3","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Fe2 N4 O10 -","- C12 H6 Fe2 N4 O10 -","- C48 H24 Fe8 N16 O40 -","4","0.5","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0695","0.0525","","","0.1606","0.173","","","","","","1.095","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205331","9.7125","0.0016","18.472","0.003","11.85","0.002","90","","94.31","0.002","90","","2120","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N4 O11.5 -","- C16 H16 Cu2 N4 O11.5 -","- C64 H64 Cu8 N16 O46 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0495","0.0394","","","0.1179","0.1262","","","","","","0.944","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205332","12.7702","0.0016","8.2854","0.001","11.1489","0.0014","90","","95.42","0.01","90","","1174.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 As O9 S Zn2 -","- C6 H9 As O9 S Zn2 -","- C24 H36 As4 O36 S4 Zn8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0407","0.0339","","","0.0843","0.0887","","","","","","1.029","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205333","12.5726","0.0008","13.0537","0.0007","14.0286","0.0011","90","","96.83","0.005","90","","2286","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 As2 Cd3 O16 S2 -","- C12 H16 As2 Cd3 O15.992 S1.996 -","- C48 H64 As8 Cd12 O63.968 S7.984 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0727","0.0514","","","0.1023","0.1122","","","","","","1.08","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205334","10.32","0.003","14.576","0.004","20.283","0.006","79.202","0.007","83.149","0.006","88.874","0.008","2975.6","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 As2 N8 O18 S2 Zn2 -","- C52 H52 As2 N8 O18 S2 Zn2 -","- C104 H104 As4 N16 O36 S4 Zn4 -","2","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1028","0.0665","","","0.1746","0.2012","","","","","","1.035","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205335","8.191","0.005","20.656","0.012","21.283","0.013","90","","94.942","0.013","90","","3588","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 As2 Cd2 N4 O12 S2 -","- C32 H26 As2 Cd2 N4 O12 S2 -","- C128 H104 As8 Cd8 N16 O48 S8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1116","0.08","","","0.1569","0.1746","","","","","","1.155","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205336","19.161","0.006","14.429","0.004","14.001","0.004","90","","90.449","0.004","90","","3871","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 As2 N4 O14 S2 Zn2 -","- C36 H30 As2 N4 O14 S2 Zn2 -","- C144 H120 As8 N16 O56 S8 Zn8 -","4","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.03","0.0269","","","0.0642","0.066","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205337","8.003","0.003","11.771","0.004","21.224","0.009","81.526","0.009","81.531","0.009","75.679","0.01","1903.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1098","0.0645","","","0.1334","0.1533","","","","","","0.88","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205338","8.631","0.007","11.609","0.007","11.754","0.007","60.83","0.03","73.29","0.04","75.08","0.04","975.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0988","0.0787","","","0.1591","0.1742","","","","","","0.923","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205339","8.393","0.002","9.906","0.003","13.577","0.004","88.783","0.009","74.243","0.006","75.784","0.008","1051.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0579","0.0389","","","0.0801","0.0885","","","","","","1.033","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205340","8.43","0.003","11.21","0.004","13.47","0.005","91.35","0.002","107.89","0.005","111.45","0.004","1114.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0273","0.0226","","","0.0584","0.0602","","","","","","1.061","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205341","14.0169","0.0011","8.0918","0.0005","15.4783","0.0014","90","","93.599","0.006","90","","1752.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 As N2 O6 S Zn -","- C16 H13 As N2 O6 S Zn -","- C64 H52 As4 N8 O24 S4 Zn4 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0399","0.0324","","","0.0727","0.0766","","","","","","1.065","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205342","17.88","0.003","10.4331","0.0017","21.17","0.003","90","","90","","90","","3949.1","1.1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H17 As N2 O8 S Zn -","- C16 H17 As N2 O8 S Zn -","- C128 H136 As8 N16 O64 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0376","0.033","","","0.0586","0.0609","","","","","","1.044","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205343","12.648","0.006","8.181","0.004","37.325","0.017","90","","94.225","0.007","90","","3852","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 As N2 O7 S Zn -","- C18 H15 As N2 O7 S Zn -","- C144 H120 As8 N16 O56 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1046","0.0692","","","0.1291","0.1497","","","","","","0.903","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205344","17.8507","0.0007","21.4219","0.0007","9.0526","0.0005","90","","108.98","0.02","90","","3273.5","0.5","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 N2 P2 Pt -","- C40 H32 N2 P2 Pt -","- C160 H128 N8 P8 Pt4 -","4","1","","Li, Xing; Zha, Mei-Qin; Gao, Shui-Ying; Low, Paul J.; Wu, Yuan-Zhao; Gan, Ning; Cao, Rong","Synthesis, photoluminescence, catalysis and multilayer film assembly of an ethynylpyridine platinum compound","CrystEngComm","2011","13","3","920","","10.1039/c0ce00382d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205345","11.29","0.003","12.609","0.004","10.281","0.003","90","","107.231","0.006","90","","1397.9","0.7","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H34 Co N4 O8 -","- C25 H34 Co N4 O8 -","- C50 H68 Co2 N8 O16 -","2","1","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0575","0.0415","","","0.1058","0.1337","","","","","","1.1","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205346","18.105","0.006","15.467","0.005","10.115","0.003","90","","97.76","0.005","90","","2806.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 N4 O8 Zn -","- C25 H35 N4 O8 Zn -","- C100 H140 N16 O32 Zn4 -","4","0.5","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0528","0.0453","","","0.1339","0.1484","","","","","","1.098","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205347","7.119","0.002","12.53","0.003","41.52","0.005","90","","90","","90","","3703.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","","- C34 H51 N5 O17 -","- C34 H51 N5 O17 -","- C136 H204 N20 O68 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.1033","0.0621","","","0.1289","0.1462","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205348","7.979","0.002","19.404","0.003","22.853","0.004","90","","90","","90","","3538.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","","- C36 H46.45 N5 O12.73 -","- C36 H46.454 N5 O12.727 -","- C144 H185.816 N20 O50.908 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0655","0.0462","","","0.0921","0.097","","","","","","1.078","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205349","7.605","0.002","21.238","0.005","23.666","0.005","90","","90","","90","","3822.4","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","","- C37 H49 N5 O13 -","- C37 H49 N5 O13 -","- C148 H196 N20 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0845","0.0711","","","0.154","0.1599","","","","","","1.197","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205350","9.406","0.0019","9.986","0.002","74.231","0.015","88.87","0.03","89.52","0.03","90.14","0.03","6971","2","300","2","300","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.3225","0.0731","","","0.1519","0.1723","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205351","9.742","0.0014","9.742","0.0014","74.419","0.015","90","","90","","90","","7063","2","343","2","343","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_ tetrabromocobaltate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","0.25","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.2886","0.0546","","","0.0846","0.0978","","","","","","0.975","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205352","9.1131","0.0018","25.5","0.005","14.645","0.003","90","","98.376","0.002","90","","3367","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methoxy-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methoxy-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate","","- C34 H39 F3 N2 O5 S Se2 -","- C34 H39 F3 N2 O5 S Se2 -","- C136 H156 F12 N8 O20 S4 Se8 -","4","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.7848","synchrotron","","0.1123","0.0612","","","0.1412","0.1683","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205353","11.0233","0.0011","9.7399","0.0009","13.1575","0.0013","90","","98.227","0.005","90","","1398.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-((3-hexylbenzoselenazol-3-ium-2-yl)methylidene)-2-((3-hexyl- 3H-benzoselenazol-2-ylidene)methyl)-3-oxocyclobut-1-en-1-olate","4-[(3-hexylbenzoselenazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-3H- benzoselenazol-2-ylidene)methyl]-3-oxocyclobut-1-en-1-olate","","- C32 H36 N2 O2 Se2 -","- C32 H36 N2 O2 Se2 -","- C64 H72 N4 O4 Se4 -","2","0.5","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.1378","0.094","","","0.1974","0.2171","","","","","","1.159","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205354","12.8136","0.0003","13.1269","0.0004","13.1817","0.0004","109.022","0.001","98.479","0.002","116.888","0.001","1751.49","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methylamino-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate hydrate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methylamino-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate hydrate","","- C34 H42 F3 N3 O5 S Se2 -","- C34 H42 F3 N3 O5 S Se2 -","- C68 H84 F6 N6 O10 S2 Se4 -","2","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.074","0.0524","","","0.0998","0.1124","","","","","","1.063","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205355","23.4215","0.0009","13.4127","0.0003","25.2899","0.0009","90","","112.482","0.001","90","","7340.9","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-(2-Diethylamino-3-hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2- ylidenemethyl)-4-oxocyclobut-2-enylidenemethyl)-3-hexylbenzoselenazol-3- ium trifluoromethanesulfonate","2-[2-Diethylamino-3-hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-4- oxocyclobut-2-enylidenemethyl]-3-hexylbenzoselenazol-3-ium trifluoromethanesulfonate","","- C37 H46 F3 N3 O4 S Se2 -","- C37 H46 F3 N3 O4 S Se2 -","- C296 H368 F24 N24 O32 S8 Se16 -","8","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.0955","0.0501","","","0.096","0.1127","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205356","18.5317","0.0008","16.6605","0.0006","22.9353","0.0007","90","","94.289","0.003","90","","7061.4","0.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C192 H128 Cd8 N16 O48 S8 -","8","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.0587","0.0459","","","0.1147","0.1175","","","","","","1.004","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205357","13.961","0.0007","22.649","0.002","19.601","0.003","90","","101.374","0.009","90","","6076.2","1.1","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 N2 O12 S2 Zn2 -","- C38 H20 N2 O12 S2 Zn2 -","- C152 H80 N8 O48 S8 Zn8 -","4","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.1325","0.0661","","","0.1138","0.1187","","","","","","0.979","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205358","10.1389","0.0007","22.0518","0.0012","14.1837","0.0009","90","","90","","90","","3171.2","0.3","180","2","180","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C24 H20 N4 O6 S Zn -","- C24 H20 N4 O6 S Zn -","- C96 H80 N16 O24 S4 Zn4 -","4","0.5","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0755","0.0523","","","0.1463","0.1522","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205359","7.2086","0.0004","12.3243","0.0007","13.8591","0.0009","110.122","0.005","97.975","0.005","92.728","0.004","1138.89","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Co N2 O6 S -","- C24 H14 Co N2 O6 S -","- C48 H28 Co2 N4 O12 S2 -","2","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0566","0.0405","","","0.0875","0.0906","","","","","","0.996","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205360","9.799","0.002","11.272","0.003","15.935","0.004","70.517","0.004","84.668","0.004","71.046","0.004","1569.1","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 La N O10 -","- C32 H29 La N O10 -","- C64 H58 La2 N2 O20 -","2","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0895","0.0726","","","0.1882","0.1954","","","","","","1.06","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205361","9.7792","0.0013","11.3331","0.0014","15.924","0.002","71.042","0.002","85.29","0.002","70.907","0.002","1576.7","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","1","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0445","0.0401","","","0.1021","0.1054","","","","","","1.041","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205362","13.3271","0.0008","10.2322","0.0006","8.0646","0.0005","90","","90","","90","","1099.73","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0165","0.0156","","","0.042","0.0426","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205363","11.5428","0.0009","6.9491","0.0005","10.38","0.0008","90","","116.321","0.001","90","","746.28","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C12 H16 Br4 Cd4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0266","0.0231","","","0.0595","0.061","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205364","6.9989","0.0008","10.3114","0.0012","12.9438","0.0012","90","","118.441","0.005","90","","821.39","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cd I N3 S -","- C3 H4 Cd I N3 S -","- C12 H16 Cd4 I4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0265","0.0232","","","0.061","0.0626","","","","","","1.083","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205365","10.8254","0.0005","7.8337","0.0003","17.8083","0.0008","90","","90","","90","","1510.2","0.11","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C24 H32 Br8 Cd8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0261","0.0217","","","0.0522","0.054","","","","","","1.046","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205366","10.813","0.002","7.6106","0.0016","17.77","0.004","90","","90","","90","","1462.4","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Cd Cl N3 S -","- C3 H4 Cd Cl N3 S -","- C24 H32 Cd8 Cl8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0269","0.0214","","","0.0492","0.0519","","","","","","1.005","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205367","6.8059","0.0004","9.6914","0.0005","9.7577","0.0005","90.57","0.001","109.664","0.001","94.798","0.001","603.45","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","1","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0206","0.0193","","","0.0509","0.0516","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205368","16.783","0.002","7.5603","0.0011","12.1864","0.0017","90","","100.689","0.008","90","","1519.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-ferrocenyl-6-methoxy-benzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C76 H64 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.0565","0.0363","","","0.085","0.0942","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205369","7.549","0.001","9.734","0.0013","11.35","0.0016","96.452","0.008","103.358","0.007","110.027","0.007","745.47","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","3-ferrocenyl-4-methoxybenzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C38 H32 Fe2 O2 S2 -","2","2","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.036","0.0333","","","0.0782","0.0903","","","","","","1.072","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205370","12.6961","0.0017","6.0031","0.0008","24.66","0.003","90","","102.74","0.002","90","","1833.2","0.4","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.1327","0.0985","","","0.2326","0.251","","","","","","1.096","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205371","12.6246","0.0013","6.0584","0.0006","21.936","0.002","90","","96.467","0.002","90","","1667.1","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.076","0.0644","","","0.1902","0.1982","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205372","7.6688","0.0003","15.188","0.0006","11.8332","0.0005","90","","101.347","0.0011","90","","1351.32","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-(dimethylamino)styryl)-1-(2,5-dimethylbenzyl)pyridinium 4-methylbenzenesulfonate","","- C31 H34 N2 O3 S -","- C31 H34 N2 O3 S -","- C62 H68 N4 O6 S2 -","2","1","","Kim, Pil-Joo; Jeong, Jae-Hyeok; Jazbinsek, Mojca; Kwon, Seong-Ji; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Baek, In-Hyung; Rotermund, Fabian; Günter, Peter; Kwon, O-Pil","Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state","CrystEngComm","2011","13","2","444","","10.1039/c0ce00456a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0823","0.0969","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205373","30.632","0.0013","13.6735","0.0015","14.9266","0.0016","90","","95.758","0.002","90","","6220.4","1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Co N4 O6 S -","- C27 H24 Co N4 O6 S -","- C216 H192 Co8 N32 O48 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0801","0.0536","","","0.105","0.1096","","","","","","0.999","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205374","31.561","0.003","11.4596","0.001","14.619","0.0013","90","","96.115","0.001","90","","5257.3","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Co N4 O5 S -","- C25 H20 Co N4 O5 S -","- C200 H160 Co8 N32 O40 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0726","0.0496","","","0.0897","0.093","","","","","","0.988","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205375","19.3767","0.0003","23.1849","0.0007","13.7787","0.0003","90","","126.742","0.0013","90","","4960.3","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 N6 O13 -","- C53 H54 N6 O13 -","- C212 H216 N24 O52 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.1289","0.0742","","","0.14","0.1599","","","","","","1.036","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205376","7.9466","0.0002","8.6064","0.0002","14.9515","0.0004","79.1115","0.0011","76.3526","0.001","62.5022","0.001","877.63","0.04","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O11 -","- C18 H16 O11 -","- C36 H32 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0841","0.0519","","","0.125","0.1418","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205377","8.8934","0.0002","8.9328","0.0002","12.6735","0.0003","81.2596","0.0011","69.6581","0.0011","60.9613","0.001","825.19","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 La O11 -","- C17 H11 La O11 -","- C34 H22 La2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0841","0.0883","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205378","8.8277","0.0001","8.8751","0.0002","12.6582","0.0003","81.0037","0.0008","69.8251","0.0009","61.2379","0.0018","815.98","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 Nd O11 -","- C17 H11 Nd O11 -","- C34 H22 Nd2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0418","0.035","","","0.0817","0.0851","","","","","","1.064","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205379","9.9205","0.0002","10.6776","0.0003","11.7567","0.0004","96.6635","0.0012","108.338","0.0013","106.837","0.0015","1101.63","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 O17 Sm -","- C17 H23 O17 Sm -","- C34 H46 O34 Sm2 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0319","0.0285","","","0.0644","0.066","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205380","14.8023","0.0006","20.1819","0.0006","7.1981","0.0002","90","","103.297","0.0014","90","","2092.7","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Dy O15 -","- C17 H19 Dy O15 -","- C68 H76 Dy4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0684","0.052","","","0.0955","0.1006","","","","","","1.157","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205381","14.8422","0.0003","20.2605","0.0003","7.2273","0.0001","90","","103.63","0.0005","90","","2112.12","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Eu O15 -","- C17 H19 Eu O15 -","- C68 H76 Eu4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0458","0.0329","","","0.0858","0.0953","","","","","","0.913","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205382","8.5147","0.0002","10.2584","0.0002","12.454","0.0005","68.4154","0.001","89.3378","0.0011","72.78","0.002","960.38","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 La O14 -","- C18 H19 La O14 -","- C36 H38 La2 O28 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0495","0.0376","","","0.0837","0.0899","","","","","","0.928","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205383","8.5679","0.0003","9.9939","0.0003","12.5472","0.0005","91.596","0.0015","94.8827","0.0014","93.4052","0.0016","1068","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0635","0.0484","","","0.1215","0.1294","","","","","","1.016","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205384","8.5589","0.0002","9.9686","0.0003","12.524","0.0004","91.3986","0.0013","94.9577","0.0012","93.4852","0.0011","1062.11","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0533","0.0402","","","0.1016","0.1097","","","","","","0.904","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205385","8.0901","0.0003","10.1509","0.0004","14.6134","0.0007","82.8401","0.0018","88.141","0.002","66.521","0.003","1091.94","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 Ce O13 -","- C18 H17 Ce O13 -","- C36 H34 Ce2 O26 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0577","0.0426","","","0.0887","0.0931","","","","","","1.001","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205386","9.6328","0.0008","23.4438","0.0019","6.8997","0.0006","90","","98.826","0.001","90","","1539.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cu3 N5 -","- C15 H8 Cu3 N5 -","- C60 H32 Cu12 N20 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0569","0.035","","","0.0822","0.0899","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205387","8.5451","0.0003","11.6761","0.0004","12.5593","0.0005","90","","100.911","0.001","90","","1230.43","0.08","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu2 N4 -","- C12 H8 Cu2 N4 -","- C48 H32 Cu8 N16 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0346","0.0292","","","0.0805","0.084","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205388","7.429","0.0003","14.1167","0.0006","16.1356","0.0007","68.734","0.001","80.866","0.001","81.606","0.001","1549.76","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cu4 N8 -","- C30 H28 Cu4 N8 -","- C60 H56 Cu8 N16 -","2","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0653","0.0375","","","0.0891","0.1008","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205389","7.2594","0.0012","9.3403","0.0016","11.835","0.002","71.216","0.002","76.045","0.002","70.261","0.002","707.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0344","0.0295","","","0.0709","0.0734","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205390","8.395","0.0012","9.5035","0.0013","10.2058","0.0014","71.53","0.002","84.594","0.002","72.106","0.002","734.93","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0526","0.0396","","","0.0915","0.0985","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205391","9.8594","0.0017","11.0993","0.0018","13.426","0.002","90","","93.789","0.002","90","","1466","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C40 H60 N36 Zn4 -","4","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0635","0.049","","","0.1268","0.1393","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205392","11.5834","0.0005","12.1886","0.0006","12.8749","0.0006","68.52","0.004","69.688","0.004","71.439","0.004","1547.77","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","1","0.5","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.1104","0.0572","","","0.1287","0.1484","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205393","29.9029","0.0008","29.9029","0.0008","6.6248","0.0003","90","","90","","90","","5923.8","0.3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H12 Mn N2 O2 -","- C18 H12 Mn N2 O2 -","- C288 H192 Mn16 N32 O32 -","16","1","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.0956","0.0363","","","0.0381","0.0416","","","","","","0.838","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205394","15.678","0.003","9.197","0.0019","9.414","0.002","90","","90","","90","","1357.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H6 Co O8 -","- C16 H6 Co O8 -","- C64 H24 Co4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0447","0.0339","","","0.0807","0.0841","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205395","15.764","0.003","9.1079","0.0015","9.7436","0.0015","90","","90","","90","","1399","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Mn O8 -","- C16 H8 Mn O8 -","- C64 H32 Mn4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0812","0.0547","","","0.0961","0.1048","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205396","10.642","0.002","10.768","0.002","14.943","0.003","90","","91.763","0.002","90","","1711.6","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H13 Cd N2 O5 -","- C20 H13 Cd N2 O5 -","- C80 H52 Cd4 N8 O20 -","4","1","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0385","0.0311","","","0.0601","0.0618","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205397","14.432","0.005","22.089","0.008","11.142","0.004","90","","90.807","0.006","90","","3552","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 Eu2 N2 O14 -","- C30 H23 Cl3 Eu2 N2 O14 -","- C120 H92 Cl12 Eu8 N8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0733","0.0683","","","0.2067","0.2122","","","","","","1.171","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205398","14.367","0.004","22.032","0.006","11.119","0.003","90","","90.843","0.005","90","","3519.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 Nd2 O14 -","- C30 H23 Cl3 N2 Nd2 O14 -","- C120 H92 Cl12 N8 Nd8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0474","0.0447","","","0.1184","0.1205","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205399","14.24","0.0014","21.831","0.002","11.0019","0.0011","90","","91.119","0.002","90","","3419.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 O14 Pr2 -","- C30 H23 Cl3 N2 O14 Pr2 -","- C120 H92 Cl12 N8 O56 Pr8 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0464","0.0444","","","0.1252","0.1271","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205400","11.552","0.001","8.0069","0.0007","5.8733","0.0004","90","","90","","90","","543.26","0.08","220","0.1","220","0.1","100","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0432","0.0329","","","0.0837","0.0866","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205401","11.266","0.002","7.748","0.008","5.7183","0.0012","90","","90","","90","","499.1","0.5","295","2","295","2","750000","","750000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0628","0.0586","","","0.113","0.1141","","","","","","1.256","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205402","11.0912","0.0019","7.588","0.007","5.6253","0.001","90","","90","","90","","473.4","0.5","295","2","295","2","1150000","","1150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0516","0.0475","","","0.1314","0.1386","","","","","","1.223","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205403","10.914","0.002","7.414","0.006","5.535","0.001","90","","90","","90","","447.9","0.4","295","2","295","2","2150000","","2150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0595","0.0576","","","0.1222","0.1248","","","","","","1.136","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205404","7.161","0.002","22.009","0.004","10.675","0.003","90","","102.56","0.03","90","","1642.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Cu2 N4 O15 -","- C28 H36 Cu2 N4 O15 -","- C56 H72 Cu4 N8 O30 -","2","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0646","0.0387","","","0.0844","0.0926","","","","","","0.894","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205405","6.7063","0.0002","15.3526","0.0004","20.2188","0.0005","90","","90","","90","","2081.71","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cu N2 O12 -","- C16 H24 Cu N2 O12 -","- C64 H96 Cu4 N8 O48 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0627","0.0622","","","0.155","0.1554","","","","","","1.25","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205406","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0295","0.0281","","","0.0724","0.0746","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205407","17.0525","0.0006","8.4867","0.0003","22.6931","0.0008","90","","111.708","0.002","90","","3051.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu2 N4 O14 S2 -","- C25 H28 Cu2 N4 O14 S2 -","- C100 H112 Cu8 N16 O56 S8 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0612","0.0597","","","0.1615","0.163","","","","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205408","13.661","0.003","16.064","0.003","15.037","0.003","90","","108.25","0.03","90","","3133.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Cl4 Cu4 N17 O0 -","- C48 H67 Cl4 Cu4 N17 -","- C96 H134 Cl8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.1171","0.0679","","","0.172","0.2011","","","","","","1.01","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205409","14.01","0.003","16.294","0.003","14.793","0.003","90","","106.91","0.03","90","","3230.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Br4 Cu4 N17 O0 -","- C48 H67 Br4 Cu4 N17 -","- C96 H134 Br8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0667","0.0412","","","0.1202","0.1308","","","","","","1.099","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205410","11.399","0.002","18.994","0.004","14.784","0.003","90","","94.84","0.03","90","","3189.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H3 Cu2 I2 N9 O0 -","- C25 H3 Cu2 I2 N9 -","- C100 H12 Cu8 I8 N36 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0687","0.0501","","","0.1292","0.1426","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205411","18.747","0.004","8.055","0.0016","20.321","0.004","90","","108.67","0.03","90","","2907.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cu2 N10 S2 -","- C25 H32 Cu2 N10 S2 -","- C100 H128 Cu8 N40 S8 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0566","0.045","","","0.1096","0.117","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205412","11.738","0.002","7.8457","0.0016","15.623","0.003","90","","97.05","0.03","90","","1427.9","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H32 Cu3 N12 -","- C25 H32 Cu3 N12 -","- C50 H64 Cu6 N24 -","2","0.5","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0456","0.0372","","","0.1047","0.1108","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205413","21.2366","0.0019","16.6665","0.0019","20.151","0.002","90","","105.735","0.002","90","","6865","1.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H116 Cu4 Ge2 Mo3.5 N12 O106 W20.5 -","- C36 Cu4 Ge2 Mo3.48 N12 O104 W20.52 -","- C72 Cu8 Ge4 Mo6.96 N24 O208 W41.04 -","2","0.25","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.1023","0.0876","","","0.18","0.1864","","","","","","1.078","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205414","12.5854","0.001","12.7542","0.001","21.544","0.0017","78.741","0.001","75.222","0.001","61.183","0.001","2919","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H88 Cu Ge2 K6 Mo4 N12 O92 W20 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","1","0.5","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.0693","0.0445","","","0.0983","0.1104","","","","","","1","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205415","20.4711","0.0017","20.4711","0.0017","9.5827","0.0014","90","","90","","120","","3477.8","0.7","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C162 H198 N6 O18 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0748","0.0547","","","0.122","0.1295","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205416","12.5863","0.0001","12.5863","0.0001","28.7108","0.0005","90","","90","","120","","3938.87","0.08","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C162 H204 Cl6 N6 O42 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0449","0.0326","","","0.0848","0.0906","","","","","","0.956","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205417","10.5293","0.0002","10.721","0.0001","13.2388","0.0002","98.567","0.0012","109.224","0.001","97.028","0.0011","1371.67","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C54 H68 Cl2 N2 O14 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0914","0.0795","","","0.1937","0.2108","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205418","13.5714","0.0002","14.9166","0.0002","15.3649","0.0003","93.257","0.0011","96.049","0.001","116.25","0.0011","2755.44","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C108 H136 Cl4 N4 O28 -","4","2","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0938","0.0654","","","0.199","0.232","","","","","","1.065","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205419","43.2178","0.0012","7.605","0.0002","17.6312","0.0004","90","","105.385","0.003","90","","5587.2","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Br N O5 -","- C27 H38 Br N O5 -","- C216 H304 Br8 N8 O40 -","8","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.1051","0.0352","","","0.0861","0.1094","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205420","10.0888","0.0003","12.3654","0.0004","13.7716","0.0004","81.26","0.002","76.965","0.002","83.641","0.001","1649.1","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C66 H72 N8 O20 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0958","0.0529","","","0.1454","0.1646","","","","","","0.924","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205421","9.89","0.002","28.388","0.006","11.602","0.003","90","","92.896","0.009","90","","3253.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C132 H144 N16 O40 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.176","0.0551","","","0.1256","0.1537","","","","","","0.98","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205422","13.4682","0.0013","13.6433","0.0013","20.291","0.002","90","","104.935","0.003","90","","3602.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O11 -","- C37 H39 N O11 -","- C148 H156 N4 O44 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0982","0.0615","","","0.1328","0.1611","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205423","7.5092","0.0016","10.629","0.002","13.198","0.003","93.501","0.004","98.322","0.003","108.989","0.004","979","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cd N4 O7 -","- C21 H14 Cd N4 O7 -","- C42 H28 Cd2 N8 O14 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0292","0.0282","","","0.0724","0.073","","","","","","1.09","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205424","9.22","0.0018","18.831","0.004","10.75","0.002","90","","104.087","0.002","90","","1810.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cd2 N8 O13 -","- C34 H22 Cd2 N8 O13 -","- C68 H44 Cd4 N16 O26 -","2","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0362","0.0299","","","0.0773","0.0794","","","","","","1.181","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205425","6.059","0.004","17.373","0.012","14.478","0.01","90","","90","0.001","90","","1524","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N4 O4 -","- C17 H11 Cd N4 O4 -","- C68 H44 Cd4 N16 O16 -","4","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0767","0.0787","","","","","","1.015","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205426","8.254","0.003","9.984","0.005","13.965","0.005","78.013","0.013","87.68","0.04","69.43","0.02","1053.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","1","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0376","0.0332","","","0.0893","0.0926","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205427","10.5555","0.0007","10.755","0.001","10.9889","0.0008","70.527","0.01","81.613","0.002","85.343","0.001","1162.86","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N4 O10 -","- C22 H16 Cd2 N4 O10 -","- C44 H32 Cd4 N8 O20 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0309","0.027","","","0.0687","0.0706","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205428","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0508","0.0397","","","0.105","0.1128","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205429","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","neutron","0.7","Neutron","","0.0416","0.0318","","","0.0586","0.0619","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205430","14.2326","0.0014","4.0156","0.0005","13.8877","0.0012","90","","98.5","0.009","90","","785","0.14","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(4-fluorophenylcarbonate)","","- C18 H12 F2 O6 -","- C18 H12 F2 O6 -","- C36 H24 F4 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0864","0.0899","","","","","","1.053","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205431","6.8592","0.0005","4.8508","0.0003","27.201","0.002","90","","102.247","0.006","90","","884.45","0.11","150","1","150","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbamate)","","- C18 H6 F10 N2 O4 -","- C18 H6 F10 N2 O4 -","- C36 H12 F20 N4 O8 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.054","0.0344","","","0.0805","0.0842","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205432","5.8951","0.0009","10.1943","0.0016","17.245","0.002","90","","108.115","0.005","90","","985","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C20 H4 F10 O6 -","- C20 H4 F10 O6 -","- C40 H8 F20 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.114","0.12","","","","","","1.152","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205433","6.6399","0.0013","9.959","0.002","14.116","0.003","79.8","0.03","87.28","0.03","84.3","0.03","913.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Ag N4 O4 -","- C20 H13 Ag N4 O4 -","- C40 H26 Ag2 N8 O8 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0264","0.0245","","","0.0601","0.0613","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205434","7.8033","0.0016","12.222","0.002","14.569","0.003","108.39","0.03","99.67","0.03","95.65","0.03","1282.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","1","0.5","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.1087","0.0885","","","0.2239","0.2584","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205435","33.834","0.007","6.0198","0.0012","14.566","0.003","90","","109.49","0.03","90","","2796.7","1.1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H18 Ag4 N4 O9 -","- C28 H18 Ag4 N4 O9 -","- C112 H72 Ag16 N16 O36 -","4","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0179","0.0173","","","0.0408","0.0424","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205436","9.906","0.002","11.06","0.002","11.52","0.002","69.44","0.03","70.84","0.03","87.16","0.03","1113.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Ag2 N4 O9 -","- C20 H22 Ag2 N4 O9 -","- C40 H44 Ag4 N8 O18 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0451","0.0388","","","0.1033","0.1072","","","","","","1.094","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205437","5.113","0.005","15.131","0.005","15.413","0.005","108.414","0.005","94.125","0.005","96.846","0.005","1115.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","1","0.5","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","0.71073","MoKα","","0.1998","0.107","","","0.2886","0.339","","","","","","0.979","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205438","4.8813","0.0011","10.601","0.002","18.823","0.004","96.91","0.004","91.332","0.004","98.65","0.004","955.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F3 N4 O3 S -","- C20 H15 F3 N4 O3 S -","- C40 H30 F6 N8 O6 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.0651","0.0484","","","0.1159","0.1261","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205439","4.6294","0.0001","11.297","0.0003","24.1522","0.0007","89.9","0.002","86.295","0.001","81.042","0.002","1245.06","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 N4 O6 S -","- C25 H21 F3 N4 O6 S -","- C50 H42 F6 N8 O12 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","1.54178","CuKα","","0.0748","0.0585","","","0.1162","0.1256","","","","","","1.046","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205440","10.0502","0.0002","5.6882","0.0002","19.3565","0.0004","90","","97.058","0.002","90","","1098.18","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N4 O5 S -","- C22 H17 F3 N4 O5 S -","- C44 H34 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0419","0.038","","","0.0927","0.0954","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205441","30.9755","0.0004","6.7922","0.0001","41.2428","0.0004","90","","94.597","0.001","90","","8649.23","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15.5 F3 N4 O3.75 S -","- C21 H15.5 F3 N4 O3.75 S -","- C336 H248 F48 N64 O60 S16 -","16","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0861","0.0698","","","0.1821","0.1923","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205442","4.7288","0.0011","9.1387","0.0019","30.731","0.006","93.847","0.014","94.068","0.015","98.881","0.014","1304.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 F3 N4 O5 S -","- C26 H24 F3 N4 O5 S -","- C52 H48 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.19","0.1015","","","0.2674","0.334","","","","","","1.016","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205443","4.8341","0.0001","20.1082","0.0005","27.8986","0.0009","76.114","0.001","88.138","0.002","88.318","0.001","2630.59","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 F3 N4 O5 S -","- C26 H25 F3 N4 O5 S -","- C104 H100 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0602","0.0481","","","0.1243","0.1323","","","","","","1.104","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205444","4.2653","0.0001","10.5529","0.0004","26.0208","0.0007","79.685","0.003","86.626","0.003","85.887","0.003","1148.07","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C46 H38 F6 N8 O10 S2 -","2","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0685","0.0594","","","0.1481","0.1544","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205445","19.0132","0.0004","4.519","0.0001","26.8556","0.0004","90","","98.814","0.001","90","","2280.2","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C92 H76 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.091","0.0651","","","0.1546","0.1712","","","","","","1.034","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205446","9.396","0.006","13.535","0.008","17.036","0.01","104.757","0.008","91.076","0.007","90.354","0.008","2095","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H29 F6 N8 O8 S2 -","- C44 H29 F6 N8 O8 S2 -","- C88 H58 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.2087","0.1016","","","0.2283","0.2929","","","","","","0.986","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205447","11.3294","0.0002","13.7454","0.0003","15.9536","0.0004","112.029","0.001","90.006","0.002","112.28","0.001","2101.56","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 F6 N8 O8 S2 -","- C44 H32 F6 N8 O8 S2 -","- C88 H64 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0637","0.0472","","","0.1204","0.1309","","","","","","1.023","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7205448","14.506","0.005","6.418","0.002","16.25","0.005","90","","109.421","0.004","90","","1426.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Ag3 N7 -","- C9 H12 Ag3 N7 -","- C36 H48 Ag12 N28 -","4","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0361","0.0311","","","0.074","0.0761","","","","","","0.984","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205449","7.252","0.004","11.319","0.007","15.859","0.009","80.714","0.007","85.325","0.007","78.239","0.007","1256.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","1","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.06","0.049","","","0.1406","0.147","","","","","","1.054","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205450","21.816","0.009","21.816","0.009","6.881","0.004","90","","90","","90","","3275","3","293","2","293","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C16 H27 Ag6 Cl N12 O2 -","- C16 H24 Ag6 Cl N12 O2 -","- C64 H96 Ag24 Cl4 N48 O8 -","4","0.125","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0479","0.038","","","0.0982","0.1026","","","","","","1.14","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205451","9.287","0.003","7.0017","0.0019","13.168","0.004","90","","91.941","0.004","90","","855.8","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0354","0.0292","","","0.0772","0.0974","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205452","9.291","0.005","7.006","0.003","13.182","0.006","90","","91.935","0.007","90","","857.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0425","0.0336","","","0.0854","0.1136","","","","","","0.962","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205453","13.785","0.003","15.175","0.003","19.161","0.004","86.08","0.03","71.73","0.03","73.39","0.03","3646.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H64 N9 O23 Yb3 -","- C63 H49 N9 O23 Yb3 -","- C126 H98 N18 O46 Yb6 -","2","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.2273","0.0897","","","0.1896","0.2474","","","","","","0.988","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205454","14.504","0.003","23.595","0.007","18.676","0.007","90","","124.2","0.04","90","","5286","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H47 N6 O7.5 Yb2 -","- C61 H47 N6 O7.5 Yb2 -","- C244 H188 N24 O30 Yb8 -","4","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.0808","0.0519","","","0.0998","0.1111","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205455","27.772","0.016","15.198","0.009","15.174","0.009","90","","104.897","0.013","90","","6189","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Co3 N6 O12 -","- C72 H54 Co3 N6 O12 -","- C288 H216 Co12 N24 O48 -","4","0.5","","Luo, Feng; Zou, Jin; Ning, Yang; Wang, Yong; Feng, Xue-Feng; Yan, Gui-le; Wei, Fan-shu; Luo, Wen-wu; Xu, Wen-yuan; Huang, Guo-lin","New topology observed in highly rare interlaced triple-stranded molecular braid","CrystEngComm","2011","13","2","421","","10.1039/c0ce00564a","","","0.71073","MoKα","","0.1165","0.0682","","","0.1695","0.1963","","","","","","1.039","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205456","13.483","0.003","13.994","0.003","17.054","0.003","69.26","0.03","82.67","0.03","89.13","0.03","2983.1","1.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N4 O14 Zn4 -","- C70 H58 N4 O14 Zn4 -","- C140 H116 N8 O28 Zn8 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0565","0.0473","","","0.0998","0.1049","","","","","","1.096","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205457","9.5105","0.0019","9.829","0.002","14.496","0.003","106.93","0.03","97.29","0.03","102.26","0.03","1240.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O4 Zn -","- C30 H24 N2 O4 Zn -","- C60 H48 N4 O8 Zn2 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0492","0.0373","","","0.083","0.0879","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205458","25.029","0.005","5.8653","0.0012","20.98","0.004","90","","92.38","0.03","90","","3077.3","1.1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 O6 Zn -","- C30 H28 N2 O6 Zn -","- C120 H112 N8 O24 Zn4 -","4","0.5","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0726","0.0624","","","0.1782","0.1897","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205459","14.4305","0.0015","9.9821","0.0009","25.489","0.002","90","","90.917","0.001","90","","3671.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd2 I4 N12 -","- C28 H24 Cd2 I4 N12 -","- C112 H96 Cd8 I16 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1141","0.0908","","","0.1886","0.2025","","","","","","1.158","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205460","18.1301","0.0019","8.2353","0.0007","24.658","0.002","90","","101.996","0.002","90","","3601.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Br6 Cd3 N12 -","- C28 H24 Br6 Cd3 N12 -","- C112 H96 Br24 Cd12 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0512","0.0355","","","0.0908","0.0959","","","","","","1.03","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205461","25.887","0.002","6.751","0.001","25.753","0.002","90","","104.269","0.002","90","","4361.8","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd5 Cl10 N12 -","- C28 H24 Cd5 Cl10 N12 -","- C112 H96 Cd20 Cl40 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0978","0.0593","","","0.1487","0.1871","","","","","","1.121","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205462","9.9448","0.0011","23.481","0.003","9.1979","0.0012","90","","112.179","0.001","90","","1988.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd I2 N6 -","- C15 H14 Cd I2 N6 -","- C60 H56 Cd4 I8 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0526","0.0342","","","0.0649","0.0729","","","","","","1.071","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205463","10.5203","0.0009","23.232","0.003","8.5244","0.0007","90","","111.578","0.001","90","","1937.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 Cd N6 -","- C16 H16 Br2 Cd N6 -","- C64 H64 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0454","0.0347","","","0.0757","0.079","","","","","","1.11","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205464","10.2326","0.0011","12.402","0.0017","16.713","0.002","90","","91.978","0.001","90","","2119.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br2 Cd N6 -","- C18 H20 Br2 Cd N6 -","- C72 H80 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0409","0.0263","","","0.0572","0.0618","","","","","","1.017","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205465","16.8129","0.0018","57.479","0.004","9.5157","0.0013","90","","98.392","0.001","90","","9097.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H80 Cd4 I8 N24 -","- C72 H80 Cd4 I8 N24 -","- C288 H320 Cd16 I32 N96 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1302","0.0615","","","0.1389","0.178","","","","","","1.044","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205466","6.7587","0.0002","19.4871","0.0008","31.012","0.0011","90","","90","","90","","4084.5","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C192 H144 O16 S16 -","8","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0944","0.0555","","","0.1529","0.1771","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205467","16.3268","0.0005","22.014","0.0008","5.3481","0.0001","90","","90","","90","","1922.2","0.1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C96 H72 O8 S8 -","4","0.5","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.178","0.0807","","","0.2293","0.2911","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205468","4.5694","0.0004","23.812","0.002","11.7744","0.0009","90","","99.299","0.006","90","","1264.3","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C64 H40 O8 S4 -","4","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0887","0.0528","","","0.1389","0.1661","","","","","","0.969","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205469","7.7573","0.0009","8.3355","0.0008","10.1969","0.0011","75.158","0.007","89.963","0.007","86.091","0.007","635.76","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C32 H20 O4 S2 -","2","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0491","0.0402","","","0.1327","0.1467","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205470","10.0492","0.0005","10.7503","0.0004","11.8342","0.0005","85.893","0.002","77.451","0.0019","66.043","0.002","1140.22","0.09","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 B N6 O -","- C30 H17 B N6 O -","- C60 H34 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.079","0.0519","","","0.1262","0.1448","","","","","","1.055","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205471","10.1555","0.0003","10.9258","0.0004","11.7215","0.0004","86.353","0.0017","78.496","0.002","66.987","0.0018","1172.88","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 B N6 O -","- C31 H19 B N6 O -","- C62 H38 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.0651","0.0465","","","0.1138","0.1264","","","","","","1.058","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205472","8.5535","0.0002","12.7466","0.0004","13.2395","0.0004","79.9663","0.0014","78.2792","0.0016","70.9358","0.0017","1326.75","0.07","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 B N6 O -","- C34 H25 B N6 O -","- C68 H50 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1178","0.0601","","","0.1434","0.1787","","","","","","1.045","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205473","16.453","0.0004","11.9941","0.0002","17.5406","0.0004","90","","108.19","0.0011","90","","3288.46","0.12","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B N6 O -","- C41 H36 B N6 O -","- C164 H144 B4 N24 O4 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1108","0.0562","","","0.1309","0.1595","","","","","","1.051","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205474","10.042","0.0003","10.7558","0.0004","11.7366","0.0004","85.821","0.0018","77.156","0.0019","66.582","0.0019","1133.97","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1005","0.0553","","","0.1262","0.1536","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205475","39.052","0.006","9.8693","0.0013","26.197","0.004","90","","120.12","0.005","90","","8733","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 Ag3 N6 O11 -","- C45 H46 Ag3 N6 O11 -","- C360 H368 Ag24 N48 O88 -","8","1","","Yang, Guo-Ping; Zhou, Jun-Hong; Wang, Yao-Yu; Liu, Ping; Shi, Chun-Cheng; Fu, Ai-Yun; Shi, Qi-Zhen","An unusual 1D ladder-like silver(i) coordination polymer involving novel 1D →3D five-folded interpenetrated and [3 + 2] catenaned features generated by Ag⋯O interactions","CrystEngComm","2011","13","1","33","","10.1039/c0ce00601g","","","0.71073","MoKα","","0.1255","0.0678","","","0.1953","0.2236","","","","","","1.008","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205476","5.9593","0.0012","13.522","0.003","13.599","0.003","114.71","0.03","93.33","0.03","93.88","0.03","988.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ba N3 O7 S -","- C18 H16 Ba N3 O7 S -","- C36 H32 Ba2 N6 O14 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Zhang, Guangju; Sun, Dianzhen; He, Jianghong; Yuan, Ruo; Wang, Enbo","An unprecedented (5,12)-connected 3D self-penetrating metal‒organic framework based on dinuclear barium clusters as building blocks","CrystEngComm","2011","13","2","433","","10.1039/c0ce00622j","","","0.71073","MoKα","","0.0199","0.019","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205477","6.9659","0.0007","29.074","0.003","7.857","0.0008","90","","105.268","0.001","90","","1535.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cd2 N4 O12 -","- C32 H28 Cd2 N4 O12 -","- C64 H56 Cd4 N8 O24 -","2","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.038","0.0367","","","0.1003","0.1015","","","","","","1.111","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205478","10.214","0.0009","10.5245","0.0009","11.245","0.001","90","","97.857","0.001","90","","1197.46","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Co N4 O9 -","- C24 H26 Co N4 O9 -","- C48 H52 Co2 N8 O18 -","2","1","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0399","0.0394","","","0.1061","0.1066","","","","","","1.178","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205479","7.2812","0.001","10.7032","0.0014","10.8333","0.0014","95.672","0.002","103.322","0.002","109.235","0.002","761.52","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","1","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0418","0.0396","","","0.1076","0.1094","","","","","","1.149","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205480","9.5667","0.0001","16.4081","0.0002","16.4469","0.0002","90","","90","","90","","2581.69","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cd2 N4 O12 -","- C20 H28 Cd2 N4 O12 -","- C80 H112 Cd8 N16 O48 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54178","CuKα","","0.0276","0.0241","","","0.0554","0.0567","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205481","9.3702","0.0006","9.3702","0.0006","14.7404","0.0013","90","","90","","90","","1294.22","0.16","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 Co N2 O7 -","- C10 H16 Co N2 O7 -","- C40 H64 Co4 N8 O28 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0228","0.0217","","","0.0552","0.0554","","","","","","1.107","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205482","6.0278","0.0003","12.0022","0.0006","9.2687","0.0004","90","","97.549","0.004","90","","664.75","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 Ni O6 -","- C10 H14 N2 Ni O6 -","- C20 H28 N4 Ni2 O12 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54184","CuKα","","0.0428","0.0388","","","0.1009","0.1039","","","","","","1.104","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205483","9.3479","0.0002","9.3479","0.0002","14.7797","0.0003","90","","90","","90","","1291.5","0.05","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 N2 O7 Zn -","- C10 H16 N2 O7 Zn -","- C40 H64 N8 O28 Zn4 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0348","0.0278","","","0.0441","0.0454","","","","","","0.789","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205484","8.4907","0.0006","9.3897","0.0008","16.0819","0.001","90","","90","","90","","1282.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N2 O5 -","- C11 H14 Cd N2 O5 -","- C44 H56 Cd4 N8 O20 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0427","0.0303","","","0.0526","0.0545","","","","","","0.951","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205485","6.188","0.0001","7.2073","0.0002","8.7257","0.0003","102.042","0.001","104.124","0.001","113.839","0.001","323.824","0.016","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","1","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.017","0.0169","","","0.0431","0.0431","","","","","","1.07","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205486","11.3635","0.0014","14.1791","0.0017","15.1146","0.0018","90","","111.006","0.002","90","","2273.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0575","0.0432","","","0.1118","0.1197","","","","","","1.04","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205487","11.3843","0.0015","14.2937","0.0019","15.125","0.002","90","","111.656","0.003","90","","2287.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32.007 H24.007 O2 -","- C128.028 H96.028 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0712","0.0471","","","0.1191","0.1308","","","","","","1.019","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205488","11.3564","0.0014","14.1618","0.0017","15.1141","0.0018","90","","111.017","0.002","90","","2269","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.058","0.0439","","","0.1108","0.1189","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205489","10.0998","0.0007","12.1043","0.0008","11.8472","0.0008","90","","98.582","0.001","90","","1432.12","0.17","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Bi2 O6 -","- C8 H4 Bi2 O6 -","- C48 H24 Bi12 O36 -","6","1.5","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0328","0.0256","","","0.0585","0.0619","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205490","11.6396","0.0017","11.7565","0.0017","13.0034","0.0019","101.04","0.003","93.708","0.003","114.402","0.002","1569.7","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12.36 Bi4 N3 O22.68 -","- C24 H9 Bi4 N3 O22.68 -","- C48 H18 Bi8 N6 O45.36 -","2","1","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0539","0.0401","","","0.087","0.0929","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205491","14.5579","0.0014","14.5579","0.0014","16.2961","0.0016","90","","90","","90","","3453.7","0.6","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Br Cu H2 I2 O2 Pb2 -","- Br Cu H2 I2 O2 Pb2 -","- Br16 Cu16 H32 I32 O32 Pb32 -","16","0.5","","Hu, Fei; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Ionothermal synthesis of a new (4,12)-connected heterometallic iodoplumbate with [Pb4(OH)4] cubane as joint points of the helices","CrystEngComm","2011","13","2","414","","10.1039/c0ce00651c","","","0.71073","MoKα","","0.0907","0.0727","","","0.1995","0.2178","","","","","","1.067","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205492","18.022","0.004","16.787","0.003","22.439","0.005","90","","104.818","0.002","90","","6563","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PgC4GP","","","- C65 H102 N2 O20 -","- C65 H102 N2 O20 -","- C260 H408 N8 O80 -","4","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.0762","0.0524","","","0.143","0.1619","","","","","","1.032","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205493","12.137","0.005","16.978","0.007","31.818","0.013","92.253","0.006","90.065","0.006","93.959","0.006","6536","5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C129 H200 N4 O37.5 -","- C129 H200 N4 O37.5 -","- C258 H400 N8 O75 -","2","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.1476","0.0914","","","0.2484","0.2927","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205494","29.602","0.008","15.909","0.004","25.228","0.007","90","","97.868","0.004","90","","11769","5","100","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H64 N O27.55 -","- C49 H64 N O27.55 -","- C392 H512 N8 O220.4 -","8","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.7749","","","0.1645","0.1178","","","0.3252","0.3655","","","","","","1.408","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205495","10.2834","0.0002","13.4971","0.0002","19.7289","0.0002","87.661","0.001","79.161","0.001","89.244","0.001","2687.16","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B F24 Mo N3 O3 -","- C54 H32 B F24 Mo N3 O3 -","- C108 H64 B2 F48 Mo2 N6 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0654","0.0508","","","0.1551","0.1695","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205496","9.0225","0.0001","15.1359","0.0001","17.6892","0.0001","90","","90","","90","","2415.7","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Mo N3 O4 -","- C26 H27 Mo N3 O4 -","- C104 H108 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0353","0.0316","","","0.0805","0.0903","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205497","12.4276","0.0002","18.3539","0.0003","25.8077","0.0005","90","","94.526","0.001","90","","5868.25","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 B F24 Mo N3 O4 -","- C58 H40 B F24 Mo N3 O4 -","- C232 H160 B4 F96 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0886","0.0644","","","0.1916","0.2204","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205498","12.7311","0.0003","14.0298","0.0004","35.9014","0.0008","90","","90","","90","","6412.5","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 B F24 Mo N5 O3 -","- C63 H48 B F24 Mo N5 O3 -","- C252 H192 B4 F96 Mo4 N20 O12 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.097","0.0567","","","0.1362","0.1792","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205499","19.3433","0.0004","21.3842","0.0004","16.9253","0.0003","90","","97.644","0.001","90","","6938.8","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C248 H192 B4 Cl16 F96 Mo4 N20 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0944","0.0731","","","0.2106","0.2256","","","","","","1.001","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205500","12.8482","0.0003","12.969","0.0003","18.5662","0.0005","98.097","0.002","108.331","0.002","90.332","0.002","2903.26","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H37 B F24 Mo N4 O3 -","- C59 H37 B F24 Mo N4 O3 -","- C118 H74 B2 F48 Mo2 N8 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0621","0.0564","","","0.1556","0.1606","","","","","","1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205501","12.48","0.005","13.029","0.005","21.067","0.005","83.95","0.005","73.541","0.005","86.462","0.005","3265","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H47 B F24 Mo N4 O4 -","- C60 H47 B F24 Mo N4 O4 -","- C120 H94 B2 F48 Mo2 N8 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0942","0.0772","","","0.2232","0.2397","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205502","12.4659","0.001","13.596","0.001","17.4953","0.0013","85.431","0.006","83.001","0.006","81.125","0.006","2902.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 B F24 Mo N2 O4 -","- C55 H35 B F24 Mo N2 O4 -","- C110 H70 B2 F48 Mo2 N4 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.1194","0.0969","","","0.2376","0.2406","","","","","","1.009","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205503","3.9135","0.0014","7.475","0.003","22.656","0.008","90","","95.447","0.007","90","","659.8","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 S2 -","- C14 H10 N4 S2 -","- C28 H20 N8 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0849","0.0798","","","0.1895","0.1913","","","","","","1.212","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205504","3.8169","0.0014","7.901","0.003","26.283","0.009","90","","96.527","0.006","90","","787.5","0.5","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H10 Ag N5 O3 S2 -","- C14 H10 Ag N5 O3 S2 -","- C28 H20 Ag2 N10 O6 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0729","0.0408","","","0.1006","0.1384","","","","","","1.018","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205505","13.731","0.004","8.046","0.003","15.458","0.005","90","","101.94","0.004","90","","1670.8","1","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ag Cl N4 O4 S2 -","- C14 H10 Ag Cl N4 O4 S2 -","- C56 H40 Ag4 Cl4 N16 O16 S8 -","4","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0751","0.0568","","","0.16","0.1698","","","","","","1.007","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205506","8.2588","0.0012","9.6887","0.0014","13.0447","0.0019","71.193","0.002","81.694","0.002","72.739","0.002","942.2","0.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Ag F3 N4 O2 S2 -","- C16 H10 Ag F3 N4 O2 S2 -","- C32 H20 Ag2 F6 N8 O4 S4 -","2","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0592","0.0479","","","0.1421","0.1489","","","","","","1.089","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205507","8.546","0.004","11.661","0.006","10.097","0.005","90","","108.355","0.008","90","","955","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0577","0.0459","","","0.1195","0.1264","","","","","","1.079","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205508","14.3365","0.0018","5.0427","0.0007","12.6153","0.0015","90","","100.28","0.009","90","","897.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0939","0.0616","","","0.1417","0.1566","","","","","","1.147","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205509","10.3591","0.0004","12.9102","0.0004","27.5492","0.0008","90","","90","","90","","3684.4","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0778","0.0434","","","0.0978","0.115","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205510","23.0936","0.0009","7.945","0.0003","15.8799","0.0007","90","","132.487","0.003","90","","2148.59","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0251","0.0248","","","0.0652","0.0655","","","","","","1.106","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205511","8.8647","0.0012","14.487","0.002","14.955","0.002","92.109","0.009","104.197","0.008","99.937","0.008","1827.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H81 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","1","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0695","0.0426","","","0.0862","0.0958","","","","","","1.015","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205512","16.899","0.01","11.673","0.006","18.918","0.011","90","","98.356","0.012","90","","3692","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 N20 O6 -","- C78 H90 Ag2 N20 O6 -","- C156 H180 Ag4 N40 O12 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0645","0.0337","","","0.0726","0.0832","","","","","","1.02","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205513","17.3463","0.0008","11.8598","0.0005","19.225","0.0009","90","","99.584","0.003","90","","3899.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 B2 F8 N18 -","- C78 H90 Ag2 B2 F8 N18 -","- C156 H180 Ag4 B4 F16 N36 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0644","0.0387","","","0.08","0.0891","","","","","","1.01","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205514","20.379","0.003","20.379","","16.588","0.002","90","","90","","90","","6889.1","1.3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H78 Ag2 B2 F8 N14 -","- C70 H78 Ag2 B2 F8 N14 -","- C280 H312 Ag8 B8 F32 N56 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.059","0.0418","","","0.1046","0.1114","","","","","","1.065","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205515","16.3239","0.0018","19.566","0.002","20.852","0.002","90","","90","","90","","6660","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 Ag2 N15 O6 -","- C68 H75 Ag2 N15 O6 -","- C272 H300 Ag8 N60 O24 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0466","0.0423","","","0.1178","0.1218","","","","","","1.068","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205516","19.8931","0.0006","19.8931","0.0006","19.8931","0.0006","90","","90","","90","","7872.4","0.4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C66 H72 Ag2 F12 N12 P2 -","- C66 H72 Ag2 F12.004 N12 P2 -","- C264 H288 Ag8 F48.016 N48 P8 -","4","0.166667","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.109","0.0776","","","0.2651","0.3221","","","","","","1.111","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205517","10.0339","0.0008","12.3064","0.0009","17.8158","0.0014","90","","103.88","0.003","90","","2135.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0285","0.0238","","","0.0582","0.061","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205518","15.7432","0.0003","22.136","0.0004","15.9373","0.0003","90","","90.294","0.001","90","","5553.94","0.18","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H82 O9 -","- C62 H82 O9 -","- C248 H328 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0672","0.0551","","","0.1531","0.1723","","","","","","1.051","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205519","15.6344","0.0006","22.1572","0.0007","15.8763","0.0005","90","","91.049","0.002","90","","5498.9","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H84 O9 -","- C62 H84 O9 -","- C248 H336 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0861","0.0524","","","0.15","0.1668","","","","","","1.015","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205520","15.6509","0.0004","25.0523","0.0006","15.9443","0.0004","90","","90.258","0.001","90","","6251.6","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H98 O9 -","- C70 H98 O9 -","- C280 H392 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0758","0.0433","","","0.1126","0.1485","","","","","","1.04","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205521","15.6292","0.0003","23.7075","0.0005","16.6136","0.0004","90","","92.02","0.001","90","","6152","0.2","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H94 O9 -","- C70 H94 O9 -","- C280 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1199","0.0862","","","0.2346","0.2824","","","","","","1.043","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205522","15.9123","0.0011","24.6729","0.0016","16.1465","0.001","90","","90.295","0.004","90","","6339.1","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C74 H94 O9 -","- C74 H94 O9 -","- C296 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1068","0.0713","","","0.2116","0.2327","","","","","","1.091","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205523","15.6436","0.0004","23.5263","0.0005","15.9163","0.0003","90","","91.356","0.001","90","","5856.1","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H90 O9 -","- C68 H90 O9 -","- C272 H360 O36 -","4","1","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0777","0.0527","","","0.1402","0.1704","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205524","10.298","0.002","6.4096","0.0013","24.68","0.007","90","","108.08","0.03","90","","1548.6","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","","- C15 H12 N4 O8 -","- C15 H12 N4 O8 -","- C60 H48 N16 O32 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Characterization, physicochemical and photo-stability of a co-crystal involving an antibiotic drug, nitrofurantoin, and 4-hydroxybenzoic acid","CrystEngComm","2011","13","3","759","","10.1039/c0ce00772b","","","0.71073","MoKα","","0.0599","0.0552","","","0.1463","0.1546","","","","","","1.134","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205525","14.0455","0.0001","14.0455","0.0001","14.6075","0.0002","90","","90","","90","","2881.71","0.05","273","2","273","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H14 Cu3 N6 O9 -","- C12 H14 Cu3 N6 O9 -","- C48 H56 Cu12 N24 O36 -","4","0.25","","Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao","A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change","CrystEngComm","2011","13","3","768","","10.1039/c0ce00775g","","","0.71073","MoKα","","0.085","0.0469","","","0.1318","0.1406","","","","","","0.95","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205526","17.7892","0.0003","17.7892","0.0003","15.0473","0.0003","90","","90","","90","","4761.8","0.15","173","2","173","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H46 F6 N4 O3 S2 Si Zn -","- C46 H46 F6 N4 O3 S2 Si Zn -","- C184 H184 F24 N16 O12 S8 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0776","0.0663","","","0.1993","0.2118","","","","","","1.064","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205527","19.9188","0.0003","19.9188","0.0003","15.2892","0.0006","90","","90","","90","","6066.1","0.3","173","2","173","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H40 Cl16 F6 N4 Si Zn -","- C52 H40 Cl16 F6 N4 Si Zn -","- C208 H160 Cl64 F24 N16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0862","0.0537","","","0.137","0.17","","","","","","1.065","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205535","11.809","0.007","24.155","0.013","35.31","0.019","109.785","0.008","95.2","0.008","94.589","0.009","9372","9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C24 H20 K39 O350 P8 Sn4 W76 -","4","2","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0636","0.0486","","","0.1193","0.1265","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205536","11.914","0.005","18.028","0.007","24.593","0.013","109.06","0.008","92.994","0.008","108.872","0.005","4650","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9 O86 P2 Sn W19 -","- C6 H5 K9 O86 P2 Sn W19 -","- C12 H10 K18 O172 P4 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0581","0.0428","","","0.1103","0.1194","","","","","","1.034","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205537","32.678","0.004","14.1708","0.0019","39.662","0.005","90","","94.992","0.002","90","","18297","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C96 H80 K48 O663.92 P16 Rb16 Sn16 W152 -","8","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0747","0.0458","","","0.1331","0.1508","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205538","12.071","0.007","17.845","0.01","24.577","0.013","69.222","0.007","80.827","0.008","70.812","0.008","4669","5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C16 H10 Cu2 K8 N2 O168 P4 Rb8 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0596","0.0432","","","0.1081","0.1155","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205583","12.1042","0.001","12.6256","0.001","15.2007","0.0011","110.722","0.002","111.88","0.002","95.796","0.002","1942.3","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O6 -","- C42 H57 N3 O6 -","- C84 H114 N6 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1291","0.0793","","","0.1976","0.2255","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205584","10.156","0.002","9.334","0.002","8.385","0.002","90","","94.4","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1244","0.0795","","","0.1516","0.1674","","","","","","1.1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205585","7.4542","0.0013","9.707","0.0016","13.61","0.002","100.688","0.002","96.117","0.003","90.07","0.003","962","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0745","0.0629","","","0.1722","0.179","","","","","","1.097","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205586","8.9392","0.0004","10.5683","0.0005","12.361","0.0006","71.167","0.001","75.904","0.001","67.648","0.001","1012.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C40 H48 N4 O8 S4 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0332","0.032","","","0.0866","0.0877","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205587","11.6939","0.0008","10.6964","0.0007","8.8496","0.0006","90","","93.17","0.002","90","","1105.24","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.052","0.0482","","","0.126","0.1294","","","","","","1.056","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205588","8.5009","0.0006","10.6106","0.0007","13.78","0.0009","90","","101.651","0.001","90","","1217.34","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C52 H60 N8 O12 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.061","0.0547","","","0.1652","0.1709","","","","","","1.04","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205589","12.5672","0.0016","8.3029","0.001","8.2837","0.0011","90","","94.708","0.003","90","","861.44","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0529","0.0491","","","0.1222","0.1244","","","","","","1.13","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205590","6.9358","0.0005","7.3424","0.0004","16.7449","0.0009","90.167","0.007","100.702","0.005","116.683","0.002","745.05","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","cinnamic acid 3-nitrobenzamide co-crystal","cinnamic acid 3-nitrobenzamide co-crystal","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H.","Electrochemically induced co-crystallization for product removal","CrystEngComm","2011","13","8","2817","","10.1039/c0ce00284d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.202","","","","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205591","9.3699","0.0014","32.679","0.005","10.0882","0.0015","90","","93.835","0.004","90","","3082.1","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate","","- C36 H39 N O5 -","- C36 H39 N O5 -","- C144 H156 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0603","0.0398","","","0.0785","0.0851","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205592","9.3986","0.001","33.587","0.004","10.0932","0.001","90","","94.981","0.002","90","","3174.1","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMA solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0813","0.0469","","","0.0924","0.104","","","","","","1.133","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205593","9.65","0.0012","10.6523","0.0012","29.701","0.004","90","","90","","90","","3053.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMF solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0398","0.032","","","0.0729","0.0767","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205594","9.4536","0.0019","9.946","0.002","17.296","0.004","98.88","0.03","98.57","0.03","91.31","0.03","1587.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C76 H86 N2 O10 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0285","0.0266","","","0.0659","0.0676","","","","","","1.061","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205595","18.078","0.006","37.848","0.01","15.839","0.005","90","","123.46","0.004","90","","9041","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H35 Cl2 N6 O8 S8 Zn -","- C35.5 H30 Cl2 N6 O8 S8 Zn -","- C284 H240 Cl16 N48 O64 S64 Zn8 -","8","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1216","0.098","","","0.1642","0.1764","","","","","","0.948","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205596","16.611","0.0016","15.9977","0.0015","15.7389","0.0015","90","","90","","90","","4182.4","0.7","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H33 N5 O6 S8 Zn -","- C40 H29 N5 O6 S8 Zn -","- C160 H116 N20 O24 S32 Zn4 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.7107","MoKα","","0.0688","0.0589","","","0.125","0.13","","","","","","1.088","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205597","25.41","0.004","11.2071","0.0015","23.501","0.004","90","","96.552","0.002","90","","6648.7","1.8","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H44 Cl8 N6 O2 S12 Zn3 -","- C50 H36 Cl8 N6 O2 S12 Zn3 -","- C200 H144 Cl32 N24 O8 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1176","0.1033","","","0.1797","0.1862","","","","","","1.185","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205598","25.617","0.005","11.331","0.002","24.005","0.005","90","","94.519","0.003","90","","6946","2","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C55.5 H54 Cl6 N6 O1.5 S12 Zn3 -","- C55.5 H28 Cl6 N6 O1.5 S12 Zn3 -","- C222 H112 Cl24 N24 O6 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1267","0.1003","","","0.2698","0.2934","","","","","","1.153","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205599","9.982","0.005","14.264","0.006","14.747","0.007","90","","101.191","0.007","90","","2059.8","1.7","223","2","223","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 Cl2 N4 O8 S8 Zn -","- C36 H32 Cl2 N4 O8 S8 Zn -","- C72 H64 Cl4 N8 O16 S16 Zn2 -","2","0.5","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1106","0.0782","","","0.153","0.1708","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205600","8.6798","0.0007","9.9988","0.0008","13.7746","0.001","99.506","0.001","101.962","0.001","101.479","0.001","1119.24","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.028","0.027","","","0.064","0.0645","","","","","","1.165","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205601","8.697","0.0005","9.7684","0.0006","13.5891","0.0008","98.38","0.001","101.463","0.001","103.397","0.001","1078.16","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0291","0.0275","","","0.0692","0.0701","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205602","8.8539","0.0014","9.3957","0.0015","12.052","0.0019","92.737","0.002","102.777","0.002","102.993","0.002","947.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0637","0.055","","","0.1371","0.1424","","","","","","1.156","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205603","8.5514","0.0007","9.6731","0.0008","11.5283","0.0009","94.175","0.001","93.696","0.001","107.143","0.001","905.12","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0642","0.0611","","","0.1576","0.1608","","","","","","1.077","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205604","9.054","0.01","10.406","0.011","10.574","0.011","69.008","0.016","77.512","0.017","82.171","0.017","906.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C19 H23 Ag N4 O2 -","- C19 H23 Ag N4 O2 -","- C38 H46 Ag2 N8 O4 -","2","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0738","0.064","","","0.1598","0.1653","","","","","","1.087","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205605","7.629","0.0015","18.696","0.004","13.297","0.003","90","","114.05","0.03","90","","1731.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C17 H20 Ag Cl N4 -","- C17 H20 Ag Cl N4 -","- C68 H80 Ag4 Cl4 N16 -","4","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0651","0.0511","","","0.1155","0.1227","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205606","4.8616","0.0006","9.1187","0.0011","13.2712","0.0016","90","","90","","90","","588.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","","- C3 H9 N O5 -","- C3 H9 N O5 -","- C12 H36 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0297","0.0294","","","0.0777","0.0782","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205607","7.2854","0.0004","8.0045","0.0005","9.6698","0.0006","79.485","0.001","72.238","0.001","87.275","0.001","527.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","glycine hydrogen peroxide sesquisolvate","glycine hydrogen peroxide sesquisolvate","","- C4 H16 N2 O10 -","- C4 H16 N2 O10 -","- C8 H32 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0315","0.0291","","","0.0812","0.0828","","","","","","1.048","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205608","8.0479","0.0014","9.6064","0.0017","9.7464","0.0017","81.813","0.003","81.415","0.002","88.676","0.003","737.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2-aminobutyric acid hydrogen peroxide sesquisolvate","2-aminobutyric acid hydrogen peroxide sesquisolvate","","- C8 H24 N2 O10 -","- C8 H24 N2 O10 -","- C16 H48 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0404","0.0349","","","0.0908","0.094","","","","","","1.073","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205609","10.0728","0.0007","7.394","0.0006","12.194","0.0007","90","","91.839","0.003","90","","907.72","0.11","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","","- C6 H16 N O4.5 -","- C6 H16 N O4.5 -","- C24 H64 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0351","0.0295","","","0.0671","0.0691","","","","","","1.045","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205610","10.0268","0.0016","7.2283","0.0012","14.15","0.002","90","","92.78","0.003","90","","1024.3","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0364","0.0315","","","0.0788","0.0809","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205611","6.129","0.003","6.387","0.003","17.177","0.007","90","","90","","90","","672.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0382","0.0372","","","0.092","0.0928","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205612","8.7005","0.0019","5.9331","0.0013","10.929","0.002","90","","94.65","0.004","90","","562.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0481","0.0419","","","0.0951","0.0982","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205613","6.8875","0.0011","9.5679","0.0016","10.576","0.0018","90","","101.842","0.002","90","","682.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-aminopropanoic acid hydrogen peroxide disolvate","3-aminopropanoic acid hydrogen peroxide disolvate","","- C3 H11 N O6 -","- C3 H11 N O6 -","- C12 H44 N4 O24 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0759","0.0772","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205614","9.906","0.003","7.645","0.002","11.427","0.003","90","","98.162","0.004","90","","856.6","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C24 H60 N4 O16 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0276","0.027","","","0.0725","0.0728","","","","","","1.091","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205615","9.868","0.002","6.089","0.001","12.466","0.002","90","","108.14","0.03","90","","711.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoquinolinone","Isoquinolin-3(2H)-one","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0816","0.0661","","","0.1917","0.2018","","","","","","1.113","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205616","7.102","0.006","7.909","0.006","9.35","0.005","97.37","0.03","95.76","0.03","101.14","0.03","506.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.112","0.0482","","","0.1205","0.1451","","","","","","0.817","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205617","14.166","0.003","9.432","0.002","20.139","0.004","90","","91.88","0.02","90","","2689.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one).HOAc","","- C35 H29 N2 O5 -","- C34 H25 N2 O3.5 -","- C136 H100 N8 O14 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1034","0.0593","","","0.1505","0.1667","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205618","27.1065","0.0012","9.2347","0.0004","16.4901","0.0008","90","","115.402","0.001","90","","3728.7","0.3","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0717","0.0416","","","0.0984","0.1164","","","","","","1.036","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205619","26.761","0.008","9.111","0.003","16.998","0.006","90","","114.443","0.009","90","","3773","2","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol: 2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.2198","0.0879","","","0.2394","0.3502","","","","","","0.926","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205620","25.4736","0.0009","8.5626","0.0003","16.9318","0.0006","90","","90","","90","","3693.2","0.2","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0716","0.042","","","0.1009","0.1214","","","","","","1.008","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205621","25.479","0.003","8.1154","0.0008","17.987","0.002","90","","90","","90","","3719.2","0.7","286","2","286","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1681","0.0901","","","0.2565","0.3356","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205622","13.372","0.003","7.167","0.001","28.248","0.006","90","","108.79","0.03","90","","2562.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,2,4,5-tetracarboxylic acid:2(Isoquinolin-3(2H)-one),H2O","","- C28 H28 N2 O11 -","- C28 H28 N2 O11 -","- C112 H112 N8 O44 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.113","0.0501","","","0.1242","0.1428","","","","","","0.925","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205623","5.728","0.001","22.789","0.004","11.111","0.002","90","","116.9","0.03","90","","1293.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-benzenediol:Isoquinolin-3(2H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1014","0.0511","","","0.1478","0.1748","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205624","20.0585","0.0004","9.71812","0.00017","13.84077","0.00026","90","","90","","90","","2697.99","0.09","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko","Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis","CrystEngComm","2011","13","9","3197","","10.1039/c0ce00500b","powder diffraction","x-ray","1.19751","","","","","","","","","0.0957","","4.53","","","","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205625","7.9787","0.0002","8.0272","0.0002","15.4271","0.0005","92.228","0.002","97.055","0.002","119.405","0.001","848.61","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","orange polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","1","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0405","0.0345","","","0.0885","0.0977","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205626","7.986","0.0002","7.0973","0.0002","15.2269","0.0004","90","","100.144","0.001","90","","849.56","0.04","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","yellow polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0254","0.0253","","","0.0671","0.0672","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205627","7.5043","0.0007","7.8779","0.0007","8.3841","0.0007","83.864","0.006","79.848","0.007","61.879","0.006","430.14","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C24 H14 O4 -","1","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.115","0.0579","","","0.133","0.1619","","","","","","1.017","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205628","14.4679","0.0009","15.7447","0.0007","15.7561","0.0009","99.217","0.003","108.401","0.002","112.951","0.002","2966.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 N6 O20 S4 -","- C64 H56 N6 O20 S4 -","- C128 H112 N12 O40 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1381","0.0857","","","0.1791","0.2002","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205629","16.5101","0.0005","17.2117","0.0008","18.3538","0.0009","98.677","0.002","115.325","0.002","105.537","0.002","4325.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 N9 O32.8 S4 -","- C82 H62.5 N9 O32.862 S4 -","- C164 H125 N18 O65.724 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1465","0.1051","","","0.2304","0.2496","","","","","","1.13","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205630","15.7679","0.0004","19.3917","0.0004","20.0469","0.0007","67.989","0.002","68.407","0.001","73.523","0.001","5208","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H76.54 N12 O34.01 S4 -","- C100 H76.535 N12 O34.012 S4 -","- C200 H153.07 N24 O68.024 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1193","0.1015","","","0.2637","0.2752","","","","","","1.091","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205631","14.959","0.0003","17.5","0.0005","24.004","0.0007","71.799","0.002","85.778","0.002","71.804","0.001","5668.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H111 Al N8 O56.95 S8 -","- C104 H111 Al N8 O56.948 S8 -","- C208 H222 Al2 N16 O113.896 S16 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1247","0.0798","","","0.1715","0.1909","","","","","","1.029","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205632","7.102","0.0002","8.033","0.0002","11.9154","0.0003","95.252","0.001","104.65","0.001","99.577","0.001","642.12","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 N O6 S -","- C12 H13 N O6 S -","- C24 H26 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0282","0.0268","","","0.0706","0.0801","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205633","7.075","0.0003","8.3144","0.0004","11.1366","0.0005","94.937","0.003","102.315","0.003","102.312","0.003","619.34","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0871","0.0543","","","0.1215","0.1391","","","","","","1.028","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205634","11.6327","0.0019","11.6594","0.0019","11.861","0.002","71.091","0.003","77.13","0.003","85.864","0.003","1483.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu Mo4 N12 O15 -","- C14 H24 Cu Mo4 N12 O15 -","- C28 H48 Cu2 Mo8 N24 O30 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0948","0.0721","","","0.1744","0.1861","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205635","10.697","0.0011","14.3444","0.0015","17.8853","0.0019","90","","91.635","0.002","90","","2743.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cu2 Mo8 N18 O31 -","- C24 H46 Cu2 Mo8 N18 O31 -","- C48 H92 Cu4 Mo16 N36 O62 -","2","0.5","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.054","0.0395","","","0.0898","0.0951","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205636","12.4369","0.0016","12.8417","0.0016","13.2691","0.0017","99.98","0.002","105.142","0.002","111.649","0.002","1813.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cu Mo4 N12 O14 -","- C20 H34 Cu Mo4 N12 O14 -","- C40 H68 Cu2 Mo8 N24 O28 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0599","0.0506","","","0.1228","0.1275","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205637","13.82","0.008","12.922","0.008","17.143","0.01","90","","112.83","0.008","90","","2822","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5 lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34.03 H25 N O7.01 -","- C136.12 H100 N4 O28.04 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.1676","0.1191","","","0.3655","0.4166","","","","","","1.426","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205638","13.895","0.0007","11.6523","0.0006","21.2968","0.0011","90","","102.131","0.001","90","","3371.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3 lutidine pamoate DMF solvate","","","- C40 H41 N3 O7 -","- C40 H41 N3 O7 -","- C160 H164 N12 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0529","0.0401","","","0.1024","0.1118","","","","","","1.058","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205639","13.9767","0.0012","12.6966","0.0011","16.7676","0.0015","90","","108.773","0.001","90","","2817.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0713","0.0443","","","0.1127","0.1265","","","","","","0.953","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205640","13.794","0.003","13.334","0.003","16.615","0.003","90","","110.507","0.003","90","","2862.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0877","0.0525","","","0.135","0.1589","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205641","13.8721","0.0011","12.9708","0.001","16.9195","0.0014","90","","111.337","0.001","90","","2835.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0574","0.0438","","","0.1149","0.1254","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205642","13.661","0.0019","13.7621","0.0019","16.906","0.002","90","","112.929","0.002","90","","2927.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0838","0.0597","","","0.1615","0.1812","","","","","","1.071","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205643","7.6968","0.0008","9.0998","0.0009","21.112","0.002","82.041","0.001","86.546","0.001","79.883","0.001","1440.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C70 H68 N4 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0536","0.0471","","","0.1216","0.1285","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205644","7.637","0.0006","10.423","0.0008","20.033","0.0016","89.292","0.001","85.445","0.001","74.644","0.001","1532.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0499","0.0417","","","0.1175","0.1225","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205645","14.4128","0.0007","24.7372","0.0011","16.132","0.0007","90","","91.63","0.001","90","","5749.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pamoic acid NMP solvate","","","- C33 H34 N2 O8 -","- C33 H34 N2 O8 -","- C264 H272 N16 O64 -","8","2","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0719","0.0404","","","0.0796","0.0918","","","","","","0.905","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205646","7.6795","0.0014","10.384","0.002","20.335","0.004","88.829","0.002","83.31","0.002","74.932","0.002","1555.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0537","0.0446","","","0.1325","0.1384","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205647","26.404","0.002","4.7782","0.0004","24.059","0.002","90","","115.175","0.002","90","","2747","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(2-picoline) pamoaic acid co-crystal","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0532","0.0401","","","0.097","0.1064","","","","","","1.02","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205648","9.5321","0.0009","10.0301","0.001","14.9869","0.0015","81.54","0.001","87.445","0.001","87.28","0.001","1414.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(3-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C70 H60 N4 O12 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0455","0.0372","","","0.0957","0.1025","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205649","13.8694","0.0011","12.7194","0.001","16.5587","0.0013","90","","111.16","0.001","90","","2724.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate THF solvate","","","- C33 H31 N O7 -","- C33 H31 N O7 -","- C132 H124 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0568","0.0421","","","0.1081","0.1188","","","","","","1.048","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205650","12.3324","0.0014","12.9301","0.0015","18.078","0.002","90","","99.542","0.002","90","","2842.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(4-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0497","0.038","","","0.0959","0.1031","","","","","","1.067","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205651","14.108","0.002","11.5703","0.0018","21.107","0.003","90","","101.733","0.002","90","","3373.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-picolinium) pamoate 3-picoline co-crystal","","","- C41 H37 N3 O6 -","- C41 H37 N3 O6 -","- C164 H148 N12 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0584","0.0402","","","0.0948","0.1059","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205652","8.897","0.0009","13.7462","0.0013","21.261","0.002","90","","95.519","0.001","90","","2588.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethylammonium pamoate DMF solvate","","","- C28 H30 N2 O7 -","- C28 H30 N2 O7 -","- C112 H120 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0788","0.0468","","","0.1034","0.1222","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205653","14.536","0.003","5.2295","0.0005","6.4483","0.0008","90","","100.415","0.013","90","","482.1","0.13","294","","294","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C4 H5 Ca0.5 O2 -","- C4 H5 Ca0.5 O2 -","- C16 H20 Ca2 O8 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.0455","0.0333","","0.0594","0.042","0.042","","","","","","1.0087","","","","has coordinates,has disorder","288252","2023-12-12","14:26:25",""
"7205654","17.0609","0.001","8.1048","0.001","9.1311","0.001","90","","101.23","0.01","90","","1238.4","0.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Mg O7 -","- C8 H16 Mg O7 -","- C32 H64 Mg4 O28 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.1648","0.0478","","0.0855","0.0351","0.0351","","","","","","1.1799","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7205655","10.8413","0.0004","10.7317","0.0003","12.404","0.0004","90","","112.033","0.004","90","","1337.75","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 N4 O12 -","- C32 H16 N4 O12 -","- C64 H32 N8 O24 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","1.54184","CuKα","","0.0622","0.0388","","","0.0924","0.104","","","","","","0.833","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205656","11.982","0.003","21.272","0.006","12.948","0.003","90","","110.586","0.003","90","","3089.5","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","DMF","","","- C35 H23 N5 O13 -","- C35 H23 N5 O13 -","- C140 H92 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0456","0.0392","","","0.105","0.1094","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205657","11.918","0.003","21.169","0.005","13.55","0.003","90","","110.775","0.002","90","","3196.3","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H25 N5 O13 -","- C36 H25 N5 O13 -","- C144 H100 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0537","0.0526","","","0.1573","0.1582","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205658","12.2118","0.0013","21.065","0.002","13.1639","0.0015","90","","110.508","0.002","90","","3171.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C74 H50 N10 O26 -","- C74 H50 N10 O26 -","- C148 H100 N20 O52 -","2","0.5","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0605","0.0462","","","0.1005","0.1068","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205659","11.6967","0.0012","13.138","0.0013","13.3989","0.0013","92.294","0.001","96.576","0.001","112.537","0.001","1881.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Nitrobenzene solvate","","","- C44 H26 N6 O16 -","- C44 H26 N6 O16 -","- C88 H52 N12 O32 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0383","0.0336","","","0.0852","0.0892","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205660","32.461","0.012","18.024","0.006","19.748","0.007","90","","119.964","0.009","90","","10010","6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H10 Cu2 N2 O14 -","- C30 H10 Cu2 N2 O14 -","- C180 H60 Cu12 N12 O84 -","6","0.75","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.1634","0.0819","","","0.1423","0.1568","","","","","","0.951","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205661","15.2248","0.0003","36.4392","0.0007","10.3036","0.0002","90","","90","","90","","5716.23","0.19","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C38 H28 Cu2 N4 O14 -","- C38 H28 Cu2 N4 O14 -","- C152 H112 Cu8 N16 O56 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","1.54178","CuKα","","0.0452","0.0375","","","0.1018","0.1057","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205662","14.981","0.002","36.371","0.005","10.922","0.002","90","","90","","90","","5951.1","1.6","183","2","183","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C44 H28 Cu2 N4 O12 -","- C44 H28 Cu2 N4 O12 -","- C176 H112 Cu8 N16 O48 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.0491","0.0429","","","0.1238","0.1285","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205663","4.9179","0.0005","5.4897","0.0007","9.5322","0.0011","92.426","0.009","102.087","0.009","94.81","0.009","250.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0629","0.0375","","","","0.0737","","","","","","0.804","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205664","4.9168","0.0005","5.4373","0.0005","14.7869","0.0014","81.199","0.008","83.738","0.008","88.135","0.008","388.28","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0918","0.0568","","","","0.1808","","","","","","0.826","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205665","11.4966","0.0004","5.1521","0.0002","17.0937","0.0006","90","","96.315","0.003","90","","1006.34","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C32 H40 N8 O24 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.084","0.0491","","","","0.105","","","","","","0.973","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205666","4.9819","0.0005","5.3114","0.0007","14.748","0.002","89.543","0.012","86.238","0.01","84.973","0.01","387.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0715","0.0419","","","","0.1169","","","","","","0.788","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205667","9.41","0.001","13.033","0.001","15.183","0.002","90","","103.112","0.009","90","","1813.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43 N3 O8 S -","- C41 H43 N3 O8 S -","- C82 H86 N6 O16 S2 -","2","1","","Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia","Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution","CrystEngComm","2011","13","7","2310","","10.1039/c0ce00595a","","","0.71073","MoKα","","0.0671","0.041","","","0.0763","0.0834","","","","","","0.84","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205668","6.2214","0.0005","8.6255","0.0006","26.3909","0.0018","90","","93.039","0.004","90","","1414.21","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F6 N2 O3 P -","- C10 H13 F6 N2 O3 P -","- C40 H52 F24 N8 O12 P4 -","4","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0347","0.0297","","","0.0871","0.1008","","","","","","1.14","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205669","5.9302","0.0004","8.368","0.0006","26.0876","0.0017","89.168","0.004","87.153","0.004","87.763","0.004","1291.88","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 B F4 N2 O3 -","- C10 H13 B F4 N2 O3 -","- C40 H52 B4 F16 N8 O12 -","4","2","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0769","0.0601","","","0.173","0.191","","","","","","1.057","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205670","10.812","0.002","11.241","0.002","13.008","0.002","88.651","0.004","86.423","0.004","73.822","0.004","1515.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F6 N4 O12 S2 -","- C22 H26 F6 N4 O12 S2 -","- C44 H52 F12 N8 O24 S4 -","2","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0701","0.0625","","","0.1924","0.1991","","","","","","1.128","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205671","30.056","0.006","5.1055","0.0009","20.239","0.004","90","","129.083","0.003","90","","2410.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Br N2 O3.5 -","- C10 H14 Br N2 O3.5 -","- C80 H112 Br8 N16 O28 -","8","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0424","0.0337","","","0.0817","0.088","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205672","12.873","0.002","15.947","0.003","16.881","0.003","90","","90.206","0.005","90","","3465.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).(phloroglucinol).4(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol).4(H2O)","","- C36 H38 N4 O9 -","- C36 H30 N4 O9 -","- C144 H120 N16 O36 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1038","0.0637","","","0.1806","0.1999","","","","","","1.221","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205673","19.3013","0.0016","15.3054","0.0013","28.1176","0.0019","90","","122.935","0.004","90","","6971.4","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).3(phloroglucinol).4(H2O)","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).3(phloroglucinol).4(H2O)","","- C78 H74 N8 O17 -","- C78 H66 N8 O17 -","- C312 H264 N32 O68 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1256","0.0592","","","0.1616","0.1901","","","","","","1.018","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205674","8.6268","0.0009","9.6019","0.001","12.1252","0.0013","76.149","0.003","88.03","0.003","67.701","0.003","900.46","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.0617","0.0408","","","0.1282","0.1416","","","","","","0.978","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205675","12.091","0.002","14.993","0.003","22.115","0.004","90","","97.25","0.005","90","","3977","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).2(methoxyresorcinol).(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).2(methoxyresorcinol).(H2O)","","- C22 H21 N2 O4.25 -","- C22 H20 N2 O4 -","- C176 H160 N16 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1168","0.0808","","","0.2041","0.2245","","","","","","1.364","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205676","15.178","0.005","6.09","0.002","26.47","0.008","90","","102.28","0.01","90","","2390.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1758","0.0761","","","0.1718","0.2028","","","","","","0.966","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205677","3.787","0.003","7.549","0.005","11.992","0.008","74.198","0.008","88.428","0.007","85.816","0.007","329","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","1","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.6998","","","0.1625","0.1111","","","0.2526","0.2743","","","","","","1.168","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205678","7.5585","0.0004","27.376","0.0013","8.7184","0.0004","90","","115.492","0.002","90","","1628.39","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0191","0.0176","","","0.0415","0.042","","","","","","1.056","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205679","7.578","0.0015","27.411","0.006","8.7224","0.0017","90","","115.57","0.03","90","","1634.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0361","0.0286","","","0.0672","0.0695","","","","","","1.042","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205680","16.263","0.003","7.3876","0.0015","13.645","0.003","90","","99.33","0.03","90","","1617.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0267","0.0238","","","0.0643","0.0654","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205681","22.841","0.003","22.841","0.003","15.503","0.003","90","","90","","90","","8088","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H57 Co Mo8 N16 O42 P V6 -","- C56 H56 Co Mo8 N16 O42 P V6 -","- C224 H224 Co4 Mo32 N64 O168 P4 V24 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0358","0.0293","","","0.0779","0.0811","","","","","","1.061","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205682","11.467","0.002","12.372","0.003","16.851","0.003","70.23","0.03","81.19","0.03","88.27","0.03","2222.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","1","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal–organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0703","0.0478","","","0.1225","0.1408","","","","","","1.088","","","","has coordinates","291143","2024-04-09","08:49:14",""
"7205683","12.578","0.003","15.148","0.003","16.389","0.003","95.96","0.03","110.13","0.03","102.95","0.03","2800.9","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 Cd Mo6 N8 O38 P4 -","- C28 H28 Cd Mo6 N8 O38 P4 -","- C56 H56 Cd2 Mo12 N16 O76 P8 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.1406","0.0789","","","0.167","0.2061","","","","","","1.058","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205684","17.11","0.002","17.11","0.002","10.74","0.002","90","","90","","90","","3144.2","0.8","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C6 H30 Co3 Mo4 N6 O28 P4 -","- C6 Co3 Mo4 N6 O28 P4 -","- C24 Co12 Mo16 N24 O112 P16 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0408","0.0358","","","0.0927","0.0951","","","","","","1.144","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205685","6.9147","0.0005","36.1972","0.0011","9.4766","0.0008","90","","92.126","0.003","90","","2370.3","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","2","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach","CrystEngComm","2011","13","9","3213","","10.1039/c0ce00657b","","","0.71073","MoKα","","0.0749","0.0748","","0.0816","0.0806","0.0806","","","","","","0.94","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205686","12.4485","0.0007","12.3314","0.0006","17.4418","0.0009","90","","94.389","0.001","90","","2669.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd N4 O4 -","- C28 H28 Cd N4 O4 -","- C112 H112 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.067","0.0462","","","0.114","0.1266","","","","","","1.035","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205687","12.5219","0.0007","12.2292","0.0007","17.7853","0.001","90","","96.421","0.001","90","","2706.4","0.3","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cd N4 O4 -","- C30 H32 Cd N4 O4 -","- C120 H128 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.083","0.0485","","","0.1086","0.1239","","","","","","1.022","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205688","8.7713","0.0008","18.1647","0.0016","15.8994","0.0014","90","","90.0041","","90","","2533.2","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 N5 O10 Zn2 -","- C49 H41 N5 O9.4 Zn2 -","- C98 H82 N10 O18.8 Zn4 -","2","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0693","0.0528","","","0.148","0.1609","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205689","15.3836","0.0007","21.5307","0.001","15.7987","0.0007","90","","96.401","0.001","90","","5200.2","0.4","185","2","185","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C50.75 H43.75 N4.25 O8.25 Zn2 -","- C50.75 H42 N4.25 O8.26 Zn2 -","- C203 H168 N17 O33.04 Zn8 -","4","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0643","0.0511","","","0.1763","0.1861","","","","","","1.138","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205690","15.9388","0.0011","28.52","0.002","16.1837","0.0011","90","","105.714","0.001","90","","7081.7","0.8","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cd2 N9 O10 -","- C61 H44 Cd2 N9 O10 -","- C244 H176 Cd8 N36 O40 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.1599","0.0812","","","0.2564","0.3021","","","","","","1.062","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205691","14.7266","0.0006","7.6637","0.0003","16.2667","0.0007","90","","105.323","0.004","90","","1770.6","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 S -","- C8 H11 N3 S -","- C64 H88 N24 S8 -","8","2","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.7107","MoKα","","0.062","0.0531","","","0.1373","0.1486","","","","","","1.064","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205692","10.6285","0.0004","9.7517","0.0004","12.8232","0.0005","90","","109.712","0.001","90","","1251.19","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 N3 S -","- C11 H17 N3 S -","- C44 H68 N12 S4 -","4","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0494","0.0373","","","0.0922","0.0982","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205693","9.5098","0.0005","9.5098","0.0005","10.8333","0.0007","90","","90","","90","","979.72","0.1","200","","200","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C6 H14 N4 S2 -","- C6 H14 N4 S2 -","- C24 H56 N16 S8 -","4","","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0514","0.0296","","","0.0625","0.0685","","","","","","0.921","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205694","18.0632","0.0008","7.5649","0.0003","19.4089","0.0008","90","","116.084","0.001","90","","2382.03","0.17","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 S2 -","- C10 H14 N4 S2 -","- C80 H112 N32 S16 -","8","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0366","0.0296","","","0.0735","0.0769","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205695","9.4599","0.0006","9.5946","0.0006","11.0971","0.0007","78.984","0.001","66.485","0.001","65.045","0.001","837.03","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C28 H44 N8 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0531","0.0392","","","0.0918","0.0986","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205696","5.798","0.002","9.447","0.004","11.167","0.004","87.646","0.007","75.043","0.006","75.422","0.006","571.7","0.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N5 S2 -","- C9 H13 N5 S2 -","- C18 H26 N10 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0592","0.045","","","0.1149","0.1207","","","","","","1.07","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205697","19.249","0.004","7.6441","0.0015","26.522","0.005","90","","90","","90","","3902.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 Mn2 N8 O16 -","- C38 H26 Mn2 N8 O16 -","- C152 H104 Mn8 N32 O64 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0674","0.0508","","","0.1018","0.1086","","","","","","1.04","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205698","12.405","0.003","14.088","0.003","15.765","0.003","63.53","0.03","72.82","0.03","68.38","0.03","2264.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 Co2 N10 O18 -","- C43 H37 Co2 N10 O18 -","- C86 H74 Co4 N20 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0967","0.0619","","","0.1423","0.1609","","","","","","1.026","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205699","12.7703","0.0007","14.1255","0.0008","15.8443","0.0009","116.321","0.003","90.408","0.004","111.164","0.003","2340.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 N10 Ni2 O18 -","- C43 H33 N10 Ni2 O18 -","- C86 H66 N20 Ni4 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1323","0.0658","","","0.1673","0.1989","","","","","","0.936","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205700","8.2565","0.0017","10.422","0.002","23.99","0.005","90","","96.68","0.03","90","","2050.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu3 N8 O18 -","- C38 H28 Cu3 N8 O18 -","- C76 H56 Cu6 N16 O36 -","2","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0937","0.0603","","","0.1484","0.164","","","","","","1.034","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205701","19.237","0.004","7.5997","0.0015","26.035","0.005","90","","90","","90","","3806.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 N8 O16 Zn2 -","- C38 H26 N8 O16 Zn2 -","- C152 H104 N32 O64 Zn8 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0715","0.0476","","","0.0941","0.1019","","","","","","1.037","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205702","7.7464","0.0005","10.6554","0.0008","25.6955","0.0019","88.419","0.004","88.034","0.004","77.623","0.004","2070","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cd2 N8 O17 -","- C38 H24 Cd2 N7.65 O16.3 -","- C76 H48 Cd4 N15.3 O32.6 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1393","0.0649","","","0.137","0.1642","","","","","","0.912","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205703","8.792","0.005","21.509","0.012","7.436","0.004","90","","103.882","0.007","90","","1365.1","1.3","291","2","291","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H14 Cu I S2 -","- C10 H14 Cu I S2 -","- C40 H56 Cu4 I4 S8 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0649","0.0516","","","0.1233","0.1266","","","","","","1.05","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205704","11.1804","0.0009","17.3956","0.0014","25.706","0.002","107.456","0.001","90.016","0.002","95.251","0.001","4747.3","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Cu12 I12 S12 -","- C60 H84 Cu12 I12 S12 -","- C120 H168 Cu24 I24 S24 -","2","1","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0804","0.0597","","","0.1428","0.1489","","","","","","1.023","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205705","24.998","0.006","8.734","0.002","22.402","0.006","90","","101.507","0.002","90","","4793","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 Cu2 I2 N O S4 -","- C38 H49 Cu2 I2 N O S4 -","- C152 H196 Cu8 I8 N4 O4 S16 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0701","0.0492","","","0.1013","0.1047","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205706","16.665","0.0005","16.665","0.0005","57.781","0.008","90","","90","","120","","13897","2","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C27 H35 Cu4 I4 O S3 -","- C27 H34.98 Cu4 I4 O S3 -","- C324 H419.76 Cu48 I48 O12 S36 -","12","0.333333","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0775","0.0481","","","0.1161","0.1226","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205707","14.33","0.005","13.962","0.005","17.424","0.006","90","","98.347","0.004","90","","3449","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O5 P Zn1.5 -","- C17 H12 N2 O5 P Zn1.5 -","- C136 H96 N16 O40 P8 Zn12 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0344","0.0276","","","0.0685","0.0708","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205708","17.804","0.006","19.34","0.012","10.242","0.007","90","","119.51","0.05","90","","3069","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9.5 N0.5 O5.5 P Zn -","- C8 H8 N0.5 O5.5 P Zn -","- C64 H64 N4 O44 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0817","0.0695","","","0.1991","0.2115","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205709","18.372","0.008","19.143","0.008","10.534","0.005","90","","124.353","0.01","90","","3059","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H19.5 N1.5 O7.5 P Zn -","- C10.5 H16 N1.5 O7.5 P Zn -","- C84 H128 N12 O60 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0537","0.0408","","","0.1098","0.1204","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205710","6.3597","0.0002","8.6865","0.0002","11.2216","0.0003","69.182","0.001","89.501","0.001","81.866","0.001","573.04","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.052","0.0368","","","0.0893","0.1017","","","","","","1.062","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205711","9.3792","0.0001","13.262","0.0002","20.959","0.0004","74.809","0.001","88.358","0.001","78.396","0.001","2463.71","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","acridine:tetrafluoro-1,2-diiodobenzene 7/4","acridine:tetrafluoro-1,2-diiodobenzene 7/4","","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0829","0.0438","","","0.0805","0.0923","","","","","","1.013","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205712","14.3077","0.0003","7.6892","0.0002","20.0916","0.0004","90","","125.881","0.001","90","","1790.92","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0766","0.0412","","","0.104","0.1259","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205713","15.8642","0.0002","8.3329","0.0001","18.4437","0.0003","90","","106.542","0.001","90","","2337.25","0.06","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","","- C24 H15 F4 I2 O P -","- C24 H15 F4 I2 O P -","- C96 H60 F16 I8 O4 P4 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0694","0.0381","","","0.0709","0.0801","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205714","10.9742","0.0003","11.196","0.0003","32.3795","0.0009","90","","90","","90","","3978.38","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Fabrication of nanoporous material from a hydrophobic peptide","CrystEngComm","2011","13","8","3064","","10.1039/c0ce00701c","","","0.71073","MoKα","","0.1031","0.0474","","","0.1447","0.2078","","","","","","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205715","8.597","0.0008","9.2441","0.0009","11.8821","0.0012","103.269","0.002","102.055","0.002","95.831","0.002","887.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0854","0.066","","","0.2278","0.233","","","","","","1.076","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205716","21.6393","0.0006","13.1753","0.0003","12.3516","0.0003","90","","92.557","0.001","90","","3517.99","0.15","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 Co N14 O2 S2 -","- C29 H28 Cl2 Co N14 O2 S2 -","- C116 H112 Cl8 Co4 N56 O8 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0705","0.0631","","","0.1964","0.2066","","","","","","1.12","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205717","22.065","0.005","13.166","0.003","12.255","0.002","90","","92.379","0.005","90","","3557.1","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N14 Ni S2 -","- C26 H28 N14 Ni S2 -","- C104 H112 N56 Ni4 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0916","0.0577","","","0.1611","0.1776","","","","","","0.954","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205718","8.2524","0.0003","9.4588","0.0003","13.392","0.0004","94.799","0.001","102.386","0.001","109.501","0.001","948.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0523","0.039","","","0.1124","0.1171","","","","","","0.686","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205719","8.718","0.0002","10.228","0.0002","13.392","0.0003","107.593","0.001","95.645","0.001","111.992","0.001","1024.78","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0395","0.0319","","","0.0849","0.1078","","","","","","1.231","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205720","10.3434","0.0002","10.5131","0.0002","13.7616","0.0004","85.273","0.001","73.301","0.001","67.728","0.001","1325.82","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0414","0.0355","","","0.099","0.1056","","","","","","0.98","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205721","7.4983","0.0015","8.6759","0.0017","9.793","0.002","82.62","0.03","67.51","0.03","84.25","0.03","582.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0516","0.0347","","","0.0713","0.0748","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205722","6.2301","0.0012","8.6277","0.0017","8.961","0.0018","110.7","0.03","110.27","0.03","91.49","0.03","416.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0164","0.0155","","","0.035","0.0352","","","","","","1.111","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205723","6.2071","0.0008","8.5862","0.0018","8.8891","0.0011","110.938","0.002","110.025","0.002","91.761","0.002","409.34","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0295","0.0267","","","0.0658","0.0674","","","","","","1.12","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205724","6.1931","0.0012","8.5776","0.0017","8.8684","0.0018","111.03","0.03","109.97","0.03","91.82","0.03","406.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0179","0.0173","","","0.0445","0.0447","","","","","","1.237","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205725","18.833","0.003","7.7766","0.0012","14.755","0.002","90","","113.696","0.002","90","","1978.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O17 Tb2 -","- C15 H16 O17 Tb2 -","- C60 H64 O68 Tb8 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0287","0.0232","","","0.0477","0.0495","","","","","","1.054","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205726","18.805","0.004","7.7577","0.0016","14.724","0.003","90","","113.7","0.03","90","","1966.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Dy2 O17 -","- C15 H16 Dy2 O17 -","- C60 H64 Dy8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0192","0.0175","","","0.0377","0.0382","","","","","","1.083","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205727","18.7825","0.0018","7.7434","0.0008","14.6995","0.0014","90","","113.777","0.001","90","","1956.4","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Ho2 O17 -","- C15 H16 Ho2 O17 -","- C60 H64 Ho8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0211","0.0187","","","0.0412","0.0421","","","","","","1.073","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205728","7.774","0.001","7.2219","0.001","17.336","0.002","90","","91.54","0.002","90","","972.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O14 Tb2 -","- C16 H14 O14 Tb2 -","- C32 H28 O28 Tb4 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0222","0.0187","","","0.0409","0.0422","","","","","","1.046","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205729","7.7489","0.0008","7.1601","0.0007","17.294","0.0018","90","","91.165","0.001","90","","959.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Er2 O14 -","- C16 H14 Er2 O14 -","- C32 H28 Er4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0284","0.0231","","","0.0501","0.0524","","","","","","1.063","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205730","7.7869","0.0019","7.2672","0.0018","17.37","0.004","90","","91.799","0.003","90","","982.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Eu2 O14 -","- C16 H14 Eu2 O14 -","- C32 H28 Eu4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0256","0.0214","","","0.0519","0.0539","","","","","","1.079","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205731","6.2191","0.0012","8.5786","0.0017","8.9113","0.0018","110.89","0.03","110.11","0.03","91.64","0.03","410.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0158","0.0152","","","0.0505","0.0507","","","","","","1.332","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205732","18.886","0.004","7.8133","0.0016","14.793","0.003","90","","113.604","0.002","90","","2000.3","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Eu2 O17 -","- C15 H16 Eu2 O17 -","- C60 H64 Eu8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0224","0.0198","","","0.0444","0.0456","","","","","","1.057","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205733","7.7659","0.0007","7.2009","0.0006","17.3199","0.0015","90","","91.452","0.001","90","","968.24","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Dy2 O14 -","- C16 H14 Dy2 O14 -","- C32 H28 Dy4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0225","0.019","","","0.0472","0.0491","","","","","","1.084","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205734","9.6267","0.0001","18.4669","0.0003","9.7167","0.0001","90","","113.689","0.001","90","","1581.84","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N4 O13 Zn -","- C25 H23 N4 O13 Zn -","- C50 H46 N8 O26 Zn2 -","2","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.08","0.063","","","0.1824","0.1961","","","","","","1.098","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205735","16.0549","0.0009","14.7739","0.0008","20.916","0.0012","90","","105.132","0.001","90","","4789.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O6 Zn -","- C24 H26 N4 O6 Zn -","- C192 H208 N32 O48 Zn8 -","8","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0499","0.0451","","","0.1311","0.1402","","","","","","1.13","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205736","12.1267","0.0002","28.8702","0.0004","9.6769","0.0001","90","","93.585","0.001","90","","3381.26","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl N6 O13 Zn2 -","- C32 H29 Cl N6 O13 Zn2 -","- C128 H116 Cl4 N24 O52 Zn8 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0384","0.0305","","","0.0749","0.0788","","","","","","1.03","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205737","9.4905","0.0005","12.112","0.0006","23.4975","0.0012","93.066","0.001","90.284","0.001","110.117","0.001","2531.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","1","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0389","0.0288","","","0.0675","0.0716","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205738","11.561","0.005","11.515","0.005","14.717","0.006","90","","94.955","0.004","90","","1951.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0592","0.0487","","","0.1251","0.1317","","","","","","1.106","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205739","9.8561","0.0007","11.9538","0.0009","22.8463","0.0016","90","","95.506","0.001","90","","2679.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N4 O11 S Zn -","- C24 H24 N4 O11 S Zn -","- C96 H96 N16 O44 S4 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0498","0.0462","","","0.132","0.1356","","","","","","1.096","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205740","11.334","0.002","9.0242","0.0018","21.631","0.004","90","","95.38","0.03","90","","2202.7","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd2 N8 O14 S2 -","- C36 H48 Cd2 N8 O14 S2 -","- C72 H96 Cd4 N16 O28 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0436","0.0328","","","0.0782","0.0837","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205741","12.511","0.003","9.2727","0.0019","15.981","0.003","90","","94.78","0.03","90","","1847.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O4 S Zn -","- C18 H18 N4 O4 S Zn -","- C72 H72 N16 O16 S4 Zn4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.1089","0.0719","","","0.1297","0.1702","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205742","32.354","0.006","9.855","0.002","18.599","0.004","90","","99.41","0.03","90","","5850","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd N8 O6 -","- C27 H27 Cd N8 O6 -","- C216 H216 Cd8 N64 O48 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0524","0.0415","","","0.1067","0.1128","","","","","","1.067","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205743","13.771","0.003","14.65","0.003","20.312","0.004","90","","101.59","0.03","90","","4014.3","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N6 O6 Zn -","- C18 H17 N6 O6 Zn -","- C144 H136 N48 O48 Zn8 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.105","0.0596","","","0.1473","0.2098","","","","","","1.08","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205744","23.105","0.005","12.069","0.002","12.498","0.003","90","","90","","90","","3485.1","1.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Cd N10 O6 -","- C36 H36 Cd N10 O6 -","- C144 H144 Cd4 N40 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0289","0.0243","","","0.0574","0.0594","","","","","","1.054","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205745","10.7613","0.0015","10.7613","0.0015","16.348","0.003","90","","90","","90","","1893.2","0.5","295","2","295","2","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C36 H36 Cl2 N8 O8 Zn -","- C36 H36 Cl2 N8 O8 Zn -","- C72 H72 Cl4 N16 O16 Zn2 -","2","0.25","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.074","0.0571","","","0.1503","0.18","","","","","","1.107","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205746","10.998","0.002","11.8","0.002","12.793","0.003","70.09","0.03","66.74","0.03","73.43","0.03","1412.1","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","1","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0944","0.0685","","","0.1768","0.2128","","","","","","1.071","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205747","18.9721","0.0007","18.9721","0.0007","20.2105","0.0013","90","","90","","90","","7274.6","0.6","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H167 N30 Ni4 O101 P V36 -","- C40 H137 N30 Ni4 O101 P V36 -","- C80 H274 N60 Ni8 O202 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.0962","0.0694","","","0.2159","0.2342","","","","","","1.053","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205748","18.8231","0.0007","18.8231","0.0007","20.332","0.0015","90","","90","","90","","7203.8","0.7","196","2","196","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H155 N30 Ni4 O95 P V36 -","- C40 H154 N30 Ni4 O95 P V36 -","- C80 H308 N60 Ni8 O190 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.1037","0.0698","","","0.1932","0.2045","","","","","","1.104","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205749","10.1153","0.0008","10.1153","0.0008","8.8592","0.0014","90","","90","","120","","785.02","0.15","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Br K3 O10 -","- B6 Br K3 O10 -","- B18 Br3 K9 O30 -","3","0.166667","","Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun","Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br","CrystEngComm","2011","13","8","2899","","10.1039/c0ce00725k","","","0.71073","MoKα","","0.0275","0.0273","","","0.0637","0.0639","","","","","","1.157","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205750","24.4496","0.0007","14.3595","0.0004","34.5689","0.0009","90","","92.838","0.0004","90","","12121.7","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H94 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C60 H86 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C240 H344 Fe16 Mo48 N48 Na4 O332 P36 Sr8 -","4","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0416","0.0373","","","0.1017","0.104","","","","","","1.092","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205751","11.4944","0.0011","14.2418","0.0014","15.262","0.0015","69.142","0.001","81.976","0.001","88.108","0.001","2311.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H76 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0558","0.044","","","0.1084","0.113","","","","","","1.04","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205752","11.9135","0.0007","13.5243","0.0008","14.224","0.0014","106.946","0.001","107.202","0.001","108.76","0.001","1874.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H54 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0257","0.0242","","","0.0651","0.066","","","","","","1.042","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205753","14.1675","0.0004","21.2583","0.0006","13.6566","0.0004","90","","113.85","","90","","3761.83","0.19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H60 Mn2 Mo12 N2 O82 P8 Sr4 -","- C10 H42 Mn2 Mo12 N2 O82 P8 Sr4 -","- C20 H84 Mn4 Mo24 N4 O164 P16 Sr8 -","2","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0248","0.0217","","","0.0533","0.0545","","","","","","1.064","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205754","10.631","0.009","9.315","0.008","18.052","0.015","90","","103.771","0.013","90","","1736","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N3 O2 -","- C20 H24 N3 O2 -","- C80 H96 N12 O8 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0921","0.0784","","","0.2147","0.2418","","","","","","0.869","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205755","25.244","0.004","18.525","0.003","8.9052","0.0013","90","","102.753","0.003","90","","4061.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0932","0.0791","","","0.1917","0.202","","","","","","1.134","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205756","8.539","0.003","13.703","0.004","17.468","0.005","90","","103.311","0.005","90","","1989","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N3 O3 -","- C17 H27 Cl2 N3 O3 -","- C68 H108 Cl8 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0606","0.0499","","","0.1206","0.1266","","","","","","1.094","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205757","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.529 -","- C68 H76 N12 O2.116 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1554","0.1693","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205758","8.93","0.003","9.877","0.003","22.497","0.006","90","","90","","90","","1984.3","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0688","0.0458","","","0.0888","0.0964","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205759","10.3222","0.0016","10.7865","0.0017","10.8589","0.0017","111.053","0.002","115.931","0.002","99.711","0.002","935.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C40 H46 N6 O8 -","2","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0715","0.0565","","","0.1223","0.1295","","","","","","1.087","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205760","13.941","0.008","15.599","0.009","9.412","0.005","90","","99.499","0.011","90","","2019","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.1209","0.1056","","","0.3023","0.3101","","","","","","1.255","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205761","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.5 -","- C68 H76 N12 O2 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1574","0.1716","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205762","6.0786","0.0004","10.5312","0.0008","17.6034","0.0012","90","","90","","90","","1126.88","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(benzoate)","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0724","0.0487","","","0.1098","0.1241","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205763","22.1824","0.0012","35.8905","0.0019","6.3763","0.0003","90","","90","","90","","5076.4","0.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(cyclohexylammonium).(benzoate)","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C208 H304 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1048","0.0702","","","0.1936","0.2219","","","","","","1.007","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205764","29.9753","0.0005","29.9753","0.0005","6.0374","0.0002","90","","90","","90","","5424.7","0.2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","(cycloheptylammonium).(benzoate)","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C224 H336 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0742","0.0442","","","0.0974","0.1117","","","","","","1.021","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205765","6.4482","0.0001","9.0987","0.0002","12.4471","0.0002","86.603","0.001","87.899","0.001","77.976","0.001","712.78","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclooctylammonium).(benzoate)","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0494","0.0419","","","0.111","0.1162","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205766","6.273","0.0005","27.265","0.002","10.4419","0.0008","90","","90.432","0.002","90","","1785.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclododecylammonium).(benzoate)","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0642","0.0559","","","0.1338","0.1384","","","","","","1.011","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205767","6.4663","0.0002","11.0134","0.0004","21.0375","0.0009","90","","90","","90","","1498.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(adamantane carboxylate)","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0475","","","0.1184","0.1267","","","","","","1.012","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205768","6.5544","0.0003","12.7452","0.0004","19.7109","0.0009","76.69","0.003","89.615","0.003","89.59","0.002","1602.3","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclohexylammonium).(adamantane carboxylate)","","- C17 H29 N O2 -","- C17 H29 N O2 -","- C68 H116 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1166","0.0915","","","0.2571","0.2709","","","","","","1.115","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205769","23.4749","0.001","6.4309","0.0002","21.8759","0.001","90","","96.802","0.002","90","","3279.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cycloheptylammonium).(adamantane carboxylate)","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C144 H248 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0772","0.05","","","0.1099","0.1218","","","","","","0.969","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205770","6.4758","0.0003","11.2016","0.0006","24.5573","0.0014","90","","93.217","0.004","90","","1778.56","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(cyclooctylammonium).(adamantane carboxylate)","","- C19 H33 N O2 -","- C19 H33 N O2 -","- C76 H132 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1684","0.065","","","0.1146","0.147","","","","","","0.918","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205771","28.971","0.0006","6.585","0.0001","23.0547","0.0005","90","","102.386","0.001","90","","4295.87","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cyclododecylammonium).(adamantanecarboxylate)","","- C23 H41 N O2 -","- C23 H41 N O2 -","- C184 H328 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0438","","","0.1231","0.1569","","","","","","0.644","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205772","5.9666","0.0002","8.7396","0.0002","19.1354","0.0006","90","","92.854","0.002","90","","996.59","0.05","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N3 S -","- C2 H7 N3 S -","- C16 H56 N24 S8 -","8","2","","Francuski, Bojana M.; Novaković, Sladjana B.; Bogdanović, Goran A.","Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Experimental charge density study of 4-methyl-3-thiosemicarbazide","CrystEngComm","2011","13","10","3580","","10.1039/c0ce00760a","","","0.71073","MoKα","","0.0295","0.0178","","","0.0385","0.0199","","","","","","0.817","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205773","16.504","0.003","25.01","0.005","26.843","0.009","90","","116.46","0.02","90","","9919","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 B Cu5 N20 O41 W12 -","- C70 H72 B Cu5 N20 O41 W12 -","- C280 H288 B4 Cu20 N80 O164 W48 -","4","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0712","0.0441","","","0.0806","0.0891","","","","","","1.022","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205774","19.675","0.002","36.612","0.0013","27.69","0.003","90","","134.453","0.019","90","","14238","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C336 H336 Cu24 Mo96 N96 O320 P8 -","8","2","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0789","0.0489","","","0.0931","0.1049","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205775","17.473","0.003","19.379","0.004","24.951","0.005","90","","105.36","0.03","90","","8147","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C224 H224 Cu16 Mo48 N64 O160 Si4 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0725","0.0696","","","0.172","0.1739","","","","","","1.093","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205776","17.455","0.004","19.421","0.004","25.063","0.005","90","","105.5","0.03","90","","8187","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 N16 O40 Si W12 -","- C56 H56 Cu4 N16 O40 Si W12 -","- C224 H224 Cu16 N64 O160 Si4 W48 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0734","0.0654","","","0.1336","0.1371","","","","","","1.195","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205777","17.4554","0.0007","19.3865","0.0008","25.0002","0.0011","90","","105.521","0.001","90","","8151.5","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C224 H224 Cu16 Ge4 Mo48 N64 O160 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0781","0.0575","","","0.1301","0.1442","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205778","9.824","0.005","10.017","0.006","11.36","0.007","111.68","0.02","96.45","0.02","94.56","0.02","1023.3","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu Mo3 N4 O9.5 -","- C14 H14 Cu Mo3 N4 O9.5 -","- C28 H28 Cu2 Mo6 N8 O19 -","2","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0384","0.0313","","","0.0777","0.0898","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205779","26.982","0.008","7.503","0.002","15.853","0.004","90","","109.316","0.007","90","","3028.7","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cu2.5 N4 O10 -","- C12 H9 Cu2.5 N4 O10 -","- C96 H72 Cu20 N32 O80 -","8","1","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0246","0.0227","","","0.0626","0.0637","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205780","13.5623","0.0016","7.2662","0.0009","15.2513","0.0013","90","","123.605","0.007","90","","1251.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu4 N8 O14 -","- C22 H16 Cu4 N8 O14 -","- C44 H32 Cu8 N16 O28 -","2","0.5","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0301","0.0259","","","0.0707","0.0728","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205781","10.099","0.002","31.64","0.007","12.45","0.003","90","","95.854","0.002","90","","3957.4","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Eu3 O23 -","- C35 H31 Eu3 O23 -","- C140 H124 Eu12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0376","0.0289","","","0.0674","0.0779","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205782","10.051","0.004","31.543","0.012","12.42","0.005","90","","96.082","0.005","90","","3915","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Gd3 O23 -","- C35 H31 Gd3 O23 -","- C140 H124 Gd12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0405","0.0339","","","0.0734","0.0766","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205783","9.9881","0.001","31.471","0.003","12.2888","0.0012","90","","96.147","0.001","90","","3840.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Dy3 O23 -","- C35 H31 Dy3 O23 -","- C140 H124 Dy12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0497","0.0366","","","0.0899","0.1021","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205784","7.049","0.002","11.888","0.003","16.218","0.005","86.15","0.01","84.556","0.0014","86.298","0.0011","1347.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Br N O4 S -","- C13 H8 Br N O4 S -","- C52 H32 Br4 N4 O16 S4 -","4","2","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1207","0.0605","","","0.1496","0.1695","","","","","","0.951","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205785","16.309","0.004","6.7318","0.0016","13.206","0.006","90","","121.757","0.009","90","","1232.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","0.5","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.1","0.0485","","","0.0813","0.0981","","","","","","1.012","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205786","7.772","0.003","11.979","0.004","13.235","0.005","90","","104.844","0.005","90","","1191.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Br N O3 S -","- C13 H6 Br N O3 S -","- C52 H24 Br4 N4 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1099","0.0847","","","0.2288","0.2477","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205787","7.665","0.003","19.245","0.007","8.027","0.002","90","","99.656","0.014","90","","1167.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N2 O3 S -","- C13 H8 N2 O3 S -","- C52 H32 N8 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.063","0.0377","","","0.0821","0.0926","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205788","7.2392","0.0011","7.256","0.002","12.9183","0.0016","73.904","0.017","77.067","0.011","70.673","0.018","608.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N O3 S -","- C15 H7 N O3 S -","- C30 H14 N2 O6 S2 -","2","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71069","MoKα","","0.1438","0.064","","","0.1265","0.15","","","","","","0.92","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205789","5.579","0.003","12.653","0.006","16.384","0.009","90","","95.977","0.01","90","","1150.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O8 P2 Zn2 -","- C7 H9 N O8 P2 Zn2 -","- C28 H36 N4 O32 P8 Zn8 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.0714","0.0553","","","0.1031","0.1113","","","","","","1.089","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205790","10.741","0.009","11.109","0.009","11.933","0.011","77.678","0.019","84.65","0.03","75.99","0.02","1348","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24.5 Cu4 N2 O19.25 P4 -","- C14 H14 Cu3.95 N2 O19.25 P4 -","- C28 H28 Cu7.9 N4 O38.5 P8 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.1286","0.0961","","","0.2824","0.3059","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205791","15.7312","0.0012","10.2246","0.0009","16.4141","0.0013","90","","113.281","0.005","90","","2425.2","0.4","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.1368","0.0638","","","0.1388","0.169","","","","","","1.026","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205792","10.0961","0.0004","10.9362","0.0004","11.6798","0.0003","86.562","0.002","78.274","0.002","67.484","0.0014","1166.21","0.07","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C60 H32 B2 Cl2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0841","0.0524","","","0.1304","0.1548","","","","","","1.059","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205793","10.1878","0.0003","11.1594","0.0004","11.6949","0.0004","87.172","0.0016","79.795","0.0017","68.681","0.0018","1218.85","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C60 H32 B2 I2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0467","0.0346","","","0.0788","0.0859","","","","","","1.049","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205794","10.1389","0.0004","11.0056","0.0004","11.6749","0.0005","86.929","0.002","78.811","0.002","68.01","0.0019","1184.74","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C60 H32 B2 Br2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0659","0.0413","","","0.0906","0.1009","","","","","","1.018","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205795","10.503","0.006","10.907","0.007","13.045","0.007","88.62","0.02","66.884","0.015","80.085","0.017","1352.3","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C40 H32 Cu Eu4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0757","0.0622","","","0.1521","0.1686","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205796","10.51","","10.9229","0.0004","13.025","0.0001","88.851","0.007","66.903","0.005","80.45","0.007","1354.67","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C40 H32 Cu N6 Nd4 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0691","0.058","","","0.1567","0.173","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205797","10.426","","10.8303","0.0003","12.9799","0.0001","88.649","0.007","66.992","0.005","80.223","0.005","1327.98","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C40 H32 Cu Gd4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0617","0.0543","","","0.1385","0.1509","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205798","10.49","0.004","10.903","0.005","13.026","0.005","88.736","0.014","66.916","0.007","80.309","0.01","1349.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C40 H32 Cu N6 O34 S2 Sm4 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0904","0.0733","","","0.1909","0.2239","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205799","15.9164","0.0008","15.9164","0.0008","7.8769","0.0004","90","","90","","120","","1728.13","0.15","100","2","100","2","","","","","","","","4","P 62","P 62","171","solvated gamma-aminobutyric acid","solvated gamma-aminobutyric acid","","- C8.2 H18 N2 O4.1 -","- C8.2 H18 N2 O4.1 -","- C49.2 H108 N12 O24.6 -","6","1","","de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A.","A hexagonal solvate of the neurotransmitter γ-aminobutyric acid","CrystEngComm","2011","13","10","3334","","10.1039/c0ce00803f","","","0.71073","MoKα","","0.1018","0.0542","","","0.1214","0.1396","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205800","10.2479","0.0004","19.6937","0.0009","36.3999","0.0015","88.258","0.003","88.801","0.003","89.558","0.004","7341","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 Br2 Fe O13 S32 -","- C52 H39 Br2 Fe O13 S32 -","- C208 H156 Br8 Fe4 O52 S128 -","4","2","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Coexistence of two donor packing motifs in the stable molecular metal α-‘pseudo-κ’-(BEDT-TTF)4(H3O)[Fe(C2O4)3]·C6H4Br2","CrystEngComm","2011","13","7","2430","","10.1039/c0ce00804d","","","0.71073","MoKα","","0.1195","0.0554","","","0.1067","0.1202","","","","","","1","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205801","9.1761","0.0003","11.7881","0.0007","11.8683","0.0007","103.977","0.002","97.401","0.003","94.414","0.003","1227.58","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O9 -","- C25 H34 N2 O9 -","- C50 H68 N4 O18 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1154","0.0531","","","0.1226","0.1717","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205802","10.1087","0.0006","10.8879","0.0004","14.367","0.001","98.432","0.003","94.188","0.003","116.888","0.003","1377.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Cl6 N2 O7 -","- C19 H28 Cl6 N2 O7 -","- C38 H56 Cl12 N4 O14 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1152","0.0605","","","0.1637","0.2061","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205803","9.7106","0.0002","19.4586","0.0004","11.009","0.0002","90","","113.827","0.001","90","","1902.91","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Cl3 N4 O4 -","- C12 H33 Cl3 N4 O4 -","- C48 H132 Cl12 N16 O16 -","4","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.0474","0.038","","","0.0757","0.0807","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205804","16.115","0.003","18.888","0.004","4.9329","0.0012","90","","90","","90","","1501.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H15 N2 O4 P -","- C15 H15 N2 O4 P -","- C60 H60 N8 O16 P4 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0455","0.0356","","","0.0802","0.0854","","","","","","1.037","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205805","6.253","0.0002","14.4187","0.0005","15.9581","0.0006","90","","93.37","0.001","90","","1436.3","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0498","0.0372","","","0.0939","0.1026","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205806","8.1846","0.0002","17.0013","0.0004","9.4108","0.0002","90","","99.507","0.001","90","","1291.52","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl N2 -","- C15 H13 Cl N2 -","- C60 H52 Cl4 N8 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.048","0.0363","","","0.0907","0.0986","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205807","14.7258","0.0007","20.1708","0.0008","20.1033","0.0007","90","","104.689","0.001","90","","5776.1","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H114 N16 O27 S6 -","- C120 H114 N16 O27 S6 -","- C240 H228 N32 O54 S12 -","2","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1144","0.0588","","","0.1041","0.1235","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205808","18.4041","0.0017","8.4011","0.0007","22.587","0.002","90","","90","","90","","3492.3","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl N2 O6 -","- C16 H19 Cl N2 O6 -","- C128 H152 Cl8 N16 O48 -","8","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1002","0.0727","","","0.2103","0.2369","","","","","","1.056","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205809","12.7148","0.0006","13.1573","0.0005","23.569","0.0012","90","","98.144","0.0017","90","","3903.2","0.3","120.1","","120.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 K8 O14 S8 -","- C72 H84 K8 O14 S8 -","- C144 H168 K16 O28 S16 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","","0.0559","","","","0.1884","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205810","22.2021","0.001","19.4371","0.0009","15.8554","0.0006","90","","130.596","0.0009","90","","5195.5","0.4","173.1","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C100 H72 K8 O23 S16 -","- C100 H72 K8 O23 S16 -","- C200 H144 K16 O46 S32 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","0.0661","0.0552","","","0.1577","0.1851","","","","","","1.379","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205811","22.572","0.0013","21.1052","0.0012","20.6054","0.0013","90","","117.648","0.013","90","","8695.3","1.4","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 Dy14 O72 -","- C120 H198 Dy14 O72 -","- C240 H396 Dy28 O144 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0554","0.0324","","","0.0849","0.1022","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205812","22.9431","0.0016","21.5429","0.001","20.9251","0.0014","90","","117.282","0.009","90","","9192","1.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 O72 Tb14 -","- C120 H198 O72 Tb14 -","- C240 H396 O144 Tb28 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0504","0.0416","","","0.0924","0.0945","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205813","20.5097","0.0016","7.9119","0.0006","12.3903","0.001","90","","123.334","0.001","90","","1679.8","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br2 N2 Ni O4 -","- C12 H18 Br2 N2 Ni O4 -","- C48 H72 Br8 N8 Ni4 O16 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0427","0.0357","","","0.0898","0.1132","","","","","","1.227","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205814","17.2034","0.0008","12.6231","0.0007","16.8913","0.0009","90","","105.234","0.001","90","","3539.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N4 Ni4 O12 -","- C32 H36 N4 Ni4 O12 -","- C128 H144 N16 Ni16 O48 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0362","0.0314","","","0.0803","0.0827","","","","","","1.06","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205815","13.7506","0.0005","22.6852","0.0008","25.2982","0.0008","110.525","0.001","93.087","0.001","105.933","0.001","7007.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H139 Br12 N13 Ni6 O38 -","- C110 H139 Br12 N13 Ni6 O38 -","- C220 H278 Br24 N26 Ni12 O76 -","2","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1121","0.0693","","","0.1866","0.2088","","","","","","1.061","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205816","28.336","0.006","8.9991","0.0018","21.869","0.004","90","","110.33","0.03","90","","5229","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H99 Br6 N9 Ni3 O28 -","- C82 H99 Br6 N9 Ni3 O28 -","- C164 H198 Br12 N18 Ni6 O56 -","2","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1406","0.0802","","","0.1967","0.2377","","","","","","0.992","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205817","17.1496","0.0004","17.1496","0.0004","16.3976","0.0008","90","","90","","90","","4822.7","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H48 Br4 N4 Ni4 O16 -","- C36 H48 Br4 N4 Ni4 O16 -","- C144 H192 Br16 N16 Ni16 O64 -","4","0.25","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.03","0.0264","","","0.0679","0.0696","","","","","","1.08","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205818","18.0337","0.0019","20.674","0.002","14.831","0.0016","90","","109.676","0.002","90","","5206.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 Ni4 O22 -","- C44 H56 N4 Ni4 O22 -","- C176 H224 N16 Ni16 O88 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0628","0.0452","","","0.1049","0.113","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205819","39.642","0.006","10.6741","0.0015","19.194","0.003","90","","94.065","0.004","90","","8101","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 N4 Ni4 O15.38 -","- C34 H44 N4 Ni4 O15.416 -","- C272 H352 N32 Ni32 O123.328 -","8","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0792","0.0562","","","0.131","0.1402","","","","","","1.087","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205820","10.599","0.005","12.238","0.005","13.468","0.005","73.105","0.005","70.024","0.005","88.139","0.005","1566.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Mo4 N12 Ni O15 -","- C16 H26 Mo4 N12 Ni O15 -","- C32 H52 Mo8 N24 Ni2 O30 -","2","1","","Wang, Xiuli; Li, Jin; Tian, Aixiang; Liu, Guocheng; Gao, Qiang; Lin, Hongyan; Zhao, Dan","A 3D organopolymolybdate polymer with unusual topology functionalized by 1,4-bis(1,2,4-triazol-1-yl)butane through Mo‒N bond","CrystEngComm","2011","13","7","2194","","10.1039/c0ce00845a","","","0.71069","MoKα","","0.0467","0.0332","","","0.0936","0.1172","","","","","","1.091","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205821","9.7616","0.0013","9.9673","0.0013","11.53","0.003","104.062","0.003","99.128","0.003","115.917","0.002","932.6","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag N8 O3 -","- C16 H15 Ag N8 O3 -","- C32 H30 Ag2 N16 O6 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0408","0.0318","","","0.0755","0.0812","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205822","15.282","0.002","15.282","0.002","40.377","0.004","90","","90","","120","","8166.3","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H48 Ag2 N20 O9 -","- C48 H48 Ag2 N20 O9 -","- C288 H288 Ag12 N120 O54 -","6","0.166667","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0931","0.0704","","","0.1886","0.2109","","","","","","1.013","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205823","11.302","0.004","9.866","0.003","19.3","0.005","90","","107.972","0.015","90","","2047.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N7 O5 -","- C18 H20 Ag N7 O5 -","- C72 H80 Ag4 N28 O20 -","4","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0427","0.029","","","0.0716","0.0783","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205824","7.7004","0.0014","9.5195","0.0018","11.112","0.002","79.404","0.003","86.652","0.003","80.058","0.003","788.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Cu N6 -","- C14 H12 Cl2 Cu N6 -","- C28 H24 Cl4 Cu2 N12 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.062","0.0453","","","0.1075","0.116","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205825","8.7198","0.0007","10.1265","0.0009","10.9772","0.0009","88.422","0.001","73.732","0.001","72.307","0.001","884.72","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","1","0.5","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0404","0.031","","","0.0703","0.0748","","","","","","1.016","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205826","35.704","0.006","33.36","0.005","8.2196","0.0013","90","","90","","90","","9790","3","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl4 Cu2 N14 O6 -","- C42 H54 Cl4 Cu2 N14 O6 -","- C336 H432 Cl32 Cu16 N112 O48 -","8","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.1938","0.0916","","","0.1546","0.19","","","","","","1.012","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205827","17.0151","0.0003","17.0151","0.0003","56.2326","0.0017","90","","90","","120","","14099","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Gd9 N12 O44 -","- C72 H37 Gd9 N12 O44 -","- C432 H222 Gd54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.033","0.0325","","","0.0934","0.0938","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205828","17.0615","0.0004","17.0615","0.0004","56.505","0.003","90","","90","","120","","14244.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Eu9 N12 O44 -","- C72 H37 Eu9 N12 O44 -","- C432 H222 Eu54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.0446","0.0432","","","0.1224","0.1237","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205829","8.5848","0.0014","15.017","0.002","10.518","0.0016","90","","101.338","0.003","90","","1329.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N6 S4 -","- C22 H26 Cu2 N6 S4 -","- C44 H52 Cu4 N12 S8 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0627","0.042","","","0.0941","0.1032","","","","","","0.975","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205830","15.7586","0.001","13.6737","0.0009","33.957","0.002","90","","100.383","0.001","90","","7197.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H144 I22 N12 O2 Pb6 -","- C96 H144 I22 N12 O2 Pb6 -","- C192 H288 I44 N24 O4 Pb12 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.131","0.0596","","","0.1359","0.1585","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205831","26.592","0.0013","11.1777","0.0005","16.1137","0.0008","90","","110.993","0.001","90","","4471.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Ag I3 N2 -","- C18 H26 Ag I3 N2 -","- C144 H208 Ag8 I24 N16 -","8","1","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0325","0.0257","","","0.0622","0.0651","","","","","","1.044","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205832","12.608","0.0007","9.7404","0.0005","25.4217","0.0014","90","","96.403","0.001","90","","3102.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cu4 N8 S6 -","- C24 H26 Cu4 N8 S6 -","- C96 H104 Cu16 N32 S24 -","4","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0249","0.0223","","","0.0563","0.0574","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205833","7.6036","0.0001","8.548","0.0001","13.8275","0.0002","90","","90.3164","0.0007","90","","898.71","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N8 O4 -","- C12 H28 N8 O4 -","- C24 H56 N16 O8 -","2","0.5","","Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","The azide anion as a building block in crystal engineering from a charge density point of view","CrystEngComm","2011","13","8","2930","","10.1039/c0ce00859a","","","0.71073","MoKα","","0.074","0.0401","","","0.1021","0.1222","","","","","","1.005","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205834","11.6608","0.0006","39.3981","0.0019","24.4617","0.0012","90","","101.297","0.003","90","","11020.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cl0 Mn4 N0 O20 -","- C50 H56 Mn4 O20 -","- C400 H448 Mn32 O160 -","8","1","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0628","0.0574","","","0.1828","0.1885","","","","","","0.991","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205835","9.324","0.004","9.821","0.004","16.303","0.007","87.715","0.012","77.376","0.013","72.201","0.009","1386.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 Mn3 N0 O18 -","- C54 H64 Mn3 O18 -","- C54 H64 Mn3 O18 -","1","0.5","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0725","0.0534","","","0.1303","0.1436","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205836","5.354","0.0011","18.372","0.004","6.8327","0.0014","90","","113.85","0.03","90","","614.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-Triazole_Succinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.1311","0.0566","","","0.0782","0.0886","","","","","","1.179","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205837","5.269","0.0011","18.18","0.004","6.554","0.0013","90","","111.89","0.03","90","","582.5","0.2","12","2","12","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-TriazoleSuccinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.0708","0.0516","","","0.1091","0.1146","","","","","","1.134","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205838","16.713","0.003","21.571","0.003","26.609","0.004","90","","105.28","0.002","90","","9254","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 Co3 N6 O20 -","- C84 H64 Co3 N6 O20 -","- C336 H256 Co12 N24 O80 -","4","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1169","0.0613","","","0.1697","0.1901","","","","","","0.968","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205839","10.736","0.006","11.514","0.006","13.49","0.007","83.963","0.007","77.484","0.006","63.637","0.005","1458.5","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 Ni O8 -","- C30 H32 N2 Ni O8 -","- C60 H64 N4 Ni2 O16 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1324","0.0716","","","0.165","0.1998","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205840","10.1829","0.0015","11.9666","0.0018","12.957","0.002","86.208","0.002","71.776","0.002","64.945","0.002","1354.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.26 Co N2 O7.63 -","- C29 H29.258 Co N2 O7.629 -","- C58 H58.516 Co2 N4 O15.258 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.0852","0.054","","","0.1435","0.1832","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205841","7.66","0.003","10.26","0.004","12.88","0.005","110.07","0.005","93.73","0.005","105.24","0.005","903.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N2 O4 Zn -","- C21 H16 N2 O4 Zn -","- C42 H32 N4 O8 Zn2 -","2","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0574","0.0466","","","0.1251","0.1337","","","","","","1.124","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205842","35.298","0.003","11.5573","0.0011","21.1145","0.0019","90","","96.523","0.001","90","","8557.9","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 N8 O16 Zn4 -","- C88 H80 N8 O16 Zn4 -","- C352 H320 N32 O64 Zn16 -","4","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.1378","0.0636","","","0.1432","0.1655","","","","","","1.017","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205843","32.8723","0.0016","32.8723","0.0016","8.4085","0.0008","90","","90","","120","","7868.8","0.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H12 N6 O5 Zn2 -","- C13 H12 N6 O5 Zn2 -","- C234 H216 N108 O90 Zn36 -","18","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0386","0.0288","","","0.0735","0.077","","","","","","1.076","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205844","32.207","0.006","13.378","0.003","15.871","0.003","90","","91.05","0.03","90","","6837","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cd3 N6 O15.5 -","- C56 H54 Cd3 N6 O15.5 -","- C224 H216 Cd12 N24 O62 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0899","0.063","","","0.1672","0.1826","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205845","11.64","0.002","20.436","0.004","9.7263","0.0019","90","","90","","90","","2313.6","0.8","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H30 N4 O4 Zn -","- C24 H29 N4 O4 Zn -","- C96 H116 N16 O16 Zn4 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0576","0.0509","","","0.1194","0.1234","","","","","","1.055","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205846","16.91","0.003","5.8674","0.0012","17.368","0.003","90","","108.49","0.03","90","","1634.3","0.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Cd N2 O5 -","- C16 H20 Cd N2 O5 -","- C64 H80 Cd4 N8 O20 -","4","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0333","0.0266","","","0.0644","0.0656","","","","","","1.098","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205847","10.677","0.002","10.741","0.002","12.069","0.002","81.66","0.03","89.72","0.03","68.68","0.03","1274","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N2 O10 Zn -","- C21 H36 N2 O10 Zn -","- C42 H72 N4 O20 Zn2 -","2","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0585","0.0441","","","0.1115","0.1197","","","","","","1.047","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205848","11.682","0.002","15.1662","0.0015","15.468","0.002","96.085","0.002","109.65","0.003","90.622","0.002","2563.2","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Co2 N8 O20 -","- C48 H34 Co2 N8 O20 -","- C96 H68 Co4 N16 O40 -","2","1","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0755","0.0592","","","0.1391","0.1443","","","","","","1.095","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205849","11.145","0.0015","12.424","0.002","22.18","0.0012","102.016","0.002","103.475","0.003","95.419","0.002","2888","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0825","0.0538","","","0.1111","0.1171","","","","","","1.02","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205850","11.0396","0.0013","12.511","0.0016","22.498","0.002","101.492","0.002","102.416","0.003","95.975","0.002","2938.6","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.079","0.0547","","","0.1132","0.1187","","","","","","1.046","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205851","11.2397","0.0008","12.4964","0.0009","22.302","0.0016","102.114","0.001","103.41","0.002","95.597","0.001","2943.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0572","0.0373","","","0.085","0.0897","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205852","11.1668","0.0011","12.4554","0.0012","22.2593","0.0015","101.986","0.001","103.319","0.002","95.548","0.001","2912.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0629","0.0438","","","0.1045","0.1095","","","","","","1.088","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205853","17.4216","0.001","10.6092","0.0006","7.4959","0.0004","90","","90","","90","","1385.46","0.13","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H10 Ba N2 O8 -","- C12 H11 Ba N2 O8 -","- C48 H44 Ba4 N8 O32 -","4","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0387","0.0389","","","","","","1.173","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205854","13.831","0.002","13.831","0.002","27.458","0.008","90","","90","","90","","5252.6","1.9","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C192 H128 Cu16 N32 O112 -","16","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.059","0.0403","","","0.1102","0.1223","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205855","14.0543","0.0003","6.1624","0.0002","15.0156","0.0005","90","","111.797","0.001","90","","1207.5","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","2","magnesium naproxen monohydrate","","- C28 H28 Mg O7 -","- C28 H28 Mg O7 -","- C56 H56 Mg2 O14 -","2","1","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","","","0.71073","MoKα","","0.0593","0.0438","","","0.0838","0.0914","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205856","43.6732","0.0037","5.88876","0.00052","5.14629","0.00039","90","","90","","90","","1323.53","0.19","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Mg O10 -","- C28 H26 Mg O10 -","- C56 H52 Mg2 O20 -","2","0.5","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0253","","1.71","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205857","9.159","0.003","10.311","0.003","10.797","0.003","69.736","0.008","82.11","0.012","87.822","0.011","947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","1","0.5","","Wu, Xiao-Yuan; Dong, Ping; Yu, Rongmin; Zhang, Qi-Kai; Kuang, Xiaofei; Chen, Shan-Ci; Lin, Qi-Pu; Lu, Can-Zhong","A 2D polyoxometalate-based complex: spin-canting and metamagnetism","CrystEngComm","2011","13","11","3686","","10.1039/c0ce00905a","","","0.71073","MoKα","","0.0461","0.0344","","","0.0958","0.1353","","","","","","1.157","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205858","29.394","0.016","5.317","0.002","18.588","0.01","90","","118.972","0.007","90","","2542","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N3 O2 -","- C14 H8 Cu2 N3 O2 -","- C112 H64 Cu16 N24 O16 -","8","1","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0587","0.0437","","","0.1091","0.1276","","","","","","1.091","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205859","20.435","0.003","4.9321","0.0004","15.875","0.002","90","","105.577","0.005","90","","1541.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu2 N4 O5 -","- C14 H14 Cu2 N4 O5 -","- C56 H56 Cu8 N16 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0672","0.0534","","","0.1552","0.1672","","","","","","1.073","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205860","6.8023","0.0011","12.19","0.002","14.598","0.002","79.24","0.001","77.46","0.003","80.735","0.002","1151.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 Nd O12 -","- C20 H18 Ag N6 Nd O12 -","- C40 H36 Ag2 N12 Nd2 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0391","0.0384","","","0.1036","0.1045","","","","","","1.023","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205861","6.77","0.003","12.168","0.006","14.601","0.007","79.594","0.017","77.637","0.017","80.502","0.018","1145.5","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","(EuAg(L01)2(H2O)4)","","","- C20 H18 Ag Eu N6 O12 -","- C20 H18 Ag Eu N6 O12 -","- C40 H36 Ag2 Eu2 N12 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0309","0.0279","","","0.069","0.0699","","","","","","1.087","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205862","6.755","0.003","12.104","0.004","14.524","0.005","79.526","0.013","77.666","0.014","80.439","0.015","1130.7","0.7","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 O12 Tb -","- C20 H18 Ag N6 O12 Tb -","- C40 H36 Ag2 N12 O24 Tb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0262","0.022","","","0.0536","0.0543","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205863","14.4621","0.001","17.0741","0.0011","9.1373","0.0006","90","","115.425","0.001","90","","2037.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 Nd O8 -","- C20 H10 Ag N6 Nd O8 -","- C80 H40 Ag4 N24 Nd4 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0282","0.0273","","","0.0789","0.0798","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205864","14.358","0.005","16.949","0.006","9.127","0.003","90","","115.676","0.015","90","","2001.8","1.2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag Eu N6 O8 -","- C20 H10 Ag Eu N6 O8 -","- C80 H40 Ag4 Eu4 N24 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0168","0.0162","","","0.0404","0.0406","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205865","14.326","0.005","16.855","0.006","9.095","0.004","90","","115.654","0.017","90","","1979.6","1.3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 O8 Tb -","- C20 H10 Ag N6 O8 Tb -","- C80 H40 Ag4 N24 O32 Tb4 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0204","0.02","","","0.0492","0.0494","","","","","","1.1","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205866","7.58","0.002","9.975","0.003","14.591","0.006","92.161","0.014","92.42","0.013","109.51","0.012","1037.4","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag Er N6 O10 -","- C20 H14 Ag Er N6 O10 -","- C40 H28 Ag2 Er2 N12 O20 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0205","0.0192","","","0.0474","0.0477","","","","","","1.159","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205867","7.55","0.002","9.951","0.004","14.564","0.005","92.128","0.016","92.46","0.013","109.383","0.015","1029.7","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag N6 O10 Yb -","- C20 H14 Ag N6 O10 Yb -","- C40 H28 Ag2 N12 O20 Yb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0226","0.0214","","","0.0521","0.0524","","","","","","1.133","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205868","17.401","0.013","12.226","0.008","5.324","0.004","90","","106.19","0.011","90","","1087.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Gd K Mo3 O12 -","- Ba Gd K Mo3 O12 -","- Ba4 Gd4 K4 Mo12 O48 -","4","0.5","","Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure","CrystEngComm","2011","13","12","4069","","10.1039/c0ce00922a","","","0.71073","MoKα","","0.0203","0.019","","","0.0468","0.0474","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205869","16.0731","0.0006","5.4794","0.0002","21.8203","0.0008","90","","108.287","0.002","90","","1824.68","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Ag3 N8 O12 Tb -","- C32 H26 Ag3 N8 O12 Tb -","- C64 H52 Ag6 N16 O24 Tb2 -","2","0.5","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","3861","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0496","0.0388","","","0.0863","0.0913","","","","","","1.012","","","","has coordinates","180548","2020-10-21","18:00:00",""
"7205870","8.8964","0.0009","12.3459","0.0013","13.86","0.0014","72.95","0.001","84.272","0.001","71.648","0.001","1381.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Ag2 Eu N6 O9 -","- C26 H19 Ag2 Eu N6 O9 -","- C52 H38 Ag4 Eu2 N12 O18 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0418","0.0352","","","0.079","0.0832","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205871","15.993","0.002","5.3401","0.0007","18.709","0.002","90","","101.289","0.002","90","","1566.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 Er N8 O8 -","- C32 H20 Br Cu2 Er N8 O8 -","- C64 H40 Br2 Cu4 Er2 N16 O16 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0342","0.0295","","","0.0634","0.0655","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205872","16.1117","0.0014","5.3028","0.0005","18.7099","0.0017","90","","101.111","0.001","90","","1568.6","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 N8 O8 Yb -","- C32 H20 Br Cu2 N8 O8 Yb -","- C64 H40 Br2 Cu4 N16 O16 Yb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0335","0.0307","","","0.0679","0.0692","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205873","9.742","0.003","12.158","0.003","12.383","0.003","61.15","0.003","76.851","0.003","82.676","0.004","1250.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Ag N6 O8 Tb -","- C25 H15 Ag N6 O8 Tb -","- C50 H30 Ag2 N12 O16 Tb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0669","0.0524","","","0.1244","0.1338","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205874","23.261","0.004","13.8565","0.0019","24.237","0.004","90","","106.222","0.002","90","","7501","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H85 Br6 Cl4 Cu7 N17 O9 -","- C50 H54 Br6 Cl4 Cu7 N17 O9 -","- C200 H216 Br24 Cl16 Cu28 N68 O36 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.1055","0.0923","","","0.1666","0.1729","","","","","","1.147","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205875","24.3342","0.0013","22.3283","0.0012","14.4168","0.0008","90","","90","","90","","7833.2","0.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H96 Br6 Cl4 Cu7 N20 O12 -","- C48 H68 Br6 Cl4 Cu7 N18 O10 -","- C192 H272 Br24 Cl16 Cu28 N72 O40 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1261","0.1417","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205876","16.4547","0.0004","16.4547","0.0004","27.7701","0.0014","90","","90","","120","","6511.6","0.4","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H15 Cu4 I4 N6 -","- C12 H15 Cu4 I4 N6 -","- C144 H180 Cu48 I48 N72 -","12","0.333333","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0389","0.0317","","","0.0732","0.0761","","","","","","0.993","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205877","14.8878","0.0006","15.1363","0.0006","23.6357","0.0009","90","","90","","90","","5326.2","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cu4 I4 N8 -","- C16 H20 Cu4 I4 N8 -","- C128 H160 Cu32 I32 N64 -","8","1","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0518","0.0366","","","0.0826","0.0908","","","","","","1.018","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205878","23.253","0.006","7.6111","0.0019","14.573","0.004","90","","90","","90","","2579.1","1.2","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H5 Cd Cl N8 -","- C8 H5 Cd Cl N8 -","- C32 H20 Cd4 Cl4 N32 -","4","0.25","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0604","0.0538","","","0.1459","0.1493","","","","","","0.994","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205879","8.7396","0.0014","9.1057","0.0015","10.0556","0.0016","74.388","0.002","82.547","0.002","77.733","0.002","750.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","1","0.5","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0243","0.0201","","","0.0496","0.0518","","","","","","1.104","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205880","13.3278","0.0017","8.2658","0.001","10.1631","0.0013","90","","97.45","0.002","90","","1110.2","0.2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Mn(H2O))(ClO4))N","","","- C12 H18 Cl2 Mn N2 O16 P2 -","- C12 H18 Cl2 Mn N2 O16 P2 -","- C24 H36 Cl4 Mn2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0893","0.0749","","","0.2358","0.2525","","","","","","1.169","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205881","13.398","0.003","8.2442","0.0019","10.04","0.002","90","","97.348","0.004","90","","1099.9","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2PyCH2PO3Mn(H2O)(ClO4))N","","","- C12 H20 Cl2 Co N2 O16 P2 -","- C12 H20 Cl2 Co N2 O16 P2 -","- C24 H40 Cl4 Co2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0702","0.0486","","","0.1233","0.1396","","","","","","1.042","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205882","11.051","0.003","14.563","0.004","20.651","0.006","90","","92.526","0.006","90","","3320.3","1.6","213","2","213","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","(Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O)","","","- C24 H54 Cl8 Fe4 N4 O53 P4 -","- C24 H52 Cl8 Fe4 N4 O53 P4 -","- C48 H104 Cl16 Fe8 N8 O106 P8 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0971","0.0666","","","0.1756","0.2009","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205883","23.6196","0.0007","23.6196","0.0007","9.5024","0.0003","90","","90","","120","","4591","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","(((2PyHCH2PO3H)Fe2)(ClO4))n","","","- C18 H24 Cl3 Fe N3 O21 P3 -","- C18 H24 Cl3 Fe N3 O21 P3 -","- C108 H144 Cl18 Fe6 N18 O126 P18 -","6","0.333333","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0664","0.0407","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205884","13.517","0.0008","8.2636","0.0004","10.391","0.0004","90","","97.108","0.004","90","","1151.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Fe(H2O))ClO4)n","","","- C12 H20 Cl2 Fe N2 O16 P2 -","- C12 H20 Cl2 Fe N2 O15.98 P2 -","- C24 H40 Cl4 Fe2 N4 O31.96 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1014","0.0803","","","0.2291","0.2536","","","","","","1.04","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205885","13.9027","0.0019","9.8255","0.0014","7.9178","0.0011","90","","104.871","0.002","90","","1045.4","0.3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((2PyCH2PO3)AgPb(NO3))n","","","- C6 H6 Ag N2 O6 P Pb -","- C6 H6 Ag N2 O6 P Pb -","- C24 H24 Ag4 N8 O24 P4 Pb4 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0557","0.0425","","","0.0993","0.108","","","","","","1.075","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205886","13.144","0.01","9.394","0.008","16.244","0.013","90","","108.812","0.015","90","","1899","3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","((2PyHCH2PO3)Ag3(SO3CF3)2)N","","","- C8 H7 Ag3 F6 N O9 P S2 -","- C8 H7 Ag3 F6 N O9 P S2 -","- C32 H28 Ag12 F24 N4 O36 P4 S8 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1294","0.0446","","","0.0848","0.118","","","","","","1.003","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205887","5.4028","0.0004","10.136","0.0008","11.8724","0.0009","73.613","0.001","84.532","0.001","82.593","0.001","617.36","0.08","213","2","213","2","","","","","","","","6","P -1","-P 1","2","((2PyHCH2PO3H2)Pb(NO3)2)N","","","- C6 H8 N3 O9 P Pb -","- C6 H8 N3 O9 P Pb -","- C12 H16 N6 O18 P2 Pb2 -","2","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0406","0.0366","","","0.0922","0.0955","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205888","7.637","0.0015","14.692","0.003","9.4326","0.0019","90","","98.76","0.03","90","","1046","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0692","0.057","","","0.1414","0.1496","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205889","7.753","0.0016","33.697","0.007","9.3858","0.0019","90","","93.8","0.03","90","","2446.7","0.9","298","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 Hg N6 O2 S2 -","- C20 H18 Cl2 Hg N6 O2 S2 -","- C80 H72 Cl8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0727","0.0565","","","0.1414","0.1514","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205890","7.798","0.005","34.458","0.024","9.449","0.007","90","","94.53","0.005","90","","2531","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","from C:/gsas/MyWork/TTT4-EDITED.CIF","","","- C20 H18 Br2 Hg N6 O2 S2 -","- C20 H18 Br2 Hg N6 O2 S2 -","- C80 H72 Br8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08258","","1.4","","","","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205891","17.4171","0.0018","10.4197","0.0011","8.7144","0.0009","90","","92.169","0.008","90","","1580.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Hg I2 N3 O S -","- C10 H9 Hg I2 N3 O S -","- C40 H36 Hg4 I8 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.1153","0.0681","","","0.1417","0.1616","","","","","","1.106","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205892","14.44","0.004","17.799","0.004","19.906","0.005","92.501","0.004","103.026","0.004","110.987","0.004","4610","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H172 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0642","0.0412","","","0.0863","0.0959","","","","","","1.017","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205893","14.96","0.006","16.918","0.006","21.193","0.008","88.785","0.006","79.214","0.006","72.936","0.005","5034","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H174 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0562","0.0417","","","0.0979","0.1031","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205894","6.0496","0.0013","8.1335","0.0017","19.475","0.004","84.322","0.005","81.261","0.004","89.672","0.005","942.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","1","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0549","0.0521","","","0.129","0.1304","","","","","","1.127","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205895","7.0688","0.0011","7.4648","0.0012","21.049","0.004","90","","96.734","0.004","90","","1103","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 Ni O7 -","- C23 H26 N2 Ni O7 -","- C46 H52 N4 Ni2 O14 -","2","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0558","0.0472","","","0.0992","0.1039","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205896","6.9571","0.0005","7.5601","0.0005","41.523","0.003","90","","93.349","0.001","90","","2180.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N Ni O8.5 -","- C21 H26 N Ni O8.5 -","- C84 H104 N4 Ni4 O34 -","4","2","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0452","0.0422","","","0.0958","0.0971","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205934","10.311","0.0015","14.363","0.002","17.633","0.003","90","","98.889","0.015","90","","2580","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27.5 Co N5 O5.25 -","- C25 H27.5 Co N5 O5.25 -","- C100 H110 Co4 N20 O21 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1042","0.0586","","","0.1279","0.1427","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205935","21.832","0.003","8.627","0.005","25.84","0.004","90","","100.013","0.004","90","","4793","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 N10 O9 Zn2 -","- C50 H52 N10 O9 Zn2 -","- C200 H208 N40 O36 Zn8 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.114","0.0834","","","0.2194","0.2437","","","","","","1.139","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205936","20.8269","0.0004","8.8702","0.0002","26.6257","0.0006","90","","102.073","0.002","90","","4810","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Co2 N10 O9 -","- C50 H52 Co2 N10 O9 -","- C200 H208 Co8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.0887","0.0543","","","0.1407","0.1605","","","","","","1.036","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205937","21.332","0.001","8.884","0.003","26.584","0.006","90","","103.11","0.004","90","","4907","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Cd2 N10 O9 -","- C50 H52 Cd2 N10 O9 -","- C200 H208 Cd8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.1155","0.051","","","0.1127","0.1279","","","","","","0.973","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205938","10.2094","0.0003","14.3216","0.0003","17.7147","0.0005","90","","99.17","0.003","90","","2557.05","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0929","0.0414","","","0.0899","0.0979","","","","","","0.825","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205939","9.617","0.003","10.173","0.005","11.458","0.004","108.033","0.005","97.015","0.003","105.519","0.005","1001","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N3 O5 -","- C20 H18 Cd N3 O5 -","- C40 H36 Cd2 N6 O10 -","2","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0513","0.0299","","","0.0637","0.068","","","","","","0.906","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205940","18.5487","0.0016","9.8461","0.001","13.2847","0.0011","90","","90","","90","","2426.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1305","0.0377","","","0.0398","0.0506","","","","","","0.81","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205941","18.3946","0.0007","9.8739","0.0003","13.2948","0.0005","90","","90","","90","","2414.69","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Co N5 O5 -","- C25 H27 Co N5 O5 -","- C100 H108 Co4 N20 O20 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0876","0.0349","","","0.0436","0.0478","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205942","12.8208","0.0012","9.8968","0.0007","17.2355","0.0015","90","","105.965","0.01","90","","2102.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cd N3 O7 -","- C20 H24 Cd N3 O7 -","- C80 H96 Cd4 N12 O28 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0424","0.0286","","","0.0659","0.0688","","","","","","0.981","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205943","13.7551","0.0007","12.4113","0.0007","16.3819","0.0008","90","","110.267","0.005","90","","2623.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N5 O6 Zn -","- C26 H25 N5 O6 Zn -","- C104 H100 N20 O24 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.146","0.0434","","","0.0563","0.0669","","","","","","0.822","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205944","14.081","0.005","14.731","0.003","22.623","0.004","90","","101.225","0.004","90","","4603","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cd2 N6 O17 -","- C42 H42 Cd2 N6 O17 -","- C168 H168 Cd8 N24 O68 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0695","0.0398","","","0.0876","0.0933","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205945","8.7682","0.001","16.858","0.0019","13.7225","0.0015","90","","94.213","0.002","90","","2022.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu4 I5 N3 -","- C8 H16 Cu4 I5 N3 -","- C32 H64 Cu16 I20 N12 -","4","1","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0268","0.0223","","","0.0486","0.0504","","","","","","1.01","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205946","13.0234","0.0003","13.0234","0.0003","61.997","0.002","90","","90","","120","","9106.5","0.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 Cu7 I8 N4 -","- C12 H25 Cu7 I8 N4 -","- C144 H300 Cu84 I96 N48 -","12","0.333333","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0369","0.0327","","","0.103","0.1049","","","","","","1.1","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205947","9.8839","0.0004","18.237","0.0008","18.0818","0.0008","90","","90","","90","","3259.3","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cobalt(ii) formate DEF solvate","","","- C12 H12 Co6 O24 -","- C12 H12 Co6 O24 -","- C48 H48 Co24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0595","0.0405","","","0.0901","0.0956","","","","","","0.968","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205948","9.8715","0.0009","18.2678","0.0015","18.1613","0.0016","90","","90","","90","","3275","0.5","213","2","213","2","","","","","","","","4","P b c n","-P 2n 2ab","60","magnesium(ii) formate DEF solvate","","","- C12 H12 Mg6 O24 -","- C12 H12 Mg6 O24 -","- C48 H48 Mg24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0708","0.0471","","","0.1081","0.116","","","","","","0.966","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205949","9.868","0.0004","18.2476","0.0008","18.14","0.0008","90","","90","","90","","3266.4","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Zinc(ii) formate DEF solvate","","","- C12 H12 O24 Zn6 -","- C12 H12 O24 Zn6 -","- C48 H48 O96 Zn24 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0336","0.0298","","","0.0832","0.0849","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205950","27.198","0.005","13.261","0.003","13.222","0.003","90","","90","","90","","4768.8","1.8","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H58 Br8 Cd3 N10 O13 S4 -","- C18 H48 Br8 Cd3 N10 O13 S4 -","- C72 H192 Br32 Cd12 N40 O52 S16 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0558","0.0435","","","0.1119","0.1167","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205951","4.2002","0.0008","20.158","0.004","12.441","0.003","90","","96.58","0.03","90","","1046.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 Cd I N2 O S2 -","- C4 H7 Cd I N2 O S2 -","- C16 H28 Cd4 I4 N8 O4 S8 -","4","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0254","0.0211","","","0.0412","0.0423","","","","","","1.038","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205952","14.791","0.004","14.791","0.004","5.696","0.003","90","","90","","90","","1246.1","0.8","295","2","295","2","","","","","","","","6","P 42","P 4c","77","","","","- C5 H10 Mn2 N O12 P2 -","- C5 H10 Mn2 N O12 P2 -","- C20 H40 Mn8 N4 O48 P8 -","4","1","","Dong, Da-Peng; Sun, Zhen-Gang; Tong, Fei; Zhu, Yan-Yu; Chen, Kai; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Wang, Wei-Nan","Synthesis, structure, surface photovoltage and magnetic properties of a novel 3D homochiral manganese phosphonate with right-handed helical chains","CrystEngComm","2011","13","10","3317","","10.1039/c1ce05053b","","","0.71073","MoKα","","0.048","0.0356","","","0.0738","0.0787","","","","","","1.05","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205953","10.628","0.002","35.255","0.007","15.059","0.003","90","","110.5","0.03","90","","5285","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cu4 N8 O12 S3 -","- C52 H40 Cu4 N8 O12 S3 -","- C208 H160 Cu16 N32 O48 S12 -","4","0.5","","Deng, Zhao-Peng; Zhu, Zhi-Biao; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","The first in situ organosulfonate-templated 3-fold interpenetrating framework built from rare tetrahedral [Cu4(μ4-SO4)] SBUs","CrystEngComm","2011","13","11","3895","","10.1039/c1ce05059a","","","0.71073","MoKα","","0.0854","0.0698","","","0.1832","0.1977","","","","","","1.043","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205954","11.536","0.0004","12.945","0.0006","14.784","0.0006","75.239","0.004","71.308","0.003","67.165","0.004","1905.77","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0924","0.0705","","","0.1958","0.2063","","","","","","1.029","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205955","11.5322","0.0003","12.9295","0.0006","14.7825","0.0006","75.286","0.004","71.406","0.003","67.39","0.003","1906.66","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0895","0.0699","","","0.1852","0.194","","","","","","1.026","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205956","11.684","0.001","17.636","0.0014","25.363","0.002","96.332","0.001","98.081","0.0011","101.984","0.0011","5008.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Ag6 N24 O74 P2 W18 -","- C36 H36 Ag6 N24 O74 P2 W18 -","- C72 H72 Ag12 N48 O148 P4 W36 -","2","1","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0959","0.0574","","","0.1397","0.1787","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205957","10.414","0.003","10.461","0.003","10.556","0.003","72.438","0.004","74.048","0.004","78.329","0.003","1045.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0754","0.0623","","","0.1838","0.2004","","","","","","1.073","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205958","17.322","0.002","17.322","0.002","27.263","0.006","90","","90","","90","","8180","2","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C95 H105 Cd4 N22 O46 -","- C77 H52 Cd4 N16 O20 -","- C154 H104 Cd8 N32 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0598","0.0571","","","0.1646","0.1669","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205959","17.322","0.002","17.322","0.002","23.419","0.005","90","","90","","90","","7026.9","1.9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C99.5 H120.5 Cd4 N15.5 O35.5 -","- C77 H52 Cd4 N8 O20 -","- C154 H104 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0616","0.0601","","","0.1674","0.1687","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205960","17.433","0.005","17.433","0.005","16.137","0.007","90","","90","","90","","4904","3","293","2","293","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C134 H185 Cd4 N19 O51 -","- C101 H68 Cd4 N8 O20 -","- C101 H68 Cd4 N8 O20 -","1","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0636","0.0606","","","0.168","0.171","","","","","","1.071","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205961","17.3376","0.0008","17.3376","0.0008","27.957","0.002","90","","90","","90","","8403.7","0.8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C109 H134 Cd4 N16 O33 -","- C85 H68 Cd4 N8 O20 -","- C170 H136 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.1002","0.0978","","","0.2602","0.2617","","","","","","1.056","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205962","6.3854","0.0009","8.8391","0.0012","26.129","0.005","90","","90","","90","","1474.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Ag N4 O6 -","- C13 H11 Ag N4 O6 -","- C52 H44 Ag4 N16 O24 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0961","0.0484","","","0.0769","0.0921","","","","","","1.019","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205963","7.55","0.001","10.075","0.0011","12.7547","0.0017","89.399","0.01","80.098","0.011","71.088","0.01","903.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Cl N5 O9 -","- C13 H10 Ag2 Cl N5 O9 -","- C26 H20 Ag4 Cl2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0433","0.0313","","","0.0706","0.0767","","","","","","1.042","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205964","7.5949","0.0009","10.1026","0.0014","12.8377","0.0016","89.295","0.01","79.941","0.011","70.855","0.01","915.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Br N5 O9 -","- C13 H10 Ag2 Br N5 O9 -","- C26 H20 Ag4 Br2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0802","0.0407","","","0.0692","0.0806","","","","","","1.006","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205965","7.4597","0.0007","8.0105","0.0006","13.5106","0.001","88.204","0.007","86.411","0.008","80.948","0.008","795.53","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag I N4 O6 -","- C13 H10 Ag I N4 O6 -","- C26 H20 Ag2 I2 N8 O12 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0293","0.0271","","","0.0679","0.0695","","","","","","1.052","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205966","13.106","0.003","10.729","0.0018","13.434","0.002","90","","106.41","0.02","90","","1812.1","0.6","295","2","295","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C15 H14 Ag B Br F4 N3 O3.5 -","- C15 H14 Ag B Br F4 N3 O3.5 -","- C60 H56 Ag4 B4 Br4 F16 N12 O14 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.1247","0.0549","","","0.0876","0.1082","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205967","9.8556","0.0012","10.8736","0.0014","15.375","0.002","92.219","0.009","95.523","0.009","94.117","0.01","1634.1","0.4","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0853","0.0459","","","0.09","0.1044","","","","","","1.013","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205968","11.6037","0.0019","11.6541","0.0016","13.053","0.003","73.417","0.013","77.433","0.014","72.924","0.013","1599.8","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0542","0.0507","","","0.1381","0.1425","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205969","11.6733","0.001","12.0649","0.0008","12.8161","0.0019","77.832","0.011","74.406","0.01","74.254","0.008","1654.7","0.3","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0519","0.0429","","","0.0999","0.1059","","","","","","1.068","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205970","13.8954","0.0015","13.8954","0.0015","17.787","0.002","90","","90","","90","","3434.4","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H28 In N0 O8 -","- C20 H28 In O8 -","- C80 H112 In4 O32 -","4","0.5","","Wang, Liping; Song, Tianyou; Huang, Liangliang; Xu, Jianing; Li, Chao; Ji, Caixia; Shan, Liang; Wang, Li","A porous chiral In-MOF with anionic-type diamond network: synthesis, structure and nitrogen gas adsorption","CrystEngComm","2011","13","12","4005","","10.1039/c1ce05110e","","","0.71073","MoKα","","0.1052","0.0658","","","0.176","0.1867","","","","","","0.932","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205971","11.5278","0.0015","12.7865","0.0015","15.6274","0.0017","65.755","0.009","74.11","0.009","65.063","0.009","1890.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl N5 Ni2 O12 -","- C36 H40 Cl N5 Ni2 O12 -","- C72 H80 Cl2 N10 Ni4 O24 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1276","0.0585","","","0.0768","0.0894","","","","","","0.93","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205972","11.6795","0.0012","12.8729","0.0014","15.7482","0.0019","66.151","0.009","73.257","0.009","64.351","0.008","1933.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N5 Ni2 O8 P -","- C36 H40 F6 N5 Ni2 O8 P -","- C72 H80 F12 N10 Ni4 O16 P2 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1366","0.0603","","","0.0821","0.0964","","","","","","0.892","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205973","13.7451","0.0005","14.0632","0.0005","22.8343","0.0009","90","","95.607","0.003","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl N5 Ni2 O13 -","- C45 H44 Cl N5 Ni2 O13 -","- C180 H176 Cl4 N20 Ni8 O52 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0755","0.0476","","","0.0971","0.106","","","","","","1.016","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205974","14.8436","0.0013","15.6993","0.0012","17.3575","0.0013","97.492","0.006","97.828","0.007","91.792","0.007","3968","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl3 N11 Ni4 O28 -","- C72 H84 Cl3 N11 Ni4 O28 -","- C144 H168 Cl6 N22 Ni8 O56 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1251","0.0563","","","0.0828","0.0961","","","","","","0.899","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205975","13.8843","0.0008","23.6202","0.001","14.7348","0.0008","90","","114.441","0.004","90","","4399.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl N5 Ni2 O12 -","- C44 H48 Cl N5 Ni2 O12 -","- C176 H192 Cl4 N20 Ni8 O48 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0984","0.0662","","","0.1716","0.1897","","","","","","1.035","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205976","10.9775","0.0009","12.3684","0.0009","12.8226","0.001","63.924","0.005","69.868","0.006","79.319","0.006","1467","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H62 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","1","0.5","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0813","0.0484","","","0.1062","0.1153","","","","","","0.924","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205977","7.4463","0.0005","16.4541","0.0016","25.4253","0.0016","90","","90","","90","","3115.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Au Cr N8 O4 S4 -","- C23 H26 Au Cr N8 O4 S4 -","- C92 H104 Au4 Cr4 N32 O16 S16 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1246","0.0552","","","0.0623","0.0786","","","","","","0.701","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205978","14.6905","0.0008","8.0472","0.0004","15.8688","0.0002","90","","112.929","0.007","90","","1727.74","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Be3 N2 O12 P4 -","- C4 H20 Be3 N2 O12 P4 -","- C16 H80 Be12 N8 O48 P16 -","4","0.5","","Luo, Xiuchao; Luo, Daibing; Gong, Maochu; Chen, Yaoqiang; Lin, Zhien","(C2H8N)2[Be3(HPO3)4]: a low-density beryllium phosphite with large 16-membered rings and helical channels","CrystEngComm","2011","13","11","3646","","10.1039/c1ce05117b","","","0.71073","MoKα","","0.0486","0.0398","","","0.0896","0.0939","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205979","8.0951","0.0012","12.3444","0.0018","15.87","0.002","108.903","0.003","94.498","0.003","102.542","0.002","1445.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Ag F6 N4 O2 P -","- C27 H36 Ag F6 N4 O2 P -","- C54 H72 Ag2 F12 N8 O4 P2 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0983","0.056","","","0.1384","0.1667","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205980","11.475","0.003","17.199","0.005","19.604","0.004","90","","117.849","0.012","90","","3420.9","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Hg2 I4 N4 O2 S -","- C24 H32 Hg2 I4 N4 O2 S -","- C96 H128 Hg8 I16 N16 O8 S4 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1002","0.0807","","","0.192","0.2077","","","","","","1.002","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205981","20.465","0.006","11.488","0.004","19.833","0.009","90","","115.192","0.004","90","","4219","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C120 H184 Cu4 Hg4 I16 N16 O12 S8 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1232","0.0753","","","0.1843","0.2161","","","","","","1.059","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205982","13.4814","0.0009","15.3581","0.0011","19.0334","0.0013","90","","90","","90","","3940.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hg2 I6 N4 O -","- C26 H36 Hg2 I6 N4 O -","- C104 H144 Hg8 I24 N16 O4 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0382","0.0283","","","0.0627","0.0679","","","","","","0.981","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205983","11.51","0.002","11.811","0.002","15.423","0.003","84.823","0.003","87.271","0.003","81.578","0.003","2064.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Hg2 I3 N4 O4.5 -","- C36 H37 Hg2 I3 N4 O4.5 -","- C72 H74 Hg4 I6 N8 O9 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0801","0.0618","","","0.1653","0.1789","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205984","13.5458","0.0008","18.2469","0.0011","16.9521","0.001","90","","111.154","0.001","90","","3907.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C108 H132 Hg8 I16 N16 O10 S2 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0497","0.0331","","","0.0859","0.0931","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205985","10.0498","0.0011","10.5779","0.0008","11.5045","0.0008","90","","92.026","0.004","90","","1222.23","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Fluorobenzoic acid‒4-acetylpyridine (1/1)","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","","0.035","","","","0.0986","","","","","","1.046","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205986","10.0714","0.0015","10.6513","0.0012","11.632","0.0013","90","","91.677","0.005","90","","1247.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0863","0.0399","","","","0.117","","","","","","1.029","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205987","7.92","0.0011","6.9633","0.0009","21.918","0.004","90","","95.337","0.005","90","","1203.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0622","0.0405","","","","0.1084","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205988","8.0544","0.0012","6.942","0.001","22.058","0.004","90","","95.99","0.007","90","","1226.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.087","0.0459","","","","0.1314","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205989","10.046","0.002","10.573","0.002","11.461","0.002","90","","91.16","0.02","90","","1217.1","0.4","30","2","30","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0743","0.0743","","","","0.1865","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205990","10.105","0.004","10.734","0.004","11.806","0.004","90","","91.08","0.03","90","","1280.3","0.8","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0952","0.0952","","","","0.2415","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205991","7.9892","0.0015","6.9703","0.0014","21.947","0.004","90","","95.67","0.012","90","","1216.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0962","0.0962","","","","0.2423","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205992","8.2118","0.0011","5.068","0.0007","38.683","0.005","90","","93.264","0.006","90","","1607.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:azelaic acid","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1217","0.088","","","0.1995","0.225","","","","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205993","8.2223","0.0005","5.1437","0.0003","33.389","0.002","90","","93.873","0.003","90","","1408.9","0.15","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.0901","0.0557","","","0.1184","0.1337","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205994","8.9413","0.0015","9.5366","0.0013","10.1347","0.0017","86.653","0.011","66.031","0.007","66.571","0.01","719.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Isonicotinamide:suberic acid","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C28 H40 N4 O10 -","2","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1055","0.0724","","","0.1604","0.1837","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205995","11.8722","0.0004","12.9955","0.0004","8.1575","0.0002","90","","90","","90","","1258.58","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H4 Cl2 Cs2 N2 O5 -","- C7 H4 Cl2 Cs2 N2 O5 -","- C28 H16 Cl8 Cs8 N8 O20 -","4","0.5","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","0.71073","MoKα","","","0.0579","","","","0.1652","","","","","","0.879","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205996","9.3773","0.0004","9.3823","0.0004","9.9299","0.0004","93.075","0.003","97.838","0.003","118.98","0.004","749.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 Cs O9 -","- C9 H8 Cl3 Cs O9 -","- C18 H16 Cl6 Cs2 O18 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.024","","","","0.0637","","","","","","1.033","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205997","9.8219","0.0002","7.0831","0.0002","19.955","0.0004","90","","90.85","0.002","90","","1388.11","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N4 Na O6 -","- C8 H9 Cl2 N4 Na O6 -","- C32 H36 Cl8 N16 Na4 O24 -","4","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","1.54184","CuKα","","","0.046","","","","0.1223","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205998","9.2357","0.0004","9.2416","0.0004","9.8443","0.0004","92.646","0.003","98.035","0.003","118.378","0.004","725.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 O9 Rb -","- C9 H8 Cl3 O9 Rb -","- C18 H16 Cl6 O18 Rb2 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.0547","","","","0.1583","","","","","","1.067","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205999","29.2672","0.0013","6.2707","0.0002","7.4449","0.0002","90","","95.612","0.004","90","","1359.78","0.08","290","","290","","","","","","","","","5","C 1 2 1","C 2y","5","anilinium sulphate","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.0515","0.0476","","","0.1187","0.1223","","","","1.72","1.72","1.68","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206000","9.412","0.0009","9.0979","0.0007","17.819","0.002","90","","98.053","0.01","90","","1510.8","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Anilinium(1+) selenate dihydrate","","","- C12 H20 N2 O6 Se -","- C12 H20 N2 O6 Se -","- C48 H80 N8 O24 Se4 -","4","0.5","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","0.71073","MoKα","","0.1328","0.0473","","","0.097","0.1133","","","","1.27","1.27","0.92","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206001","29.1811","0.0006","6.3632","0.0001","7.5091","0.0002","90","","94.993","0.002","90","","1389.04","0.05","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","Anilinium(1+) selenate","","","- C12 H16 N2 O4 Se -","- C12 H16 N2 O4 Se -","- C48 H64 N8 O16 Se4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.019","0.0188","","","0.063","0.0631","","","","1.54","1.54","1.54","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206002","13.3163","0.0017","18.059","0.002","21.255","0.003","90","","99.7","0.002","90","","5038.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Fe3 N4 O16 -","- C48 H46 Fe3 N4 O16 -","- C192 H184 Fe12 N16 O64 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.1077","0.0673","","","0.171","0.1974","","","","","","1.017","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206003","11.378","0.005","19.106","0.009","12.234","0.004","90","","121.14","0.03","90","","2276.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N4 Ni3 O14 -","- C46 H46 N4 Ni3 O14 -","- C92 H92 N8 Ni6 O28 -","2","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.0957","0.0757","","","0.19","0.2063","","","","","","1.063","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206004","14.6443","0.0014","21.746","0.002","27.654","0.003","90","","95.693","0.005","90","","8763.1","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C182 H202 Ag12 N62 O170 P4 W48 -","4","1","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1031","0.0492","","","0.1046","0.1187","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206005","12.0111","0.0006","13.577","0.0007","22.5735","0.0012","81.18","0.004","78.714","0.004","73.423","0.004","3441.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1287","0.0579","","","0.083","0.0983","","","","","","1.008","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206006","12.3099","0.0014","13.3727","0.0008","13.3738","0.0008","112.618","0.001","97.849","0.001","106.18","0.001","1876.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.074","0.0727","","","0.1919","0.1924","","","","","","1.088","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206007","26.82","0.001","26.82","0.001","15.528","0.001","90","","90","","120","","9673.1","0.8","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.1002","0.0793","","","0.2501","0.2601","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206008","26.903","0.002","26.903","0.002","15.43","0.001","90","","90","","120","","9671.6","1.2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.05","0.0337","","","0.0822","0.0872","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206009","8.8432","0.0011","18.133","0.002","10.7628","0.0013","90","","111.47","0.003","90","","1606.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 N6 O2 -","- C38 H46 N6 O2 -","- C76 H92 N12 O4 -","2","0.5","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0867","0.0413","","","0.0588","0.0696","","","","","","0.806","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206010","7.1366","0.0004","10.9517","0.0006","33.5506","0.0018","90","","94.278","0.001","90","","2614.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O5 S -","- C28 H34 N4 O5 S -","- C112 H136 N16 O20 S4 -","4","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0823","0.0418","","","0.0655","0.0748","","","","","","0.826","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206011","6.9772","0.0004","10.5977","0.0006","17.178","0.0009","93.904","0.001","90.393","0.001","104.403","0.001","1227.03","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C56 H64 N8 O8 -","2","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0626","0.0397","","","0.0926","0.1005","","","","","","0.911","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206012","19.666","0.003","10.4447","0.0015","13.887","0.007","90","","122.89","0.02","90","","2395.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(C10H9.50N3O6.25)","Mn(C10H9.50N3O6.25)","","- C10 H9.5 Mn N3 O6.25 -","- C10 H9 Mn N3 O6.25 -","- C80 H72 Mn8 N24 O50 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0267","0.0246","","","0.0612","0.0627","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206013","18.895","0.004","8.0248","0.0016","17.604","0.004","90","","120.8","0.03","90","","2292.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(H2O)(C10H5N3O4)","Mn(H2O)(C10H5N3O4)","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C80 H56 Mn8 N24 O40 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0702","0.0634","","","0.1697","0.1735","","","","","","0.991","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206014","10.446","0.003","16.862","0.002","7.3912","0.0015","90","","96.063","0.019","90","","1294.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(C10H11N3O7)","Co(C10H11N3O7)","","- C10 H11 Co N3 O7 -","- C10 H9 Co N3 O7 -","- C40 H36 Co4 N12 O28 -","4","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.1204","0.0736","","","0.1881","0.2214","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206015","6.994","0.003","10.99","0.004","12.008","0.005","82.639","0.01","82.527","0.01","71.827","0.009","865.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Co3(C22H36N6O26)","Co3(C22H36N6O26)","","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","1","0.5","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0561","0.0398","","","0.0879","0.0971","","","","","","1.031","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206016","20.0609","0.0003","20.0609","0.0003","37.6855","0.0012","90","","90","","90","","15166.1","0.6","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C210 H330 Cl2 Dy14 N24 O143 S16 -","- C210 H200 Cl2 Dy14 N24 O122 S16 -","- C420 H400 Cl4 Dy28 N48 O244 S32 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.0669","0.0453","","","0.1317","0.1456","","","","","","1.085","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206017","21.7073","0.0005","21.7073","0.0005","22.5476","0.0007","90","","90","","90","","10624.6","0.5","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C127 H222 Cl2 Dy12 N16 O113 -","- C112 H80 Cl2 Dy12 N16 O56 -","- C224 H160 Cl4 Dy24 N32 O112 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.1036","0.0745","","","0.2502","0.2876","","","","","","1.13","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206018","3.6325","0.0006","10.2841","0.0017","10.4812","0.0017","90","","97.379","0.003","90","","388.3","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C8 H12 Cu4 N16 -","4","1","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0798","0.0628","","","0.1324","0.1412","","","","","","1.004","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206019","10.3115","0.0009","10.4977","0.001","14.7439","0.0014","90","","90","","90","","1596","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C32 H48 Cu16 N64 -","16","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0545","0.0462","","","0.1102","0.1155","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206020","8.4608","0.0007","10.3198","0.0009","10.5728","0.0009","90","","118.944","0.008","90","","807.84","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C16 H24 Cu8 N32 -","8","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0407","0.0335","","","0.0863","0.0903","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206021","33.6784","0.0009","25.4699","0.0007","19.5175","0.0005","90","","90","","90","","16741.8","0.8","100","2","100","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C60 H72 O8 -","- C60 H68 O8 -","- C720 H816 O96 -","12","1.5","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54178","CuKα","","0.0817","0.065","","","0.1726","0.1841","","","","","","1.042","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206022","17.4504","0.0006","17.4504","0.0006","27.9996","0.0014","90","","90","","120","","7384","0.5","120","2","120","2","","","","","","","","3","P 61","P 61","169","","","","- C56 H66 O9 -","- C56 H66 O9 -","- C336 H396 O54 -","6","1","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54184","CuKα","","0.0294","0.0279","","","0.0764","0.077","","","","","","1.061","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206023","20.481","0.012","10.09","0.005","13.992","0.008","90","","125.41","0.008","90","","2357","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N2 O4.5 Zn0.5 -","- C13 H8 N2 O4.5 Zn0.5 -","- C104 H64 N16 O36 Zn4 -","8","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0635","0.0508","","","0.098","0.103","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206024","8.233","0.0016","9.1285","0.0016","10.792","0.0016","97.51","0.003","103.711","0.005","112.582","0.006","705","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N2 O6.5 Zn -","- C13 H9 N2 O6.5 Zn -","- C26 H18 N4 O13 Zn2 -","2","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0607","0.0503","","","0.1412","0.1492","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206025","10.07","0.008","11.383","0.008","13.936","0.01","90","","101.955","0.015","90","","1563","2","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C9 H5.5 N1.5 O2 Zn0.5 -","- C9 H5.5 N1.5 O2 Zn0.5 -","- C36 H22 N6 O8 Zn2 -","4","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0909","0.0735","","","0.2487","0.2717","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206026","15.285","0.003","6.467","0.001","16.654","0.002","90","","110.64","0.03","90","","1540.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrabenzylcyclen","1,4,7,10-tetrabenzyl-1,4,7,10-tetraazacyclododecane","","- C36 H44 N4 -","- C36 H44 N4 -","- C72 H88 N8 -","2","0.5","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.0726","0.0488","","","0.121","0.1363","","","","","","1.025","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206027","37.0414","0.0014","11.1521","0.0004","19.2636","0.0007","90","","100.044","0.004","90","","7835.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","","- C36 H55 F7 N4 O4 Si -","- C36 H52.276 F7 N4 O4 Si -","- C288 H418.208 F56 N32 O32 Si8 -","8","1","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.095","0.0399","","","0.0809","0.0896","","","","","","0.841","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206028","16.382","0.0014","10.512","0.0004","21.654","0.002","90","","108.56","0.004","90","","3535","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","(EDTTTFImH)2(CLA)","(EDTTTFImH)2(CLA)","","- C28 H18 Cl2 N4 O4 S12 -","- C28 H18 Cl2 N4 O4 S12 -","- C112 H72 Cl8 N16 O16 S48 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0479","0.0362","","","0.0865","0.0922","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206029","9.762","0.005","10.467","0.008","10.572","0.007","92.16","0.03","114.66","0.02","112.01","0.02","885.7","1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(EDTTTFImH)2(CNA)","(EDTTTFImH)2(CNA)","","- C15 H9 N3 O2 S6 -","- C15 H9 N3 O2 S6 -","- C30 H18 N6 O4 S12 -","2","1","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0451","0.0333","","","0.0892","0.1043","","","","","","1.093","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206071","4.05818","0.000052","13.94699","0.00017","12.42233","0.00017","90","","90.6948","0.0013","90","","703.045","0.016","400","","400","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","2.055","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206072","4.01653","0.0001","13.944","0.0002","12.3686","0.0002","90","","90.526","0.001","90","","692.69","0.02","298","","298","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","1.873","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206073","6.58904","0.000079","8.60622","0.00011","16.25227","0.00021","89.7895","0.001","89.4785","0.00091","79.0643","0.0011","904.84","0.02","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","3.839","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206074","6.585083","0.000072","8.604378","0.000094","16.26256","0.00017","89.7706","0.00071","89.4765","0.00062","79.1189","0.00068","904.839","0.017","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","3.292","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206075","3.785","","3.785","","9.5196","","90","","90","","90","","136.38","","298","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium oxide","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Rezaee, Masih; Mousavi Khoie, Seyyed Mohammad; Liu, Kun Hua","The role of brookite in mechanical activation of anatase-to-rutile transformation of nanocrystalline TiO2: An XRD and Raman spectroscopy investigation","CrystEngComm","2011","13","16","5055","","10.1039/c1ce05185g","","","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206076","6.1078","0.0002","9.0766","0.0003","30.1945","0.0011","90","","92.094","0.003","90","","1672.81","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-[(2-biphenylamino)methylen]naphtalen-2(1H)-one","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.1223","0.0528","","","0.0995","0.1174","","","","","","0.949","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206077","25.3539","0.001","9.1936","0.0002","15.1458","0.0006","90","","106.93","0.004","90","","3377.4","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]copper(II)","","","- C46 H32 Cu N2 O2 -","- C46 H32 Cu N2 O2 -","- C184 H128 Cu4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0315","0.0275","","","0.0794","0.0804","","","","","","1.158","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206078","25.3808","0.0013","8.8392","0.0004","16.2656","0.001","90","","105.756","0.006","90","","3512","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]cobalt(II)","","","- C46 H32 Co N2 O2 -","- C46 H32 Co N2 O2 -","- C184 H128 Co4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0685","0.0409","","","0.0979","0.1039","","","","","","0.908","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206079","5.977","0.002","17.481","0.006","14.845","0.005","90","","93.708","0.006","90","","1547.8","0.9","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1369","0.0668","","","0.1467","0.1957","","","","","","0.85","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206080","10.9252","0.0011","12.8444","0.0011","12.9669","0.0013","81.473","0.004","85.56","0.004","82.793","0.004","1782.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1689","0.052","","","0.1187","0.1929","","","","","","0.895","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206081","21.82","0.06","6.006","0.018","34.11","0.1","90","","95.12","0.18","90","","4452","2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C224 H256 O16 -","8","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.3075","0.0859","","","0.1637","0.2571","","","","","","0.97","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206082","29.898","0.002","6.0728","0.0003","20.9859","0.0012","90","","110.252","0.003","90","","3574.7","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 O2 -","- C23 H25 O2 -","- C184 H200 O16 -","8","1","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.0636","0.0472","","","0.1419","0.158","","","","","","1.169","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206083","7.0471","0.0012","11.314","0.002","11.747","0.002","86.321","0.003","83.933","0.003","72.684","0.003","888.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.044","0.034","","","0.0762","0.0791","","","","","","0.969","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206084","7.0459","0.001","11.857","0.0017","11.8501","0.0017","84.482","0.002","84.484","0.002","72.251","0.002","936.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.0309","0.0292","","","0.0769","0.0783","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206085","8.319","0.002","16.294","0.003","9.718","0.002","90","","117.5","0.03","90","","1168.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-Acetyl-anthracene","9-Acetyl-anthracene","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1147","0.0417","","","0.0868","0.0993","","","","","","0.769","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206086","11.368","0.002","15.431","0.003","15.462","0.003","90","","90","","90","","2712.3","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Isopropyl anthracene-9-carboxylate dimer","","","- C36 H32 O4 -","- C36 H32 O4 -","- C144 H128 O16 -","4","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1447","0.0734","","","0.1841","0.2109","","","","","","1.003","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206087","9.919","0.002","8.734","0.002","18.506","0.003","90","","116.75","0.03","90","","1431.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Isopropyl anthracene-9-carboxylate","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.126","0.0615","","","0.1538","0.1757","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206088","9.585","0.002","13.733","0.003","9.025","0.002","90","","98.09","0.03","90","","1176.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Carbomethoxy-anthracene dimer","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0725","0.0412","","","0.0925","0.1087","","","","","","0.993","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206089","7.858","0.002","8.578","0.002","11.474","0.002","87.89","0.02","80.43","0.02","67.09","0.02","702.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-carbopropoxy-anthracene","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1494","0.0831","","","0.2391","0.2797","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206090","26.69","0.005","7.591","0.001","16.814","0.003","90","","122.01","0.03","90","","2888.6","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Isopropyl anthracene-9-carboxylate","Isopropyl anthracene-9-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0977","0.0605","","","0.1543","0.1689","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206091","8.496","0.002","9.22","0.002","10.151","0.003","85.09","0.02","70.74","0.02","69.22","0.02","701.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-carbopropoxy-anthracene dimer","","- C36 H32 O4 -","- C36 H32 O4 -","- C36 H32 O4 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0682","0.0441","","","0.1208","0.1317","","","","","","0.883","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206092","9.323","0.002","10.17","0.003","14.499","0.003","109.54","0.02","98.57","0.03","95.02","0.03","1267.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0917","0.0434","","","0.1056","0.1211","","","","","","0.961","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206093","9.341","0.002","10.333","0.003","14.545","0.004","109.68","0.02","99.28","0.03","96.19","0.03","1284.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.2073","0.0816","","","0.1876","0.2123","","","","","","1.261","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206094","9.375","0.002","10.734","0.003","29.95","0.006","90","","90","","90","","3013.9","1.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.072","0.0549","","","0.1433","0.1563","","","","","","1.055","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206095","9.375","0.0015","10.7698","0.0019","29.857","0.004","90","","90","","90","","3014.6","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.85 N O4 -","- C132 H155.4 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.0939","0.0725","","","0.1971","0.217","","","","","","1.108","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206096","9.3769","0.0013","10.8131","0.0018","29.707","0.004","90","","90","","90","","3012.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.784 N O4 -","- C132 H155.136 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1057","0.0778","","","0.2152","0.2411","","","","","","1.128","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206097","9.382","0.002","10.864","0.003","29.571","0.007","90","","90","","90","","3014.1","1.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.713 N O4 -","- C132 H154.852 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1344","0.0873","","","0.2281","0.2658","","","","","","1.15","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206098","9.3702","0.0013","11.016","0.002","29.134","0.005","90","","90","","90","","3007.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.444 N O4 -","- C132 H153.776 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1574","0.1011","","","0.2707","0.3158","","","","","","1.222","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206099","9.3364","0.0013","11.1836","0.0019","28.721","0.005","90","","90","","90","","2998.9","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.331 N O4 -","- C132 H153.324 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1461","0.0924","","","0.2534","0.2981","","","","","","1.183","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206100","9.3006","0.0012","11.3515","0.0016","28.334","0.004","90","","90","","90","","2991.4","0.7","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.201 N O4 -","- C132 H152.804 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1245","0.0816","","","0.2102","0.2429","","","","","","1.155","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206101","9.2818","0.0015","11.418","0.002","28.183","0.005","90","","90","","90","","2986.8","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.188 N O4 -","- C132 H152.752 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1173","0.0802","","","0.2164","0.2464","","","","","","1.142","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206102","9.2671","0.0014","11.4608","0.0018","28.078","0.004","90","","90","","90","","2982.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.126 N O4 -","- C132 H152.504 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1108","0.0772","","","0.2002","0.2259","","","","","","1.166","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206103","9.2515","0.0016","11.479","0.002","28.054","0.005","90","","90","","90","","2979.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.121 N O4 -","- C132 H152.484 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1085","0.0747","","","0.1956","0.2239","","","","","","1.141","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206104","9.2509","0.0016","11.481","0.002","28.074","0.005","90","","90","","90","","2981.7","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1018","0.0668","","","0.1559","0.1781","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206105","22.093","0.004","9.3747","0.0019","28.939","0.006","90","","90","","90","","5994","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.334 N O4 -","- C264 H306.672 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1016","0.076","","","0.1992","0.2226","","","","","","1.098","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206106","22.121","0.004","9.3817","0.0018","28.942","0.005","90","","90","","90","","6006.4","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.18 N O4 -","- C264 H305.44 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1058","0.0745","","","0.1906","0.2178","","","","","","1.106","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206107","22.142","0.004","9.3891","0.0017","28.954","0.005","90","","90","","90","","6019.3","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H37.98 N O4 -","- C264 H303.84 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1143","0.0774","","","0.198","0.2291","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206108","22.179","0.004","9.3739","0.0017","28.978","0.006","90","","90","","90","","6025","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.2155 N O4 -","- C264 H305.724 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1307","0.0878","","","0.2321","0.2715","","","","","","1.127","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206109","22.199","0.004","9.37","0.0017","29.003","0.006","90","","90","","90","","6033","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.5385 N O4 -","- C264 H308.308 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1427","0.091","","","0.2415","0.2889","","","","","","1.145","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206110","8.189","0.0007","10.9898","0.0009","17.93","0.002","90","","105.346","0.009","90","","1556.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 - hydroxypyridine)molybdenum(VI)","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 -hydroxypyridine)molybdenum(VI)","","- C14 H14 Mo N2 O6 -","- C14 H14 Mo N2 O6 -","- C56 H56 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0357","0.024","","","0.0593","0.0616","","","","","","0.923","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206111","8.0992","0.0016","11.4036","0.0011","17.993","0.003","90","","99.474","0.016","90","","1639.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI)","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI)","","- C15 H16 Mo N2 O6 -","- C15 H16 Mo N2 O6 -","- C60 H64 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.073","0.0331","","","0.0702","0.0777","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206112","7.7894","0.0004","10.0907","0.0007","12.5937","0.0005","86.293","0.004","81.553","0.004","69.096","0.005","914.61","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)(propanol)molybdenum(VI)","cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)(propanol)molybdenum(VI)","","- C16 H18 Mo N2 O6 -","- C16 H18 Mo N2 O6 -","- C32 H36 Mo2 N4 O12 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0596","0.0461","","","0.1207","0.1259","","","","","","0.982","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206113","8.8879","0.0003","14.5134","0.0005","16.4716","0.0006","90","","90.433","0.003","90","","2124.67","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","","- C21 H20 Mo N4 O5 -","- C21 H20 Mo N4 O5 -","- C84 H80 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0877","0.0361","","","0.0579","0.067","","","","","","1.05","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206114","7.5668","0.0003","19.3973","0.0007","14.5305","0.0006","90","","116.626","0.003","90","","1906.55","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI) acetonitrile solvate","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI) acetonitrile solvate","","- C18 H17 Mo N5 O5 -","- C18 H17 Mo N5 O5 -","- C72 H68 Mo4 N20 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.072","0.0333","","","0.0552","0.0615","","","","","","1.023","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206115","7.4565","0.0004","17.8707","0.0014","12.2079","0.0009","90","","93.021","0.006","90","","1624.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3- hydroxypyridine)molybdenum(VI)","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine)molybdenum(VI)","","- C16 H14 Mo N4 O5 -","- C16 H14 Mo N4 O5 -","- C64 H56 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0338","0.0241","","","0.0605","0.0625","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206116","11.7871","0.0006","12.8269","0.0007","13.8071","0.0006","108.49","0.005","94.104","0.004","113.811","0.005","1762.67","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI)","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI)","","- C36 H28 Mo2 N6 O10 -","- C36 H28 Mo2 N6 O10 -","- C72 H56 Mo4 N12 O20 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0719","0.0396","","","0.0983","0.1045","","","","","","0.94","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206117","12.342","0.0012","13.4804","0.0009","17.3437","0.0016","90","","131.638","0.006","90","","2156.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","","- C38 H32 Cl4 Mo2 N6 O10 -","- C38 H32 Cl4 Mo2 N6 O10 -","- C76 H64 Cl8 Mo4 N12 O20 -","2","0.5","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0522","0.0348","","","0.0896","0.0933","","","","","","0.94","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206118","15.725","0.001","15.839","0.002","7.4203","0.0007","90","","84.225","0.002","90","","1838.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 N O3 Ru -","- C16 H21 Cl2 N O3 Ru -","- C64 H84 Cl8 N4 O12 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.0338","0.0267","","","0.0767","0.0852","","","","","","1.144","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206119","15.0199","0.0009","7.2739","0.0004","15.4998","0.001","90","","95.452","0.005","90","","1685.74","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.045","0.0343","","","0.0881","0.0943","","","","","","1.057","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206120","14.7083","0.001","15.0887","0.001","7.72552","0.00049","90","","98.0506","0.004","90","","1697.62","0.19","373","","373","","","","","","","","Phase transition","6","P 1 21/c 1","-P 2ybc","14","((eta6-p-cymene)Ru(ii)Cl2(isonicotinic acid))","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206121","14.0995","0.001","14.0995","0.001","20.05","0.002","90","","90","","120","","3451.9","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H32 Cu2 N2 O12 -","- C54 H32 Cu2 N2 O12 -","- C162 H96 Cu6 N6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0836","0.0671","","","0.178","0.1931","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206122","14.096","0.005","14.096","0.005","20.062","0.005","90","0.005","90","0.005","120","0.005","3452.2","1.9","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H14.33 N2 Ni2 O13 -","- C54 H32 N2 Ni2 O12 -","- C162 H96 N6 Ni6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71069","MoKα","","0.0966","0.0754","","","0.1947","0.2128","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206123","14.9031","0.0007","18.2115","0.0006","18.371","0.0005","94.803","0.002","101.6","0.003","113.983","0.004","4385.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","1","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0943","0.0466","","","0.0955","0.1029","","","","","","0.859","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206124","8.4874","0.0012","17.602","0.002","21.025","0.003","90","","100.048","0.002","90","","3092.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N6 O8 -","- C32 H32 Cu N6 O8 -","- C128 H128 Cu4 N24 O32 -","4","1","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0654","0.041","","","0.0908","0.1006","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206125","21.837","0.002","16.5073","0.0014","7.2252","0.0006","90","","90","","90","","2604.5","0.4","100","2","100","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","","0.71075","MoKα","","0.0392","0.0358","","","0.1","0.1101","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206126","21.845","0.002","16.5081","0.0013","7.2355","0.0006","90","","90","","90","","2609.3","0.4","120","2","120","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0378","0.0359","","","0.0926","0.0948","","","","","","1.086","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206127","21.859","0.002","16.5084","0.0014","7.2459","0.0006","90","","90","","90","","2614.7","0.4","140","2","140","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0419","0.0384","","","0.1047","0.1144","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206128","21.879","0.009","16.52","0.007","7.263","0.003","90","","90","","90","","2625.1","1.9","160","2","160","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0386","","","0.1053","0.1169","","","","","","1.171","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206129","21.889","0.002","16.5223","0.0014","7.275","0.0006","90","","90","","90","","2631.1","0.4","180","2","180","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0391","","","0.1066","0.1172","","","","","","1.141","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206130","21.893","0.01","16.515","0.007","7.283","0.003","90","","90","","90","","2633","2","200","2","200","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0463","0.0415","","","0.1137","0.1243","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206131","21.893","0.002","16.5073","0.0018","7.299","0.0007","90","","90","","90","","2637.8","0.5","220","2","220","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0469","0.0408","","","0.1118","0.1238","","","","","","1.161","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206132","21.926","0.01","16.514","0.008","7.31","0.003","90","","90","","90","","2647","2","240","2","240","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0498","0.044","","","0.1196","0.1305","","","","","","1.16","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206133","21.969","0.002","16.485","0.002","7.3209","0.0009","90","","90","","90","","2651.3","0.5","260","2","260","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0511","0.0439","","","0.1178","0.1305","","","","","","1.162","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206134","21.942","0.002","16.515","0.002","7.3435","0.0008","90","","90","","90","","2661.1","0.5","280","","280","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0551","0.0471","","","0.1262","0.1393","","","","","","1.182","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206135","21.84","0.002","16.506","0.0017","7.2541","0.0007","90","","90","","90","","2615","0.4","150","","150","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0458","0.0401","","","0.1095","0.1262","","","","","","1.19","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206136","6.778","0.0014","7.038","0.0014","15.05","0.003","96.59","0.03","98.42","0.03","105.27","0.03","676.2","0.3","150","","150","2","","","","","","","see text","4","P -1","-P 1","2","Pyrazinecarboxamide:4-aminosalicylic acid co-crystal hydrate","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C24 H28 N8 O10 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.1284","0.063","","","0.1318","0.1792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206137","7.0768","0.0006","8.1099","0.0006","15.1128","0.0012","76.138","0.011","82.477","0.01","70.923","0.01","794.54","0.12","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0327","0.0241","","","0.0658","0.0822","","","","","","1.14","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206138","7.6088","0.0005","7.697","0.0005","14.1513","0.0009","99.02","0.003","93.382","0.003","105.947","0.003","782.46","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0869","0.0312","","","0.0679","0.0814","","","","","","0.866","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206139","39.119","0.005","6.1713","0.0008","12.324","0.002","90","","92.106","0.016","90","","2973.2","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F8 I4 N2 -","- C26 H16 F8 I4 N2 -","- C104 H64 F32 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0505","0.0302","","","0.0688","0.0798","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206140","13.98","0.002","7.108","0.0009","15.52","0.002","90","","101.51","0.02","90","","1511.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 I6 N2 -","- C24 H22 I6 N2 -","- C48 H44 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.061","0.0352","","","0.0708","0.0852","","","","","","1.041","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206141","9.5397","0.001","11.3337","0.0011","17.3668","0.0016","90","","90","","90","","1877.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I4 N2 -","- C12 H14 I4 N2 -","- C48 H56 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0217","0.0169","","","0.036","0.037","","","","","","1.099","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206142","7.2715","0.0008","12.498","0.0016","14.3479","0.0018","104.8","0.016","99.824","0.017","102.526","0.017","1194.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I7 N2 -","- C12 H14 I7 N2 -","- C24 H28 I14 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0521","0.0324","","","0.0696","0.0791","","","","","","1.013","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206143","9.77","0.002","7.3538","0.0014","14.749","0.003","90","","92.324","0.015","90","","1058.8","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 I6 N2 -","- C12 H14 I6 N2 -","- C24 H28 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.025","0.0195","","","0.04","0.0416","","","","","","1.023","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206144","7.3666","0.0009","7.5376","0.0009","26.01","0.003","89.788","0.006","86.141","0.007","70.266","0.006","1356.1","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I9 N2 -","- C12 H14 I9 N2 -","- C24 H28 I18 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0817","0.0399","","","0.0951","0.1182","","","","","","1.024","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206145","5.8638","0.0012","5.0832","0.0011","10.708","0.002","90","","92.124","0.016","90","","318.95","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitronitrosobenzene","4-nitronitrosobenzene","","- C6 H4 N2 O3 -","- C6 H4 N1.998 O2.998 -","- C12 H8 N3.996 O5.996 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.0658","0.0502","","","0.1085","0.1161","","","","","","1.295","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206146","3.735","0.002","6.533","0.006","13.51","0.009","90","","98.38","0.06","90","","326.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloronitrosobenzene","","- C6 H4 Cl N O -","- C3 H2 Cl0.5 N0.5 O0.606 -","- C6 H4 Cl N O1.212 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.1377","0.0796","","","0.1634","0.1989","","","","","","1.272","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206147","22.0053","0.0005","22.0053","0.0005","76.102","0.004","90","","90","","120","","31914","2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C90 H72 Cu4.5 N18 O40 P W12 -","- C90 H48 Cu4.5 N18 O40 P W12 -","- C1080 H576 Cu54 N216 O480 P12 W144 -","12","0.333333","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1275","0.1411","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206148","15.22","0.0008","15.9213","0.0008","18.079","0.001","74.933","0.001","74.646","0.001","66.294","0.001","3809.2","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0709","0.0512","","","0.1451","0.1609","","","","","","1.042","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206149","15.092","0.005","15.819","0.005","17.992","0.006","74.792","0.005","74.347","0.005","66.22","0.005","3727","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H100 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.1389","0.1053","","","0.2554","0.2807","","","","","","1.03","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206150","11.0794","0.0002","11.1586","0.0002","11.8673","0.0002","82.422","0.0017","88.3512","0.0017","88.9145","0.0014","1453.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","1","0.5","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.1576","0.0393","","","0.0812","0.1008","","","","1.79","1.79","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206151","15.1257","0.0001","15.5606","0.0001","24.7564","0.0002","90","","90","","90","","5826.79","0.07","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C27 H26 Cu2 I3 O P -","- C27 H26 Cu2 I3 O P -","- C216 H208 Cu16 I24 O8 P8 -","8","1","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.0379","0.034","","","0.1075","0.1092","","","","1.85","1.85","1.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206152","43.444","0.008","7.254","0.002","9.702","0.002","90","","92.54","0.02","90","","3054.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(ii)","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(II)","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C128 H184 Cu4 N8 O16 -","4","0.5","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.0595","0.0414","","","0.0874","0.0935","","","","","","1.04","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206153","19.521","0.002","14.028","0.002","12.066","0.003","90","","99.2","0.02","90","","3261.7","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N'-(o-phenylene)bis(4- hexyloxysalicylideneiminato)copper(ii) dichloromethane solvate","N,N'-(o-phenylene)bis(4-hexyloxysalicylideneiminato)copper(II) dichloromethane solvate","","- C33 H40 Cl2 Cu N2 O4 -","- C33 H40 Cl2 Cu N2 O4 -","- C132 H160 Cl8 Cu4 N8 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.2237","0.0862","","","0.1913","0.2613","","","","","","1.078","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206154","14.94","0.006","5.532","0.002","42.014","0.002","90","","90.754","0.007","90","","3472.1","1.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(ii)","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(II)","","- C40 H54 N2 Ni O4 -","- C40 H54 N2 Ni O4 -","- C160 H216 N8 Ni4 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.1352","0.1134","","","0.2199","0.2304","","","","","","1.257","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206155","10.2393","0.0003","11.7244","0.0004","11.8311","0.0004","93.936","0.003","97.847","0.003","114.58","0.003","1267.05","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0225","0.018","","","0.0441","0.0449","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206156","10.5322","0.0003","11.4529","0.0003","11.6939","0.0003","92.916","0.002","95.266","0.002","114.822","0.003","1268.6","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato- O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0202","0.0158","","","0.0394","0.0401","","","","","","0.943","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206157","11.0325","0.0003","11.0829","0.0004","14.1157","0.0005","100.866","0.003","105.795","0.003","112.231","0.003","1452.68","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0201","0.0148","","","0.037","0.0377","","","","","","1.121","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206158","10.565","0.0003","11.5974","0.0003","12.5744","0.0003","89.039","0.002","72.454","0.002","68.084","0.002","1354.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0168","0.0159","","","0.0423","0.0428","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206159","11.2754","0.0008","7.9268","0.0005","29.789","0.002","90","","94.231","0.006","90","","2655.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","","- C34 H44 Mo8 N8 O31 -","- C34 H44 Mo8 N8 O31 -","- C68 H88 Mo16 N16 O62 -","2","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.063","0.0444","","","0.0758","0.0796","","","","","","1.173","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206160","10.257","0.0002","10.4104","0.0002","15.5335","0.0003","91.935","0.001","97.17","0.002","95.19","0.001","1637.24","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0209","0.0197","","","0.0501","0.0507","","","","","","1.055","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206169","12.2028","0.0012","12.6711","0.0012","17.5676","0.0013","90","","131.125","0.004","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N12 Ru -","- C18 H15 N12 Ru -","- C72 H60 N48 Ru4 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0508","0.0398","","","0.0976","0.1033","","","","","","1.008","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206170","8.1","0.0008","22.692","0.002","12.049","0.0013","90","","96.852","0.002","90","","2198.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Co N12 O3 -","- C18 H21 Co N12 O3 -","- C72 H84 Co4 N48 O12 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0651","0.0577","","","0.132","0.1364","","","","","","1.011","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206171","12.625","0.0012","20.431","0.002","33.166","0.003","90","","90","","90","","8554.9","1.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H31 Co2 N24 O -","- C37.998 H31 Co2 N24 O -","- C303.984 H248 Co16 N192 O8 -","8","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0856","0.0529","","","0.1313","0.1477","","","","","","1.063","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206172","12.797","0.003","17.007","0.003","8.2934","0.0017","90","","97.8","0.03","90","","1788.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0808","0.0631","","","0.118","0.1248","","","","","","1.254","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206173","9.3916","0.0019","11.835","0.002","16.208","0.003","90","","95.66","0.03","90","","1792.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0598","0.0458","","","0.0989","0.1047","","","","","","1.099","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206174","3.8431","0.0004","20.241","0.002","11.3553","0.0011","90","","95.841","0.002","90","","878.72","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-5-methyl-4H-chromen-4-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.0356","","","0.0988","0.1002","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206175","7.2934","0.0018","13.423","0.003","9.151","0.002","90","","103.183","0.003","90","","872.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.035","","","0.0952","0.0976","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206176","27.994","0.004","27.994","0.004","19.391","0.006","90","","90","","90","","15196","6","223","2","223","2","","","","","","","","6","I 41","I 4bw","80","","","","- C96 H157 Cl N56 O63 Rb2 -","- C96 H96 Cl N56 O38 Rb2 -","- C384 H384 Cl4 N224 O152 Rb8 -","4","0.5","","Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang","Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril","CrystEngComm","2011","13","16","5105","","10.1039/c1ce05048f","","","0.71073","MoKα","","0.1023","0.0693","","","0.1835","0.1997","","","","","","0.968","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206177","7.3339","0.0013","18.292","0.003","7.0915","0.0012","90","","108.824","0.004","90","","900.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Br2 N2 O2 -","- C12 H34 Br2 N2 O2 -","- C24 H68 Br4 N4 O4 -","2","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.02","0.0172","","","0.0441","0.0453","","","","","","1.089","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206178","7.4621","0.001","8.1058","0.0011","8.4022","0.0011","94.013","0.01","116.002","0.012","99.107","0.011","445.42","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","1","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0253","0.0232","","","0.0617","0.0628","","","","","","1.071","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206179","21.45","0.004","7.3232","0.001","7.1474","0.0011","90","","92.31","0.02","90","","1121.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br6 N2 -","- C12 H30 Br6 N2 -","- C24 H60 Br12 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0751","0.0328","","","0.0723","0.0869","","","","","","1.001","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206180","22.361","0.003","7.5412","0.0012","7.1251","0.001","90","","91.388","0.012","90","","1201.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Cl2 I4 N2 -","- C12 H32 Cl2.0086 I4.0086 N2 -","- C24 H64 Cl4.0172 I8.0172 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.04","0.0266","","","0.0594","0.0646","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206181","21.8","0.003","7.2927","0.001","6.8951","0.001","90","","91.743","0.012","90","","1095.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br4.25 Cl1.75 N2 -","- C12 H30 Br4.252 Cl1.748 N2 -","- C24 H60 Br8.504 Cl3.496 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0428","0.0243","","","0.0509","0.0563","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206182","23.702","0.003","33.368","0.005","20.051","0.003","90","","90","","90","","15858","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C104 H164 I6 K6 N60 O67 -","- C104 H102 I6 K6 N60 O47 -","- C416 H408 I24 K24 N240 O188 -","4","0.5","","Feng, Xing; Chen, Kai; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qiang-Jiang; Tao, Zhu; Day, Anthony I.","Stable cucurbit[5]uril MOF structures as ‘beaded’ rings built on a p-hydroxybenzoic acid template—a small molecule absorption material","CrystEngComm","2011","13","16","5049","","10.1039/c1ce05051f","","","0.71073","MoKα","","0.1064","0.0575","","","0.1411","0.1582","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206183","7.9017","0.0016","27.456","0.006","32.408","0.007","90","","95.03","0.03","90","","7004","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H22 Mn2 N6 O17 -","- C33.5 H17 Mn2 N6 O17 -","- C268 H136 Mn16 N48 O136 -","8","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0796","0.0615","","","0.1426","0.1525","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206184","12.803","0.003","12.071","0.002","28.433","0.006","90","","91.13","0.03","90","","4393.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Co2.5 N7 O20 -","- C39 H15 Co2.5 N8 O20 -","- C156 H60 Co10 N32 O80 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.1298","0.0954","","","0.2576","0.2759","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206185","11.6736","0.0004","28.3206","0.0008","13.208","0.0003","90","","106.597","0.002","90","","4184.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cu2.5 N8 O18 -","- C39 H31 Cu2.5 N8 O18 -","- C156 H124 Cu10 N32 O72 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0684","0.0342","","","0.0786","0.0992","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206186","10.821","0.002","13.85","0.003","14.788","0.003","70.17","0.03","82.92","0.03","85.58","0.03","2067.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 N8 O17 Zn2.5 -","- C39 H29 N8 O17 Zn2.5 -","- C78 H58 N16 O34 Zn5 -","2","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0422","0.0373","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206187","26.082","0.005","10.575","0.002","14.788","0.003","90","","103.53","0.03","90","","3965.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cd2 N8 O16 -","- C39 H28 Cd2 N8 O16 -","- C156 H112 Cd8 N32 O64 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0293","0.0234","","","0.0499","0.0519","","","","","","1.028","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206188","10.534","0.004","11.3","0.004","12.661","0.005","101.901","0.005","108.73","0.005","99.044","0.004","1355.4","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0435","0.0372","","","0.0988","0.1039","","","","","","1.032","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206189","10.523","0.003","11.184","0.003","12.7","0.003","102.98","0.003","109.329","0.003","97.766","0.003","1338.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0339","0.0288","","","0.0742","0.0786","","","","","","1.021","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206190","10.5152","0.0005","11.1058","0.0005","12.7396","0.0006","103.891","0.002","109.709","0.002","96.684","0.002","1327.53","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0357","0.0318","","","0.085","0.0882","","","","","","1.027","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206191","10.5226","0.0009","11.0545","0.0009","12.7711","0.0011","103.826","0.001","110.024","0.001","96.602","0.001","1323.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0463","0.0348","","","0.0853","0.0923","","","","","","1.012","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206192","10.5507","0.0009","10.9265","0.001","12.8978","0.0011","103.184","0.001","111.147","0.001","96.566","0.001","1318.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.044","0.0363","","","0.0821","0.087","","","","","","1.039","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206193","7.9911","0.0001","9.675","0.0002","12.5109","0.0003","69.055","0.003","81.27","0.003","73.033","0.003","862.81","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C28 H36 N8 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.052","0.0458","","","0.1235","0.1299","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206194","4.7271","0.0001","16.0239","0.0003","22.645","0.0004","90","","93.75","0.003","90","","1711.61","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiphanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0898","0.055","","","0.112","0.1283","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206195","16.0607","0.0002","17.4629","0.0002","8.456","0.0001","90","","111.432","0.003","90","","2207.63","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N4 O5 S2 -","- C17 H24 N4 O5 S2 -","- C68 H96 N16 O20 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0393","0.0359","","","0.0936","0.0967","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206196","15.5158","0.0003","18.0503","0.0004","8.5922","0.0002","90","","112.739","0.003","90","","2219.34","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Cl3 N4 O4 S2 -","- C15 H19 Cl3 N4 O4 S2 -","- C60 H76 Cl12 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0893","0.0755","","","0.1918","0.2058","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206197","16.8293","0.0003","17.0275","0.0003","8.2545","0.0002","90","","111.119","0.003","90","","2206.54","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0704","0.0633","","","0.1799","0.187","","","","","","1.105","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206198","9.2924","0.0002","11.707","0.0003","12.1305","0.0003","65.555","0.002","68.864","0.002","76.329","0.003","1114.6","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C36 H52 N8 O12 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0575","0.0444","","","0.1089","0.1175","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206199","8.8104","0.0009","11.3513","0.0013","12.5","0.002","66.635","0.007","77.989","0.006","77.883","0.005","1111.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N5 O4 S2 -","- C19 H23 N5 O4 S2 -","- C38 H46 N10 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","0.71073","MoKα","","0.0757","0.053","","","0.0985","0.1096","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206200","11.7631","0.0002","11.7631","0.0002","48.5257","0.0008","90","","90","","90","","6714.5","0.2","173","2","173","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C56 H70 N12 O12 S6 -","- C56 H70 N12 O12 S6 -","- C224 H280 N48 O48 S24 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0631","0.0434","","","0.0987","0.1084","","","","","","1.043","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206201","10.7333","0.0005","11.8079","0.0007","16.2174","0.0012","95.293","0.003","100.405","0.004","113.044","0.004","1829.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","2","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0963","0.0603","","","0.1413","0.1633","","","","","","1.026","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206202","16.1404","0.0003","17.3754","0.0003","8.2332","0.0002","90","","110.996","0.003","90","","2155.66","0.09","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Cl2 N4 O4 S2 -","- C15 H20 Cl2 N4 O4 S2 -","- C60 H80 Cl8 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.1739","0.1591","","","0.4149","0.422","","","","","","1.172","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206203","10.6942","0.0002","5.73","0.0001","15.4546","0.0005","90","","108.438","0.0009","90","","898.41","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0451","0.0285","","","0.0715","0.0759","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206204","5.6857","0.0001","15.0893","0.0004","10.3687","0.0003","90","","92.8634","0.0008","90","","888.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0509","0.0299","","","0.0723","0.0765","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206205","7.7821","0.0016","7.0635","0.0014","11.62","0.002","90","","90","","90","","638.7","0.2","296","2","296","2","1300000","","1300000","","","","","4","P b c a","-P 2ac 2ab","61","chloroacetonitrile","chloroacetonitrile","","- C2 H2 Cl N -","- C2 H2 Cl N -","- C16 H16 Cl8 N8 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.058","0.0493","","","0.0995","0.1043","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206206","5.936","0.0012","17.94","0.004","7.547","0.0015","90","","92.44","0.03","90","","803","0.3","296","2","296","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloroacetonitrile","dichloroacetonitrile","","- C2 H Cl2 N -","- C2 H Cl2 N -","- C16 H8 Cl16 N8 -","8","2","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.2091","0.0794","","","0.1439","0.1994","","","","","","1.081","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206207","15.251","0.002","15.251","0.002","8.1219","0.0016","90","","90","","90","","1889.1","0.5","296","2","296","2","900000","","900000","","","","","3","I 41 c d","I 4bw -2c","110","trichloroacetonitrile","trichloroacetonitrile","","- C2 Cl3 N -","- C2 Cl3 N -","- C32 Cl48 N16 -","16","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.0707","0.0636","","","0.1613","0.1724","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206208","9.3455","0.0007","6.7383","0.0004","14.6868","0.0012","90","","101.529","0.004","90","","906.21","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0494","","","","0.122","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206209","11.3857","0.0009","6.7698","0.0003","12.7237","0.0009","90","","103.73","0.003","90","","952.7","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0403","","","","0.0991","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206210","9.17","0.0018","9.949","0.002","12.068","0.002","102.98","0.03","104.75","0.03","98.51","0.03","1012.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N4 Zn -","- C20 H22 Cl2 N4 Zn -","- C40 H44 Cl4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0712","0.0464","","","0.0948","0.1048","","","","","","1.058","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206211","9.2071","0.0018","10.196","0.002","12.285","0.003","102.64","0.03","105.75","0.03","98.64","0.03","1055.7","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 Zn -","- C20 H22 Br2 N4 Zn -","- C40 H44 Br4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1564","0.0863","","","0.2023","0.2452","","","","","","1.071","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206212","8.575","0.0017","11.228","0.002","14.062","0.003","92.39","0.03","106.67","0.03","107.85","0.03","1222","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cd I2 N4 O0.5 -","- C20 H23 Cd I2 N4 O0.5 -","- C40 H46 Cd2 I4 N8 O -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1034","0.0662","","","0.1513","0.1696","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206213","12.056","0.002","12.055","0.002","12.71","0.003","90","","93.09","0.03","90","","1844.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cd Cl2 N8 -","- C40 H44 Cd Cl2 N8 -","- C80 H88 Cd2 Cl4 N16 -","2","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0841","0.0571","","","0.0838","0.0922","","","","","","1.129","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206214","8.7552","0.0018","9.486","0.0019","16.064","0.003","93.72","0.03","94.91","0.03","98.88","0.03","1309.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","1","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0498","0.0339","","","0.0778","0.0834","","","","","","1.038","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206215","22.382","0.003","22.382","0.003","11.243","0.002","90","","90","","90","","5632.2","1.5","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H34 N4 O8 Zn2 -","- C28 H34 N4 O8 Zn2 -","- C224 H272 N32 O64 Zn16 -","8","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0637","0.0478","","","0.0968","0.1037","","","","","","1.109","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206216","11.807","0.008","7.545","0.005","3.737","0.003","90","","93.532","0.008","90","","332.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cd Cl2 N2 -","- C4 H4 Cd Cl2 N2 -","- C8 H8 Cd2 Cl4 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0445","0.0445","","","0.1197","0.1197","","","","","","1.159","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206217","12.02","0.03","6.883","0.014","3.712","0.008","90","","95.82","0.02","90","","305.5","1.2","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cl2 Cu N2 -","- C4 H4 Cl2 Cu N2 -","- C8 H8 Cl4 Cu2 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0385","0.0345","","","0.0926","0.0977","","","","","","1.131","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206218","10.2396","0.001","8.1042","0.0008","7.8045","0.0008","90","","100.031","0.01","90","","637.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Br2 N O2 -","- C4 H Br2 N O2 -","- C16 H4 Br8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0378","0.0243","","","0.0534","0.0577","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206219","6.9498","0.0008","8.5107","0.0011","11.2025","0.0012","100.225","0.012","98.246","0.011","95.329","0.011","640.56","0.14","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 Br2 Cl2 N4 O2 -","- C9 H6 Br2 Cl2 N4 O2 -","- C18 H12 Br4 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.034","0.0233","","","0.0513","0.0546","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206220","3.8217","0.0006","22.432","0.003","13.711","0.002","90","","97.809","0.012","90","","1164.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 N4 O2 -","- C9 H8 Br2 N4 O2 -","- C36 H32 Br8 N16 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0628","0.0391","","","0.0893","0.0982","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206221","12.267","0.002","11.93","0.002","4.9664","0.001","90","","90","","90","","726.8","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-diamino-3,5-dibromopyridine","","- C5 H5 Br2 N3 -","- C5 H5 Br2 N3 -","- C20 H20 Br8 N12 -","4","0.5","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0341","0.0228","","","0.0506","0.0544","","","","","","1.027","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206222","7.274","0.003","8.086","0.003","10.35","0.004","90","","101.35","0.02","90","","596.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C16 H4 Cl8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0742","0.0339","","","0.0853","0.0979","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206223","7.1818","0.0006","7.8344","0.0007","11.6453","0.0015","101.979","0.011","101.519","0.011","97.213","0.01","618.44","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Cl4 N4 O2 -","- C9 H6 Cl4 N4 O2 -","- C18 H12 Cl8 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.046","0.0342","","","0.0911","0.0964","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206224","3.7835","0.0018","11.45","0.006","13.799","0.007","97.018","0.018","96.799","0.018","96.993","0.017","583.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.065","0.0403","","","0.0952","0.1093","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206225","5.5503","0.0002","5.5503","0.0002","38.4073","0.0009","90","","90","","90","","1183.17","0.07","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C32 H8 Cl16 N8 O16 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0292","0.0265","","","0.0691","0.0696","","","","","","1.168","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206226","11.5523","0.0012","23.163","0.002","4.9721","0.0003","90","","90","","90","","1330.5","0.2","103","2","103","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H5 Cl2 N3 -","- C5 H5 Cl2 N3 -","- C40 H40 Cl16 N24 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0232","0.0218","","","0.0578","0.0591","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206227","6.8874","0.0008","7.5131","0.001","11.0277","0.0016","78.312","0.008","83.145","0.01","83.916","0.01","552.84","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0866","0.0515","","","0.1165","0.1316","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206228","14.1686","0.0015","20.559","0.002","6.927","0.0006","90","","99.575","0.011","90","","1989.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","2","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0533","0.0348","","","0.0834","0.0987","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206229","9.808","0.003","10.109","0.003","10.965","0.003","77.197","0.004","81.634","0.004","68.888","0.004","986.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.097","0.0498","","","0.0986","0.119","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206230","8.9767","0.0009","10.168","0.0011","11.8647","0.0012","68.405","0.001","84.338","0.001","78.187","0.001","985.29","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0339","0.0318","","","0.0924","0.0946","","","","","","1.048","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206231","9.7609","0.001","10.1202","0.0011","10.9656","0.0012","76.443","0.001","81.092","0.001","68.742","0.001","978.45","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 Ni O4 -","- C21 H18 N2 Ni O4 -","- C42 H36 N4 Ni2 O8 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0305","0.027","","","0.0695","0.0718","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206232","10.1421","0.0011","10.3265","0.0011","11.6938","0.0012","70.97","0.001","77.524","0.001","65.567","0.001","1049.4","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 Ni O5 -","- C22 H22 N2 Ni O5 -","- C44 H44 N4 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0271","0.0249","","","0.0628","0.0641","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206233","10.811","0.001","12.298","0.001","19.58","0.001","82.23","0.004","79.12","0.005","64.53","0.005","2303.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N18 O23 -","- C30 H36 N18 O23 -","- C60 H72 N36 O46 -","2","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1432","0.0797","","","0.2058","0.2257","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206234","15.788","0.001","12.16","0.001","7.161","","90","","96.56","0.005","90","","1365.78","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C40 H64 N24 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1108","0.0659","","","0.1608","0.1773","","","","","","0.9","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206235","38.011","0.005","9.212","0.005","20.43","0.005","90","0.005","99.437","0.005","90","0.005","7057","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N7 O6 -","- C13 H15 N7 O6 -","- C208 H240 N112 O96 -","16","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1367","0.0784","","","0.2389","0.2652","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206236","14.372","0.001","8.549","0.001","20.671","0.002","90","0.007","114.23","","90","","2316","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N6 O4 -","- C10 H12 N6 O4 -","- C80 H96 N48 O32 -","8","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1371","0.0464","","","0.0838","0.0984","","","","","","0.771","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206237","16.691","0.008","8.577","0.004","20.692","0.008","90","","117.83","0.03","90","","2620","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N13 O6 -","- C22 H27 N13 O6 -","- C88 H108 N52 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.166","0.0712","","","0.162","0.1805","","","","","","0.689","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206238","7.571","","10.857","0.001","16.477","0.001","87.12","0.005","85.51","0.005","82.63","0.005","1337.96","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N6 O5 -","- C10 H16 N6 O5 -","- C40 H64 N24 O20 -","4","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.0837","0.0459","","","0.1032","0.1119","","","","","","0.944","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206239","10.7451","0.0007","8.1032","0.0005","15.3586","0.001","90","","109.279","0.001","90","","1262.28","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O -","- C13 H12 I N O -","- C52 H48 I4 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0332","0.0247","","","","0.061","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206240","9.1134","0.0003","11.0264","0.0004","14.6077","0.0006","90","","90","","90","","1467.9","0.09","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H12 I2 N O -","- C13 H12 I2 N O -","- C52 H48 I8 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0145","0.0136","","","","0.0306","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206241","9.5788","0.0008","7.8985","0.0007","42.819","0.004","90","","90","","90","","3239.6","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 I3 N O -","- C13 H12 I3 N O -","- C104 H96 I24 N8 O8 -","8","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0524","0.0419","","","","0.0772","","","","","","1.191","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206242","9.835","0.002","13.839","0.003","21.881","0.005","96.492","0.004","100.32","0.005","104.967","0.004","2790.5","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 In2 N4 O13 -","- C66 H40 In2 N4 O13 -","- C132 H80 In4 N8 O26 -","2","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1247","0.0752","","","0.1614","0.2003","","","","","","1.087","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206243","10.7789","0.0003","8.2923","0.0002","19.6538","0.0005","90","","95.031","0.001","90","","1749.93","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13.5 In N O5.25 -","- C19 H13 In N O5.25 -","- C76 H52 In4 N4 O21 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","1.54178","CuKα","","0.0918","0.0739","","","0.2276","0.2452","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206244","12.8039","0.0009","14.0375","0.0009","18.358","0.001","90","","90","","90","","3299.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 In N2 O9 -","- C38 H27 In N2 O9 -","- C152 H108 In4 N8 O36 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.0519","0.0398","","","0.0621","0.0646","","","","","","1.073","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206245","9.9495","0.0006","13.0898","0.0008","13.2297","0.0008","82.543","0.001","85.472","0.001","80.571","0.001","1682.41","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.061","0.0405","","","0.086","0.0922","","","","","","1.054","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206246","10.6135","0.0012","11.6513","0.0013","14.0949","0.0015","75.745","0.002","68.609","0.002","88.736","0.002","1568.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1009","0.0652","","","0.0979","0.1072","","","","","","1.049","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206247","8.4186","0.001","12.573","0.0015","13.2177","0.0015","79.947","0.002","84.258","0.002","79.707","0.002","1352","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","2","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.0799","0.0464","","","0.1207","0.1451","","","","","","1.023","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206248","4.4026","0.0014","10.667","0.003","13.823","0.004","76.294","0.004","86.681","0.004","89.165","0.004","629.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.089","0.049","","","0.1188","0.143","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206249","27.3936","0.0002","27.3936","0.0002","27.3936","0.0002","90","","90","","90","","20556.4","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H192 B6 Cu6 F24 N42 O42 -","- C156 H132 B6 Cu6 F24 N42 O42 -","- C624 H528 B24 Cu24 F96 N168 O168 -","4","0.166667","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.1","0.0621","","","0.1659","0.1833","","","","","","1.017","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206250","26.5623","0.0004","17.5464","0.0002","42.0801","0.0008","90","","104.125","0.002","90","","19019.4","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C324 H356 Cu12 F36 N88 O60 Si6 -","- C324 H292 Cu12 F36 N88 O60 Si6 -","- C648 H584 Cu24 F72 N176 O120 Si12 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.0915","0.0605","","","0.1663","0.1764","","","","","","1.08","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206251","13.9659","0.0005","13.2766","0.0005","18.0272","0.0006","90","","104.667","0.003","90","","3233.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cu N7 O6 S -","- C34 H33 Cu N7 O6 S -","- C136 H132 Cu4 N28 O24 S4 -","4","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.101","0.0447","","","0.0707","0.0771","","","","","","1.013","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206252","24.7325","0.0008","12.9895","0.0007","20.3885","0.0008","90","","105.252","0.004","90","","6319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H118 Cl4 Cu4 N30 O38 -","- C116 H98 Cl4 Cu4 N30 O38 -","- C232 H196 Cl8 Cu8 N60 O76 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0937","0.0629","","","0.1661","0.1811","","","","","","1.006","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206253","24.6794","0.001","12.4257","0.0005","21.1689","0.0009","90","","104.994","0.004","90","","6270.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cu N8.5 O10.25 -","- C29 H24.5 Cu N8.5 O10.25 -","- C232 H196 Cu8 N68 O82 -","8","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0936","0.0625","","","0.1607","0.1755","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206254","20.4796","0.0008","12.5996","0.0005","23.1723","0.0012","90","","104.953","0.005","90","","5776.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C115 H116 Cu4 N32 O26 -","- C115 H100 Cu4 N32 O26 -","- C230 H200 Cu8 N64 O52 -","2","0.5","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.2455","0.077","","","0.0947","0.1113","","","","","","1.023","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206255","10.2659","0.0004","20.0891","0.0008","10.3753","0.0004","90","","100.633","0.001","90","","2102.99","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mo8 N4 O26 -","- C26 H32 Mo8 N4 O26 -","- C52 H64 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0296","0.0254","","","0.0626","0.0646","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206256","9.68","0.0006","10.4525","0.0006","12.2127","0.0008","65.766","0.001","79.868","0.001","70.754","0.001","1062.63","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Mo4 N2 O13 -","- C14 H18 Mo4 N2 O13 -","- C28 H36 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0222","","","0.0646","0.0656","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206257","10.434","0.002","20.632","0.004","11.583","0.002","90","","107.98","0.03","90","","2371.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mo4 N2 O13 -","- C15 H20 Mo4 N2 O13 -","- C60 H80 Mo16 N8 O52 -","4","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0549","0.0517","","","0.133","0.1358","","","","","","1.097","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206258","9.6722","0.0006","9.8924","0.0006","12.7236","0.0008","105.829","0.001","94.873","0.001","95.76","0.001","1157.28","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mo4 N2 O13 -","- C16 H22 Mo4 N2 O13 -","- C32 H44 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0302","0.0263","","","0.0613","0.0635","","","","","","1.037","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206259","11.2831","0.0007","18.3289","0.0011","11.9515","0.0007","90","","90.873","0.001","90","","2471.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Mo8 N4 O26 -","- C34 H48 Mo8 N4 O26 -","- C68 H96 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0216","","","0.0588","0.06","","","","","","1.06","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206260","15.5447","0.0008","10.1543","0.0005","16.6922","0.0008","90","","90.059","0.001","90","","2634.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Mo8 N4 O26 -","- C36 H52 Mo8 N4 O26 -","- C72 H104 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0287","0.0254","","","0.0622","0.0641","","","","","","1.069","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206261","22.684","0.002","13.1384","0.0012","19.4278","0.0017","90","","108.619","0.001","90","","5487.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H112 Mo16 N8 O52 -","- C76 H112 Mo16 N8 O52 -","- C152 H224 Mo32 N16 O104 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.1013","0.0915","","","0.2277","0.2427","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206262","11.1947","0.0008","17.5265","0.0013","14.1876","0.001","90","","97.351","0.001","90","","2760.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Mo8 N4 O26 -","- C40 H60 Mo8 N4 O26 -","- C80 H120 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.033","0.0299","","","0.0796","0.0825","","","","","","1.05","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206263","12.5763","0.0008","13.0193","0.0009","17.646","0.0012","90","","99.014","0.001","90","","2853.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Mo8 N4 O26 -","- C42 H64 Mo8 N4 O26 -","- C84 H128 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0233","0.0211","","","0.0532","0.0542","","","","","","1.107","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206264","12.5475","0.0007","16.7311","0.001","14.5205","0.0008","90","","97.365","0.001","90","","3023.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mo8 N4 O26 -","- C44 H68 Mo8 N4 O26 -","- C88 H136 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0282","0.0231","","","0.054","0.0567","","","","","","1.034","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206265","5.6711","0.0011","8.1633","0.0016","8.5872","0.0017","93.01","0.004","103.997","0.004","93.971","0.004","383.83","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C20 H14 N4 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.0522","0.0408","","","0.1161","0.1209","","","","","","1.277","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206266","8.587","0.002","10.268","0.003","11.825","0.003","93.996","0.006","98.019","0.006","92.232","0.006","1028.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1853","0.0663","","","0.1431","0.1745","","","","","","0.808","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206267","10.1791","0.0005","13.7563","0.0006","16.5846","0.0008","66.855","0.002","87.383","0.003","86.095","0.003","2129.96","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Co N12 O7 -","- C50 H37 Co N12 O7 -","- C100 H74 Co2 N24 O14 -","2","1","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1171","0.0555","","","0.1276","0.1463","","","","","","1.052","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206268","11.2647","0.0013","13.312","0.0017","13.6154","0.0017","61.92","0.004","71.986","0.004","75.482","0.004","1699.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1443","0.0536","","","0.107","0.1346","","","","","","0.914","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206269","24.492","0.005","16.886","0.003","25.983","0.005","90","","90","","90","","10746","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H92 Mn4 N8 O26 S4 -","- C107.96 H92 Mn4 N8 O26 S4 -","- C431.84 H368 Mn16 N32 O104 S16 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.1268","0.0649","","","0.1582","0.1983","","","","","","1.034","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206270","12.519","0.003","22.829","0.005","11.917","0.002","90","","105.89","0.03","90","","3275.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H24 Mn2 N3 O13 S2 -","- C32 H17 Mn2 N3 O13 S2 -","- C128 H68 Mn8 N12 O52 S8 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0926","0.0752","","","0.1411","0.1474","","","","","","1.639","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206271","12.401","0.003","12.606","0.003","13.664","0.003","70.84","0.03","69.99","0.03","62.04","0.03","1736.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0445","0.0391","","","0.1164","0.1219","","","","","","1.089","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206272","9.2542","0.0019","12.022","0.002","13.235","0.003","80.84","0.03","79.36","0.03","86.47","0.03","1427.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N4 Ni O10 S -","- C24 H28 N4 Ni O10 S -","- C48 H56 N8 Ni2 O20 S2 -","2","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0687","0.0633","","","0.2047","0.213","","","","","","1.07","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206273","9.1045","0.0003","19.8708","0.0006","26.5094","0.0008","90","","97.067","0.002","90","","4759.5","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H46 N8 Ni2 O11 -","- C50 H44 N8 Ni2 O11 -","- C200 H176 N32 Ni8 O44 -","4","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0609","0.0488","","","0.1302","0.1386","","","","","","1.001","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206274","11.502","0.002","13.122","0.003","13.598","0.003","95.81","0.03","108.69","0.03","109.68","0.03","1779.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H50 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.108","0.0564","","","0.1142","0.135","","","","","","1.015","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206275","8.8825","0.0019","9.736","0.002","19.949","0.005","86.367","0.012","82.052","0.01","74.5","0.008","1645.8","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1579","0.1236","","0.247","0.2289","0.247","","","","","","1.0927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206276","20.1979","0.0006","19.3405","0.0005","9.0377","0.0002","90","","99.6836","0.001","90","","3480.16","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C144 H184 N8 O36 -","4","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.09","0.0565","","0.1309","0.1123","0.1308","","","","","","0.9514","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206277","10.2724","0.0002","13.2776","0.0002","13.7434","0.0003","68.6691","0.001","83.2934","0.0009","70.409","0.0009","1644.98","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0658","0.056","","0.1656","0.1558","0.1655","","","","","","0.908","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7206278","8.864","0.013","9.554","0.014","21.89","0.04","82.63","0.04","82.94","0.05","74.7","0.05","1766","5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N2 O10 -","- C37 H50 N2 O10 -","- C74 H100 N4 O20 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1223","0.107","","0.301","0.2861","0.301","","","","","","1.0092","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206279","8.8442","0.0001","18.9677","0.0002","23.0861","0.0003","108.763","0.0004","90.3014","0.0004","102.059","0.0005","3575.06","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H47 Cl N2 O9 -","- C36.5 H47 Cl N2 O9 -","- C146 H188 Cl4 N8 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1256","0.0885","","0.2828","0.232","0.2828","","","","","","0.9709","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206280","50.61","0.03","9.703","0.006","19.082","0.011","90","","110.46","0.006","90","","8779","9","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 F5 I N2 O9 -","- C42 H46 F5 I N2 O9 -","- C336 H368 F40 I8 N16 O72 -","8","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1126","0.0917","","0.1154","0.1028","0.1028","","","","","","1.2305","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206281","11.2663","0.0003","14.6885","0.0005","22.7937","0.0007","101.33","0.0013","102.202","0.0014","95.3807","0.0012","3578.74","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37.5 H49 N2 O9.5 -","- C37.5 H49 N2 O9.5 -","- C150 H196 N8 O38 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1387","0.0663","","0.0938","0.0587","0.0587","","","","","","1.0746","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206282","13.5639","0.0001","16.2244","0.0001","19.8583","0.0002","102.619","0.0004","92.0868","0.0004","113.495","0.0004","3873.6","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H51.25 N3.75 O9 -","- C39.5 H51.25 N3.75 O9 -","- C158 H205 N15 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0661","0.0562","","0.1441","0.1368","0.1439","","","","","","0.9236","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206283","14.5077","0.0007","15.0789","0.0007","16.3192","0.0013","107.611","0.003","100.282","0.003","110.437","0.002","3022.8","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0579","0.0389","","","0.0921","0.1011","","","","","","1.02","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206284","14.613","0.0007","15.196","0.0007","16.3954","0.0008","107.505","0.002","99.989","0.003","110.731","0.002","3083.3","0.3","181","1","181","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0739","0.0412","","","0.0872","0.0995","","","","","","1.031","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206285","14.677","0.005","15.268","0.005","16.48","0.005","107.59","0.004","99.874","0.004","110.825","0.004","3124.9","1.8","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1396","0.0671","","","0.1309","0.1541","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206286","13.5049","0.0016","14.7832","0.0018","17.414","0.002","65.672","0.002","69.922","0.002","83.052","0.002","2974.5","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1494","0.067","","","0.1414","0.1726","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206287","15.056","0.002","16.698","0.002","16.718","0.002","103.588","0.002","109.528","0.002","111.43","0.002","3368.1","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1115","0.0782","","","0.2041","0.2361","","","","","","1.011","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206288","11.385","0.005","11.484","0.005","32.225","0.005","95.42","0.005","98.059","0.005","96.035","0.005","4123","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H158 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","1","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Su, Zhong-Min","A novel 3-connected [3 + 3] topological net showing both rotaxane- and catenane-like motifs","CrystEngComm","2011","13","15","4945","","10.1039/c1ce05277b","","","0.71069","MoKα","","0.0989","0.0551","","","0.1311","0.1555","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206289","11.166","0.002","17.71","0.004","19.669","0.004","90","","97.07","0.03","90","","3860","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cd2 N3 O9 S -","- C32 H29 Cd2 N3 O9 S -","- C128 H116 Cd8 N12 O36 S4 -","4","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1191","0.0737","","","0.1171","0.1304","","","","","","1.108","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206290","9.4824","0.0019","9.584","0.0019","12.153","0.002","98.3","0.03","108.55","0.03","111.24","0.03","932.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl N2 O2 Zn -","- C21 H18 Cl N2 O2 Zn -","- C42 H36 Cl2 N4 O4 Zn2 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1611","0.095","","","0.1963","0.2299","","","","","","1.091","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206291","7.2223","0.0014","8.2583","0.0017","11.575","0.002","104.61","0.03","101.05","0.03","99.64","0.03","638.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cd Cl2 N O2 -","- C10 H12 Cd Cl2 N O2 -","- C20 H24 Cd2 Cl4 N2 O4 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.0447","0.0304","","","0.0539","0.0568","","","","","","1.123","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206292","19.008","0.004","12.186","0.002","22.35","0.005","90","","90","","90","","5177","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cd N2 O4 -","- C29 H22 Cd N2 O4 -","- C232 H176 Cd8 N16 O32 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1639","0.096","","","0.1276","0.1452","","","","","","1.184","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206293","18.327","0.004","11.613","0.002","22.078","0.004","90","","90","","90","","4698.9","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1213","0.0719","","","0.1515","0.175","","","","","","1.074","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206294","9.959","0.003","11.667","0.003","6.3044","0.0011","90","","90","","90","","732.5","0.3","293","","293","","","","400000","","","","","3","I b a m","-I 2 2c","72","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0761","0.0427","","0.1187","0.0931","0.1187","","","","","","1.0324","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206295","5.1352","0.001","9.802","0.003","6.85","0.004","90","","97.28","0.03","90","","342","0.2","293","","293","","","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C12 H16 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0754","0.0409","","0.0888","0.0808","0.0888","","","","","","1.0481","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206296","3.8056","0.0003","10.4842","0.0008","11.6286","0.001","90","","91.468","0.004","90","","463.81","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0399","0.0318","","0.087","0.0841","0.087","","","","","","0.9771","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206297","3.8808","0.0011","10.616","0.006","11.718","0.004","90","","91.24","0.02","90","","482.7","0.3","293","","293","","","","300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.1155","0.059","","0.1354","0.1143","0.1354","","","","","","1.0836","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206298","3.7643","0.0013","13.501","0.006","8.308","0.005","90","","101.22","0.03","90","","414.2","0.3","293","","293","","","","1500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0854","0.0456","","0.1118","0.0978","0.1118","","","","","","1.0658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206299","16.793","0.003","21.363","0.004","10.187","0.002","90","","106.379","0.003","90","","3506.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O7 Zn -","- C30 H30 N6 O7 Zn -","- C120 H120 N24 O28 Zn4 -","4","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.1181","0.0778","","","0.242","0.2824","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206300","18.042","0.002","19.55","0.002","17.324","0.002","90","","116.211","0.002","90","","5482.2","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Co2 N12 O9 -","- C60 H60 Co2 N12 O9 -","- C240 H240 Co8 N48 O36 -","4","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0887","0.0519","","","0.1264","0.1496","","","","","","1.078","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206301","10.2524","0.0013","10.5382","0.0013","16.458","0.002","72.288","0.002","84.972","0.002","61.58","0.002","1486.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cd N6 O6 -","- C30 H34 Cd N6 O6 -","- C60 H68 Cd2 N12 O12 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0733","0.0538","","","0.1305","0.1459","","","","","","1.096","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206302","34.981","0.005","8.4913","0.0013","18.479","0.003","90","","121.777","0.002","90","","4666.1","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N3 O5 Zn -","- C23 H26 N3 O5 Zn -","- C184 H208 N24 O40 Zn8 -","8","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0749","0.056","","","0.1672","0.1909","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206303","9.1247","0.0019","12.1808","0.0019","13.519","0.004","82.922","0.003","88.411","0.002","84.781","0.002","1484.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","1","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0469","0.0383","","","0.0983","0.1052","","","","","","1.028","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206304","9.0628","0.001","12.4562","0.0014","27.207","0.003","83.786","0.001","85.363","0.002","82.622","0.002","3021","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Cd2 N12 O8 -","- C64 H68 Cd2 N12 O8 -","- C128 H136 Cd4 N24 O16 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.086","0.0459","","","0.0954","0.134","","","","","","0.998","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206305","8.002","0.0003","15.734","0.0005","14.337","0.0006","90","","102.76","0.04","90","","1760.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1077","0.0743","","","0.2083","0.2647","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206306","9.964","0.0003","10.218","0.0003","10.579","0.0004","80.969","0.002","87.691","0.002","87.649","0.001","1062.2","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1121","0.0815","","","0.2147","0.2484","","","","","","1.157","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206307","8.2302","0.0012","23.218","0.003","8.1795","0.0012","90","","94.665","0.002","90","","1557.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2-methyl)phenylene]dioxamalate","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0578","0.0537","","","0.123","0.1254","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206308","8.0352","0.0007","16.0173","0.0014","14.398","0.0014","90","","102.681","0.002","90","","1807.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0883","0.0519","","","0.1001","0.1028","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206309","9.008","0.0018","9.551","0.0019","10.593","0.0019","94.8","0.02","99.01","0.03","109.34","0.03","840.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-(2-hydroxyethylamino)oxalyl)-1,3-(2-methyl) phenylenediamine","N,N'-Bis[2-(2-hydroxyethylamino)oxalyl]-1,3-(2-methyl) phenylenediamine","","- C15 H20 N4 O6 -","- C14.998 H19.995 N4 O5.999 -","- C29.996 H39.99 N8 O11.998 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1192","0.0804","","","0.2297","0.2432","","","","","","0.959","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206310","11.4567","0.0006","12.905","0.0007","16.4558","0.001","90","","101.828","0.002","90","","2381.3","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis-[2-(2-(2-hydroxyethoxy)ethylamino) oxalyl]-1,3-(2,4,6-trimethyl)phenylenediamine","","- C21 H32 N4 O8 -","- C21 H32 N4 O8 -","- C84 H128 N16 O32 -","4","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1085","0.0677","","","0.1568","0.1703","","","","","","0.816","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206311","13.066","0.003","24.384","0.005","13.303","0.003","90","","90","0.03","90","","4238.4","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-Bis[(2-(2-hydroxyethylamino)oxalyl)]-1,3- (5-tertbuthyl-2-methoxy)phenylenediamine","","- C19 H28 N4 O7 -","- C19 H28 N4 O7 -","- C152 H224 N32 O56 -","8","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1021","0.0551","","","0.1371","0.1858","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206312","10.093","0.003","20.139","0.005","9.676","0.002","90","","102.269","0.003","90","","1921.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0766","0.0416","","","0.0938","0.1133","","","","","","1.043","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206313","18.519","0.008","13.366","0.006","7.971","0.004","90","","113.072","0.005","90","","1815.2","1.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0679","0.0634","","","0.1649","0.1694","","","","","","1.064","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206314","9.7514","0.0013","10.143","0.0014","11.2886","0.0016","108.396","0.001","106.263","0.001","102.921","0.001","955.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br N4 Ni O5 -","- C17 H17 Br N4 Ni O5 -","- C34 H34 Br2 N8 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0374","0.0279","","","0.0603","0.065","","","","","","1.025","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206315","10.1385","0.001","17.0608","0.0017","21.875","0.002","90","","90","","90","","3783.7","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Br N4 Ni O4 -","- C18 H17 Br N4 Ni O4 -","- C144 H136 Br8 N32 Ni8 O32 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0588","0.0348","","","0.0671","0.0771","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206316","10.07","0.002","10.547","0.002","10.69","0.002","71.61","0.03","68.23","0.03","62.68","0.03","922.1","0.4","100","3","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Fe N3 O6 S4 -","- C14 H12 Fe N3 O6 S4 -","- C28 H24 Fe2 N6 O12 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0335","0.028","","","0.0674","0.0701","","","","","","0.991","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206317","13.464","0.003","12.053","0.002","14.304","0.003","90","","95.68","0.03","90","","2309.9","0.8","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H20 Fe N5 O7 S4 -","- C14 H20 Fe N5 O7 S4 -","- C56 H80 Fe4 N20 O28 S16 -","4","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0324","0.0299","","","0.0741","0.0755","","","","","","1.075","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206318","16.093","0.003","13.984","0.003","16.47","0.003","90","","90","","90","","3706.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Fe N3 O5 S4 -","- C14 H10 Fe N3 O5 S4 -","- C112 H80 Fe8 N24 O40 S32 -","8","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0345","0.028","","","0.0661","0.0695","","","","","","1.041","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206319","8.4799","0.0014","15.706","0.003","5.75","0.001","90","","90","","90","","765.8","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H4 Br N3 O3 Pb -","- C3 H4 Br N3 O3 Pb -","- C12 H16 Br4 N12 O12 Pb4 -","4","1","","Safarifard, Vahid; Morsali, Ali","Reversible crystal-to-crystal transformation of a 3D‒3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology","CrystEngComm","2011","13","15","4817","","10.1039/c1ce05311f","","","0.71073","MoKα","","0.026","0.0237","","","0.0528","0.0534","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206320","30.125","0.011","9.449","0.003","12.692","0.005","90","","90","","90","","3613","2","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H26 Eu N6 S3 Sb -","- C8 H26 Eu N6 S3 Sb -","- C64 H208 Eu8 N48 S24 Sb8 -","8","1","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.0344","0.0313","","","0.0788","0.0812","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206321","27.566","0.007","8.4157","0.0017","18.003","0.007","90","","116.71","0.03","90","","3731","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C64 H208 Cl8 Eu8 N48 S20 Sb8 -","4","0.5","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.065","0.0445","","","0.0796","0.0828","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206322","8.6551","0.0002","12.9917","0.0004","19.0093","0.0004","109.596","0.002","96.091","0.002","90.55","0.002","1999.99","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F4 I2 N O -","- C18 H16 F4 I2 N O -","- C72 H64 F16 I8 N4 O4 -","4","2","","Davy, Karl J. P.; McMurtrie, John; Rintoul, Llew; Bernhardt, Paul V.; Micallef, Aaron S.","Vapour phase assembly of a halogen bonded complex of an isoindoline nitroxide and 1,2-diiodotetrafluorobenzene","CrystEngComm","2011","13","16","5062","","10.1039/c1ce05344b","","","0.71073","MoKα","","0.0709","0.0342","","","0.0392","0.041","","","","","","0.945","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206323","14.9609","0.0009","26.488","0.0016","15.382","0.0009","90","","109.998","0.001","90","","5728.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H58.5 Cd3 N10 O19.25 -","- C56 H54 Cd3 N10 O19.25 -","- C224 H216 Cd12 N40 O77 -","4","0.5","","He, Jianghong; Chen, Haiyan; Xiao, Dongrong; Sun, Dianzhen; Zhang, Guangju; Yan, Shiwei; Xin, Guanghua; Yuan, Ruo; Wang, Enbo","An unprecedented 3-fold interpenetrated double-edged pseudo-diamondoid network containing exceptional 5-fold interlocking tri-flexure helices and 15-fold interwoven helices","CrystEngComm","2011","13","15","4841","","10.1039/c1ce05349c","","","0.71073","MoKα","","0.0292","0.0249","","","0.0858","0.0903","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206324","29.536","0.002","29.536","0.002","41.76","0.006","90","","90","","120","","31550","5","100","2","100","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C120 H108 N4 O40 Zn8 -","- C120 H76 N4 O38.445 Zn8 -","- C720 H456 N24 O230.67 Zn48 -","6","1","","Han, Shuangbing; Ma, Zhenbo; Wei, Yanhu; Kravtsov, Victor Ch.; Luisi, Brian S.; Kulaots, Indrek; Moulton, Brian","A single-crystalline microporous coordination polymer with mixed parallel and diagonal interpenetrating α-Po networks","CrystEngComm","2011","13","15","4838","","10.1039/c1ce05354j","","","0.71073","MoKα","","0.1092","0.0788","","","0.2074","0.2165","","","","","","1.008","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206325","13.175","0.004","13.175","0.004","13.175","0.004","104","","104","","104","","2040.5","1.1","296","2","296","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C12 H66 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","1","0.166667","","Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping","A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)","CrystEngComm","2011","13","15","4834","","10.1039/c1ce05358b","","","0.71073","MoKα","","0.0557","0.0405","","","0.0997","0.1069","","","","","","1.072","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206326","10.5015","0.0003","19.8003","0.0004","21.249","0.0005","90","","103.696","0.002","90","","4292.73","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cd2 N8 O8 -","- C46 H28 Cd2 N8 O8 -","- C184 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.063","0.0452","","","0.1188","0.1258","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206327","9.3505","0.0004","20.6898","0.0009","20.1672","0.0009","90","","101.284","0.002","90","","3826.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O8 -","- C42 H28 Cd2 N8 O8 -","- C168 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0419","0.0313","","","0.0775","0.0849","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206328","20.0411","0.0003","8.3805","0.0001","13.2718","0.0002","90","","93.905","0.001","90","","2223.88","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N4 O9 Pb3 -","- C22 H12 N4 O9 Pb3 -","- C88 H48 N16 O36 Pb12 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0603","0.0544","","","0.1827","0.1905","","","","","","1.073","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206329","27.28","0.003","31.413","0.004","6.6156","0.0008","90","","90","","90","","5669.2","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H26 N4 O14 Sr -","- C22 H26 N4 O14 Sr -","- C176 H208 N32 O112 Sr8 -","8","0.5","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0312","0.0243","","","0.0539","0.0559","","","","","","1.007","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206330","11.9677","0.0011","12.2012","0.0011","14.7386","0.0013","67.613","0.001","74.527","0.001","63.724","0.001","1771.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H72 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.036","0.0316","","","0.0925","0.1037","","","","","","1.117","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206331","11.7581","0.0013","13.0974","0.0014","14.6365","0.0016","106.167","0.001","108.385","0.001","107.433","0.001","1859.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H74 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0283","0.0263","","","0.0837","0.0858","","","","","","1.102","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206332","13.2131","0.0008","22.1308","0.0013","13.6152","0.0008","90","","103.464","0.001","90","","3871.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H90 Mn Mo12 N12 O70 P8 -","- C16 H90 Mn Mo12 N12 O70 P8 -","- C32 H180 Mn2 Mo24 N24 O140 P16 -","2","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0306","0.0248","","","0.0634","0.0658","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206333","32.322","0.002","12.1782","0.0009","22.691","0.0017","90","","128.238","0.001","90","","7015.4","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H68 Cu2 Mo12 N10 O65 P8 -","- C10 H50 Cu2 Mo12 N10 O65 P8 -","- C40 H200 Cu8 Mo48 N40 O260 P32 -","4","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0334","0.0275","","","0.0819","0.0906","","","","","","1.086","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206334","14.347","0.0018","14.347","0.0018","20.408","0.002","90","","90","","120","","3637.9","0.7","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 N12 O35 Zn11 -","- C48 H60 N12 O35 Zn11 -","- C96 H120 N24 O70 Zn22 -","2","0.166667","","Zeng, Rong-Rong; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","An unusual (3,6)-connected microporous metal‒organic framework based on tetrahedral Zn4 clusters with selective adsorption of CO2","CrystEngComm","2011","13","15","4823","","10.1039/c1ce05429e","","","0.71073","MoKα","","0.1019","0.0662","","","0.1703","0.192","","","","","","1.048","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206335","17.8722","0.0008","17.8722","0.0008","14.3521","0.0013","90","","90","","90","","4584.3","0.5","293","2","293","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C24 H22 Cd8 F3 N35 S2 -","- C24 H22 Cd8 F3 N35 S2 -","- C96 H88 Cd32 F12 N140 S8 -","4","0.25","","Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Batten, Stuart R.","An unusual uninodal 10-connected self-penetrating network built from sixteen-nuclear hybrid cadmium clusters","CrystEngComm","2011","13","14","4508","","10.1039/c1ce05462g","","","0.71073","MoKα","","0.0628","0.0415","","","0.0881","0.0986","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206336","9.0589","0.0003","6.197","0.0002","8.6426","0.0003","90","","105.932","0.003","90","","466.54","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Br4 O2 -","- C6 Br4 O2 -","- C12 Br8 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0353","","","","0.0949","","","","","","1.09","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206337","7.594","0.0002","10.6229","0.0004","16.928","0.0005","91.426","0.003","91.085","0.003","100.728","0.003","1340.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Br4 K O3 -","- C9 H6 Br4 K O3 -","- C36 H24 Br16 K4 O12 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54179","CuKα","","","0.0787","","","","0.233","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206338","10.4655","0.0001","16.7229","0.0002","7.4574","0.0001","90","","102.892","0.001","90","","1272.25","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 K O3 -","- C9 H6 Cl4 K O3 -","- C36 H24 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54184","CuKα","","","0.0369","","","","0.0962","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206339","8.1909","0.0003","3.6689","0.0003","15.5125","0.0006","90","","97.712","0.003","90","","461.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br4 Na O2 -","- C6 Br4 Na O2 -","- C12 Br8 Na2 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.072","","","","0.2649","","","","","","1.092","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206340","4.3382","0.0001","13.864","0.0002","17.4665","0.0002","90","","90","","90","","1050.52","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54184","CuKα","","","0.045","","","","0.1241","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206341","4.334","0.0001","13.5784","0.0003","17.4009","0.0003","90","","90","","90","","1024.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.043","","","","0.1115","","","","","","1.104","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206342","10.4749","0.0001","16.96","0.0001","7.6663","0.0001","90","","103.267","0.001","90","","1325.6","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 O3 Rb -","- C9 H6 Cl4 O3 Rb -","- C36 H24 Cl16 O12 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0333","","","","0.0898","","","","","","1.074","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206357","18.2426","0.0005","18.2426","0.0005","8.5167","0.0003","90","","90","","90","","2834.29","0.15","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C29 H24 N4 O12 -","- C29 H24 N4 O12 -","- C116 H96 N16 O48 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0684","0.0534","","","0.1279","0.1385","","","","","","1.071","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206358","12.114","0.0005","12.114","0.0005","8.9974","0.0005","90","","90","","90","","1320.36","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4","P -4","81","","","","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","1","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0841","0.059","","","0.1703","0.1884","","","","","","0.959","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206359","8.6311","0.0005","8.7661","0.0005","10.5768","0.0007","66.499","0.003","79.521","0.003","62.868","0.002","653.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.053","0.0444","","","0.119","0.1258","","","","","","1.055","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206360","7.6474","0.0007","8.8813","0.0008","11.2042","0.0011","95.515","0.005","105.036","0.005","109.059","0.004","680.87","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C26 H34 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0658","0.0455","","","0.1157","0.1274","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206361","8.8953","0.0002","9.5137","0.0005","10.4456","0.0003","106.759","0.001","108.95","0.001","99.042","0.001","769.25","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0368","0.0346","","","0.0978","0.0998","","","","","","1.047","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206362","6.8377","0.0003","8.6356","0.0004","13.3174","0.0007","90.211","0.002","104.461","0.002","109.951","0.002","712.33","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0406","0.038","","","0.1068","0.109","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206363","7.0986","0.0002","7.1127","0.0002","10.466","0.0002","98.291","0.001","92.733","0.001","98.19","0.001","516.32","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.033","0.032","","","0.0902","0.0911","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206364","16.7326","0.0006","13.6932","0.0006","8.1323","0.0004","90","","92.992","0.002","90","","1860.76","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C64 H96 N24 O32 -","4","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0578","0.0384","","","0.085","0.0933","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206365","4.5537","0.0006","9.3845","0.0011","11.1398","0.0014","79.342","0.004","85.338","0.005","85.904","0.004","465.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0446","0.0364","","","0.0935","0.098","","","","","","1.061","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206366","22.979","0.01","10.157","0.004","15.902","0.007","90","","118.944","0.004","90","","3248","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Br5 Cu3 N4 O4 -","- C22 H36 Br5 Cu3 N4 O4 -","- C88 H144 Br20 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.0973","0.0624","","","0.179","0.2024","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206367","23.267","0.003","11.0415","0.0016","15.727","0.002","90","","122.907","0.002","90","","3392.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Br3 Cu3 N4 O4 -","- C26 H46 Br3 Cu3 N4 O4 -","- C104 H184 Br12 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.1291","0.0712","","","0.2055","0.2423","","","","","","1.024","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206368","8.7502","0.0011","5.059","0.002","21.53","0.02","90","","96.37","0.03","90","","947.2","1","294","","294","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H5 Li O2 -","- C4 H5 Li O2 -","- C32 H40 Li8 O16 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","1.54178","CuKα","","0.0981","0.0552","","0.119","0.068","0.068","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206369","23.2503","0.0007","4.9968","0.0003","14.8231","0.0005","90","","120.128","0.0014","90","","1489.46","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 Li N O3 -","- C5 H8 Li N O3 -","- C40 H64 Li8 N8 O24 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","0.71073","MoKα","","0.0498","0.0336","","0.0925","0.0864","0.0925","","","","","","0.9799","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206370","10.9611","0.0013","16.2605","0.0018","21.915","0.003","90","","90","","90","","3906","0.8","273","2","273","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C96 H240 Cl16 Co4 Cu8 N24 Ni8 O24 -","4","0.5","","Nesterov, Dmytro S.; Graiff, Claudia; Tiripicchio, Antonio; Pombeiro, Armando J. L.","Direct synthesis and crystal structure of a new pentanuclear heterotrimetallic Cu/Co/Ni complex with 2-(dimethylamino)ethanol. Discussion of possible “butterfly-like” molecular structure types","CrystEngComm","2011","13","17","5348","","10.1039/c1ce05049d","","","0.71073","MoKα","","0.0401","0.0276","","","0.077","0.0829","","","","","","0.948","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206371","7.7391","0.0004","5.2338","0.0002","26.9102","0.0013","90","","90.321","0.005","90","","1089.98","0.09","294","2","294","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","NppM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0816","0.0512","","","0.1285","0.1405","","","","","","0.97","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206372","8.2919","0.0003","10.26","0.0003","13.5713","0.0004","90","","100.919","0.003","90","","1133.67","0.06","294","2","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NpmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0623","0.0342","","","0.0774","0.0827","","","","","","0.896","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206373","13.0101","0.0006","10.4826","0.0003","9.7957","0.0004","90","","122.729","0.006","90","","1123.84","0.11","294","2","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","NpoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.036","0.03","","","0.0785","0.0805","","","","","","0.993","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206374","10.5017","0.0005","4.8807","0.0002","21.3459","0.0009","90","","100.868","0.004","90","","1074.47","0.08","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NmpM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0993","0.0363","","","0.065","0.073","","","","","","0.766","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206375","9.3767","0.0004","9.9187","0.0003","12.3386","0.0004","86.958","0.003","86.98","0.003","71.41","0.003","1085.36","0.07","294","2","294","1","","","","","","","","4","P -1","-P 1","2","NmmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0754","0.0565","","","0.1735","0.1789","","","","","","1.094","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206376","8.0664","0.0002","9.4009","0.0002","29.5324","0.0008","90","","90","","90","","2239.48","0.1","294","2","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","NmoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.066","0.0396","","","0.1002","0.107","","","","","","0.977","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206377","6.0828","0.0002","27.0507","0.0008","7.1963","0.0003","90","","111.673","0.004","90","","1100.4","0.07","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NopM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0664","0.0347","","","0.0759","0.0828","","","","","","0.842","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206378","9.2326","0.0004","14.0836","0.0004","9.4162","0.0004","90","","105.661","0.004","90","","1178.92","0.08","294","2","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","NomM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1375","0.0292","","","0.0362","0.0446","","","","","","0.667","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206379","7.7696","0.0002","17.6232","0.0003","8.8462","0.0003","90","","114.817","0.004","90","","1099.41","0.06","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NooM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0613","0.0365","","","0.0881","0.0934","","","","","","0.926","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206380","7.36124","0.00011","14.41068","0.00019","11.21075","0.00016","90","","90","","90","","1189.24","0.03","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Cl_NopM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0297","0.026","","","0.0639","0.0652","","","","","","0.983","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206381","7.417","0.002","21.006","0.004","8.546","0.002","90","","115.28","0.03","90","","1204","0.6","294","2","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl-NomM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1192","0.0657","","","0.2127","0.2332","","","","","","1.004","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206382","7.3288","0.0006","7.4392","0.0005","21.5025","0.0014","90","","91.481","0.007","90","","1171.93","0.15","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl_NooM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0531","0.0375","","","0.099","0.1034","","","","","","1.068","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206383","19.87","0.002","10.8608","0.0009","4.9241","0.0005","90","","90","","90","","1062.64","0.18","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","NmpFM","","","- C25 H21 F N4 O2 -","- C25 H21 F N4 O2 -","- C50 H42 F2 N8 O4 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0448","0.0348","","","0.0888","0.0926","","","","","","1.049","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206384","9.29748","0.00017","17.0234","0.0003","11.6312","0.0002","90","","96.4898","0.0007","90","","1829.13","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O2 -","- C40 H42 N6 O2 -","- C80 H84 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.051","","","","0.0799","","","","","","1.342","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206385","9.05098","0.00016","18.4036","0.0003","10.30599","0.00019","90","","95.8851","0.0007","90","","1707.63","0.05","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N6 O2 -","- C38 H38 N6 O2 -","- C76 H76 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0573","","","","0.0923","","","","","","1.783","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206386","10.17467","0.00018","10.78264","0.00019","14.7446","0.0003","108.431","0.0007","93.431","0.0007","105.419","0.0007","1460.99","0.05","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C60 H76 N12 O4 -","2","1","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0702","","","","0.1067","","","","","","1.911","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206387","8.2371","0.0004","8.8466","0.0004","11.253","0.0005","89.726","0.003","70.2419","0.0019","83.791","0.003","766.76","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0762","","","","0.2816","","","","","","1.201","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206388","8.248","0.0003","23.4817","0.0007","9.0521","0.0003","90","","94.551","0.0016","90","","1747.66","0.1","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H50 N6 O2 -","- C36 H50 N6 O2 -","- C72 H100 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0527","","","","0.0794","","","","","","1.214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206389","8.1103","0.0005","9.1024","0.0006","14.0291","0.001","80.067","0.003","88.748","0.004","78.422","0.003","999.3","0.12","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0758","","","","0.2376","","","","","","0.84","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206390","8.041","0.0009","9.1576","0.0011","14.7496","0.0018","80.917","0.006","83.981","0.006","78.266","0.005","1047.1","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.082","","","","0.2802","","","","","","1.111","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206391","8.1175","0.0003","12.4218","0.0004","13.0984","0.0004","62.6097","0.0016","86.3048","0.0019","76.9618","0.0018","1141.28","0.07","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0693","","","","0.0932","","","","","","1.383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206392","6.5447","0.0002","7.4781","0.0003","8.7578","0.0003","90","","93.8955","0.0014","90","","427.63","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H8 Er N O8 -","- C4 H8 Er N O8 -","- C8 H16 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0532","0.0541","","","","","","0.997","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206393","6.6118","0.0001","7.5662","0.0002","9.2756","0.0002","90","","99.8267","0.0012","90","","457.215","0.017","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H10 Er N O8 -","- C5 H10 Er N O8 -","- C10 H20 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0232","0.0214","","","0.0488","0.0492","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206394","6.6552","0.0002","18.3549","0.0005","8.4346","0.0003","90","","90","","90","","1030.33","0.06","290","","290","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0294","0.0224","","","0.0428","0.0439","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206395","6.6456","0.0003","8.0898","0.0003","20.1549","0.001","90","","90","","90","","1083.56","0.08","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0585","0.0317","","","0.0487","0.0524","","","","","","0.917","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206396","6.6973","0.0001","8.2497","0.0002","20.3822","0.0006","90","","90","","90","","1126.13","0.05","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Er N2 O8 -","- C7 H9 Er N2 O8 -","- C28 H36 Er4 N8 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0415","0.0252","","","0.0476","0.05","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206397","6.6349","0.0002","8.6371","0.0003","9.6727","0.0003","90","","102.101","0.002","90","","541.99","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O8 -","- C6 H12 Er N O8 -","- C12 H24 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0339","0.0252","","","0.0443","0.0455","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206398","6.6243","0.0002","8.6345","0.0003","9.7545","0.0002","90","","102.599","0.0014","90","","544.5","0.03","293","2","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O9 -","- C6 H12 Er N O9 -","- C12 H24 Er2 N2 O18 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.025","0.0204","","","0.0387","0.0395","","","","","","0.994","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206399","16.283","0.003","20.73","0.004","7.3864","0.0013","90","","114.943","0.002","90","","2260.7","0.7","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl2 O5 -","- C22 H22 Cl2 O5 -","- C88 H88 Cl8 O20 -","4","0.5","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0809","0.059","","","0.1896","0.206","","","","","","1.111","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206400","7.6152","0.0007","9.7211","0.0009","13.3979","0.0012","73.869","0.001","84.374","0.001","89.451","0.001","948.02","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C44 H44 Cl4 O6 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.044","0.0373","","","0.0996","0.1044","","","","","","1.06","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206401","23.981","0.007","23.981","0.007","17.162","0.005","90","","90","","120","","8547","4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C396 H396 Cl36 O54 -","18","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0674","0.0508","","","0.1368","0.1484","","","","","","1.074","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206402","28.67338","0.00023","11.152871","0.000061","10.668212","0.000055","90","","90","","90","","3411.59","0.04","298","2","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Propylthiouracil","6-propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","","Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos","Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction","CrystEngComm","2011","13","17","5474","","10.1039/c1ce05362k","powder diffraction","","1.23982","synchrotron","","","","","","","","0.01572","0.0157","1.6","","","","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206403","9.959","0.0005","10.0093","0.0005","11.8264","0.0006","94.823","0.001","110.532","0.001","118.443","0.001","924.49","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","1","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0267","0.0248","","","0.0677","0.0693","","","","","","1.061","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206404","7.5589","0.0005","13.892","0.0008","18.9818","0.0012","90","","97.233","0.001","90","","1977.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Cu4 N10 O15.5 -","- C34 H37 Cu4 N10 O15.5 -","- C68 H74 Cu8 N20 O31 -","2","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0511","0.0364","","","0.0837","0.0921","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206405","18.87","0.002","18.87","0.002","9.7466","0.0012","90","","90","","120","","3005.6","0.6","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H56 Cl3 Co N18 O19 -","- C42 H30 Cl3 Co N18 O19 -","- C84 H60 Cl6 Co2 N36 O38 -","2","0.166667","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Erxleben, Andrea; Pachfule, Pradip; Banerjee, Rahul","Hydrogen bond directed honeycomb-like porous network structure of tris(bipyridyl-glycoluril)cobalt(iii) chloride","CrystEngComm","2011","13","17","5289","","10.1039/c1ce05376k","","","0.71073","MoKα","","0.1212","0.1015","","","0.2574","0.273","","","","","","1.273","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206406","9.4301","0.0007","9.4986","0.0007","12.5942","0.0009","105.235","0.002","101.467","0.002","93.622","0.002","1058.75","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0379","0.0304","","","0.076","0.0834","","","","","","1.103","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206407","15.0369","0.0005","17.5722","0.0006","24.6552","0.0008","89.796","0.002","73.261","0.002","72.496","0.002","5925.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H50 N6 Ni O4 P2 S4 -","- C30 H50 N6 Ni O4 P2 S4 -","- C180 H300 N36 Ni6 O24 P12 S24 -","6","3","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0983","0.0468","","","0.0989","0.1213","","","","","","1.006","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206408","10.67","0.0006","10.9118","0.0007","11.7075","0.0007","106.238","0.003","94.151","0.003","91.344","0.003","1303.92","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H46 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0292","0.0271","","","0.0779","0.0798","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206409","10.2656","0.0007","15.8195","0.0009","32.146","0.002","90","","96.754","0.004","90","","5184.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C96 H84 Cr4 Mn6 Mo24 N12 O164 -","2","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0393","0.0319","","","0.0879","0.0926","","","","","","1.058","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206410","14.275","0.002","14.3852","0.0019","15.755","0.002","115.364","0.007","93.342","0.009","112.53","0.007","2602.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0887","0.0447","","","0.1147","0.1324","","","","","","1.012","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206411","18.918","0.0013","7.3603","0.0004","12.9038","0.0007","90","","96.722","0.002","90","","1784.4","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N8 O9 -","- C14 H14 Cu N8 O9 -","- C56 H56 Cu4 N32 O36 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0265","0.0258","","","0.0718","0.0723","","","","","","1.047","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206412","8.2308","0.0003","18.9146","0.0006","11.7353","0.0004","90","","91.232","0.001","90","","1826.56","0.11","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H28 Cl2 Cu3 N16 O21 -","- C18 H24 Cl2 Cu3 N17 O21 -","- C36 H48 Cl4 Cu6 N34 O42 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0499","0.047","","","0.1375","0.1408","","","","","","1.06","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206413","7.067","0.004","7.563","0.004","9.867","0.005","69.266","0.007","88.868","0.008","75.042","0.007","475","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.027","0.0259","","","0.0683","0.0692","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206414","10.1419","0.0014","8.3005","0.0011","24.505","0.003","90","","108.03","0.005","90","","1961.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.5 Cu2 N8 O10.25 -","- C14 H14 Cu2 N8 O10.25 -","- C56 H56 Cu8 N32 O41 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0486","0.0378","","","0.0871","0.0918","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206415","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206416","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206417","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7206418","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206419","8.0916","0.0003","11.3472","0.0005","13.267","0.0004","90","","105.773","0.002","90","","1172.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","propallylonal, noctal, nostal, quietal, ibomal","5-Isopropyl-5-(2-bromoallyl)-barbituric acid","","- C10 H13 Br N2 O3 -","- C10 H13 Br N2 O3 -","- C40 H52 Br4 N8 O12 -","4","1","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0671","0.0439","","","0.092","0.0992","","","","","","1.052","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206420","11.544","0.0003","11.5528","0.0003","20.0656","0.0005","90","","100.481","0.003","90","","2631.41","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C64 H32 Cl32 N32 O48 -","16","4","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0261","0.0235","","","0.0567","0.0572","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206421","11.3096","0.0003","12.9226","0.0004","29.1608","0.0008","90","","90","","90","","4261.8","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C96 H48 Cl48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0389","0.03","","","0.0638","0.0671","","","","","","1.045","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206422","11.4204","0.0002","12.9897","0.0003","30.0304","0.0008","90","","90","","90","","4454.94","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C96 H48 Br48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0742","0.0519","","","0.0991","0.1078","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206423","17.5105","0.0012","6.6869","0.0003","13.6714","0.0009","90","","110.493","0.008","90","","1499.49","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C32 H16 Br16 N16 O24 -","8","2","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0597","0.0349","","","0.0668","0.0696","","","","","","0.883","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206424","5.2387","0.0008","7.0211","0.0011","33.169","0.006","90.775","0.017","92.741","0.012","101.073","0.008","1195.6","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C21 H40 N4 O4 -","- C21 H40 N4 O4 -","- C42 H80 N8 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1229","0.0817","","","0.2076","0.2417","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206425","51.63","0.004","4.7775","0.0003","4.129","0.0003","90","","90","","90","","1018.47","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P m n 21","P 2ac -2","31","","","","- C17 H33 N5 O4 -","- C17 H33 N5 O4 -","- C34 H66 N10 O8 -","2","0.5","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.0831","0.0793","","","0.2398","0.2424","","","","","","1.002","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206426","5.404","0.0007","5.4119","0.0008","40.042","0.007","90","","96.158","0.009","90","","1164.3","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H41 N3 O4 -","- C22 H41 N3 O4 -","- C44 H82 N6 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1601","0.1129","","","0.3017","0.3339","","","","","","1.074","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206427","11.3496","0.0012","16.7326","0.0019","17.71","0.002","90","","98.499","0.001","90","","3326.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N4 O6 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1086","0.0485","","","0.07","0.08","","","","","","0.98","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206428","14.7035","0.0014","17.1809","0.0017","16.0916","0.0016","90","","104.6","0.001","90","","3933.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 N6 O8 Zn -","- C43 H42 N6 O8 Zn -","- C172 H168 N24 O32 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1097","0.0512","","","0.1107","0.1279","","","","","","0.996","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206429","11.683","0.01","15.571","0.014","26.71","0.02","90","","90","","90","","4859","7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.1 H53.9 N7.7 O9.7 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1387","0.0623","","","0.0975","0.1057","","","","","","0.85","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206430","9.7267","0.0006","10.5251","0.0007","34.007","0.002","90","","90","","90","","3481.4","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl6 N6 O8 -","- C26.75 H23.75 Cl5.25 N6 O8 -","- C107 H95 Cl21 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.0961","0.059","","","0.1687","0.206","","","","","","1.038","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206431","9.754","0.001","10.353","0.001","31.859","0.003","90","","90","","90","","3217.2","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl6 N6 O8 -","- C25 H24 Cl6 N6 O8 -","- C100 H96 Cl24 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.1195","0.0578","","","0.1242","0.1686","","","","","","1.218","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206432","22.5402","0.0006","16.4113","0.0003","15.8608","0.0005","90","","117.669","0.004","90","","5196.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54178","CuKα","","0.0838","0.0636","","","0.1527","0.1613","","","","","","0.935","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206433","12.897","0.005","13.785","0.005","29.519","0.005","90","0.005","95.998","0.005","90","0.005","5219","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","1","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54184","CuKα","","0.1362","0.0685","","","0.1519","0.1746","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206465","7.759","0.005","23.455","0.005","13.184","0.005","90","0.005","97.128","0.005","90","0.005","2380.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H11 Ag N5 O3.5 -","- C8.5 H10 Ag N5 O3.5 -","- C68 H80 Ag8 N40 O28 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0603","0.0411","","","0.1155","0.1217","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206466","14.335","0.005","14.335","0.005","12.058","0.005","90","","90","","90","","2477.8","1.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4.25 H5 Ag Br N2 -","- C4.25 H5 Ag Br N2 -","- C68 H80 Ag16 Br16 N32 -","16","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71069","MoKα","","0.0395","0.0271","","","0.061","0.0628","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206467","19.3312","0.0014","27.3761","0.0014","13.1924","0.0009","90","","114.059","0.009","90","","6375.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H34.5 Ag2 N8 O10.25 -","- C21 H20 Ag2 N8 O10.25 -","- C168 H160 Ag16 N64 O82 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.207","0.0616","","","0.1408","0.169","","","","","","0.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206468","11.468","0.005","11.741","0.005","12.142","0.005","85.682","0.005","65.808","0.005","77.33","0.005","1454.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Ag2 N8 O8 -","- C25 H32 Ag2 N8 O8 -","- C50 H64 Ag4 N16 O16 -","2","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0547","0.0376","","","0.0939","0.099","","","","","","1.024","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206469","11.406","0.005","17.637","0.005","16.979","0.005","90","0.005","106.836","0.005","90","0.005","3269","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Ag2 N8 O11.5 -","- C25 H35 Ag2 N8 O11.5 -","- C100 H140 Ag8 N32 O46 -","4","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0713","0.0385","","","0.0898","0.0971","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206470","3.8494","0.0019","3.8494","0.0019","4.894","0.005","90","","90","","90","","72.52","0.09","296","2","296","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Guo, Y. Q.; Tan, R. Q.; Li, X.; Zhao, J. H.; Luo, Z. L.; Gao, C.; Song, W. J.","Shape-controlled growth and single-crystal XRD study of submillimeter-sized single crystals of SnO","CrystEngComm","2011","13","19","5677","","10.1039/c0ce00949k","","","0.71073","MoKα","","0.0449","0.0449","","","0.0966","0.0966","","","","","","1.407","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206473","8.0956","0.0002","9.4197","0.0002","24.9028","0.0006","100.218","0.0019","94.2642","0.0018","94.0046","0.0018","1857.07","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Cu6 I9 N3 -","- C12 H36 Cu6 I9 N3 -","- C24 H72 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0561","0.0465","","","0.136","0.1385","","","","2.07","2.07","1.94","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206474","17.7014","0.0004","11.4494","0.0003","10.9541","0.0006","90","","90","","90","","2220.07","0.14","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H28 Cu3 I4 N -","- C12 H28 Cu3 I4 N -","- C48 H112 Cu12 I16 N4 -","4","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0789","0.0388","","","0.0819","0.0946","","","","1.08","1.08","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206475","24.8265","0.0004","24.8265","0.0004","55.983","0.008","90","","102.811","","90","","33646","5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C217.5 Cu26 I40 N14 -","- C217.5 Cu26 I40 N14 -","- C870 Cu104 I160 N56 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.1254","0.0913","","","0.0947","0.0963","","","","3.16","3.16","2.61","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206476","12.5384","0.0001","24.4794","0.0004","14.7686","0.0002","90","","110.433","0.0015","90","","4247.76","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H132 Cu6 I9 N3 -","- C60 H132 Cu6 I9 N3 -","- C120 H264 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0324","0.0324","","","0.0641","0.0649","","","","0.74","0.74","0.74","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206477","19.5502","0.0003","18.6851","0.0003","28.3015","0.0006","90","","91.4321","0.0015","90","","10335.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H312 Cu17 I23 N6 -","- C80 Cu17 I23 N6 -","- C160 Cu34 I46 N12 -","2","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.2161","0.0881","","","0.1992","0.2155","","","","2.88","2.88","1.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206478","11.7445","0.0006","20.9082","0.001","29.5195","0.0019","90","","97.908","0.005","90","","7179.8","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.744 H92.435 Cu4 I6 N2 -","- C56 H90 Cu4 I6 N2 -","- C224 H360 Cu16 I24 N8 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.3622","0.0585","","","0.1071","0.2141","","","","1.02","1.02","0.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206479","14.1659","0.0004","15.115","0.0004","15.5887","0.0004","73.08","0.001","64.458","0.001","88.402","0.002","2862.77","0.14","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","1","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0597","0.0387","","0.0809","0.0403","0.0386","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206480","23.3664","0.0008","37.452","0.002","12.1573","0.0008","90","","105.626","0.006","90","","10245.9","1","180","","180","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C85 H108 K2 Mo N17 Ni3 O14 S6 -","- C85 H104 K2 Mo N17 Ni3 O14 S6 -","- C340 H416 K8 Mo4 N68 Ni12 O56 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1509","0.062","","0.1563","0.0641","0.0653","","","","","","1.0872","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206481","23.4893","0.0011","33.2913","0.0015","15.1039","0.0006","90","","116.265","0.002","90","","10591.7","0.8","180","","180","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C392 H464 Mo4 N60 Na8 Ni16 O64 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0766","0.04","","0.083","0.0414","0.0392","","","","","","1.0906","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206482","7.403","0.0005","16.486","0.001","18.0343","0.0011","90","","90","","90","","2201","0.2","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H24 Cu K N3 O4 S -","- C22 H24 Cu K N3 O4 S -","- C88 H96 Cu4 K4 N12 O16 S4 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.045","0.0317","","0.0459","0.0385","0.0373","","","","","","1.0364","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206483","18.19","0.009","18.19","0.009","11.78","0.005","90","","90","","120","","3376","3","110","","110","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C40 H47 K N4 Ni2 O10 -","- C40 H44 K N4 Ni2 O10 -","- C120 H132 K3 N12 Ni6 O30 -","3","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1189","0.0862","","0.1274","0.0892","0.0859","","","","","","1.0524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206484","19.772","0.004","9.997","0.002","23.51","0.005","90","","105.5","0.03","90","","4478","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cd N6 O6 -","- C21 H25 Cd N6 O6 -","- C168 H200 Cd8 N48 O48 -","8","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0458","0.0402","","","0.1111","0.115","","","","","","1.171","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206485","10.233","0.002","14.009","0.003","14.022","0.003","67.35","0.03","84.67","0.03","71.07","0.03","1753.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd N9 O8 -","- C33 H38 Cd N9 O8 -","- C66 H76 Cd2 N18 O16 -","2","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0574","0.0508","","","0.1305","0.1357","","","","","","1.113","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206486","16.654","0.003","14.174","0.003","11.524","0.002","90","","90","","90","","2720.3","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 Co N6 O8 -","- C25 H28 Co N6 O8 -","- C100 H112 Co4 N24 O32 -","4","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0575","0.0545","","","0.112","0.1136","","","","","","1.218","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206487","4.9675","0.001","9.4623","0.0019","11.725","0.002","89.81","0.03","89.29","0.03","79.03","0.03","541.01","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","1","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0757","0.0721","","","0.2002","0.2034","","","","","","1.182","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206488","4.4497","0.0009","8.131","0.0016","21.526","0.005","90","","101.42","0.03","90","","763.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C32 H40 N12 -","2","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0896","0.0738","","","0.2176","0.2396","","","","","","1.19","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206489","19.7268","0.0004","8.3772","0.0002","10.1372","0.0002","90","","98.644","0.002","90","","1656.2","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclopentylidene)isonicotinohydrazide) .(3-hydroxybenzoic acid)","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0455","0.0333","","","0.0834","0.0855","","","","","","0.975","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206490","21.3902","0.0015","7.8621","0.0005","11.2995","0.0007","90","","97.986","0.003","90","","1881.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclooctylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0506","0.0459","","","0.1286","0.1329","","","","","","1.048","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206491","24.467","0.0016","7.3712","0.0005","10.8211","0.0006","90","","99.666","0.006","90","","1923.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(1-p-tolylethylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0527","","","0.1515","0.1631","","","","","","0.722","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206492","9.8338","0.0009","10.2475","0.0009","10.8863","0.001","104.295","0.008","112.784","0.008","103.37","0.008","912.17","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(N'-(diphenylmethylene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","1","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0616","0.0568","","","0.1575","0.1618","","","","","","1.044","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206493","6.3511","0.0006","10.5853","0.0008","12.8026","0.0012","75.694","0.007","78.613","0.008","81.087","0.007","812.47","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(propan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C16 H19 N3 O5 -","- C16 H19 N3 O5 -","- C32 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0584","0.0335","","","0.0703","0.0741","","","","","","0.832","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206494","6.3699","0.0002","10.9498","0.0003","12.812","0.0003","81.009","0.001","80.566","0.001","83.859","0.001","867.67","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(butan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0498","0.0408","","","0.1075","0.1144","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206495","6.3632","0.0006","10.8918","0.001","13.3842","0.0012","87.434","0.007","80.241","0.008","83.083","0.008","907.26","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(N'-(cyclohexylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0557","0.0487","","","0.1289","0.1338","","","","","","1.002","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206496","6.3127","0.0004","11.4293","0.0006","26.1598","0.0015","90","","91.109","0.005","90","","1887.07","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N'-(cycloheptylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0515","0.0453","","","0.1217","0.1257","","","","","","0.984","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206497","6.1506","0.0005","10.5426","0.0006","16.2041","0.0012","73.603","0.006","90.403","0.006","79.32","0.006","988.57","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(4-methylbenzylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C42 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0501","","","0.137","0.143","","","","","","1.016","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206498","21.9371","0.0008","21.9371","0.0008","21.9371","0.0008","90","","90","","90","","10556.9","0.7","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H40 Mn2 N6 Na O22.5 S6 -","- C36 H18 Mn2 N6 Na O22.5 S6 -","- C288 H144 Mn16 N48 Na8 O180 S48 -","8","0.166667","","Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao","A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer","CrystEngComm","2011","13","19","5951","","10.1039/c1ce05154g","","","0.71073","MoKα","","0.079","0.076","","","0.2489","0.2551","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206499","7.0908","0.0005","10.8703","0.0008","26.4114","0.0017","90","","97.608","0.001","90","","2017.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O7 Pb S -","- C20 H12 N2 O7 Pb S -","- C80 H48 N8 O28 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0646","","","","","","0.99","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206500","7.316","0.0014","10.8418","0.0014","12.355","0.003","80.397","0.003","87.938","0.002","83.928","0.002","960.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N2 O9 Pb S -","- C18 H16 N2 O9 Pb S -","- C36 H32 N4 O18 Pb2 S2 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0455","0.0375","","","0.0774","0.0819","","","","","","1.04","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206501","19.2816","0.0015","6.9457","0.0006","14.1263","0.0012","90","","100.807","0.002","90","","1858.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O8 Pb S -","- C18 H14 N2 O8 Pb S -","- C72 H56 N8 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.065","0.0412","","","0.072","0.0795","","","","","","0.975","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206502","11.9149","0.0014","7.2161","0.0008","12.6352","0.0014","90","","103.615","0.002","90","","1055.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 O8 Pb S -","- C8 H6 O8 Pb S -","- C32 H24 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0461","0.0299","","","0.0589","0.0648","","","","","","0.966","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206503","6.9683","0.0012","7.5316","0.0012","30.887","0.005","85.113","0.003","84.509","0.003","63.01","0.002","1436.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O15 Pb3 S2 -","- C26 H16 N2 O15 Pb3 S2 -","- C52 H32 N4 O30 Pb6 S4 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0679","0.0526","","","0.124","0.1341","","","","","","0.997","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206504","7.3119","0.0008","22.365","0.003","7.5899","0.0008","90","","111.923","0.002","90","","1151.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 O8 Pb2 S -","- C8 H4 O8 Pb2 S -","- C32 H16 O32 Pb8 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0632","0.0422","","","0.0875","0.0984","","","","","","0.991","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206505","16.955","0.001","8.2338","0.0006","13.63","0.001","90","","108.551","0.007","90","","1803.9","0.2","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Co N6 O2 S2 -","- C14 H12 Co N6 O2 S2 -","- C56 H48 Co4 N24 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0473","0.0293","","","0.0761","0.0856","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206506","6.5705","0.0006","7.353","0.0007","9.6541","0.0008","96.773","0.007","92.797","0.007","109.334","0.008","435.12","0.07","296","","296","","","","","","","","see text","6","P -1","-P 1","2","","","","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0287","0.0252","","","0.071","0.075","","","","","","1.055","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206507","16.9021","0.0003","8.2084","0.0002","13.5353","0.0003","90","","108.613","0.002","90","","1779.66","0.07","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N6 Ni O2 S2 -","- C14 H12 N6 Ni O2 S2 -","- C56 H48 N24 Ni4 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0554","0.034","","","0.0648","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206508","12.735","0.003","20.53","0.004","18.882","0.004","90","","90","","90","","4936.7","1.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H58 F18 N5 O4 P3 -","- C42 H58 F18 N5 O4 P3 -","- C168 H232 F72 N20 O16 P12 -","4","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1001","0.0843","","","0.1944","0.208","","","","","","1.1","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206509","13.498","0.003","13.84","0.003","13.99","0.003","92.13","0.03","105.5","0.03","101.33","0.03","2458.2","1.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H67 N9 O16 -","- C44 H67 N9 O16 -","- C88 H134 N18 O32 -","2","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1181","0.0716","","","0.1772","0.2045","","","","","","1.061","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206510","10.4135","0.0005","25.2037","0.0013","19.5818","0.0011","90","","90","","90","","5139.4","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H64 Cu N10 O26 -","- C36 H62 Cu N10 O26 -","- C144 H248 Cu4 N40 O104 -","4","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0495","0.0372","","","0.0954","0.1028","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206511","15.84","0.02","24.75","0.02","7.724","0.008","90","","92.88","0.02","90","","3024","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H42 Cl4 N8 O13 Zn2 -","- C32 H40 Cl4 N8 O13 Zn2 -","- C64 H80 Cl8 N16 O26 Zn4 -","2","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0507","0.041","","","0.1282","0.1357","","","","","","0.809","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206512","7.8072","0.0018","10.931","0.003","13.796","0.003","78.771","0.004","78.627","0.003","87.263","0.004","1132.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","1","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0516","0.0351","","","0.0847","0.0905","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206513","5.1577","0.0012","21.085","0.005","21.538","0.005","90","","95.032","0.004","90","","2333.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br4 N8 O12 Zn2 -","- C36 H44 Br4 N8 O12 Zn2 -","- C72 H88 Br8 N16 O24 Zn4 -","2","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0799","0.0444","","","0.0978","0.1054","","","","","","0.89","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206514","18.484","0.005","11.438","0.003","9.597","0.003","90","","90","","90","","2029","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H16 Br2 N4 O4 Zn -","- C15 H16 Br2 N4 O4 Zn -","- C60 H64 Br8 N16 O16 Zn4 -","4","1","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.1074","0.0595","","","0.1367","0.1605","","","","","","1.003","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206515","12.136","0.01","10.495","0.008","16.018","0.013","90","","98.568","0.009","90","","2017","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Br2 N4 O4 Zn -","- C16 H18 Br2 N4 O4 Zn -","- C64 H72 Br8 N16 O16 Zn4 -","4","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0477","0.0325","","","0.081","0.0866","","","","","","1.042","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206516","14.0471","0.0012","5.3712","0.0004","8.5718","0.0008","90","","106.483","0.003","90","","620.16","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0679","0.0383","","","0.0772","0.0865","","","","","","0.917","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206517","8.1989","0.0012","11.5438","0.0018","14.516","0.002","113.323","0.005","90","","90","","1261.6","0.3","293","2","293","2","","","","","","","","3","P 21/b 1 1","-P 2xab","14","3-hydroxybenzylalcohol Form I","3-hydroxybenzylalcohol Form I","","- C7 H8 O2 -","- C7 H8 O2 -","- C56 H64 O16 -","8","2","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.1159","0.0504","","","0.1037","0.1215","","","","","","0.957","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206518","8.1867","0.0011","17.19","0.002","13.7935","0.0018","90","","101.432","0.002","90","","1902.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxybenzylalcohol Z' = 3","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0614","0.0382","","","0.0963","0.1113","","","","","","1.002","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206519","9.448","0.007","10.894","0.008","5.873","0.004","90","","90","","90","","604.5","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.062","0.0443","","","0.118","0.13","","","","","","1.048","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206520","10.434","0.0003","6.7029","0.0002","20.4814","0.0006","90","","103.747","0.002","90","","1391.4","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0873","0.0645","","","0.1711","0.1867","","","","","","1.062","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7206521","13.0921","0.0003","8.7487","0.0002","13.6578","0.0004","90","","118.265","0.001","90","","1377.83","0.06","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1128","0.0863","","","0.1776","0.1924","","","","","","1.099","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206522","9.7297","0.0002","12.8208","0.0002","11.5304","0.0002","90","","104.902","0.001","90","","1389.96","0.04","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0718","0.0596","","","0.1398","0.1476","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206523","7.2182","0.0002","19.7365","0.0004","11.3467","0.0003","90","","90.404","0.001","90","","1616.43","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21 1","P 2yb","4","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C48 H76 B40 N4 O4 -","4","2","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0619","0.054","","","0.1172","0.1231","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206524","25.8502","0.0004","9.7968","0.0002","12.8393","0.0002","90","","96.41","0.001","90","","3231.22","0.1","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C96 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0669","0.0553","","","0.1406","0.1516","","","","","","0.998","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206525","9.8268","0.0002","13.4445","0.0004","11.3957","0.0003","90","","105.64","0.002","90","","1449.82","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","TPMec018_I","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C36 H76 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.088","0.064","","","0.1541","0.1729","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206526","11.6364","0.0016","11.4228","0.0016","13.1428","0.0014","90","","105.666","0.012","90","","1682","0.4","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C52 H84 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1483","0.0989","","","0.2428","0.2752","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206527","10.4622","0.0002","10.4196","0.0003","30.6975","0.0009","90","","90","","90","","3346.39","0.15","120","2","120","2","","","","","","","Jose Giner Planas","5","P b c a","-P 2ac 2ab","61","CQMec020","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C104 H168 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1111","0.066","","","0.1585","0.1813","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206528","21.1947","0.0007","7.1376","0.0002","19.7547","0.0006","90","","92.129","0.002","90","","2986.41","0.16","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","SPCB022","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0774","0.0583","","","0.1584","0.1715","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206529","5.441","0.0002","12.226","0.0004","21.705","0.0007","90","","101.04","0.002","90","","1417.13","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ticlopidine hydrochloride form II","5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride","","- C14 H15 Cl2 N S -","- C14 H15 Cl2 N S -","- C56 H60 Cl8 N4 S4 -","4","1","","Martins, Felipe T.; deLima, Patrícia V.; Azarias, Lilian C.; de Abreu, Polyana J.; Neves, Person P.; Legendre, Alexandre O.; de Andrade, Fabiano M.; de Oliveira, Guilherme R.; Ellena, Javier; Doriguetto, Antônio C.","Increasing the symmetry of drug crystals: a monoclinic conformational polymorph of the platelet antiaggregating agent ticlopidine hydrochloride","CrystEngComm","2011","13","19","5737","","10.1039/c1ce05453h","","","0.71073","MoKα","","0.0703","0.0533","","","0.1436","0.1624","","","","","","1.109","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206530","10.3604","0.0007","10.3604","0.0007","14.5059","0.001","90","","90","","90","","1557.03","0.18","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 Gd N O8.5 -","- C9 H3 Gd O7 -","- C36 H12 Gd4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0319","0.0285","","","0.0641","0.0653","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206531","10.3635","0.0007","10.3635","0.0007","13.8321","0.0018","90","","90","","90","","1485.6","0.2","473","2","473","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0479","0.0334","","","0.0691","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206532","10.3625","0.0007","10.3625","","13.8473","0.0019","90","","90","","90","","1486.9","0.2","473","2","473","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0284","0.0224","","","0.0542","0.0575","","","","","","1.008","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206533","10.471","0.0015","10.471","0.0015","14.645","0.004","90","","90","","90","","1605.7","0.5","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H15 Gd O12 -","- C9 H3 Gd O12 -","- C36 H12 Gd4 O48 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.044","0.0356","","","0.0794","0.084","","","","","","0.973","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206534","10.3197","0.0004","10.3197","0.0004","14.0444","0.001","90","","90","","90","","1495.68","0.13","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0513","0.0519","","","","","","1.026","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206535","10.3008","0.0013","10.3008","0.0013","14.385","0.004","90","","90","","90","","1526.3","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0357","0.0329","","","0.0784","0.0798","","","","","","1.019","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206536","10.339","0.002","10.339","0.002","14.057","0.006","90","","90","","90","","1502.6","0.8","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0279","0.0272","","","0.0632","0.0636","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206537","10.3159","0.0012","10.3159","0.0012","14.45","0.003","90","","90","","90","","1537.7","0.4","150","2","150","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0344","0.0325","","","0.089","0.0902","","","","","","0.994","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206538","10.3149","0.0014","10.3149","0.0014","14.339","0.004","90","","90","","90","","1525.6","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0379","0.0352","","","0.0828","0.0847","","","","","","1.068","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206539","5.18289","0.00048","11.194","0.0012","5.43875","0.00053","90","","90","","90","","315.54","0.05","315","","315","","11.75","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.32","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206540","5.13617","0.00071","11.1258","0.0019","5.41457","0.00076","90","","90","","90","","309.41","0.08","340","","340","","13.6","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.266","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206541","25.783","0.002","11.8912","0.0008","14.6506","0.0011","90","","90","","90","","4491.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","((CH3CH2)4N)3(Ag6Br5.61(CN)3.39)","[(CH3CH2)4N]3[Ag6Br5.61(CN)3.39]","","- C27.39 H60 Ag6 Br5.61 N6.39 -","- C27.3848 H60 Ag6 Br5.6152 N6.3848 -","- C109.539 H240 Ag24 Br22.4608 N25.5392 -","4","0.5","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0598","0.0477","","","0.1441","0.1531","","","","","","1.05","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206542","24.6059","0.0016","24.6059","0.0016","24.6059","0.0016","90","","90","","90","","14897.6","1.7","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","((C3H7)N)3Ag8I7(CN)4","[(C3H7)N]3Ag8I7(CN)4","","- C40 H84 Ag8 I7 N7 -","- C40 H84 Ag8 I7 N7 -","- C320 H672 Ag64 I56 N56 -","8","0.0833333","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0427","0.0278","","","0.0615","0.0662","","","","","","1.007","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206543","35.923","0.006","20.557","0.003","16.968","0.003","90","","90","","90","","12530","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C468 H324 Fe12 N72 O72 -","12","1.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1312","0.0989","","0.2938","","0.265","","","1.03","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206544","13.246","0.014","22.9","0.02","17.291","0.018","90","","96.236","0.018","90","","5214","9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag B F4 Fe N6 O10 -","- C55 H59 Ag B F4 Fe N6 O10 -","- C220 H236 Ag4 B4 F16 Fe4 N24 O40 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2417","0.1194","","0.3881","","0.3169","","","1.05","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206545","13.359","0.003","23.669","0.005","17.737","0.004","90","","97.697","0.002","90","","5558","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag F6 Fe N6 O10 P -","- C55 H59 Ag F6 Fe N6 O10 P -","- C220 H236 Ag4 F24 Fe4 N24 O40 P4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.0748","0.0635","","0.1669","","0.1625","","","1.138","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206546","20.806","0.003","17.767","0.003","25.939","0.004","90","","98.751","0.002","90","","9477","3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H27 Ag F3 Fe N6 O9 S -","- C40 H27 Ag F3 Fe N6 O9 S -","- C320 H216 Ag8 F24 Fe8 N48 O72 S8 -","8","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1507","0.0996","","0.3047","0.2708","","","","0.936","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206547","20.341","0.003","17.552","0.003","26.677","0.004","90","","93.888","0.002","90","","9502","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Ag3 Fe2 N15 O21 -","- C78 H54 Ag3 Fe2 N15 O21 -","- C312 H216 Ag12 Fe8 N60 O84 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1308","0.0886","","0.2611","0.2328","","","","0.774","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206548","27.6841","0.0011","27.6841","0.0011","17.4801","0.0014","90","","90","","120","","11602.1","1.1","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C152 H116 Ag5 Fe3 N18 O33 S5 -","- C130.86 H81 Ag5 Fe3 N18 O23.94 S0.66 -","- C261.72 H162 Ag10 Fe6 N36 O47.88 S1.32 -","2","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2368","0.1667","","0.455","","0.4279","","","1.429","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206549","13.2081","0.0006","22.073","0.001","18.8381","0.0009","90","","93.242","0.001","90","","5483.3","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H86 Cl4 Fe3 N26 O20 S2 -","- C110 H82 Fe3 N26 O2 S2 -","- C220 H164 Fe6 N52 O4 S4 -","2","0.5","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0661","0.048","","","0.1376","0.1472","","","","","","1.004","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206550","12.2473","0.0004","12.6914","0.0005","13.711","0.0005","79.294","0.001","74.263","0.001","69.511","0.001","1911.75","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H31 Cl2 Fe N8 O8.5 -","- C42 H29 Fe N8 -","- C84 H58 Fe2 N16 -","2","1","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0655","0.0492","","","0.1282","0.1351","","","","","","1.012","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206551","29.713","0.011","17.135","0.007","15.277","0.006","90","","97.121","0.009","90","","7718","5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H79 Cd3 N7 O19 -","- C75 H79 Cd3 N7 O19 -","- C300 H316 Cd12 N28 O76 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1124","0.0759","","","0.1924","0.2191","","","","","","1.069","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206552","9.1268","0.0002","26.2489","0.0007","15.3536","0.0004","90","","91.42","0.001","90","","3677.11","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35.5 Cd N2.5 O9.5 -","- C38.5 H26 Cd N2.5 O9.5 -","- C154 H104 Cd4 N10 O38 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.064","0.0566","","","0.1731","0.1797","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206553","16.8416","0.0006","29.9444","0.0009","15.9876","0.0005","90","","98.076","0.001","90","","7982.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H99 Cd3 N7 O32 -","- C64 H38 Cd2 N2 O12 -","- C256 H152 Cd8 N8 O48 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.0693","0.0506","","","0.161","0.1775","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206554","28.055","0.01","17.775","0.006","18.682","0.007","90","","117.571","0.009","90","","8258","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd3 N12 O18 -","- C84 H84 Cd3 N12 O18 -","- C336 H336 Cd12 N48 O72 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1894","0.0721","","","0.1445","0.2044","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206555","25.762","0.003","11.0918","0.0013","30.006","0.004","90","","110.333","0.001","90","","8039.9","1.7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C80 H328 Co12 In24 N80 O4 S84 Sb24 -","4","0.5","","Zhou, Jian; An, Litao","A novel 3-D thioindate-thioantimonate based on the linkages of large heterometallic {In2Sb2S9} clusters and 1-D [In2Sb2S84−]n chains","CrystEngComm","2011","13","19","5924","","10.1039/c1ce05551h","","","0.71073","MoKα","","0.0427","0.037","","","0.1299","0.134","","","","","","1.152","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206556","31.93","0.008","6.041","0.002","7.424","0.001","90","","97.04","0.01","90","","1421.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0577","","","","0.1146","","","","","","1.108","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206557","6.4323","0.0009","7.278","0.001","22.578","0.004","90","","93.06","0.01","90","","1055.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 F10 N2 O2 -","- C24 H8 F10 N2 O2 -","- C48 H16 F20 N4 O4 -","2","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0554","","","","0.1339","","","","","","1.061","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206558","4.7787","0.0002","6.5029","0.0004","13.9073","0.0005","78.371","0.003","83.747","0.003","87.099","0.004","420.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","1","1","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0568","","","","0.1655","","","","","","1.049","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206559","14.463","0.002","4.8155","0.0007","14.291","0.002","90","","116.922","0.011","90","","887.5","0.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C28 H40 N8 O24 -","4","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0987","0.0457","","","0.0841","0.0989","","","","","","0.898","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206560","7.7075","0.0007","18.7331","0.0015","8.3841","0.0007","90","","105.034","0.007","90","","1169.11","0.18","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Ca N2 O8 -","- C7 H12 Ca N2 O8 -","- C28 H48 Ca4 N8 O32 -","4","1","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0365","0.0268","","","0.0624","0.0654","","","","","","1.011","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206561","6.6989","0.0009","19.186","0.002","22.557","0.003","90","","96.501","0.011","90","","2880.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Ca4 Cu4 N8 O46 -","- C28 H64 Ca4 Cu4 N8 O46 -","- C56 H128 Ca8 Cu8 N16 O92 -","2","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.1098","0.0572","","","0.102","0.1149","","","","","","0.956","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206562","22.8907","0.0009","22.8907","0.0009","62.003","0.004","90","","90","","120","","28136","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 Co6 N24 O37 -","- C204 H181.99 Co6 N24 O37 -","- C1224 H1091.94 Co36 N144 O222 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.2369","0.1216","","","0.3206","0.3863","","","","","","1.045","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206563","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206564","9.768","0.002","10.475","0.002","10.64","0.002","74.74","0.03","80.82","0.03","69.5","0.03","981","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Ag N4 O3 S -","- C19 H15 Ag N4 O3 S -","- C38 H30 Ag2 N8 O6 S2 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0287","0.0255","","","0.0624","0.064","","","","","","1.047","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206565","9.2284","0.0018","9.4398","0.0019","17.845","0.004","90","","92.018","0.004","90","","1553.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0414","0.0379","","","0.0929","0.0954","","","","","","1.143","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206566","9.1859","0.0015","9.691","0.0016","20.348","0.003","90","","115.309","0.006","90","","1637.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl N4 O4 -","- C14 H12 Ag Cl N4 O4 -","- C56 H48 Ag4 Cl4 N16 O16 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0338","0.032","","","0.0769","0.0779","","","","","","1.159","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206567","9.4587","0.0019","9.989","0.002","18.523","0.004","90","","90.07","0.03","90","","1750.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0364","0.0308","","","0.0826","0.0857","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206568","9.4187","0.0019","10.098","0.002","10.271","0.002","111.21","0.03","106.08","0.03","91.41","0.03","866.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Ag F3 N4 O2 -","- C16 H12 Ag F3 N4 O2 -","- C32 H24 Ag2 F6 N8 O4 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0385","0.0339","","","0.0849","0.0908","","","","","","1.115","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206569","7.362","0.0018","12.946","0.002","13.628","0.0013","90","","91.312","0.003","90","","1298.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N7 Ni O5 Zn -","- C15 H16 N7 Ni O5 Zn -","- C30 H32 N14 Ni2 O10 Zn2 -","2","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.0979","0.0597","","","0.1178","0.1251","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206570","7.4474","0.0012","7.4474","0.0012","13.05","0.004","90","","90","","90","","723.8","0.3","291","2","291","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.025","0.0216","","","0.0581","0.0596","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206571","12.6429","0.0019","7.9421","0.0012","12.4142","0.0019","90","","99.785","0.002","90","","1228.4","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N6 Ni Zn -","- C8 H6 N6 Ni Zn -","- C32 H24 N24 Ni4 Zn4 -","4","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.032","0.0232","","","0.0533","0.0563","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206572","6.9915","0.0009","11.7916","0.0015","13.0707","0.0016","69.367","0.001","81.976","0.002","85.836","0.002","998.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag B F4 N3 -","- C22 H15 Ag B F4 N3 -","- C44 H30 Ag2 B2 F8 N6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0366","0.0306","","","0.0699","0.073","","","","","","1.037","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206573","8.3032","0.001","11.4028","0.0011","12.3817","0.001","76.926","0.002","83.328","0.001","72.711","0.002","1088.8","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag F6 N3 Sb -","- C22 H15 Ag F6 N3 Sb -","- C44 H30 Ag2 F12 N6 Sb2 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0367","0.0261","","","0.05","0.0547","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206574","9.3343","0.0014","10.0902","0.0016","11.2321","0.0018","106.904","0.002","95.69","0.002","106.701","0.002","950","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Ag F3 N2 O2 -","- C22 H12 Ag F3 N2 O2 -","- C44 H24 Ag2 F6 N4 O4 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0426","0.03","","","0.0628","0.0694","","","","","","1.032","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206575","23.6617","0.0012","9.5813","0.0005","20.3753","0.0016","90","","119.684","0.001","90","","4013.1","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Ag F5 N2 O2 -","- C23 H12 Ag F5 N2 O2 -","- C184 H96 Ag8 F40 N16 O16 -","8","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0378","0.0282","","","0.0605","0.0663","","","","","","1.027","","","","has coordinates","208246","2020-10-21","18:00:00",""
"7206576","9.3176","0.0009","9.8539","0.0009","10.8856","0.001","113.664","0.001","94.632","0.001","105.517","0.001","861.78","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Ag N3 O3 -","- C20 H12 Ag N3 O3 -","- C40 H24 Ag2 N6 O6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.021","0.0194","","","0.0485","0.0494","","","","","","1.057","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206577","12.6144","0.0011","11.932","0.001","13.318","0.0011","90","","106.702","0.001","90","","1920","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Ag F3 N2 O3 S -","- C21 H12 Ag F3 N2 O3 S -","- C84 H48 Ag4 F12 N8 O12 S4 -","4","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0483","0.0316","","","0.0695","0.0773","","","","","","1.027","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7206596","6.5724","0.0015","8.922","0.002","10.621","0.004","108.461","0.005","94.233","0.005","110.179","0.003","542.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl0 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0243","0.0224","","","0.0611","0.062","","","","","","1.087","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206597","5.2676","0.0011","10.446","0.002","10.739","0.002","116.41","0.03","103.82","0.03","92.64","0.03","506","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0326","0.0269","","","0.0728","0.0748","","","","","","1.16","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206598","7.6459","0.0015","27.929","0.006","11.311","0.002","90","","91.84","0.03","90","","2414.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CDPA-DMAP","","","- C29 H26 N4 O2 -","- C29 H26 N4 O2 -","- C116 H104 N16 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.0697","0.0555","","","0.1498","0.1637","","","","","","1.105","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206599","20.497","0.008","6.687","0.003","20.628","0.008","90","","118.114","0.007","90","","2493.8","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CDPA-Propylamine","","","- C26 H26.5 N3.5 O2 -","- C26 H26.5 N3.5 O2 -","- C104 H106 N14 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.1027","0.0834","","","0.216","0.2298","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206600","6.822","0.01","10.44","0.02","8.87","0.015","90","","101.396","0.013","90","","619.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(N4CCH2CH2COO)]n","[Zn(N4CCH2CH2COO)]n","","- C4 H4 N4 O2 Zn -","- C4 H4 N4 O2 Zn -","- C16 H16 N16 O8 Zn4 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0276","0.0236","","","0.0589","0.0613","","","","","","1.063","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206601","8.371","0.004","22.545","0.01","9.785","0.005","90","","112.603","0.001","90","","1704.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","","- C14 H13 N9 O3 Zn2 -","- C14 H12 N9 O3 Zn2 -","- C56 H48 N36 O12 Zn8 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0491","0.0404","","","0.0888","0.0951","","","","","","1.092","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206602","14.992","0.003","7.602","0.003","9.47","0.002","90","","105.271","0.019","90","","1041.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","","- C18 H16 N10 O4 Zn2 -","- C18 H16 N10 O4 Zn2 -","- C36 H32 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.1294","0.0768","","","0.1418","0.1541","","","","","","0.979","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206603","11.494","0.002","14.205","0.003","9.7499","0.0019","90","","98.87","0.03","90","","1572.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 I2 N3 O2 Pb -","- C12 H7 I2 N3 O2 Pb -","- C48 H28 I8 N12 O8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0617","0.0593","","","0.1316","0.133","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206604","10.178","0.002","19.652","0.004","8.1846","0.0016","90","","116.79","0.03","90","","1461.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 I2 N3 Pb -","- C12 H9 I2 N3 Pb -","- C48 H36 I8 N12 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0598","0.0542","","","0.1292","0.1439","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206605","11.698","0.002","14.156","0.003","9.4216","0.0019","90","","98.16","0.03","90","","1544.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cl I2 N2 Pb -","- C12 H7 Cl I2 N2 Pb -","- C48 H28 Cl4 I8 N8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.1047","0.0892","","","0.1854","0.1941","","","","","","1.249","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206606","15.4705","0.0003","11.8919","0.0003","7.849","0.0002","88.252","0.002","95.429","0.002","92.534","0.002","1435.62","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0477","0.0307","","","0.0741","0.0775","","","","","","0.968","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206607","15.4905","0.0017","12.0219","0.0009","7.8804","0.0007","88.69","0.008","95.03","0.009","90.906","0.008","1461.4","0.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1226","0.0734","","","0.1936","0.2157","","","","","","0.845","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206608","15.4955","0.0007","12.1132","0.0006","7.9099","0.0007","88.155","0.006","95.227","0.006","90.875","0.004","1477.63","0.16","438","2","438","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0826","0.0572","","","0.1378","0.1452","","","","","","0.938","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206609","15.456","0.003","12.141","0.003","7.915","0.005","89.727","0.018","95.358","0.018","90.177","0.017","1478.7","1","503","2","503","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1113","0.0498","","","0.1213","0.1384","","","","","","0.966","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206610","15.404","0.005","12.082","0.004","7.885","0.002","90","","94.95","0.02","90","","1462","0.8","533","2","533","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C6 H5.5 Co0.25 N O3 V -","- C6 H5.5 Co0.25 N O3 V -","- C48 H44 Co2 N8 O24 V8 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1659","0.0609","","","0.1207","0.1476","","","","","","0.843","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206611","21.96","0.005","5.8873","0.0013","10.731","0.003","90","","102.46","0.02","90","","1354.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 N2 O10 Zn -","- C26 H36 N2 O10 Zn -","- C52 H72 N4 O20 Zn2 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0691","0.041","","","0.0666","0.071","","","","","","0.924","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206612","21.574","0.003","5.9897","0.0003","14.1692","0.0018","90","","127.501","0.019","90","","1452.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Cu2 N2 O11 -","- C26 H36 Cu2 N2 O11 -","- C52 H72 Cu4 N4 O22 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0383","0.0309","","","0.0651","0.0667","","","","","","1.007","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206613","6.6534","0.0001","18.96","0.0003","22.5591","0.0003","90","","90","","90","","2845.8","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O8 Zn2 -","- C26 H30 N2 O8 Zn2 -","- C104 H120 N8 O32 Zn8 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","1.54178","CuKα","","0.0444","0.0363","","","0.0791","0.0833","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206614","21.5285","0.001","5.9677","0.0003","11.6873","0.0006","90","","98.289","0.005","90","","1485.85","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H19 Cu N O9 -","- C11 H18 Cu N O9 -","- C44 H72 Cu4 N4 O36 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0562","0.037","","","0.0512","0.0538","","","","","","0.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206615","8.324","0.0008","6.4377","0.0004","11.3504","0.0008","90","","101.988","0.009","90","","594.97","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 Zn -","- C11 H11 N O5 Zn -","- C22 H22 N2 O10 Zn2 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0724","0.0475","","","0.0969","0.1018","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206616","17.0146","0.0001","17.0146","0.0001","17.0146","0.0001","90","","90","","90","","4925.67","0.05","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H46 Cd3 Cl N4 Na O23 -","- C33 H33 Cd3 Cl N3 Na O19 -","- C132 H132 Cd12 Cl4 N12 Na4 O76 -","4","0.333333","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0551","0.0365","","","0.0823","0.0847","","","","","","1.01","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206617","6.6641","0.0002","7.7528","0.0003","19.6619","0.0007","90","","109.75","0.003","90","","956.08","0.06","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 La2 N3 O13 -","- C18 H11 La2 N3 O13 -","- C36 H22 La4 N6 O26 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0386","0.0228","","","0.0304","0.0312","","","","","","0.883","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206618","6.5605","0.0007","7.6743","0.0008","19.351","0.002","90","","108.709","0.009","90","","922.79","0.17","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 N3 O13 Sm2 -","- C18 H11 N3 O13 Sm2 -","- C36 H22 N6 O26 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0605","0.0316","","","0.0498","0.0527","","","","","","0.98","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206619","6.6571","0.0006","7.6931","0.0007","19.61","0.002","90","","108.808","0.008","90","","950.68","0.16","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 La2 N3 O12 -","- C18 H9 La2 N3 O12 -","- C36 H18 La4 N6 O24 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0793","0.0675","","","0.2079","0.2238","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206620","6.5238","0.0002","7.6246","0.0002","19.2614","0.0007","90","","108.791","0.003","90","","907.02","0.05","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 N3 O12 Sm2 -","- C18 H9 N3 O12 Sm2 -","- C36 H18 N6 O24 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0313","0.0259","","","0.0604","0.0628","","","","","","1.068","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206621","14.132","0.005","10.507","0.003","15.816","0.005","90","","98.504","0.004","90","","2322.6","1.3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H19.02 Eu2 N2 O20.51 P2 -","- C10 H14 Eu2 N2 O20.511 P2 -","- C40 H56 Eu8 N8 O82.044 P8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0242","0.0204","","","0.0472","0.0488","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206622","14.069","0.003","10.443","0.002","15.714","0.003","90","","98.528","0.003","90","","2283.2","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18.92 N2 O20.46 P2 Tb2 -","- C10 H14 N2 O20.461 P2 Tb2 -","- C40 H56 N8 O81.844 P8 Tb8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0277","0.0224","","","0.0486","0.0505","","","","","","1.001","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7206623","7.5366","0.0004","9.427","0.0004","8.9888","0.0004","90","","96.744","0.003","90","","634.21","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl2 Cu N6 -","- C8 H12 Cl2 Cu N6 -","- C16 H24 Cl4 Cu2 N12 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0707","","","","","","1.072","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206624","10.9001","0.0007","10.9001","0.0007","8.1598","0.0009","90","","90","","120","","839.6","0.12","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","1","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0417","0.0345","","","0.0787","0.0829","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206625","8.9652","0.0001","9.6841","0.0002","15.5712","0.0003","90","","90.783","0.001","90","","1351.76","0.04","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H24 Co N14 O2 S2 -","- C18 H24 Co N14 O2 S2 -","- C36 H48 Co2 N28 O4 S4 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0841","0.0659","","","0.1922","0.2118","","","","","","1.026","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206626","8.506","0.002","17.003","0.004","10.491","0.003","90","","90","","90","","1517.3","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 Ni O7 S -","- C8 H18 N6 Ni O7 S -","- C32 H72 N24 Ni4 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.068","0.0534","","","0.1296","0.1393","","","","","","1.071","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206627","7.7348","0.0005","17.2121","0.0012","8.7343","0.0006","90","","113.849","0.001","90","","1063.53","0.13","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br2 Cu N12 -","- C16 H24 Br2 Cu N12 -","- C32 H48 Br4 Cu2 N24 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.045","0.0296","","","0.0588","0.0634","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206628","18.787","0.002","18.787","0.002","25.17","0.004","90","","90","","120","","7693.6","1.7","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 N54 Ni3 O24 -","- C72 H108 Cl6 N54 Ni3 O24 -","- C216 H324 Cl18 N162 Ni9 O72 -","3","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0511","0.0433","","","0.1052","0.1101","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7206629","8.5182","0.0011","17.061","0.002","10.5318","0.0014","90","","90","","90","","1530.6","0.3","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 Co N6 O7 S -","- C8 H18 Co N6 O7 S -","- C32 H72 Co4 N24 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MOKα","","0.05","0.0359","","","0.0792","0.0855","","","","","","1.051","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7206630","13.1073","0.0009","17.5935","0.0013","25.4796","0.0019","90","","90","","90","","5875.7","0.7","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.988 -","- C128 H224 Cl16 Cu8 N96 O79.904 -","8","0.25","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0448","0.037","","","0.1059","0.1108","","","","","","1.111","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206631","8.4528","0.0017","8.9701","0.0018","15.53","0.003","90","","104.559","0.003","90","","1139.7","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu N3 O4 -","- C8 H12 Cu N3 O4 -","- C32 H48 Cu4 N12 O16 -","4","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0522","0.0368","","","0.0847","0.0904","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206632","8.9762","0.0007","11.3964","0.0008","12.7958","0.0014","107.173","0.001","103.271","0.002","104.545","0.001","1143.39","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Co N9 O5 -","- C20 H24 Co N9 O5 -","- C40 H48 Co2 N18 O10 -","2","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.049","0.0386","","","0.0927","0.0989","","","","","","1.038","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206633","10.3892","0.0004","10.6944","0.0004","20.3245","0.0009","90","","90","","90","","2258.18","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 Cu N3 S2 -","- C9 H9 Cu N3 S2 -","- C72 H72 Cu8 N24 S16 -","8","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0795","0.0316","","","0.0564","0.0611","","","","","","0.761","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206634","9.7369","0.0012","9.0907","0.0011","31.145","0.004","90","","91.659","0.001","90","","2755.7","0.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Ag2 Br2 N6 S3 -","- C21 H21 Ag2 Br2 N6 S3 -","- C84 H84 Ag8 Br8 N24 S12 -","4","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0441","0.0303","","","0.0652","0.0698","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206635","12.929","0.0012","10.5303","0.0009","10.7521","0.001","90","","95.796","0.002","90","","1456.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0523","0.0414","","","0.1186","0.1237","","","","","","1.079","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206636","9.1977","0.0001","8.2553","0.0001","23.7783","0.0004","90","","96.193","0.001","90","","1794.94","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trimethoprim+2-aminoterephthalic acid","Trimethoprim+2-aminoterephthalic acid","","- C36 H43 N9 O10 -","- C36 H43 N9 O10 -","- C72 H86 N18 O20 -","2","0.5","","Delori, Amit; Jones, William","A hydrogen bonded cocrystal with an unusual interweaving between the adjacent triple-helices","CrystEngComm","2011","13","21","6315","","10.1039/c1ce05534h","","","0.7107","MoKα","","0.0819","0.0561","","","0.1334","0.146","","","","","","1.064","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206637","17.835","0.004","12.421","0.003","19.029","0.004","90","","90","","90","","4215.5","1.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C37 H33 Ag5 N12 O14 -","- C37 H29 Ag5 N12 O14 -","- C148 H116 Ag20 N48 O56 -","4","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Tan, Jing-Bo; Pan, Mei; Fan, Jun; Zhang, Wei-Guang","An unprecedented supramolecular network with channels filled by 1D coordination polymer chains: Cocrystallization of Ag(i)-4,4′-bipyridine and Ag(i)-benzimidazole complexes","CrystEngComm","2011","13","21","6345","","10.1039/c1ce05535f","","","0.71073","MoKα","","0.1612","0.1085","","","0.3256","0.3678","","","","","","1.042","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206638","8.521","0.0017","5.2696","0.0011","7.724","0.0015","90","","90","","90","","346.83","0.12","296","2","296","2","360000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.0715","0.0535","","","0.1201","0.1278","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206639","8.4","0.06","5.159","0.005","7.61","0.03","90","","90","","90","","330","3","296","2","296","2","520000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.4255","0.1889","","","0.3133","0.455","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206640","8.345","0.008","5.15","0.007","7.558","0.01","90","","90","","90","","324.8","0.7","296","2","296","2","650000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.1395","0.0939","","","0.1492","0.1724","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206641","8.2","0.013","5.13","0.03","7.4","0.02","90","","90","","90","","311","2","296","2","296","2","1190000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.3808","0.1269","","","0.1922","0.2649","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206642","8.08","0.03","4.914","0.016","7.33","0.02","90","","90","","90","","291","1.6","296","2","296","2","2040000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.2368","0.1732","","","0.2397","0.2645","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206643","3.881","0.004","7.532","0.008","31.35","0.03","90","","90.59","0.018","90","","916.4","1.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 O4 S4 -","- C22 H8 O4 S4 -","- C44 H16 O8 S8 -","2","0.5","","Otón, Francisco; Pfattner, Raphael; Pavlica, Egon; Olivier, Yoann; Bratina, Gvido; Cornil, Jérôme; Puigdollers, Joaquim; Alcubilla, Ramón; Fontrodona, Xavier; Mas-Torrent, Marta; Veciana, Jaume; Rovira, Concepció","Electronic and structural characterisation of a tetrathiafulvalene compound as a potential candidate for ambipolar transport properties","CrystEngComm","2011","13","22","6597","","10.1039/c1ce05559c","","","0.71073","MoKα","","0.2976","0.2174","","","0.4178","0.4364","","","","","","1.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206644","9.751","0.002","20.573","0.004","13.834","0.005","90","","114.75","0.02","90","","2520.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Mn N5 O5 -","- C26 H19 Mn N5 O5 -","- C104 H76 Mn4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1944","0.102","","","0.1546","0.1869","","","","","","1.027","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206645","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 Ni O5 -","- C26 H19 N5 Ni O5 -","- C104 H76 N20 Ni4 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1221","0.0833","","","0.1462","0.1626","","","","","","1.03","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206646","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O5 Zn -","- C26 H19 N5 O5 Zn -","- C104 H76 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0734","0.0562","","","0.1267","0.1369","","","","","","1.012","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206647","9.456","0.0019","20.106","0.004","12.865","0.003","90","","106.81","0.03","90","","2341.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Co N5 O5 -","- C26 H19 Co N5 O5 -","- C104 H76 Co4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0984","0.0652","","","0.1063","0.1166","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206648","9.138","0.0018","11.366","0.002","12.541","0.003","66.69","0.03","85.9","0.03","85.13","0.03","1190.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1423","0.1186","","","0.2743","0.2865","","","","","","1.014","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206649","9.85","0.002","11.721","0.002","12.217","0.002","103.76","0.03","102.53","0.03","94.49","0.03","1324.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Co N5 O6 -","- C28 H25 Co N5 O6 -","- C56 H50 Co2 N10 O12 -","2","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0633","0.0474","","","0.1017","0.1083","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206650","10.399","0.002","10.583","0.002","23.268","0.005","90","","101.25","0.03","90","","2511.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cu N5 O7 -","- C26 H19 Cu N5 O7 -","- C104 H76 Cu4 N20 O28 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1182","0.0832","","","0.154","0.1682","","","","","","1.01","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206651","9.687","0.0019","11.87","0.002","12.456","0.003","100.03","0.03","99.52","0.03","97.24","0.03","1373.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.148","0.0907","","","0.1937","0.228","","","","","","0.993","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206652","22.4693","0.0015","14.3685","0.0009","21.7069","0.0016","90","","109.168","0.001","90","","6619.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Cu6 N15 -","- C72 H51 Cu6 N15 -","- C288 H204 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0887","0.0473","","","0.093","0.1099","","","","","","1.006","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206653","22.7172","0.001","14.5191","0.0007","21.7987","0.001","90","","108.788","0.001","90","","6806.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 Cu6 N15 -","- C75 H57 Cu6 N15 -","- C300 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0631","0.04","","","0.0996","0.1157","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206654","23.568","0.003","14.2616","0.0016","24.342","0.004","90","","118.922","0.002","90","","7161.3","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H63 Cu6 N15 -","- C78 H63 Cu6 N15 -","- C312 H252 Cu24 N60 -","4","1","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.1133","0.0604","","","0.1462","0.1886","","","","","","1.001","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206655","32.9876","0.0014","15.2044","0.0006","15.3966","0.0006","90","","90","","90","","7722.3","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C87 H61 Cu6 N15 O2 -","- C87 H57 Cu6 N15 -","- C348 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0885","0.0492","","","0.1225","0.139","","","","","","0.985","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206656","7.9753","0.0004","10.7633","0.0006","29.7359","0.0011","86.267","0.002","46.207","0.002","72.569","0.002","1720.05","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 N4 Ni O4 S2 -","- C41 H29 N4 Ni O4 S2 -","- C82 H58 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0634","0.0433","","","0.1246","0.1463","","","","","","1.028","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206657","7.8922","0.0001","10.708","0.0002","29.755","0.0007","91.061","0.001","46.772","0.002","74.875","0.001","1697.79","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 Br N4 Ni O6 S2 -","- C37 H27 Br N4 Ni O6 S2 -","- C74 H54 Br2 N8 Ni2 O12 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.087","0.0507","","","0.1286","0.1488","","","","","","1.031","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206658","10.268","0.002","11.0835","0.0007","28.807","0.004","87.171","0.012","35.532","0.007","84.06","0.01","1891.6","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Br2 N4 Ni O4 S2 -","- C42 H30 Br2 N4 Ni O4 S2 -","- C84 H60 Br4 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0783","0.0437","","","0.1048","0.124","","","","","","1.033","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206659","9.0241","0.0018","11.139","0.002","29.368","0.005","73.49","0.02","32.633","0.009","62.65","0.03","1381.1","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 N4 Ni O4 S2 -","- C30 H22 N4 Ni O4 S2 -","- C60 H44 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0656","0.0382","","","0.0918","0.1006","","","","","","1.001","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206660","5.068","0.0003","11.0147","0.0007","20.8655","0.0013","81.306","0.003","89.114","0.003","80.325","0.003","1134.95","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1338","0.138","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206661","8.3361","0.0007","10.7845","0.0009","12.6902","0.0016","104.841","0.005","104.913","0.006","105.793","0.004","993.4","0.18","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","1","1","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0533","0.0402","","","0.0906","0.1051","","","","","","1.032","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206662","9.3053","0.0004","10.177","0.0004","13.6897","0.0006","86.972","0.002","89.543","0.002","64.397","0.002","1167.33","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0534","0.0549","","","","","","1.049","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206663","19.2774","0.0008","20.9886","0.0007","43.284","0.0016","90","","90","","90","","17513","1.1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C18.5 H19.5 N2.5 O7.5 S Zn -","- C17 H12 N2 O5 S Zn -","- C544 H384 N64 O160 S32 Zn32 -","32","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0513","0.046","","","0.1401","0.1466","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206664","11.4284","0.0007","11.4284","0.0007","30.743","0.004","90","","90","","120","","3477.3","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H21 Co N3 O7 S -","- C20 H21 Co N3 O7 S -","- C120 H126 Co6 N18 O42 S6 -","6","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0535","0.0469","","","0.1218","0.1273","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206665","14.628","0.0016","11.6031","0.0011","22.004","0.003","90","","116.141","0.009","90","","3352.7","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 N10 Ni4 O27 -","- C58 H36 N10 Ni4 O27 -","- C116 H72 N20 Ni8 O54 -","2","0.5","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","0.71073","MoKα","","0.1572","0.0573","","","0.0827","0.0978","","","","","","0.744","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206666","13.6038","0.0007","10.8508","0.0007","19.3004","0.0012","90","","95.047","0.004","90","","2837.9","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 N5 Ni2 O9 -","- C29 H18 N5 Ni2 O9 -","- C116 H72 N20 Ni8 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","","","","","","","","","","","","","","","","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206667","7.2482","0.001","7.5827","0.001","12.2794","0.0016","77.826","0.002","84.096","0.002","63.018","0.002","587.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Anthranilic acid Pyrazinamide","2-Aminobenzoic acid Pyrazinecarboxamide","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C24 H24 N8 O6 -","2","1","","Abourahma, Heba; Cocuzza, Devon S.; Melendez, Jesus; Urban, Jennifer M.","Pyrazinamide cocrystals and the search for polymorphs","CrystEngComm","2011","13","21","6442","","10.1039/c1ce05598d","","","0.71073","MoKα","","0.0877","0.0471","","","0.1132","0.1338","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206668","10.9374","0.0002","10.9374","0.0002","21.0837","0.0008","90","","90","","120","","2184.27","0.1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Gd O7 -","- C12 H17 Gd O7 -","- C72 H102 Gd6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0197","0.0191","","","0.04","0.0404","","","","","","1.136","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206669","10.9106","0.0002","10.9106","0.0002","20.9713","0.0007","90","","90","","120","","2161.99","0.09","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 O7 Tb -","- C12 H17 O7 Tb -","- C72 H102 O42 Tb6 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0465","0.0469","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206670","10.9445","0.0001","10.9445","0.0001","21.1465","0.0005","90","","90","","120","","2193.62","0.06","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Eu O7 -","- C12 H19 Eu O7 -","- C72 H114 Eu6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0193","0.0185","","","0.0418","0.0424","","","","","","1.104","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206671","10.8956","0.0002","10.8956","0.0002","20.9289","0.0012","90","","90","","120","","2151.69","0.14","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Dy O7 -","- C12 H17 Dy O7 -","- C72 H102 Dy6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0244","0.0213","","","0.0372","0.0379","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206672","6.4294","0.0008","20.626","0.003","11.6196","0.0011","90","","90.708","0.004","90","","1540.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-((mu2-biphenyl-4,4'-dicarboxylate)-(bis(mu3-1,3,5- triaza-7-phosphaadamantane)) -disilver(i)-dihydrate)","catena-((μ2-biphenyl-4,4'-dicarboxylate)- (bis(μ3-1,3,5-triaza-7-phosphaadamantane)) -disilver(I)-dihydrate)","","- C13 H20 Ag N3 O4 P -","- C13 H20 Ag N3 O4 P -","- C52 H80 Ag4 N12 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71073","MoKα","","0.0891","0.0461","","","0.0752","0.0867","","","","","","0.97","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206673","11.7271","0.0002","11.7707","0.0002","18.2633","0.0004","90","","98.704","0.001","90","","2491.96","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","catena-((mu4-phenyl-1,2,4,5-tetracarboxylate) -bis(mu2-1,3,5- triaza-7-phosphaadamantane) -bis(mu3-1,3,5-triaza-7-phosphaadamantane) - tetrasilver(i)-octahydrate)","catena-((μ4-phenyl-1,2,4,5-tetracarboxylate) -bis(μ2-1,3,5-triaza-7-phosphaadamantane) -bis(μ3-1,3,5-triaza-7-phosphaadamantane) -tetrasilver(I)-octahydrate)","","- C34 H50 Ag4 N12 O8 P4 -","- C34 H50 Ag4 N12 O8 P4 -","- C68 H100 Ag8 N24 O16 P8 -","2","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71069","MoKα","","0.0457","0.0376","","","0.1035","0.1085","","","","","","0.999","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206674","8.1689","0.0006","8.3465","0.0006","9.7857","0.0008","113.114","0.007","98.197","0.007","99.316","0.006","589.73","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0469","0.0368","","","0.1036","0.1073","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206675","8.196","0.0006","8.3777","0.0007","9.7987","0.0008","113.233","0.007","97.935","0.006","99.632","0.006","593.88","0.09","265","2","265","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0495","0.0388","","","0.1077","0.1117","","","","","","1.053","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206676","8.2133","0.0006","8.3969","0.0007","9.8069","0.0008","113.304","0.008","97.788","0.007","99.804","0.007","596.52","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.049","0.0382","","","0.1074","0.1114","","","","","","1.061","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206677","8.457","0.005","8.555","0.004","9.024","0.005","73.9","0.03","81.76","0.04","65.32","0.02","569.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","1","0.5","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0371","0.0347","","","0.1081","0.1146","","","","","","1.232","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206678","14.691","0.006","7.384","0.005","20.279","0.009","90","","90","","90","","2200","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl2 Hg N2 O -","- C7 H12 Cl2 Hg N2 O -","- C56 H96 Cl16 Hg8 N16 O8 -","8","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0451","0.045","","","0.1167","0.1168","","","","","","1.196","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206679","7.9451","0.0016","8.6039","0.0017","8.71","0.0017","64.75","0.03","73.33","0.03","63.46","0.03","478.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","1","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.149","0.0672","","","0.1495","0.1877","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206680","5.0087","0.001","15.303","0.004","12.989","0.004","90","","107.44","0.03","90","","949.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C36 H40 N12 O12 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0823","0.0462","","","0.1142","0.1572","","","","","","1.035","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206681","14.556","0.003","9.1625","0.0018","16.157","0.003","90","","116.29","0.03","90","","1932","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0911","0.0549","","","0.1586","0.1867","","","","","","1.09","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206682","8.2787","0.0017","16.705","0.003","13.977","0.003","90","","98.07","0.03","90","","1913.8","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1954","0.0899","","","0.1716","0.2192","","","","","","1.039","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206683","5.635","0.0011","11.689","0.002","15.962","0.003","90","","97.04","0.03","90","","1043.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1729","0.0833","","","0.1671","0.2303","","","","","","1.081","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206684","4.9429","0.001","15.579","0.003","13.581","0.003","90","","91.78","0.03","90","","1045.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0793","0.0496","","","0.1243","0.1675","","","","","","1.096","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206685","14.917","0.003","9.4759","0.0019","16.141","0.003","90","","111.52","0.03","90","","2122.5","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.128","0.0566","","","0.0988","0.1171","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206686","5.0052","0.001","20.411","0.004","20.976","0.004","90","","94.02","0.03","90","","2137.7","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.2324","0.079","","","0.1207","0.1589","","","","","","1.022","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206687","7.621","0.003","8.204","0.004","11.956","0.005","77.163","0.008","88.414","0.008","80.874","0.008","719.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H14 Cu2 N14 -","- C5 H14 Cu2 N14 -","- C10 H28 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0665","0.0577","","","0.1393","0.1452","","","","","","1.182","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206688","7.675","0.002","8.264","0.002","12.511","0.003","104.78","0.004","90.05","0.005","98.076","0.004","759.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu2 N14 -","- C6 H16 Cu2 N14 -","- C12 H32 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0704","0.0603","","","0.1592","0.167","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206689","8.022","0.0016","22.375","0.003","13.5792","0.0016","90","","121.182","0.007","90","","2085.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cu3 N22 -","- C6 H18 Cu3 N22 -","- C24 H72 Cu12 N88 -","4","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0653","0.0487","","","0.1142","0.1191","","","","","","1.091","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206690","10.7103","0.0009","11.2561","0.001","11.9413","0.0017","109.829","0.001","96.517","0.001","116.317","0.001","1152.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cu2 Mo4 N9 O14 -","- C9 H12 Cu2 Mo4 N9 O14 -","- C18 H24 Cu4 Mo8 N18 O28 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0437","0.0335","","","0.0756","0.0809","","","","","","0.971","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206691","10.6009","0.001","12.2124","0.0012","13.7623","0.0014","72.12","0.001","68.478","0.001","87.325","0.001","1573","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cu Mo4 N12 O15 -","- C16 H24 Cu Mo4 N12 O15 -","- C32 H48 Cu2 Mo8 N24 O30 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.058","0.0377","","","0.0855","0.0942","","","","","","1.034","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206692","14.5811","0.0009","11.2874","0.0007","15.849","0.0009","90","","106.046","0.001","90","","2506.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cu Mo4 N6 O15 -","- C12 H12 Cu Mo4 N6 O15 -","- C48 H48 Cu4 Mo16 N24 O60 -","4","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0478","0.04","","","0.1057","0.1103","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206693","10.2447","0.0003","29.148","0.001","10.2114","0.0003","90","","106.636","0.002","90","","2921.62","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5H-dibenz(b,f)azepine-5-carboxamide 2-(1-((4- chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid (1/1)","","- C34 H28 Cl N3 O5 -","- C34 H28 Cl N3 O5 -","- C136 H112 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare; Williams, Adrian C.; Spillman, Mark J.; Shankland, Norman; Shankland, Kenneth","A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling","CrystEngComm","2011","13","21","6327","","10.1039/c1ce05650f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206694","5.3232","0.001","15.896","0.003","25.664","0.005","90","","90","","90","","2171.6","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 O6 -","- C20 H24 F6 O6 -","- C80 H96 F24 O24 -","4","1","","Kataoka, Keisuke; Yanagi, Masato; Katagiri, Toshimasa","A crystal engineering weaving of half-spiral molecules by hydrogen bonding chains into tube structures","CrystEngComm","2011","13","21","6342","","10.1039/c1ce05663h","","","0.71075","MoKα","","","0.0334","","","","0.0814","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206695","10.0681","0.0003","10.0681","0.0003","23.396","0.001","90","","90","","90","","2371.57","0.14","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H16 Br2 Co O4 -","- C8 H16 Br2 Co O4 -","- C64 H128 Br16 Co8 O32 -","8","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0868","0.041","","","0.1179","0.1328","","","","","","1.029","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206696","5.8213","0.0015","6.9778","0.0018","10.275","0.003","99.636","0.003","101.641","0.003","112.746","0.002","362.81","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0298","0.0285","","","0.0602","0.0609","","","","","","1.134","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206697","23.4355","0.0004","25.8418","0.0006","11.7298","0.0002","90","","113.109","0.001","90","","6533.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C128 H384 Br32 Co16 O128 -","16","2","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.1052","0.0378","","","0.083","0.1012","","","","","","0.913","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206698","9.1728","0.0003","9.1728","0.0003","19.5503","0.0007","90","","90","","90","","1644.97","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C32 H96 Br8 Co4 O32 -","4","0.25","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0621","0.0433","","","0.1132","0.1239","","","","","","1.046","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206699","6.4597","0.0016","9.033","0.002","9.738","0.003","105.54","0.004","98.341","0.003","92.69","0.003","539.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0398","0.0355","","","0.0683","0.0705","","","","","","1.098","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206700","7.73","0.002","7.265","0.001","15.295","0.002","90","","115.818","0.008","90","","773.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0344","0.031","","","0.0749","0.0774","","","","","","1.03","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206701","8.194","0.0006","9.498","0.0007","17.3407","0.001","90","","110.609","0.003","90","","1263.2","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.041","0.0372","","","0.0931","0.0964","","","","","","1.06","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206702","8.149","0.004","8.793","0.003","12.745","0.003","92.07","0.002","95.979","0.003","92.462","0.002","906.7","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0511","0.0407","","","0.1189","0.1272","","","","","","1.084","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206703","31.128","0.006","8.2169","0.0016","17.034","0.003","90","","90","","90","","4356.9","1.4","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0862","0.0481","","","0.1181","0.1365","","","","","","1.04","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206704","9.288","0.004","10.108","0.005","11.775","0.006","90","","112.531","0.008","90","","1021.1","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H11 Ag N5 O3 -","- C6 H11 Ag N5 O3 -","- C24 H44 Ag4 N20 O12 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0419","0.0318","","","0.0836","0.0886","","","","","","1.134","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206705","6.915","0.003","12.114","0.005","12.735","0.005","106.082","0.006","91.756","0.007","100.229","0.007","1005.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","1","0.5","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0953","0.0744","","","0.158","0.1681","","","","","","1.168","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206706","7.127","0.003","11.788","0.005","12.716","0.005","62.542","0.007","74.618","0.007","75.193","0.009","902.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Ag2 N10 O4 -","- C13 H20 Ag2 N10 O4 -","- C26 H40 Ag4 N20 O8 -","2","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0491","0.0387","","","0.0897","0.094","","","","","","1.042","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206707","11.786","0.003","23.065","0.007","8.343","0.002","90","","123.095","0.004","90","","1900.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Ag N5 O2 -","- C7 H11 Ag N5 O2 -","- C56 H88 Ag8 N40 O16 -","8","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0379","0.0331","","","0.0844","0.0868","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206708","10.551","0.007","8.536","0.006","12.311","0.008","90","","115.375","0.003","90","","1001.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Ag N5 O2 -","- C8 H9 Ag N5 O2 -","- C32 H36 Ag4 N20 O8 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0551","0.0421","","","0.0989","0.1028","","","","","","0.99","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206709","4.9117","0.0011","5.1136","0.001","11.033","0.003","79.955","0.014","75.771","0.016","61.571","0.017","235.68","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","Silver (II) triflate","Silver (II) trifluoromethanesulfonate","","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","1","0.5","","Malinowski, Przemysław J.; Mazej, Zoran; Derzsi, Mariana; Jagličić, Zvonko; Szydłowska, Jadwiga; Gilewski, Tomasz; Grochala, Wojciech","Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]\ιnfty chains hosting antiferromagnetism","CrystEngComm","2011","13","22","6871","","10.1039/c1ce05712j","powder diffraction","","1.5418","CuKα","","0.0393","","","","","","","","2.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206710","25.614","0.005","10.367","0.002","14.328","0.003","90","","110.43","0.03","90","","3565.3","1.4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Cl4 Cu N2 O4 -","- C34 H42 Cl4 Cu N2 O4 -","- C136 H168 Cl16 Cu4 N8 O16 -","4","0.5","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0282","0.0258","","","0.0754","0.0768","","","","","","1.135","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206711","10.471","0.002","14.032","0.003","27.239","0.005","90","","94.8","0.03","90","","3988.2","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H47 Cl4 Cu N2 O4 -","- C164 H188 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0395","0.0337","","","0.0807","0.084","","","","","","1.072","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206712","10.467","0.002","14.108","0.003","27.33","0.006","90","","95.29","0.03","90","","4018.6","1.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H46 Cl4 Cu N2 O4 -","- C164 H184 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0361","0.0325","","","0.081","0.0835","","","","","","0.961","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206713","15.823","0.003","17.165","0.003","18.838","0.004","64.88","0.03","72.07","0.03","63.17","0.03","4090.8","1.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C168 H197 Cl14 Cu2 N8 O21 -","2","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0716","0.057","","","0.1557","0.1633","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206714","16.936","0.003","13.756","0.002","15.609","0.002","90","","90","","90","","3636.5","1","298","2","298","2","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C78 H58 Ag2 F12 N8 O6 P2 -","- C78 H58 Ag2 F12 N8 O6 P2 -","- C156 H116 Ag4 F24 N16 O12 P4 -","2","0.25","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0961","0.0671","","","0.1617","0.1815","","","","","","1.077","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7206715","8.9896","0.0012","31.618","0.004","12.7659","0.0017","90","","105.991","0.002","90","","3488.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0544","0.0451","","","0.1166","0.1202","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206716","10.518","0.002","13.249","0.002","13.926","0.003","83.357","0.003","82.318","0.003","70.574","0.003","1808.5","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","1","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0625","0.045","","","0.088","0.0925","","","","","","0.944","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206717","7.8309","0.0013","13.545","0.002","17.271","0.003","73.472","0.002","89.038","0.002","80.625","0.003","1731.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C60 H40 Ag4 F24 N8 O6 Sb4 -","2","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0658","0.0473","","","0.1212","0.1312","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206718","7.8557","0.001","18.207","0.002","13.4719","0.0017","90","","103.544","0.002","90","","1873.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H11 Ag F3 N2 O5 S -","- C16 H11 Ag F3 N2 O5 S -","- C64 H44 Ag4 F12 N8 O20 S4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0533","0.0499","","","0.1528","0.1557","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206719","23.985","0.003","19.144","0.003","8.5795","0.0013","90","","90.577","0.003","90","","3939.2","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H31 Ag F6 N4 O4 Sb -","- C37 H31 Ag F6 N4 O4 Sb -","- C148 H124 Ag4 F24 N16 O16 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0747","0.0648","","","0.1691","0.1772","","","","","","1.055","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206720","24.406","0.004","18.749","0.003","8.3657","0.0012","90","","90.991","0.002","90","","3827.5","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag F6 N4 O3 P -","- C33 H23 Ag F6 N4 O3 P -","- C132 H92 Ag4 F24 N16 O12 P4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0744","0.0586","","","0.1538","0.1616","","","","","","1.071","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206721","24.97","0.019","18.714","0.014","8.194","0.006","90","","90.02","0.02","90","","3829","5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag Cl N4 O7 -","- C33 H23 Ag Cl N4 O7 -","- C132 H92 Ag4 Cl4 N16 O28 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0881","0.0566","","","0.1364","0.1485","","","","","","0.968","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206722","14.038","0.003","18.203","0.003","13.527","0.002","90","","97.894","0.003","90","","3423.8","1.1","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.1073","0.0923","","","0.2513","0.2609","","","","","","1.109","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206723","13.9206","0.0017","18.112","0.002","26.968","0.003","90","","100.037","0.002","90","","6695.4","1.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Ag F6 N4 O4 P -","- C34 H28 Ag F6 N4 O4 P -","- C272 H224 Ag8 F48 N32 O32 P8 -","8","2","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0632","0.0529","","","0.131","0.1394","","","","","","1.021","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206724","24.744","0.004","13.627","0.002","19.476","0.003","90","","102.663","0.003","90","","6407.3","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C244 H176 Ag8 Cl16 N32 O60 -","8","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0796","0.0567","","","0.1649","0.1852","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206725","23.317","0.005","18.586","0.004","9.209","0.0018","90","","106.36","0.03","90","","3829.3","1.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cesium triphenylcyanoborate","","- C39 H34 B2 Cs2 N2 O -","- C39 H34 B2 Cs2 N2 O -","- C156 H136 B8 Cs8 N8 O4 -","4","0.5","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0486","0.036","","","0.0895","0.0946","","","","","","1.061","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206726","27.406","0.006","15.76","0.003","15.649","0.003","90","","90","","90","","6759","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","rubidium triphenylcyanoborate","","- C19 H15 B N Rb -","- C19 H15 B N Rb -","- C304 H240 B16 N16 Rb16 -","16","2","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.1975","0.0554","","","0.0961","0.1162","","","","","","0.861","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206727","17.1789","0.0016","17.1789","0.0016","11.4979","0.001","90","","90","","90","","3393.2","0.5","297","2","297","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","potassium triphenylcyanoborate","","- C19 H16 B K N O0.5 -","- C19 H16 B K N O0.5 -","- C152 H128 B8 K8 N8 O4 -","8","1","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0375","0.031","","","0.0733","0.0767","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206728","9.1733","0.001","10.6165","0.0011","24.064","0.003","90","","90.718","0.001","90","","2343.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cd N5 O10 -","- C18 H23 Cd N5 O10 -","- C72 H92 Cd4 N20 O40 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0447","0.0421","","","0.1032","0.1048","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206729","10.5156","0.0015","9.3977","0.0013","23.034","0.003","90","","99.967","0.002","90","","2241.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H21 Cd N5 O9 -","- C18 H17 Cd N5 O9 -","- C72 H68 Cd4 N20 O36 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0414","0.037","","","0.128","0.135","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206730","10.6193","0.0003","15.0562","0.0004","16.2601","0.0004","108.694","0.004","95.323","0.003","109.312","0.004","2265.87","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 N12 O8 S4 -","- C41 H43 N12 O8 S4 -","- C82 H86 N24 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0722","0.0517","","","0.1257","0.1394","","","","","","1.032","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206731","8.386","0.0007","17.295","0.0012","15.4566","0.0011","90","","98.935","0.003","90","","2214.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O4 S2 -","- C19 H22 N5 O4 S2 -","- C76 H88 N20 O16 S8 -","4","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1077","0.0713","","","0.1812","0.2117","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206732","9.0382","0.0002","9.5723","0.0002","12.537","0.0003","100.183","0.003","104.203","0.003","101.444","0.003","1001.16","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 O4 S2 -","- C17 H18 N5 O4 S2 -","- C34 H36 N10 O8 S4 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0735","0.0657","","","0.1788","0.1882","","","","","","1.069","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206733","11.8193","0.0004","12.8098","0.0005","26.3527","0.001","91.574","0.002","95.655","0.002","100.64","0.003","3897.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N6 O4 S2 -","- C24 H26 N6 O4 S2 -","- C144 H156 N36 O24 S12 -","6","3","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1094","0.0802","","","0.2103","0.2389","","","","","","1.071","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206734","9.0972","0.0002","9.5762","0.0002","23.8891","0.0003","86.224","0.001","88.273","0.001","88.214","0.001","2074.79","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 O8 S4 -","- C36 H40 N10 O8 S4 -","- C72 H80 N20 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0832","0.0604","","","0.1459","0.1628","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206735","8.308","0.0005","5.4673","0.0004","12.057","0.0013","90","","97.814","0.011","90","","542.57","0.08","295","2","295","2","","","100","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1776","0.1021","","","0.2432","0.287","","","","","","1.07","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206736","8.1397","0.0014","5.2541","0.0009","11.853","0.004","90","","98.2","0.03","90","","501.7","0.2","295","2","295","2","","","600000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.203","0.1185","","","0.2773","0.3446","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206737","8.953","0.0018","3.865","0.0008","13.081","0.003","90","","90.47","0.03","90","","452.63","0.17","295","2","295","2","","","1000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1197","0.0745","","","0.1431","0.1658","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206738","9.047","0.0005","3.6626","0.0002","12.7481","0.0015","90","","92.304","0.01","90","","422.07","0.06","295","2","295","2","","","2000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1058","0.062","","","0.1389","0.1595","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206739","9.0625","0.0006","3.5605","0.0002","12.5539","0.0017","90","","92.541","0.011","90","","404.68","0.07","295","2","295","2","","","3500000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1081","0.0618","","","0.1343","0.1613","","","","","","1.08","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206740","9.0721","0.0017","3.4383","0.0006","12.285","0.005","90","","92.72","0.03","90","","382.77","0.18","295","2","295","2","","","6200000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.0729","0.0494","","","0.1133","0.1258","","","","","","1.078","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206741","9.655","0.003","9.344","0.003","30.965","0.009","90","","93.859","0.005","90","","2787.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N3 O17 P4 Zn3 -","- C17 H15 N3 O17 P4 Zn3 -","- C68 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0613","0.0545","","","0.1376","0.1427","","","","","","1.089","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206742","9.646","0.003","9.41","0.003","30.929","0.01","90","","93.338","0.005","90","","2802.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H27 N3 O17 P4 Zn3 -","- C16.5 H15 N3 O17 P4 Zn3 -","- C66 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0854","0.0787","","","0.182","0.1864","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206743","18.863","0.008","5.722","0.003","21.51","0.009","90","","116.96","0.03","90","","2069.4","1.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TTFPhU-THF","","","- C18.96 H15.92 N2 O2.74 S4 -","- C18.96 H15.92 N2 O2.74 S4 -","- C75.84 H63.68 N8 O10.96 S16 -","4","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKa","","0.1107","0.0691","","","0.203","0.2219","","","","","","1.026","","","","has coordinates","295951","2024-11-15","23:13:16",""
"7206744","35.208","0.002","5.6195","0.0003","25.61","0.002","90","","126.721","0.002","90","","4061.5","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TTFPhU-pyridine","TTFPhU-pyridine","","- C21 H15 N3 O2 S4 -","- C21 H15 N3 O2 S4 -","- C168 H120 N24 O16 S32 -","8","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKα","","0.1628","0.0688","","","0.1109","0.1335","","","","","","0.976","","","","has coordinates","295951","2024-11-15","23:13:16",""
"7206745","9.7727","0.0018","18.576","0.003","10.561","0.002","90","","98.148","0.003","90","","1897.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cd N2 O11 -","- C15 H8 Cd N2 O11 -","- C60 H32 Cd4 N8 O44 -","4","1","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.0723","0.0447","","","0.1191","0.1314","","","","","","1.107","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206746","19.0321","0.0004","7.1489","0.0001","18.746","0.0004","90","","119.292","0.003","90","","2224.43","0.1","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H47 Cd3 N5 O25 -","- C34 H14 Cd3 N5 O25 -","- C68 H28 Cd6 N10 O50 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","1.54178","CuKα","","0.0304","0.0299","","","0.0867","0.0872","","","","","","1.158","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206747","30.3206","0.0018","7.247","0.0003","19.337","0.0009","90","","106.844","0.002","90","","4066.7","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H82 Mn6 N8 O51 -","- C60 H28 Mn6 N8 O51 -","- C120 H56 Mn12 N16 O102 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.08","0.0519","","","0.1312","0.1813","","","","","","1.076","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206748","5.707","0.003","8.886","0.005","9.503","0.005","71.733","0.005","79.378","0.009","84.199","0.009","449.3","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.1234","0.0849","","","0.2049","0.2317","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206749","5.7108","0.0017","9.011","0.003","9.451","0.003","70.55","0.003","81.022","0.004","85.818","0.003","452.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0386","0.0333","","","0.0871","0.0908","","","","","","1.059","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206750","5.441","0.004","8.892","0.006","9.554","0.007","74.542","0.008","82.346","0.008","76.224","0.008","431.5","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0348","0.0325","","","0.0941","0.0971","","","","","","1.034","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206751","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H118 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1116","0.1045","","","0.2965","0.3034","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206752","38.903","0.005","38.903","0.005","16.736","0.003","90","","90","","120","","21936","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C169 H142 Cl3 I24 N32 O12 Zn12 -","- C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12 -","- C507.24 H354.24 Cl9 I72 N95.76 O36 Zn36 -","3","0.166667","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1799","0.1571","","","0.3837","0.3959","","","","","","2.582","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206753","9.8708","0.0017","10.5239","0.0011","20.888","0.004","90","","101.277","0.013","90","","2127.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13.5 Cl I2 N4 O0.25 Zn -","- C20 H13 Cl I2 N4 O0.25 Zn -","- C80 H52 Cl4 I8 N16 O Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0382","0.0343","","","0.0844","0.0868","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206754","17.353","0.003","10.3148","0.0016","20.974","0.004","90","","90","","90","","3754.2","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Cl3 N4 Zn -","- C20 H13 Cl3 N4 Zn -","- C160 H104 Cl24 N32 Zn8 -","8","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0823","0.0828","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206755","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0885","0.0816","","","0.2271","0.2349","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206757","10.4133","0.0009","11.8185","0.0011","14.8969","0.0013","90","","90.08","","90","","1833.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O6 Zn -","- C19 H17 N3 O6 Zn -","- C76 H68 N12 O24 Zn4 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0644","0.0498","","","0.1008","0.1075","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206758","22.479","0.007","13.058","0.004","17.853","0.01","90","","119.695","0.004","90","","4552","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 N4 O15 Zn2 -","- C44 H40 N4 O15 Zn2 -","- C176 H160 N16 O60 Zn8 -","4","0.5","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0535","0.0419","","","0.1231","0.1354","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206759","8.9846","0.0002","9.2383","0.0002","13.4394","0.0003","82.95","0.001","83.474","0.001","84.599","0.001","1096.25","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N4 O8 Zn -","- C19 H20 N4 O8 Zn -","- C38 H40 N8 O16 Zn2 -","2","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0434","0.036","","","0.1031","0.1087","","","","","","1.023","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206760","11.572","0.004","17.273","0.007","15.536","0.006","90","","98.17","0.007","90","","3074","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd2 N4 O11 -","- C28 H26 Cd2 N4 O11 -","- C112 H104 Cd8 N16 O44 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.1315","0.0794","","","0.1969","0.2288","","","","","","1.038","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206761","10.64","0.02","21.61","0.05","7.347","0.016","90","","133.67","","90","","1222","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl2 Cu N8 -","- C8 H6 Cl2 Cu N8 -","- C32 H24 Cl8 Cu4 N32 -","4","0.5","","Li, Bing; Chen, Shun-Wei; Chen, Zheng; Chen, Jie; Guo, Jian-Zhong; Liu, Li","The self-assembly of single-walled metal‒organic nanotubes constructed from CuCl2 chains and ditetrazoles","CrystEngComm","2011","13","22","6610","","10.1039/c1ce05921a","","","0.71073","MoKα","","0.0912","0.0618","","","0.0905","0.1061","","","","","","0.896","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206762","22.687","0.003","14.2059","0.0016","32.493","0.004","90","","90","","90","","10472","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Ni2(oba)2(bpy)3(H2O)4)","","","- C58 H48 N6 Ni2 O14 -","- C58 H48 N6 Ni2 O14 -","- C464 H384 N48 Ni16 O112 -","8","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.2084","0.0965","","","0.1893","0.2425","","","","","","1.016","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206763","27.956","0.002","27.956","0.002","16.8396","0.0013","90","","90","","90","","13160.8","1.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(Co2(oba)2(bpy)3(H2O)2).bpy.H2O","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C544 H480 Co16 N64 O128 -","16","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.0965","0.0608","","","0.1538","0.1888","","","","","","1.055","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206764","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","CAGLIARI 165","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206765","26.67","0.005","8.4146","0.0017","13.05","0.003","90","","118.49","0.03","90","","2574","1.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2005slh0245/132","","- C20 H12 I5.5 N2 -","- C20 H12 I5.4 N2 -","- C80 H48 I21.6 N8 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.0514","0.0469","","","0.1202","0.1233","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206786","18.0736","0.0005","6.149","0.0002","23.5057","0.0006","90","","97.344","0.001","90","","2590.87","0.13","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Br2 Cl6 N4 O4 -","- C16 H22 Br2 Cl6 N4 O4 -","- C64 H88 Br8 Cl24 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0494","0.0338","","","0.0728","0.0787","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206787","6.7065","0.0002","18.5969","0.0006","7.1006","0.0002","90","","99.5","0.002","90","","873.44","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C14 H20 Br2 N6 O4 -","- C14 H20 Br2 N6 O4 -","- C28 H40 Br4 N12 O8 -","2","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.03","0.0279","","","0.068","0.0689","","","","","","1.065","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206788","16.8164","0.0007","16.8164","0.0007","14.3925","0.0009","90","","90","","90","","4070.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C22 H28 I4 N8 O8 -","- C22 H28 I4 N8 O8 -","- C88 H112 I16 N32 O32 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0676","0.0562","","","0.1228","0.1261","","","","","","1.197","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206789","30.8657","0.0008","6.1071","0.0001","8.2339","0.0002","90","","95.363","0.002","90","","1545.3","0.06","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 I2 N5 O4 -","- C11 H11 I2 N5 O4 -","- C44 H44 I8 N20 O16 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0207","0.0188","","","0.0437","0.0447","","","","","","1.159","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206790","9.9306","0.0007","18.8619","0.0013","15.0246","0.001","90","","97.401","0.001","90","","2790.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cd N5 O11 Zn -","- C25 H25 Cd N5 O11 Zn -","- C100 H100 Cd4 N20 O44 Zn4 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0419","0.0281","","","0.0622","0.0683","","","","","","1.028","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206791","16.6799","0.0012","10.6208","0.0008","21.4547","0.0016","90","","92.312","0.001","90","","3797.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cd2 Cl2 N6 O8 -","- C34 H40 Cd2 Cl2 N6 O8 -","- C136 H160 Cd8 Cl8 N24 O32 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0641","0.0408","","","0.0858","0.0979","","","","","","1.031","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206792","22.708","0.005","10.553","0.002","19.758","0.004","90","","90","","90","","4734.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H32 Cu N4 O8 -","- C34 H32 Cu N4 O8 -","- C136 H128 Cu4 N16 O32 -","4","1","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.1426","0.0962","","","0.2501","0.2804","","","","","","0.919","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206793","10.0124","0.0006","14.1908","0.0009","21.6482","0.0016","90","","102.265","0.002","90","","3005.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H60 Cu4 N4 O24 -","- C47 H60 Cu4 N4 O24 -","- C94 H120 Cu8 N8 O48 -","2","0.5","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.066","0.0486","","","0.1254","0.1346","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206794","26.823","0.004","8.765","0.002","20.686","","90","0.003","115.94","0.02","90","","4373.4","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C104 H208 Cu8 F48 N48 O48 Si8 -","4","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0746","0.0402","","","0.0737","0.0828","","","","","","0.957","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206795","10.1448","0.0017","16.441","0.002","13.18","0.002","90","","109.542","0.002","90","","2071.7","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl2 Cu3 N12 O20 -","- C30 H36 Cl2 Cu3 N12 O20 -","- C60 H72 Cl4 Cu6 N24 O40 -","2","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0378","0.0289","","","0.0635","0.0672","","","","","","0.999","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206796","7.6833","0.0018","9.5255","0.0019","13.551","0.004","85.33","0.007","87.06","0.006","80.222","0.007","973.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl Cu N5 O11 -","- C12 H22 Cl Cu N5 O11 -","- C24 H44 Cl2 Cu2 N10 O22 -","2","1","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0335","0.0277","","","0.0693","0.0714","","","","","","1.003","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206797","14.362","0.002","14.58","0.002","15.887","0.002","86.106","0.002","80.269","0.002","87.555","0.002","3269.6","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cd2 N10 O19 S2 -","- C64 H54.5 Cd2 N10 O19 S2 -","- C128 H109 Cd4 N20 O38 S4 -","2","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0695","0.0497","","","0.1387","0.1562","","","","","","1.028","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206798","24.122","0.003","12.739","0.0014","20.106","0.002","90","","108.832","0.001","90","","5847.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N5 O6 S Zn -","- C32 H21 N5 O6 S Zn -","- C256 H168 N40 O48 S8 Zn8 -","8","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0643","0.0405","","","0.1182","0.1337","","","","","","1","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206799","11.8037","0.0004","16.6966","0.0006","12.9072","0.0004","90","","106.726","0.001","90","","2436.15","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cd N4 O6 S -","- C24 H22 Cd N4 O6 S -","- C96 H88 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0471","0.0428","","","0.1558","0.1591","","","","","","1.318","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206800","11.5434","0.0008","16.3088","0.0012","12.8836","0.001","90","","106.192","0.004","90","","2329.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd N4 O6 S -","- C23 H20 Cd N4 O6 S -","- C92 H80 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.1797","0.1723","","","0.5961","0.6109","","","","","","1.079","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206801","9.0116","0.0007","9.408","0.0006","18.0095","0.0014","83.76","0.006","76.517","0.007","79.61","0.006","1456.89","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (+/-) 2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (+/-) 2-methyl-1-butanol","","- C30 H38 N2 O7 -","- C25 H26 N2 O6 -","- C50 H52 N4 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0884","0.0566","","","0.1785","0.1877","","","","","","0.986","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206802","8.9857","0.0002","9.4136","0.0002","17.9866","0.0004","83.674","0.002","76.62","0.002","79.597","0.002","1452.09","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (S)2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (S)2-methyl-1-butanol","","- C60 H76 N4 O14 -","- C50 H51.17 N4 O12 -","- C50 H51.17 N4 O12 -","1","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0727","0.0483","","","0.1363","0.1451","","","","","","0.903","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206803","11.4001","0.0011","17.4597","0.0016","11.6727","0.0009","90","","101.406","0.009","90","","2277.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine,","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine,","","- C25 H26 N2 O6 -","- C25 H26 N2 O6 -","- C100 H104 N8 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.1122","0.0637","","","0.1799","0.1967","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206804","11.263","0.0006","16.4363","0.0008","17.4733","0.0009","90","","90","","90","","3234.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C160 H176 N8 O16 -","4","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.063","0.0457","","","0.1173","0.1281","","","","","","1.025","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206805","12.263","0.003","13.918","0.003","11.155","0.002","90","","115.55","0.03","90","","1717.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate polymorph","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0452","0.0369","","","0.0929","0.0999","","","","","","1.046","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206806","7.6923","0.0011","9.1752","0.0013","12.7495","0.0018","77.96","0.003","76.026","0.003","66.76","0.002","795.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylformamide clathrate","","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","1","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0499","0.0411","","","0.1068","0.1127","","","","","","1.036","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206807","7.546","0.0012","26.221","0.004","9.1335","0.0013","90","","113.272","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylacetamide clathrate","","- C38 H40 N2 O4 -","- C37.99 H40 N1.99 O4 -","- C75.98 H80 N3.98 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0786","0.0539","","","0.1304","0.1446","","","","","","1.023","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206808","8.276","0.0017","8.992","0.0018","18.972","0.004","84.68","0.03","89.23","0.03","67.92","0.03","1302.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylformamide clathrate","","- C34 H31 N O3 -","- C34 H31 N O3 -","- C68 H62 N2 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0694","0.0462","","","0.1059","0.1213","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206809","10.3078","0.0006","10.8225","0.0006","11.6724","0.0006","77.501","0.002","77.642","0.001","88.44","0.001","1241.56","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dihydrate","","- C32 H30 O4 -","- C32 H30 O4 -","- C64 H60 O8 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0432","0.0376","","","0.0945","0.099","","","","","","1.025","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206810","11.226","0.005","15.635","0.005","18.927","0.005","90.957","0.005","93.269","0.005","104.534","0.005","3209","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 N8 O40 Si W12 -","- C40 H40 N8 O40 Si W12 -","- C80 H80 N16 O80 Si2 W24 -","2","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71069","MoKα","","0.1208","0.0728","","","0.1769","0.2031","","","","","","1.051","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206811","41.293","0.004","20.8098","0.0006","21.1399","0.0006","90","","116.333","0.002","90","","16280.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Co N12 O40 W12 -","- C60 H52 Co N12 O40 W12 -","- C480 H416 Co8 N96 O320 W96 -","8","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71073","MoKα","","0.088","0.0546","","","0.1561","0.1758","","","","","","1.031","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206812","22.274","0.003","22.274","0.003","16.94","0.003","90","","90","","120","","7278.5","1.9","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H16 Ag2 N8 O7 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0212","0.0205","","","0.059","0.0594","","","","","","1.138","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206813","22.1713","0.0016","22.1713","0.0016","16.947","0.002","90","","90","","120","","7214.5","1.1","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H10 Ag2 N8 O4 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0304","0.0294","","","0.0788","0.0796","","","","","","1.084","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206814","39.005","0.006","17.221","0.003","16.817","0.003","90","","92.326","0.003","90","","11287","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cu3 N10 O22 -","- C50 H52 Cu3 N10 O22 -","- C400 H416 Cu24 N80 O176 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0808","0.0581","","","0.1488","0.1649","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206815","19.352","0.003","10.6369","0.0014","26.107","0.003","90","","102.614","0.003","90","","5244.3","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cu N5 O9.5 -","- C22 H21 Cu N5 O9.5 -","- C176 H168 Cu8 N40 O76 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0875","0.0742","","","0.2073","0.2188","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206816","17.379","0.005","9.906","0.005","22.043","0.005","90","0.005","90","0.005","90","0.005","3795","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H8 In N0 O8 -","- C17 H8 In O8 -","- C68 H32 In4 O32 -","4","0.5","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0851","0.0695","","","0.1774","0.1812","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206817","26.6496","0.0005","11.4204","0.0002","17.5511","0.0003","90","","90","","90","","5341.66","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H24 Co2 N4 O8 -","- C37 H24 Co2 N4 O8 -","- C148 H96 Co8 N16 O32 -","4","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0508","0.0355","","","0.0713","0.0756","","","","","","1.002","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206818","14.687","0.005","18.524","0.005","16.622","0.005","90","0.005","90","0.005","90","0.005","4522","2","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C41 H28 N4 O8 Zn2 -","- C41 H28 N4 O8 Zn2 -","- C164 H112 N16 O32 Zn8 -","4","","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.049","0.0425","","","0.1106","0.1159","","","","","","1.04","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206819","19.8876","0.0004","19.8876","0.0004","19.1704","0.0006","90","","90","","120","","6566.4","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C69 H51 Co4 N7 O18 -","- C69 H51 Co4 N7 O18 -","- C207 H153 Co12 N21 O54 -","3","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.0883","0.0732","","","0.2113","0.2179","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206820","15.2175","0.0019","29.825","0.003","21.3743","0.0018","90","","120.124","0.006","90","","8390.8","1.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0589","0.0484","","","0.0913","0.0962","","","","","","1.111","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206821","15.211","0.003","29.834","0.006","21.305","0.008","90","","120.04","0.02","90","","8370","4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H284 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0792","0.056","","","0.1016","0.1132","","","","","","1.073","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206822","15.144","0.002","30.066","0.005","21.804","0.003","90","","120.455","0.007","90","","8558","2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.1152","0.0729","","","0.1721","0.2019","","","","","","1.019","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206823","15.166","0.002","29.955","0.004","21.596","0.002","90","","120.309","0.007","90","","8470","1.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0775","0.0581","","","0.1143","0.1238","","","","","","1.104","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206824","15.2027","0.0019","29.845","0.004","21.4094","0.0018","90","","120.174","0.006","90","","8397.8","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0706","0.056","","","0.1195","0.1284","","","","","","1.102","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206825","13.036","0.003","34.721","0.006","23.393","0.005","90","","92.699","0.004","90","","10576","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H95 La2 N2 O17 S6 -","- C86 H72 La2 N2 O17 S6 -","- C344 H288 La8 N8 O68 S24 -","4","1","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.1127","0.0591","","","0.138","0.1567","","","","","","0.918","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206826","9.8233","0.0005","13.2039","0.0007","15.9391","0.0008","113.863","0.001","96.308","0.001","92.677","0.001","1869.74","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0438","0.0323","","","0.0761","0.083","","","","","","0.941","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206827","12.668","0.002","14.585","0.003","17.323","0.003","113.754","0.002","109.044","0.002","90.263","0.002","2734.7","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 La2 N6 O22 S6 -","- C93 H111 La2 N5 O20 S6 -","- C93 H111 La2 N5 O20 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0446","0.0379","","","0.1101","0.1152","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206828","5.4867","0.0002","42.1629","0.0016","9.0036","0.0003","90","","90.131","0.004","90","","2082.84","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0682","0.0648","","","0.1597","0.1614","","","","","","1.109","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206829","5.22808","0.00005","9.49693","0.00009","16.70757","0.00016","90","","95.6549","0.0009","90","","825.506","0.014","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N4 O2 -","- C16 H26 N4 O2 -","- C32 H52 N8 O4 -","2","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0286","0.0271","","","0.0705","0.0717","","","","","","1.047","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206830","13.9923","0.0002","14.3096","0.0002","32.6979","0.0005","90","","90","","90","","6546.91","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37.5 N4 O10.75 S Zn -","- C24 H20 N4 O10.25 S Zn -","- C192 H160 N32 O82 S8 Zn8 -","8","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","0.71073","MoKα","","0.079","0.0636","","","0.1622","0.168","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206831","13.37139","0.00006","13.37139","0.00006","41.4227","0.0002","90","","90","","120","","6413.9","0.05","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H46 Br2 N6 O5.5 Zn -","- C37 H41.5 Br2 N6 O5.5 Zn -","- C222 H249 Br12 N36 O33 Zn6 -","6","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0253","0.0249","","","0.077","0.0772","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206832","11.63262","0.00009","11.63262","0.00009","39.8175","0.0003","90","","90","","120","","4666.16","0.06","173","2","173","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H42.17 N6 O8.58 S Zn -","- C24 H39 N6 O8.58 S Zn -","- C144 H234 N36 O51.48 S6 Zn6 -","6","0.333333","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0324","0.0324","","","0.0928","0.0928","","","","","","1.038","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206833","39.03","0.002","11.8817","0.0002","27.633","0.0013","90","","123.78","0.007","90","","10651.2","1.2","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H154 Br6 N16 O21 Zn3 -","- C64 H80 Br6 N16 O8 Zn3 -","- C256 H320 Br24 N64 O32 Zn12 -","4","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0441","0.0388","","","0.1085","0.1254","","","","","","1.106","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206834","10.1765","0.0001","16.0472","0.0002","20.1566","0.0002","90","","95.619","0.001","90","","3275.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N7 O5 Zn -","- C35 H25 N7 O5 Zn -","- C140 H100 N28 O20 Zn4 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","1.54184","CuKα","","0.0634","0.0472","","","0.1346","0.1505","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206835","21.4447","0.001","16.3875","0.0006","10.392","0.0005","90","","90","","90","","3652","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H28 N7 O9 S0 Zn2 -","- C36 H24 N7 O9 Zn2 -","- C144 H96 N28 O36 Zn8 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1046","0.0497","","","0.1022","0.1156","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206836","17.797","0.0004","7.73","0.0002","26.675","0.0006","90","","93.466","0.002","90","","3662.99","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H53 N14 O23 Zn4 -","- C74 H46 N14 O23 Zn4 -","- C148 H92 N28 O46 Zn8 -","2","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.0648","0.038","","","0.0765","0.0808","","","","","","0.89","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206837","11.3128","0.0008","29.2377","0.0018","10.1543","0.0005","90","","109.132","0.006","90","","3173.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Mn N7 O5 -","- C35 H27 Mn N7 O5 -","- C140 H108 Mn4 N28 O20 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1287","0.0418","","","0.0403","0.0468","","","","","","0.806","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206838","13.889","0.0013","15.758","0.001","21.96","0.0012","91.108","0.005","107.134","0.006","115.87","0.007","4071.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H140 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.1324","0.0642","","","0.151","0.1693","","","","","","0.824","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206839","10.644","0.0005","10.723","0.0005","16.145","0.0009","92.596","0.004","103.076","0.004","96.167","0.004","1779.94","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H42 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.15","0.0663","","","0.1415","0.1603","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206840","7.275","0.0008","7.5246","0.0006","13.636","0.0013","100.54","0.001","99.328","0.001","108.548","0.002","676.03","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0628","0.0395","","","0.0965","0.1143","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206841","7.3001","0.001","9.2759","0.0012","11.6302","0.0015","83.155","0.001","87.769","0.002","88.654","0.002","781.19","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cd Cl2 N5 O3 -","- C12 H11 Cd Cl2 N5 O3 -","- C24 H22 Cd2 Cl4 N10 O6 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0349","0.0265","","","0.0579","0.0641","","","","","","1.064","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206842","11.9014","0.0012","11.9685","0.0013","15.4255","0.0016","90.413","0.001","93.298","0.001","108.853","0.002","2075.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 Hg N6 O4 -","- C15 H18 Cl2 Hg N6 O4 -","- C60 H72 Cl8 Hg4 N24 O16 -","4","2","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1549","0.0945","","","0.236","0.273","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206843","7.5944","0.0008","12.6407","0.0013","16.4624","0.0016","90","","93.97","0.001","90","","1576.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N5 O3 Zn -","- C12 H11 Cl2 N5 O3 Zn -","- C48 H44 Cl8 N20 O12 Zn4 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0633","0.0368","","","0.0767","0.085","","","","","","0.944","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206844","11.8049","0.0012","10.08","0.001","13.9721","0.0015","90","","105.108","0.001","90","","1605.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 K N6 O6 -","- C12 H11 K N6 O6 -","- C48 H44 K4 N24 O24 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1382","0.0629","","","0.1482","0.2036","","","","","","1.029","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206845","11.4997","0.0003","11.122","0.0004","22.5876","0.0006","90","","91.285","0.002","90","","2888.22","0.15","193","2","193","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1025","0.0505","","","0.1167","0.1377","","","","","","1.033","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206846","22.9274","0.0008","21.1264","0.0008","23.173","0.0009","90","","90.436","0.002","90","","11224.1","0.7","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C544 H416 N64 Ni16 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.2078","0.0562","","","0.0949","0.123","","","","","","0.745","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206847","11.532","0.0013","11.0426","0.001","22.891","0.003","90","","90.073","0.004","90","","2915","0.6","193","2","193","2","","","","","","","synthesis as described","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O4 Zn -","- C34 H26 N4 O4 Zn -","- C136 H104 N16 O16 Zn4 -","4","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1044","0.0486","","","0.0962","0.1161","","","","","","1.006","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206848","23.0164","0.0006","20.789","0.0006","23.3891","0.0007","90","","90.592","0.002","90","","11190.8","0.5","180","2","180","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cu N4 O4 -","- C34 H26 Cu N4 O4 -","- C544 H416 Cu16 N64 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.123","0.0481","","","0.108","0.125","","","","","","0.878","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206849","5.6828","0.0003","7.6675","0.0004","16.4091","0.0009","96.408","0.004","95.194","0.004","95.251","0.004","703.87","0.07","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.114","0.0652","","","0.1495","0.1763","","","","","","1.026","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206850","10.4417","0.0003","7.8434","0.0003","12.2703","0.0004","90","","111.164","0.001","90","","937.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N O6 U -","- C7 H4 N O6 U -","- C28 H16 N4 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0278","0.0213","","","0.0512","0.054","","","","","","1.044","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206851","8.4634","0.0003","13.0284","0.0005","11.8917","0.0006","90","","96.821","0.001","90","","1301.95","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 N2 O6 U -","- C12 H8 N2 O6 U -","- C48 H32 N8 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0433","0.0341","","","0.0721","0.0754","","","","","","1.088","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206852","6.289","0.0017","7.949","0.002","8.347","0.002","79.554","0.004","87.819","0.004","79.199","0.004","403.09","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 N O5 U -","- C6 H4 N O5 U -","- C12 H8 N2 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0307","0.0276","","","0.0596","0.0603","","","","","","1.152","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206853","9.1584","0.0009","9.666","0.0009","11.1105","0.0011","90","","103.353","0.002","90","","956.97","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N2 O7 U -","- C6 H5 N2 O7 U -","- C24 H20 N8 O28 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0229","0.0207","","","0.0482","0.049","","","","","","1.076","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206854","13.5463","0.0015","6.6022","0.0007","8.3418","0.0009","90","","90","","90","","746.05","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H3 N2 O5 U -","- C5 H3 N2 O5 U -","- C20 H12 N8 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0176","0.0142","","","0.028","0.0289","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206855","6.2323","0.0012","6.779","0.0013","10.594","0.002","104.12","0.003","93.875","0.003","91.976","0.003","432.47","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 U -","- C5 H3 N2 O6 U -","- C10 H6 N4 O12 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0457","0.0367","","","0.0861","0.0896","","","","","","1.035","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206856","7.1576","0.0005","29.301","0.003","7.6537","0.0007","90","","91.699","0.004","90","","1604.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-hydroxynaphthalene-8-carbaldehyde cpd 15","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.106","0.095","","","0.2343","0.2426","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206857","14.0278","0.0003","7.9798","0.0002","15.6964","0.0004","90","","96.197","0.002","90","","1746.77","0.07","120","2","120","2","","","","","","","","3","P 1 a 1","P -2ya","7","","1,4-Di(methoxy)triptycene-9,10-dicarbaldehyde cpd 20","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.104","0.0616","","","0.1128","0.1326","","","","","","1.087","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206858","9.0118","0.0003","9.6549","0.0004","11.6967","0.0005","80.718","0.003","87.782","0.003","65.542","0.002","913.81","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde acetonitrile solvate cpd 10.CH3CN","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.0845","0.0554","","","0.1316","0.1468","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206859","9.3754","0.0007","9.6285","0.0007","11.447","0.0009","69.585","0.004","69.8","0.004","77.586","0.004","903.6","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde ethyl acetate solvate cpd 19.0.75ethyl acetate","","- C25 H20 O5.5 -","- C22 H14 O4 -","- C44 H28 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.1319","0.0697","","","0.184","0.2062","","","","","","0.961","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206860","21.837","0.002","9.2974","0.001","19.231","0.002","90","","100.008","0.003","90","","3845","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-Bis(1',3'-dioxolan-2'-yl)-1,4,4a,9a-tetrahydroanthracen-1,4-dione cpd 22","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.058","0.0426","","","0.1058","0.1149","","","","","","1.022","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206861","8.875","0.005","11.139","0.005","14.195","0.005","104.562","0.005","91.046","0.005","106.311","0.005","1297.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","1","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71069","MoKα","","0.0572","0.0395","","","0.0713","0.078","","","","","","1.012","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206862","11.7854","0.0006","15.6884","0.0008","19.6861","0.0011","90","","96.816","0.005","90","","3614.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Co Mo4 N10 O14 -","- C25 H35 Co Mo4 N10 O14 -","- C100 H140 Co4 Mo16 N40 O56 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71073","MoKα","","0.0828","0.0493","","","0.0895","0.1087","","","","","","1.067","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206863","12.891","0.004","13.631","0.004","19.268","0.006","90","","102.985","0.004","90","","3299.1","1.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cu2 N10 O48 Si W12 -","- C36 H26 Cu2 N10 O48 Si W12 -","- C72 H52 Cu4 N20 O96 Si2 W24 -","2","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.0968","0.0439","","","0.0558","0.0627","","","","","","0.787","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206864","11.861","0.004","13.626","0.004","17.618","0.006","106.194","0.005","97.216","0.005","91.492","0.005","2707.2","1.5","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1578","0.0612","","","0.1248","0.1432","","","","","","0.768","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206865","12.129","0.004","13.776","0.005","14.004","0.005","118.696","0.004","96.783","0.004","104.497","0.004","1907.3","1.2","293","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1132","0.103","","","0.2442","0.2477","","","","","","1.328","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206866","17.837","0.005","17.837","0.005","81.03","0.05","90","","90","","120","","22326","16","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 N18 O44 Zn8 -","- C144 H126 N18 O44 Zn8 -","- C864 H756 N108 O264 Zn48 -","6","0.166667","","Rajput, Lalit; Hong, Seunghee; Liu, Xinfang; Oh, Minhak; Kim, Dongwook; Lah, Myoung Soo","An unprecedented twofold interpenetrated layered metal‒organic framework with a MoS2-H topology","CrystEngComm","2011","13","23","6926","","10.1039/c1ce06038d","","","0.71073","MoKα","","0.1608","0.1257","","","0.2593","0.2772","","","","","","1.189","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206867","5.0838","0.0004","17.9622","0.0015","10.4409","0.0007","90","","98.445","0.003","90","","943.09","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chloro-aspirin (form II)","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0388","0.0311","","","0.0817","0.0862","","","","","","1.046","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206868","5.094","0.0002","17.8642","0.0007","10.6736","0.0004","90","","98.935","0.002","90","","959.51","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-bromo-aspirin (form II)","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0242","0.0203","","","0.0498","0.0516","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206869","10.5412","0.0007","12.453","0.0008","13.5129","0.001","90","","90","","90","","1773.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Cl-aspirin anhydride (form I)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0398","0.0299","","","0.0611","0.0647","","","","","","1.013","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206870","10.7838","0.0003","14.2206","0.0004","12.3774","0.0004","90","","107.635","0.003","90","","1808.9","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cl-aspirin anhydride (form II)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0564","0.0396","","","0.0899","0.1019","","","","","","1.033","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206871","10.5579","0.0005","12.5176","0.0007","13.7487","0.0008","90","","90","","90","","1817.02","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Br-aspirin anhydride (form I)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0206","0.0181","","","0.0387","0.0391","","","","","","0.985","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206872","16.9944","0.0007","7.9432","0.0004","14.033","0.0007","90","","105.825","0.002","90","","1822.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Br-aspirin anhydride (form II)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0346","0.0228","","","0.0466","0.0495","","","","","","1.014","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206873","9.9176","0.0009","9.9757","0.001","11.5419","0.0017","95.485","0.007","109.352","0.007","117.882","0.004","908.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-Me-aspirin anhydride (form I)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C40 H36 O14 -","2","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.093","0.0454","","","0.095","0.1132","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206874","20.749","0.002","8.3818","0.0008","10.6736","0.001","90","","97.44","0.005","90","","1840.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Me-aspirin anhydride (form II)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0855","0.0401","","","0.0766","0.0855","","","","","","0.904","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206875","8.096","0.0002","9.838","0.0002","15.262","0.0005","90","","103.069","0.0009","90","","1184.11","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C44 H52 N12 O4 S4 -","4","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.0634","0.0473","","","0.1244","0.1346","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206876","10.198","0.0008","8.731","0.0012","17.664","0.002","90","","90","","90","","1572.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.1859","0.0773","","","0.1358","0.1672","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206877","4.8314","0.0002","15.4009","0.0006","15.6421","0.0005","90","","90","","90","","1163.9","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Stöger, Berthold; Hametner, Christian; Kubel, Frank; Reider, Georg; Hagemann, Hans; Karpfen, Alfred; Fröhlich, Johannes","Modified ene‒yne compounds: a novel functional material with nonlinear optical properties","CrystEngComm","2011","13","24","7194","","10.1039/c1ce06093g","","","0.71073","MoKα","","0.0429","0.0295","","","0.0293","0.0301","","","","1.43","1.43","1.25","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206878","6.316","0.002","6.316","0.002","16.446","0.006","90","","90","","90","","656.1","0.4","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- B H3 O10 P2 Ti -","- B H3 O10 P2 Ti -","- B4 H12 O40 P8 Ti4 -","4","0.125","","Shi, Hengzhen; Feng, Yuquan; Huang, Qunzeng; Qiu, Dongfang; Li, Min; Liu, Kecheng","Ti[BP2O7(OH)3]: The first titanium borophosphate containing novel anionic partial structure","CrystEngComm","2011","13","24","7185","","10.1039/c1ce06233f","","","0.71073","MoKα","","0.0776","0.0694","","","0.1906","0.1955","","","","","","1.176","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206879","11.0819","0.0006","7.9976","0.0004","9.985","0.0005","90","","94.048","0.001","90","","882.75","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C36 H36 N12 O6 -","6","3","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0385","0.0352","","","0.0918","0.094","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206880","5.1923","0.0011","9.466","0.003","12.259","0.003","90","","91.217","0.007","90","","602.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0548","0.0373","","","0.092","0.1005","","","","","","1.353","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206893","30.7287","0.0012","30.7287","0.0012","23.757","0.0012","90","","90","","120","","19427.2","1.5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C240 H264 Br24 O24 S24 -","- C240 H264 Br24 O24 S24 -","- C720 H792 Br72 O72 S72 -","3","0.0833333","","Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko; Ito, Shin-ichi; Akiba, Uichi","Channel structure for guest inclusion based on hexameric assembly of thiacalix[4]arene analogue","CrystEngComm","2011","13","23","6920","","10.1039/c1ce05813d","","","0.71075","MoKα","","0.0501","0.0377","","","0.0811","0.0862","","","","","","1.071","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206894","40.284","0.006","40.284","0.006","17.66","0.003","90","","90","","90","","28659","8","173","2","173","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C102 H84 Cu3 N2 O21 -","- C103 H84.2404 Cu3 N2 O21 -","- C824.002 H673.923 Cu24 N16 O168 -","8","0.5","","Yu, Jin-Tao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","A novel 1D independent metal‒organic nanotube based on cyclotriveratrylene ligand","CrystEngComm","2012","14","1","112","","10.1039/c1ce05316g","","","0.71073","MoKα","","0.1259","0.1006","","","0.2562","0.2742","","","","","","1.137","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206895","12.9833","0.0007","25.7855","0.0014","30.5266","0.0017","90","","90","","90","","10219.7","1","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 Co N4 O6 -","- C25 H24 Co N4 O6 -","- C400 H384 Co16 N64 O96 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0854","0.0529","","","0.1387","0.1591","","","","","","1.029","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206896","12.96","0.001","25.619","0.002","30.85","0.002","90","","90","","90","","10242.9","1.3","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 N4 O6 Zn -","- C25 H24 N4 O6 Zn -","- C400 H384 N64 O96 Zn16 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0543","0.0406","","","0.1112","0.121","","","","","","1.065","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206897","9.6988","0.0006","15.9616","0.001","15.1735","0.0009","90","","98.865","0.002","90","","2320.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cd N4 O5 -","- C25 H24 Cd N4 O5 -","- C100 H96 Cd4 N16 O20 -","4","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0497","0.0322","","","0.069","0.0749","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206898","9.6221","0.0002","9.6221","0.0002","48.4414","0.0013","90","","90","","120","","3884.07","0.15","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 Co N4 O5 -","- C25 H24 Co N4 O5 -","- C150 H144 Co6 N24 O30 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0441","0.0371","","","0.0849","0.0874","","","","","","1.066","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206899","12.8829","0.0005","14.1565","0.0006","18.6819","0.0007","104.822","0.002","98.409","0.002","113.367","0.001","2903.5","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H67 Cu2 N9 O15 -","- C54 H67 Cu2 N9 O15 -","- C108 H134 Cu4 N18 O30 -","2","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.1077","0.0579","","","0.121","0.1421","","","","","","1.042","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206900","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206901","9.6491","0.0002","9.6491","0.0002","48.258","0.002","90","","90","","120","","3891.1","0.2","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C150 H144 N24 O30 Zn6 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0627","0.0604","","","0.1501","0.1511","","","","","","1.198","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206902","24.573","0.005","9.3013","0.0017","21.788","0.004","90","","110.754","0.007","90","","4656.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Cu N4 O4 -","- C25 H24 Cu N4 O4 -","- C200 H192 Cu8 N32 O32 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0632","0.0393","","","0.097","0.1067","","","","","","1.044","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206903","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206904","7.5104","0.0007","11.904","0.001","29.32","0.003","90","","96.942","0.001","90","","2602.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C64 H40 Br32 O16 Ru8 -","8","2","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0597","0.0418","","","0.0901","0.0999","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206905","6.767","0.002","7.475","0.002","13.172","0.004","85.299","0.004","89.063","0.004","72.03","0.004","631.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C16 H10 Br8 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0652","0.0557","","","0.1466","0.1559","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206906","6.6793","0.001","10.676","0.002","12.15","0.002","90","","99.859","0.003","90","","853.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Ru -","- C7 H5 Cl O2 Ru -","- C28 H20 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0267","0.0242","","","0.0621","0.065","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206907","6.5729","0.0012","10.455","0.002","12.066","0.002","90","","98.71","0.002","90","","819.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Os -","- C7 H5 Cl O2 Os -","- C28 H20 Cl4 O8 Os4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0288","0.0247","","","0.0722","0.0737","","","","","","1.195","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206908","6.7919","0.0008","7.8225","0.001","12.819","0.002","84.5","0.003","87.327","0.003","72.547","0.003","646.61","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C24 H30 Cl2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0394","0.0295","","","0.0738","0.0772","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206909","12.0242","0.001","7.9991","0.0007","14.1805","0.0012","90","","106.583","0.002","90","","1307.19","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C48 H60 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0457","0.0288","","","0.0688","0.0726","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206910","8.4488","0.0013","9.9193","0.0015","11.619","0.002","90","","107.559","0.002","90","","928.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Cl O2 Ru -","- C8 H7 Cl O2 Ru -","- C32 H28 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0208","0.0187","","","0.0468","0.0476","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206911","6.1076","0.0011","6.8545","0.0012","11.658","0.002","80.201","0.002","82.342","0.003","79.028","0.002","469.57","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Br O2 Ru -","- C8 H7 Br O2 Ru -","- C16 H14 Br2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0237","0.0212","","","0.0548","0.0558","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206912","6.9642","0.0013","7.4745","0.0014","10.068","0.002","92.968","0.003","95.936","0.003","108.783","0.003","491.49","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 I O2 Ru -","- C8 H7 I O2 Ru -","- C16 H14 I2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0325","0.0303","","","0.0811","0.0827","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206913","11.2187","0.0018","4.7411","0.0007","21.685","0.003","90","","93.91","0.002","90","","1150.7","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-bromophenyl) benzamide","2-fluoro-N-(2-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0406","0.0314","","","0.0701","0.0725","","","","","","1.055","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206914","26.081","0.003","5.2349","0.0007","17.549","0.002","90","","103.716","0.002","90","","2327.7","0.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-bromophenyl) benzamide","3-fluoro-N-(4-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C104 H72 Br8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.048","0.0341","","","0.0769","0.0846","","","","","","1.027","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206915","5.0904","0.0011","10.696","0.002","12.054","0.003","113.637","0.003","97.827","0.003","93.133","0.003","591.3","0.2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","2-bromo-N-(3-fluoro)benzamide","2-bromo-N-(3-fluoro)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C26 H18 Br2 F2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0385","0.0295","","","0.0653","0.0687","","","","","","1.05","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206916","4.3711","0.0004","5.1917","0.0005","50.481","0.005","90","","90","","90","","1145.59","0.19","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-bromo-N-(3-fluorophenyl)benzamide","3-bromo-N-(3-fluorophenyl)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.042","0.0343","","","0.0673","0.0691","","","","","","1.14","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206917","11.0184","0.0016","4.7429","0.0007","21.677","0.003","90","","94.101","0.002","90","","1129.9","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-chlorophenyl)benzamide","2-fluoro-N-(2-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0531","0.041","","","0.0985","0.1036","","","","","","1.063","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206918","25.6859","0.0006","5.2425","0.0001","17.3988","0.0004","90","","104.252","0.001","90","","2270.78","0.09","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-chlorophenyl)benzamide","3-fluoro-N-(4-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0593","0.0403","","","0.1248","0.1529","","","","","","1.124","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206919","13.6468","0.0003","12.3384","0.0003","13.7313","0.0003","90","","90.686","0.002","90","","2311.91","0.09","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-chloro-N-(3-flourophenyl)benzamide","2-chloro-N-(3-flourophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","2","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0696","0.0449","","","0.1227","0.1286","","","","","","1.083","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206920","5.1012","0.0003","11.0188","0.0007","12.441","0.0008","64.411","0.003","79.243","0.003","87.18","0.003","619.23","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","2-iodo-N-(3-fluorophenyl)benzamide","2-iodo-N-(3-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C26 H18 F2 I2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0295","0.0253","","","0.0544","0.0561","","","","","","1.041","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206921","11.5468","0.0011","4.7669","0.0005","21.94","0.002","90","","92.302","0.005","90","","1206.7","0.2","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-iodophenyl)benzamide","2-fluoro-N-(2-iodophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0304","0.0235","","","0.0471","0.0491","","","","","","1.043","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206922","9.0447","0.0002","14.1185","0.0003","9.9862","0.0003","90","","90","","90","","1275.21","0.05","292","2","292","2","","","","","","","","6","P n a 21","P 2c -2n","33","2-iodo-N-(2-fluorophenyl)benzamide","2-iodo-N-(2-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0441","0.0339","","","0.0688","0.0711","","","","","","1.006","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206923","25.444","0.002","8.0222","0.0007","13.4912","0.0012","90","","106.518","0.001","90","","2640.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cl8 N2 O8 -","- C52 H50 Cl8 N2 O8 -","- C104 H100 Cl16 N4 O16 -","2","0.5","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0739","0.0657","","","0.1713","0.1802","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206924","4.8955","0.0005","12.3245","0.0012","14.503","0.0014","90","","94.27","0.002","90","","872.6","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl2 O2 -","- C8 H6 Cl2 O2 -","- C32 H24 Cl8 O8 -","4","1","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0542","0.0477","","","0.1307","0.1362","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206925","19.03","0.008","5.555","0.0015","25.191","0.009","90","","110.33","0.03","90","","2497.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.2039","0.1322","","","0.295","0.3415","","","","","","1.064","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206926","9.2681","0.0009","12.4755","0.0016","16.074","0.003","73.308","0.012","82.774","0.014","75.228","0.009","1718.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl2 N4 O4 -","- C40 H32 Cl2 N4 O4 -","- C80 H64 Cl4 N8 O8 -","2","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.0814","0.049","","","0.1096","0.1244","","","","","","1.03","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206927","19.0685","0.0015","5.5501","0.0005","25.148","0.002","90","","110.116","0.002","90","","2499.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.1034","0.0591","","","0.1552","0.1895","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206928","7.855","0.0013","17.546","0.003","18.586","0.003","90","","111.626","0.006","90","","2381.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 I N6 O8 Zn -","- C16 H23 I N6 O8 Zn -","- C64 H92 I4 N24 O32 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0697","0.0445","","","0.1264","0.1465","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206929","8.5844","0.0009","22.107","0.002","10.2952","0.0011","90","","102.313","0.001","90","","1908.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I N6 O4 Zn -","- C16 H15 I N6 O4 Zn -","- C64 H60 I4 N24 O16 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.041","0.0313","","","0.0791","0.085","","","","","","1.069","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206930","10.1291","0.001","16.9901","0.0017","12.3894","0.0012","90","","107.66","0.001","90","","2031.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 I N6 O6 Zn -","- C15 H17 I N6 O6 Zn -","- C60 H68 I4 N24 O24 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0762","0.0446","","","0.1","0.1161","","","","","","1.018","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206931","9.4462","0.0004","10.6899","0.0004","10.917","0.0004","103.25","0.002","98.612","0.002","102.932","0.002","1022.07","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","1","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0387","0.0295","","","0.0792","0.0859","","","","","","1.011","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206932","22.0808","0.0015","9.7061","0.0005","24.3647","0.0015","90","","109.045","0.008","90","","4936","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H62 Co2 N8 O46 V10 -","- C12 H62 Co2 N8 O46 V10 -","- C48 H248 Co8 N32 O184 V40 -","4","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.075","0.049","","","0.1322","0.15","","","","","","1.012","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206933","12.0418","0.0003","15.7976","0.0003","11.0989","0.0003","90","","107.98","0.001","90","","2008.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 N8 O34 V10 -","- C14 H42 N8 O34 V10 -","- C28 H84 N16 O68 V20 -","2","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0469","0.0352","","","0.0932","0.1004","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206934","5.2586","0.0002","8.916","0.0003","13.8165","0.0005","90","","90.5","0.002","90","","647.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C28 H20 Cl4 N8 -","4","1","","Hazra, Dipak K.; Mukherjee, Alok K.; Helliwell, Madeleine; Mukherjee, Monika","Topological features and electronic structure of 4-chloro-1H-pyrrolo[2,3-b]pyridine: experimental charge density analysis and DFT studies","CrystEngComm","2012","14","3","993","","10.1039/c1ce05615h","","","0.71073","MoKα","","0.0617","0.0543","","","0.1268","0.1297","","","","","","1.273","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206935","7.5975","0.0005","12.2026","0.0007","12.8137","0.0008","61.607","0.006","77.247","0.005","78.353","0.005","1012.74","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","2","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.1382","0.0479","","","0.0782","0.0902","","","","","","0.81","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206936","9.3329","0.0002","12.7049","0.0003","9.1195","0.0002","90","","98.085","0.002","90","","1070.58","0.04","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C48 H44 N8 O8 -","2","0.5","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.0558","0.0464","","","0.1216","0.1294","","","","","","1.032","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206937","27.84","0.006","21.605","0.004","20.145","0.004","90","","90","","90","","12117","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 Cu6 N20 O39 P W11 -","- C100 H80 Cu6 N20 O39 P W11 -","- C400 H320 Cu24 N80 O156 P4 W44 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1737","0.0694","","","0.1665","0.2347","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206938","28.117","0.002","21.4312","0.0016","19.6445","0.0014","90","","90","","90","","11837.4","1.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 B Cu5 N20 O40 W12 -","- C100 H80 B Cu5 N20 O40 W12 -","- C400 H320 B4 Cu20 N80 O160 W48 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.0857","0.0453","","","0.1025","0.134","","","","","","0.999","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206939","12.506","0.003","14.025","0.003","31.972","0.006","78.45","0.03","82.58","0.03","87.87","0.03","5448","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H72 B Cu5 N16 O44 W12 -","- C96 H64 B Cu5 N16 O44 W12 -","- C192 H128 B2 Cu10 N32 O88 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.095","0.0645","","","0.1694","0.1989","","","","","","1.041","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206940","13.4495","0.0019","13.716","0.002","28.536","0.004","82.489","0.012","79.829","0.009","79.841","0.012","5073.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 Si W12 -","- C80 H64 Cu4 N16 O40 Si W12 -","- C160 H128 Cu8 N32 O80 Si2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.108","0.0501","","","0.1149","0.145","","","","","","1.023","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206941","13.297","0.003","13.673","0.003","28.4","0.006","82.43","0.03","80.66","0.03","79.91","0.03","4988","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 P W12 -","- C80 H64 Cu4 N16 O40 P W12 -","- C160 H128 Cu8 N32 O80 P2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1066","0.0633","","","0.1445","0.1711","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206942","13.0132","0.0008","4.8558","0.0003","16.371","0.001","90","","109.235","0.003","90","","976.73","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0288","0.0263","","","0.0683","0.0795","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206943","17.264","0.002","4.7225","0.0007","11.9008","0.0017","90","","90.091","0.002","90","","970.3","0.2","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1001","0.0768","","","0.2048","0.2257","","","","","","1.017","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206944","4.8768","0.0002","7.2147","0.0003","28.5203","0.0011","90","","90","","90","","1003.48","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0294","0.0288","","","0.0764","0.0771","","","","","","1.047","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206945","12.513","0.001","4.9317","0.0005","16.282","0.001","90","","97.159","0.006","90","","996.94","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1314","0.047","","","0.0842","0.1076","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206946","12.3381","0.001","4.7318","0.0003","32.877","0.003","90","","90","","90","","1919.4","0.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.0753","0.0568","","","0.1447","0.1581","","","","","","1.038","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206947","11.953","0.0007","7.2717","0.0003","17.7746","0.0008","90","","104.482","0.005","90","","1495.86","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O8 Zn -","- C16 H12 O8 Zn -","- C64 H48 O32 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0542","0.0335","","","0.0698","0.0728","","","","","","0.902","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206948","9.955","0.005","10.55","0.004","14.073","0.003","88.346","0.002","69.302","0.003","64.514","0.005","1234.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N2 O8.5 Zn -","- C28 H21 N2 O8.5 Zn -","- C56 H42 N4 O17 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71069","MoKα","","0.0366","0.0279","","","0.0745","0.0764","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206949","8.659","0.0003","9.9594","0.0004","12.8686","0.0006","94.713","0.004","101.475","0.003","92.54","0.003","1081.82","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N6 O7 Zn -","- C22 H18 N6 O7 Zn -","- C44 H36 N12 O14 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0654","0.043","","","0.1022","0.1064","","","","","","0.925","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206950","11.8109","0.0006","13.7859","0.0005","16.9387","0.0006","67.887","0.004","87.405","0.004","71.034","0.004","2407.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 N12 O16 Zn2 -","- C46 H44 N12 O16 Zn2 -","- C92 H88 N24 O32 Zn4 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.079","0.0398","","","0.0842","0.0892","","","","","","0.834","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206951","15.124","0.0007","13.8252","0.0005","9.5104","0.0004","90","","102.674","0.004","90","","1940.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","1","0.25","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0481","0.0285","","","0.0563","0.0584","","","","","","0.854","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206952","14.978","0.0005","32.6149","0.0011","6.3668","0.0002","90","","90","","90","","3110.22","0.18","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H26 N6 O7 Zn -","- C34 H26 N6 O7 Zn -","- C136 H104 N24 O28 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.083","0.0336","","","0.0315","0.0343","","","","","","0.748","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206953","6.8167","0.0004","10.8308","0.0005","12.0167","0.0007","86.596","0.004","83.997","0.005","73.499","0.004","845.58","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","1","0.5","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0401","0.0281","","","0.0637","0.0654","","","","","","0.924","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206954","16.3292","0.0004","16.3292","0.0004","19.9708","0.0006","90","","90","","90","","5325.1","0.2","293","2","293","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Cd3 N16 O8 -","- C64 H40 Cd3 N16 O8 -","- C256 H160 Cd12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1186","0.0346","","","0.0276","0.0308","","","","","","0.887","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206955","16.172","0.005","16.172","0.005","19.553","0.005","90","0.005","90","0.005","90","0.005","5114","3","150","2","150","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Fe3 N16 O8 -","- C64 H40 Fe3 N16 O8 -","- C256 H160 Fe12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1152","0.0539","","","0.1418","0.1598","","","","","","0.807","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206956","18.046","0.004","14.024","0.003","13.553","0.003","90","","90.2","0.03","90","","3429.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Fe3 N8 O9 -","- C36 H24 Fe3 N8 O9 -","- C144 H96 Fe12 N32 O36 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1396","0.1036","","","0.2898","0.3076","","","","","","1.075","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206957","6.8088","0.0003","7.4891","0.0004","14.8396","0.0008","90","","100.854","0.005","90","","743.16","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.086","0.0412","","","0.1199","0.1337","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206958","9.2834","0.0007","8.5265","0.0005","9.8621","0.0007","90","","93.062","0.006","90","","779.52","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1235","0.0394","","","0.0528","0.0633","","","","","","0.89","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206959","10.3618","0.0007","6.6849","0.0005","14.6052","0.0011","90","","107.353","0.007","90","","965.62","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Br2 O2 -","- C9 H6 Br2 O2 -","- C36 H24 Br8 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1657","0.071","","","0.2302","0.2735","","","","","","0.873","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206960","7.3655","0.0005","11.7786","0.0009","5.5546","0.0004","90","","90","","90","","481.89","0.06","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.0544","0.031","","","0.0667","0.0727","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206961","9.7848","0.0001","14.8435","0.0001","8.4224","0.0001","90","","96.749","0.001","90","","1214.8","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C36 H32 Eu4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0241","0.0205","","","0.0467","0.0482","","","","","","1.06","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206962","9.7677","0.0002","14.8211","0.0003","8.4033","0.0002","90","","96.421","0.001","90","","1208.9","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O8 -","- C9 H8 Gd N O8 -","- C36 H32 Gd4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0254","0.0209","","","0.0463","0.0482","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206963","9.9138","0.0001","14.9969","0.0002","8.5545","0.0001","90","","98.582","0.001","90","","1257.61","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 La N O8 -","- C9 H8 La N O8 -","- C36 H32 La4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0294","0.0247","","","0.0563","0.0586","","","","","","1.052","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206964","9.7567","0.0001","14.7443","0.0002","8.3919","0.0001","90","","96.679","0.001","90","","1199.03","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N O8 Tb -","- C9 H8 N O8 Tb -","- C36 H32 N4 O32 Tb4 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0273","0.0224","","","0.0503","0.0525","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206965","11.3769","0.0005","8.3198","0.0004","21.4511","0.001","90","","98.021","0.003","90","","2010.56","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23.5 O10.5 -","- C19 H23.5 O10.5 -","- C76 H94 O42 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.083","0.0588","","","0.1606","0.1808","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206966","11.0883","0.0005","8.5689","0.0003","21.5332","0.0009","90","","93.104","0.001","90","","2042.97","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 O10 -","- C20 H23 O10 -","- C80 H92 O40 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0393","0.0355","","","0.0953","0.1003","","","","","","1.046","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206967","7.255","0.0002","9.2807","0.0003","13.0344","0.0004","77.359","0.001","78.816","0.001","88.811","0.001","839.87","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O10 -","- C16 H18 O10 -","- C32 H36 O20 -","2","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0355","0.0329","","","0.0859","0.0888","","","","","","1.046","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206968","10.8013","0.0003","17.556","0.0005","20.4806","0.0005","69.649","0.002","76.099","0.002","73.507","0.002","3447.92","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H96 Ag F6 O20 P -","- C60.5 H94 Ag F6 O20 P -","- C121 H188 Ag2 F12 O40 P2 -","2","1","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54184","CuKα","","0.0949","0.0623","","","0.1548","0.1762","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206969","21.3724","0.0005","24.3735","0.0004","24.5548","0.0005","112.362","0.0008","106.978","0.0009","105.948","0.0009","10180.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Ag2 F12 O16 P2 -","- C60 H88 Ag2 F12 O16 P2 -","- C360 H528 Ag12 F72 O96 P12 -","6","3","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.1457","0.0996","","","0.2436","0.2758","","","","","","1.045","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206970","15.1333","0.0004","19.3949","0.0005","23.3326","0.0006","90","","90","","90","","6848.3","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0904","0.0533","","","0.1145","0.1316","","","","","","1.036","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206971","14.8806","0.0003","19.7336","0.0004","23.4274","0.0006","90","","90","","90","","6879.4","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0899","0.0558","","","0.1231","0.1422","","","","","","1.02","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206972","5.8602","0.0009","11.1388","0.0017","12.2634","0.0018","77.982","0.002","77.019","0.002","80.274","0.002","756.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.048","0.0369","","","0.075","0.0795","","","","","","1.034","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206973","16.475","0.003","20.866","0.004","12.955","0.002","90","","92.389","0.002","90","","4449.6","1.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H46 Cu2 N4 O13 -","- C44 H46 Cu2 N4 O13 -","- C176 H184 Cu8 N16 O52 -","4","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0562","0.0407","","","0.088","0.0951","","","","","","1.029","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206974","28.262","0.005","9.1619","0.0018","20.511","0.004","90","","90","","90","","5311","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1216","0.0674","","","0.1716","0.2049","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206975","7.57","0.02","10.52","0.03","12.86","0.03","92.6","0.03","100.14","0.03","93.61","0.03","1004","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1165","0.0747","","","0.1748","0.1979","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206976","7.1309","0.0009","11.1104","0.0015","13.2196","0.0017","91.756","0.002","91.702","0.002","92.444","0.002","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.057","0.0412","","","0.0887","0.0935","","","","","","1.049","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206977","10.4471","0.0009","11.3138","0.0009","16.9704","0.0014","87.387","0.001","80.218","0.001","66.141","0.001","1807.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Co2 N3 O9 -","- C38 H36 Co2 N3 O9 -","- C76 H72 Co4 N6 O18 -","2","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0369","0.0293","","","0.0748","0.078","","","","","","1.027","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206978","10.507","0.002","10.643","0.002","23.51","0.005","90","","90","","90","","2629","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cu4 I6 N4 -","- C14 H14 Cu4 I6 N4 -","- C56 H56 Cu16 I24 N16 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0618","0.0523","","","0.1217","0.1349","","","","","","1.003","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206979","14.015","0.003","14.015","0.003","6.6579","0.0013","90","","90","","90","","1307.7","0.5","223","2","223","2","","","","","","","","5","P 42","P 4c","77","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C36 H44 Cu4 I8 N8 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0366","0.0293","","","0.0496","0.0526","","","","","","0.991","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206980","20.19","0.003","20.19","0.003","6.4628","0.0013","90","","90","","90","","2634.5","0.8","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C72 H88 Cu8 I16 N16 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0529","0.0509","","","0.1193","0.1208","","","","","","1.036","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206981","12.472","0.0018","12.472","0.0018","6.7927","0.0014","90","","90","","90","","1056.6","0.3","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C7 H9 Cu I2 N -","- C7 H10 Cu I2 N -","- C28 H40 Cu4 I8 N4 -","4","0.25","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0316","0.0299","","","0.0756","0.0765","","","","","","1.172","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206982","17.911","0.003","17.911","0.003","6.827","0.0014","90","","90","","90","","2190.1","0.7","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H11 Cu I2 N -","- C8 H11 Cu I2 N -","- C64 H88 Cu8 I16 N8 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0435","0.0407","","","0.089","0.0902","","","","","","1.174","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206983","9.2235","0.001","9.83","0.001","10.5498","0.0013","84.376","0.007","65.63","0.006","86.336","0.008","866.81","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O10 U -","- C12 H14 N2 O10 U -","- C24 H28 N4 O20 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0335","0.0282","","","0.0678","0.0693","","","","","","1.026","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206984","9.1796","0.0006","9.9326","0.0006","10.5607","0.0006","88.852","0.004","65.327","0.004","84.468","0.003","870.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N3 O7.5 U -","- C15 H14 N3 O7.5 U -","- C30 H28 N6 O15 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0275","0.0261","","","0.0651","0.0657","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206985","8.9172","0.0006","27.7936","0.0018","10.6743","0.0005","90","","113.777","0.004","90","","2421","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O11 U -","- C24 H16 N4 O11 U -","- C96 H64 N16 O44 U4 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.03","0.0212","","","0.0465","0.0484","","","","","","1.022","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206986","5.5628","0.0003","6.5429","0.0003","13.8049","0.0009","99.877","0.004","91.181","0.004","111.977","0.003","457.06","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O14 U -","- C16 H16 O14 U -","- C16 H16 O14 U -","1","0.5","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0218","0.0206","","","0.0498","0.0499","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206987","13.2312","0.0004","12.9824","0.0007","25.096","0.0013","90","","96.853","0.003","90","","4280","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 O38 U3 -","- C24 H42 O38 U3 -","- C96 H168 O152 U12 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0584","0.0345","","","0.0656","0.0703","","","","","","1.016","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206988","10.963","0.007","7.953","0.004","16.433","0.006","90","","97.92","0.03","90","","1419.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0514","0.0511","","","0.1112","0.1113","","","","","","1.489","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206989","15.027","0.011","5.096","0.003","18.258","0.007","90","","104.15","0.03","90","","1355.7","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0588","0.0519","","","0.1541","0.1593","","","","","","1.105","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206990","71.963","0.014","4.995","0.002","8.096","0.011","90","","92.19","0.08","90","","2908","4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 N5 O6 -","- C28 H43 N5 O6 -","- C112 H172 N20 O24 -","4","0.5","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.259","0.0612","","","0.1866","0.2558","","","","","","0.935","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206991","19.3146","0.0004","8.46572","0.00007","8.94208","0.0001","90","","94.522","0.0012","90","","1457.59","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","suberoylanilide hydroxamic acid","suberoylanilide hydroxamic acid","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","powder diffraction","","1.5418","CuKα","","","","","","","","","2.8322","","","","","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206992","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206993","10.501","0.008","30.32","0.02","18.838","0.014","90","","101.453","0.015","90","","5878","7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H72 O16 S4 -","- C54 H72 O16 S4 -","- C216 H288 O64 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1585","0.1143","","","0.2411","0.2646","","","","","","1.117","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206994","17.0728","0.0015","20.25","0.0018","17.4372","0.0016","90","","103.453","0.002","90","","5863","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 N O14 S4 -","- C53 H64 N O14 S4 -","- C212 H256 N4 O56 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0987","0.0549","","","0.1348","0.1466","","","","","","0.888","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206995","10.3369","0.0008","13.2291","0.001","13.3387","0.0011","85.405","0.001","79.615","0.001","81.554","0.001","1772","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 O14 S4 -","- C34 H32 O14 S4 -","- C68 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0772","0.0562","","","0.133","0.1444","","","","","","0.996","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7206996","10.0799","0.0016","10.1897","0.0017","20.368","0.003","98.999","0.002","90.299","0.002","115.445","0.002","1859.7","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 O14 S4 -","- C35 H32 O14 S4 -","- C70 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0595","0.0424","","","0.0957","0.1073","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206997","7.9311","0.0007","19.6432","0.0017","15.5657","0.0013","90","","90","","90","","2425","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C52 H44 N4 O14 S4 -","- C52 H28 N4 O14 S4 -","- C104 H56 N8 O28 S8 -","2","0.25","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1294","0.1231","","","0.2887","0.2913","","","","","","1.269","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206998","22.541","0.0006","22.541","0.0006","14.6276","0.0005","90","","90","","90","","7432.2","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H20 Cu2 I2 N4 -","- C14 H20 Cu2 I2 N4 -","- C224 H320 Cu32 I32 N64 -","16","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0365","0.0324","","","0.0838","0.0857","","","","","","1.071","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206999","9.171","0.0005","9.8","0.0005","19.7984","0.001","90","","94.348","0.001","90","","1774.28","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl2 Co N8 O12 -","- C26 H44 Cl2 Co N8 O12 -","- C52 H88 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0423","0.0379","","","0.0962","0.0988","","","","","","1.062","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207000","12.4667","0.0006","9.3666","0.0005","14.1959","0.0007","90","","112.62","0.001","90","","1530.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0258","0.0241","","","0.0638","0.0646","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207001","16.6738","0.0008","8.988","0.0004","11.4645","0.0006","90","","106.824","0.001","90","","1644.58","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 Zn -","- C13 H18 Cl2 N4 Zn -","- C52 H72 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0344","0.0289","","","0.0869","0.1067","","","","","","1.226","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207002","11.9395","0.0006","8.8292","0.0005","15.6367","0.0009","90","","96.73","0.001","90","","1637","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 Zn -","- C14 H20 Cl2 N4 Zn -","- C56 H80 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0426","0.0353","","","0.0835","0.0866","","","","","","1.044","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207003","9.1059","0.0007","9.757","0.0007","19.2007","0.0014","90","","101.22","0.002","90","","1673.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Co N8 O12 -","- C24 H40 Cl2 Co N8 O12 -","- C48 H80 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0398","0.0353","","","0.0891","0.0921","","","","","","1.053","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207004","8.9695","0.0005","15.7723","0.0009","12.5159","0.0007","90","","98.588","0.001","90","","1750.77","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 Cu N8 O11 -","- C26.723 H42.892 Cl2 Cu N8 O10.723 -","- C53.446 H85.784 Cl4 Cu2 N16 O21.446 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.046","0.0419","","","0.106","0.1198","","","","","","1.093","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207005","8.9908","0.0013","15.88","0.002","12.7955","0.0018","90","","100.11","0.003","90","","1798.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 Cu N8 O11 -","- C28 H46 Cl2 Cu N8 O11 -","- C56 H92 Cl4 Cu2 N16 O22 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0506","0.047","","","0.1128","0.1158","","","","","","1.041","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207006","8.911","0.008","10.004","0.009","19.252","0.017","90","","101.2","0.02","90","","1684","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Cu N8 O12 -","- C24 H40 Cl2 Cu N8 O12 -","- C48 H80 Cl4 Cu2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.083","0.0659","","","0.173","0.1862","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207007","8.7644","0.0006","15.8088","0.0011","11.4395","0.0008","90","","104.002","0.002","90","","1537.9","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0444","0.0373","","","0.0933","0.0966","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207008","8.7376","0.0014","15.69","0.003","11.0903","0.0017","90","","102.331","0.003","90","","1485.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0265","0.0242","","","0.0608","0.0618","","","","","","1.056","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207009","10.253","0.005","10.665","0.005","10.74","0.005","94.601","0.005","113.788","0.005","110.685","0.005","970.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","1","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0411","0.0297","","","0.082","0.0883","","","","","","1.039","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207010","15.236","0.005","13.873","0.005","15.344","0.005","90","","109.954","0.005","90","","3048.5","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O11 Zn2 -","- C34 H24 N2 O11 Zn2 -","- C136 H96 N8 O44 Zn8 -","4","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0635","0.0418","","","0.1199","0.1355","","","","","","0.902","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207011","26.912","0.005","14.301","0.005","13.659","0.005","90","","98.357","0.005","90","","5201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 O17 Zn2 -","- C54 H40 N4 O17 Zn2 -","- C216 H160 N16 O68 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.1639","0.0695","","","0.1681","0.1941","","","","","","1.02","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207012","8.359","0.005","16.453","0.005","25.367","0.005","90","0.005","94.624","0.005","90","0.005","3477","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O15 Zn2 -","- C36 H24 N2 O15 Zn2 -","- C144 H96 N8 O60 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.072","0.0431","","","0.1003","0.118","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207013","8.536","0.005","11.784","0.005","17.045","0.005","78.081","0.005","78.047","0.005","78.722","0.005","1620.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O15 Zn2 -","- C36 H26 N2 O15 Zn2 -","- C72 H52 N4 O30 Zn4 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0728","0.0463","","","0.1159","0.1281","","","","","","1.037","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207014","10.3966","0.0011","10.3966","0.0011","27.848","0.006","90","","90","","120","","2606.8","0.7","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H60 Cl4 Cu5 N6 O34 -","- C30 H60 Cl4 Cu5 N6 O34 -","- C60 H120 Cl8 Cu10 N12 O68 -","2","0.166667","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0883","0.0657","","","0.1729","0.1847","","","","","","1.168","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207015","12.8299","0.0016","28.962","0.0018","15.5709","0.0011","90","","103.01","0.02","90","","5637.3","1","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H150 Cl6 N12 O75 Zn9 -","- C60 H150 Cl6 N12 O75 Zn9 -","- C120 H300 Cl12 N24 O150 Zn18 -","2","0.25","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0542","0.0443","","","0.1158","0.1204","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207016","9.5334","0.0019","10.12","0.002","12.316","0.002","70.239","0.003","86.463","0.003","70.013","0.003","1048.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","1","0.5","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0792","0.0591","","","0.114","0.1189","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207017","24.083","0.003","8.6672","0.0017","18.565","0.002","90","","119.03","0.03","90","","3388.3","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cd Cl N3 O8 -","- C10 H24 Cd Cl N3 O8 -","- C80 H192 Cd8 Cl8 N24 O64 -","8","1","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.1484","0.0929","","","0.1923","0.2127","","","","","","1.184","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207018","6.793","0.005","19.313","0.005","18.629","0.005","90","0.005","100.286","0.005","90","0.005","2405","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cu N5 O9 -","- C24 H20 Cu N5 O9 -","- C96 H80 Cu4 N20 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.0627","0.039","","","0.0856","0.0936","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207019","10.215","0.005","11.102","0.005","15.493","0.005","90","0.005","91.653","0.005","90","0.005","1756.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu N3 O9 -","- C16 H13 Cu N3 O9 -","- C64 H52 Cu4 N12 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.037","0.0341","","","0.0969","0.0988","","","","","","1.087","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207020","8.516","0.0015","10.2138","0.0019","10.5778","0.0019","108.121","0.002","93.204","0.002","101.663","0.002","849.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cd N3 O7 -","- C16 H11 Cd N3 O7 -","- C32 H22 Cd2 N6 O14 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.041","0.0329","","","0.0741","0.0773","","","","","","1.014","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207021","11.5358","0.0008","8.9425","0.0006","12.825","0.0009","90","","101.533","0.001","90","","1296.3","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cd N5 O10 -","- C24 H22 Cd N5 O10 -","- C48 H44 Cd2 N10 O20 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.0187","0.0183","","","0.0531","0.0536","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207022","24.252","0.003","8.9154","0.0011","14.8686","0.0018","90","","109.953","0.001","90","","3021.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N6 O3 -","- C13 H10 Cd N6 O3 -","- C104 H80 Cd8 N48 O24 -","8","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0552","0.0433","","","0.1221","0.132","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207023","23.742","0.005","8.9651","0.0018","16.641","0.003","90","","108.13","0.03","90","","3366.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24.48 Cd2 N20 O2.24 -","- C26 H24.48 Cd2 N20 O2.24 -","- C104 H97.92 Cd8 N80 O8.96 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0659","0.059","","","0.1563","0.1672","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207024","22.854","0.005","8.9005","0.0019","15.976","0.003","90","","108.176","0.002","90","","3087.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N20 O3 Zn2 -","- C26 H26 N20 O3 Zn2 -","- C104 H104 N80 O12 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0352","0.0282","","","0.0692","0.0728","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207025","13.78","0.002","7.6575","0.0013","10.3601","0.0018","90","","101.124","0.002","90","","1072.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cd N9 -","- C8 H6 Cd N9 -","- C32 H24 Cd4 N36 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0289","0.027","","","0.0672","0.0682","","","","","","1.136","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207026","16.896","0.003","16.987","0.003","9.7748","0.0019","90","","119.087","0.002","90","","2451.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N10 O7 Zn2 -","- C16 H20 N10 O7 Zn2 -","- C64 H80 N40 O28 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0454","0.0371","","","0.1105","0.1151","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207027","14.078","0.003","9.3366","0.0017","22.029","0.004","90","","100.811","0.003","90","","2844.1","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Mn2 N20 -","- C26 H20 Mn2 N20 -","- C104 H80 Mn8 N80 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.1031","0.0493","","","0.1022","0.1214","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207028","6.4347","0.0006","6.917","0.0007","7.7596","0.0006","90.268","0.004","107.581","0.004","108.201","0.003","310.89","0.05","167","2","167","2","","","","","","","","5","P -1","-P 1","2","Trans-diaqua-bis(ethylenediamine-N, N')-copper(ii) oxalate","Trans-diaqua-bis(ethylenediamine-N, N')-copper(II) oxalate","","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","1","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.046","0.0414","","","0.0951","0.0982","","","","","","1.081","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207029","9.8795","0.0009","9.6336","0.0009","14.4612","0.0015","90","","91.718","0.005","90","","1375.7","0.2","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(ethylenediamine-N,N')-copper(ii) oxalate","tris(ethylenediamine-N,N')-copper(II) oxalate","","- C8 H24 Cu N6 O4 -","- C8 H24 Cu N6 O4 -","- C32 H96 Cu4 N24 O16 -","4","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1153","0.0628","","","0.1265","0.143","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207030","7.4525","0.0019","8.971","0.002","13.349","0.004","71.49","0.02","89.61","0.02","82.827","0.018","839.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.61 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.61 H2O","","- C9 H27.61 Co N6 O7.805 -","- C9 H24 Co N6 O7.804 -","- C18 H48 Co2 N12 O15.608 -","2","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.0896","0.0789","","","0.2028","0.2147","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207031","28.964","0.002","10.3615","0.0005","12.7579","0.0008","90","","114.446","0.002","90","","3485.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.5 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.5 H2O","","- C18 H62 Co2 N12 O19 -","- C18 H48 Co2 N12 O19 -","- C72 H192 Co8 N48 O76 -","4","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1132","0.0641","","","0.1532","0.1759","","","","","","1.052","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207032","11.805","0.002","24.903","0.005","9.881","0.002","90","","103.12","0.03","90","","2829","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 In N2 O6 -","- C33 H20 In N2 O6 -","- C132 H80 In4 N8 O24 -","4","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0729","0.0405","","","0.0783","0.0887","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207033","5.9716","0.0012","28.516","0.006","7.5076","0.0015","90","","90","","90","","1278.4","0.5","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H11 In O6 -","- C14 H11 In O6 -","- C56 H44 In4 O24 -","4","0.5","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0394","0.0366","","","0.1212","0.1228","","","","","","1.019","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207034","23.129","0.005","39.47","0.008","40.61","0.008","90","","90","","90","","37073","13","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H26 In N O9 -","- C30 H20 In N O9 -","- C960 H640 In32 N32 O288 -","32","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.1479","0.0696","","","0.1404","0.1613","","","","","","1.035","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207035","10.4984","0.0003","7.7273","0.0002","15.4282","0.0004","90","","97.228","0.002","90","","1241.66","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Mn O8 -","- C11 H9 Mn O8 -","- C44 H36 Mn4 O32 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0449","0.0353","","","0.1046","0.1072","","","","","","1.095","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207036","17.3858","0.0005","7.7932","0.0003","10.8696","0.0004","90","","93.685","0.003","90","","1469.69","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H36 Mn2 O20 -","- C22 H17 Mn2 O20 -","- C44 H34 Mn4 O40 -","2","0.5","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0398","0.0364","","","0.0944","0.0962","","","","","","1.024","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207037","14.862","0.004","6.2531","0.0018","10.122","0.003","90","","90.938","0.004","90","","940.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Mn O7 -","- C8 H6 Mn O7 -","- C32 H24 Mn4 O28 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0329","0.0303","","","0.0876","0.0891","","","","","","1.106","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207038","18.7769","0.0014","19.8686","0.0014","8.7734","0.0006","90","","100.967","0.006","90","","3213.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O4 Zn -","- C28 H24 N10 O4 Zn -","- C112 H96 N40 O16 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0917","0.0692","","","0.2033","0.2168","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207039","18.7806","0.0005","19.9045","0.0005","8.7871","0.0002","90","","100.981","0.001","90","","3224.64","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O Zn -","- C28 H24 N10 O Zn -","- C112 H96 N40 O4 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1016","0.0815","","","0.2585","0.2764","","","","","","1.151","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207040","18.5462","0.0009","20.0824","0.001","8.7759","0.0005","90","","101.244","0.003","90","","3205.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O5 Zn -","- C28 H24 N10 O5 Zn -","- C112 H96 N40 O20 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1247","0.0809","","","0.2285","0.2649","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207041","18.5114","0.0007","20.0115","0.0008","8.7093","0.0003","90","","100.555","0.002","90","","3171.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N10 O4 -","- C28 H24 Co N10 O4 -","- C112 H96 Co4 N40 O16 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0903","0.0669","","","0.2051","0.2256","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207042","9.545","0.004","10.223","0.003","13.408","0.006","72.634","0.006","74.208","0.005","62.075","0.005","1089.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.1652","0.0521","","","0.0825","0.1015","","","","","","1.027","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207043","9.755","0.002","10.131","0.002","13.114","0.003","75.536","0.017","71.965","0.018","62.562","0.015","1084.9","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.0795","0.0469","","","0.1121","0.1301","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207044","13.6224","0.0003","13.6224","0.0003","7.4935","0.0003","90","","90","","120","","1204.27","0.06","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0677","0.0682","","","","","","1.101","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207045","13.6614","0.0019","13.6614","0.0019","7.4147","0.0015","90","","90","","120","","1198.4","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 O27 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0239","0.0232","","","0.063","0.0637","","","","","","1.078","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207046","13.6319","0.0019","13.6319","0.0019","7.3817","0.0015","90","","90","","120","","1188","0.3","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0296","0.0284","","","0.0733","0.0743","","","","","","1.096","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207047","6.9904","0.0004","9.6565","0.0004","14.2151","0.0006","82.948","0.004","85.238","0.004","76.655","0.004","925.1","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.03","0.0237","","","0.0591","0.0599","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207048","6.9645","0.0014","9.7081","0.0019","14.259","0.003","82.88","0.03","85.24","0.03","76.75","0.03","929.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0366","0.0297","","","0.0768","0.0807","","","","","","1.088","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207049","6.9007","0.0002","9.6327","0.0004","14.1655","0.0004","82.82","0.003","84.971","0.002","76.703","0.003","907.49","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0262","0.0218","","","0.0556","0.0562","","","","","","1.025","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207050","9.6073","0.0011","13.1029","0.0015","15.144","0.0019","90","","100.668","0.004","90","","1873.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 Cu N9 O8 -","- C10 H21 Cu N9 O8 -","- C40 H84 Cu4 N36 O32 -","4","1","","Zhu, Xia; Feng, Yun-Fei; Li, Min; Li, Bao-Long; Zhang, Yong","A novel T4(1)6(1) water tape encapsulated in a (3,3)-connected 2D copper metal‒organic framework","CrystEngComm","2012","14","1","79","","10.1039/c1ce05866e","","","0.71075","MoKα","","0.0775","0.061","","","0.1462","0.1572","","","","","","1.085","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207051","13.3464","0.0006","13.8945","0.0004","14.565","0.0006","90","","114.553","0.005","90","","2456.73","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N0 Ni2 O18 -","- C18 H10 Ni2 O18 -","- C72 H40 Ni8 O72 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0381","0.0306","","","0.0893","0.0909","","","","","","1.115","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207052","7.429","","24.143","","24.275","","90","","96.58","","90","","4325.24","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 N8 Ni2 O12 -","- C46 H38 N8 Ni2 O12 -","- C184 H152 N32 Ni8 O48 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0523","0.0308","","","0.064","0.066","","","","","","0.953","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207053","12.6861","0.0008","13.3872","0.001","13.4602","0.0008","91.588","0.005","100.888","0.005","115.561","0.007","2009.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Co2 N6 O12.5 -","- C39 H31 Co2 N6 O12.5 -","- C78 H62 Co4 N12 O25 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.13","0.0462","","","0.0613","0.0663","","","","","","0.797","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207054","17.93","0.005","20.008","0.005","22.662","0.005","90","0.005","90","0.005","90","0.005","8130","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co2 N9 O15 -","- C36 H28 Co2 N9 O15 -","- C288 H224 Co16 N72 O120 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1333","0.0629","","","0.1167","0.1411","","","","","","0.99","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207055","13.2776","0.0004","22.1202","0.0006","14.269","0.0004","90","","112.54","0.004","90","","3870.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H40 N4 Ni2 O17 -","- C29 H10 N4 Ni2 O17 -","- C116 H40 N16 Ni8 O68 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0761","0.0607","","","0.177","0.1836","","","","","","1.148","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207056","9.536","0.005","10.243","0.005","15.501","0.005","89.398","0.005","76.99","0.005","88.19","0.005","1474.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 O12 Zn3 -","- C27 H22 N4 O12 Zn3 -","- C54 H44 N8 O24 Zn6 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.0866","0.0517","","","0.1014","0.1183","","","","","","1.018","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207057","6.6602","0.0003","16.2245","0.0007","18.373","0.0009","90","","90.984","0.004","90","","1985.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N6 Ni O8 -","- C16 H15 N6 Ni O8 -","- C64 H60 N24 Ni4 O32 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0598","0.044","","","0.1133","0.1231","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207058","13.088","0.005","16.376","0.005","18.092","0.005","90","0.005","101.446","0.005","90","0.005","3801","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N12 O13 Zn2 -","- C32 H30 N12 O13 Zn2 -","- C128 H120 N48 O52 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1319","0.0605","","","0.0866","0.1076","","","","","","0.985","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207059","9.731","0.005","10.12","0.005","10.597","0.005","67.258","0.005","62.83","0.005","75.866","0.005","853.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Co N3 O8.5 -","- C13 H9 Co N3 O8.5 -","- C26 H18 Co2 N6 O17 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1162","0.0691","","","0.1566","0.1864","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207060","21.092","0.005","15.132","0.005","12.318","0.005","90","0.005","100.208","0.005","90","0.005","3869","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N6 O5.5 Zn -","- C17 H17 N6 O5.5 Zn -","- C136 H136 N48 O44 Zn8 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.2149","0.0996","","","0.1502","0.1817","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207061","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207062","10.2649","0.0003","11.1956","0.0003","35.1514","0.001","88.619","0.002","86.651","0.002","62.748","0.003","3585.1","0.2","150","1","150","1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C104.7 H80 Cl1.3 Fe2 N0.7 O26 S64 -","2","1","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.0635","0.0519","","","0.1251","0.1305","","","","","","1.01","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207063","19.8124","0.0006","6.9607","0.0001","16.8179","0.0004","90","","123.61","0.017","90","","1931.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S7 Sb2 -","- C4 H16 In2 N2 S7 Sb2 -","- C16 H64 In8 N8 S28 Sb8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0384","0.0338","","","0.0833","0.0875","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207064","20.0561","0.0016","7.0325","0.0003","16.8343","0.0016","90","","123.485","0.012","90","","1980.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S4.8 Sb2 Se2.2 -","- C4 H16 In2 N2 S4.801 Sb2 Se2.199 -","- C16 H64 In8 N8 S19.204 Sb8 Se8.796 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0586","0.0471","","","0.1212","0.1329","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207065","20.2182","0.0019","7.1175","0.0003","16.974","0.003","90","","123.619","0.014","90","","2034.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C16 H64 In8 N8 S11.2 Sb8 Se16.8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0611","0.039","","","0.0596","0.0659","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207066","20.3648","0.0011","7.1872","0.0002","17.1677","0.0015","90","","123.551","0.009","90","","2094.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 Sb2 Se7 -","- C4 H16 In2 N2 Sb2 Se7 -","- C16 H64 In8 N8 Sb8 Se28 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0393","0.0253","","","0.0407","0.0415","","","","","","1.011","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207067","8.3589","0.0009","10.6257","0.0012","11.7957","0.0013","80.019","0.01","72.499","0.01","73.133","0.01","951.94","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide adipic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide adipic acid","","- C17 H18 N3 O6 S2 -","- C17 H18 N3 O6 S2 -","- C34 H36 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam‒carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0966","0.044","","","0.0746","0.0846","","","","","","0.855","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207068","8.5979","0.0006","10.4551","0.0006","11.7515","0.0007","91.355","0.005","107.856","0.006","109.444","0.006","938.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide terephtalic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide terephtalic acid","","- C18 H16 N3 O6 S2 -","- C18 H16 N3 O6 S2 -","- C36 H32 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam–carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0896","0.0432","","","0.0855","0.0954","","","","","","0.876","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7207069","11.31","0.002","17.162","0.003","17.335","0.003","88.01","0.01","82.742","0.01","70.891","0.01","3153.8","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","","- C64.5 H54.75 N20.25 O6 -","- C64.5 H54.75 N20.25 O6 -","- C129 H109.5 N40.5 O12 -","2","1","","Aakeröy, Christer B.; Smith, Michelle M.; Desper, John","α,α′,α′′-Tris(hydroxyimino)-1,3,5-benzenetriacetonitrile: A three-fold symmetric, versatile and practical supramolecular building block","CrystEngComm","2012","14","1","71","","10.1039/c1ce05919j","","","0.71073","MoKα","","0.1118","0.0795","","","0.2227","0.2419","","","","","","1.404","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207070","9.8702","0.0015","13.7735","0.0019","8.146","0.0012","90","","123.368","0.005","90","","924.9","0.2","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/powder/org3_fox/gsas/P21a.cif","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.0978","","3.11","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207071","12.207","0.006","16.487","0.008","7.495","0.004","90","","102.952","0.005","90","","1470","1.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from D:/swastik/orpow/ORG1/Newdata/ORG1INI_1.xtl","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","2.58","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207072","8.0139","0.0005","7.26162","0.00028","23.954","0.0018","90","","95.738","0.005","90","","1386.99","0.15","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/CRYSTAL/Powder/TASKS/swastik_organic_final/org4/gsas/full_","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","1.83","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207073","8.7691","0.0012","15.978","0.002","19.948","0.003","90","","96.217","0.002","90","","2778.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N2 O8 -","- C30 H24 Cu2 N2 O8 -","- C120 H96 Cu8 N8 O32 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0681","0.0391","","","0.088","0.101","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207074","9.2137","0.0014","28.298","0.003","20.62","0.002","90","","90","","90","","5376.2","1.1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H25 Co N3 O5 -","- C28 H17 Co N3 O5 -","- C224 H136 Co8 N24 O40 -","8","0.5","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.07","0.0621","","","0.1793","0.1842","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207075","9.94","0.005","9.87","0.005","26.176","0.014","90","","90","","90","","2568","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 Zn -","- C12 H11 N3 O4 Zn -","- C96 H88 N24 O32 Zn8 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0908","0.0779","","","0.1889","0.1971","","","","","","1.157","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207076","17.156","0.002","11.1833","0.0014","21.237","0.003","90","","111.829","0.001","90","","3782.4","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd N2 O4.5 -","- C20 H17 Cd N2 O4.5 -","- C160 H136 Cd8 N16 O36 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0401","0.0268","","","0.061","0.0676","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207077","19.2973","0.0012","15.0215","0.0009","19.6662","0.0012","90","","92.575","0.001","90","","5695","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cd3 N4 O14 -","- C56 H56 Cd3 N4 O14 -","- C224 H224 Cd12 N16 O56 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.049","0.0338","","","0.0826","0.0885","","","","","","1.056","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207078","7.664","0.002","7.924","0.002","19.461","0.005","85.113","0.003","88.303","0.004","88.893","0.004","1176.9","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O12 Zn -","- C24 H20 O12 Zn -","- C48 H40 O24 Zn2 -","2","1","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0703","0.0526","","","0.1201","0.1242","","","","","","1.077","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207079","8.718","0.003","10.699","0.004","21.624","0.008","93.194","0.005","100.816","0.005","112.086","0.005","1818","1.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0841","0.0609","","","0.1343","0.1402","","","","","","1.047","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207080","9.862","0.006","10.381","0.006","18.348","0.011","100.222","0.008","104.613","0.007","91.281","0.008","1784.4","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0809","0.0502","","","0.1124","0.1218","","","","","","1.032","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207081","9.845","0.002","23.329","0.005","22.778","0.005","90","","101.54","0.03","90","","5126","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn3 N4 O12 -","- C56 H52 Mn3 N4 O12 -","- C224 H208 Mn12 N16 O48 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.089","0.0467","","","0.1121","0.1645","","","","","","1.099","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207082","28.7774","0.0018","9.6971","0.0006","18.9936","0.0012","90","","125.855","0.001","90","","4295.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Mn N2 O5 -","- C24 H22 Mn N2 O5 -","- C192 H176 Mn8 N16 O40 -","8","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0862","0.0642","","","0.1376","0.1493","","","","","","1.027","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207083","11.5778","0.0007","12.033","0.0007","15.859","0.0009","90.307","0.001","94.863","0.001","108.68","0.001","2084.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn N4 O8 -","- C48 H42 Mn N4 O8 -","- C96 H84 Mn2 N8 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0804","0.0592","","","0.1396","0.1511","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207084","14.406","0.0008","18.0665","0.001","20.624","0.0012","90","","90","","90","","5367.7","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C60 H57 Fe N6 O11.5 -","- C60 H57 Fe N6 O11.5 -","- C240 H228 Fe4 N24 O46 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0669","0.0603","","","0.1556","0.1598","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207085","9.2581","0.0006","13.0985","0.0009","18.1773","0.0012","97.65","0.001","97.648","0.001","107.288","0.001","2051","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0928","0.0685","","","0.1641","0.1836","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207086","31.7379","0.0008","9.5391","0.0002","28.4999","0.0007","90","","116.186","0.0008","90","","7742.8","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H82 Co4 N6 O21 -","- C78 H82 Co4 N6 O21 -","- C312 H328 Co16 N24 O84 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0453","0.0327","","","0.0789","0.0852","","","","","","1.038","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207087","14.3721","0.0007","12.7909","0.0006","12.599","0.0006","90","","97.234","0.001","90","","2297.66","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N2 O5 -","- C24 H22 Co N2 O5 -","- C96 H88 Co4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0689","0.0516","","","0.1229","0.1309","","","","","","1.06","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207088","32.932","0.007","9.4843","0.0019","27.667","0.006","90","","116.54","0.03","90","","7731","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H75 Co4 N6 O17.5 -","- C84 H75 Co4 N6 O17.5 -","- C336 H300 Co16 N24 O70 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1328","0.0651","","","0.1645","0.2255","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207089","9.2982","0.0005","13.1243","0.0007","18.0169","0.001","97.222","0.001","97.784","0.001","107.232","0.001","2048.41","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0769","0.0599","","","0.146","0.1568","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207090","15.1908","0.0011","10.2298","0.0008","15.6092","0.0012","90","","109.949","0.001","90","","2280.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 Ni O5 -","- C24 H22 N2 Ni O5 -","- C96 H88 N8 Ni4 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.097","0.0637","","","0.1428","0.1583","","","","","","1.015","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207091","14.7048","0.0006","13.1186","0.0005","26.8081","0.0008","90","","131.266","0.001","90","","3887.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu2 N4 O8 -","- C44 H40 Cu2 N4 O8 -","- C176 H160 Cu8 N16 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0821","0.0701","","","0.1598","0.1675","","","","","","1.107","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207092","15.0898","0.001","12.3402","0.0008","12.2249","0.0008","90","","107.505","0.001","90","","2171","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu N2 O5 -","- C24 H22 Cu N2 O5 -","- C96 H88 Cu4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0692","0.0533","","","0.1207","0.128","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207093","10.036","0.002","12.322","0.003","25.767","0.005","90","","93.06","0.03","90","","3181.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C144 H136 Cu4 N8 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0542","0.0379","","","0.1168","0.1574","","","","","","1.093","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207094","10.988","0.002","14.253","0.003","11.358","0.002","90","","108.93","0.03","90","","1682.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0593","0.043","","","0.0919","0.1102","","","","","","1.006","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207095","9.3469","0.0005","13.1507","0.0007","18.4605","0.0009","98.535","0.001","97.856","0.001","107.013","0.001","2106.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0876","0.0613","","","0.1518","0.1693","","","","","","1.002","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207096","9.0401","0.0004","10.1153","0.0005","13.3557","0.0005","105.957","0.0015","93.6439","0.001","95.9421","0.0015","1162.5","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 O6 Zn -","- C24 H24 N2 O6 Zn -","- C48 H48 N4 O12 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0666","0.0394","","","0.1016","0.1432","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207097","10.991","0.002","14.254","0.003","11.361","0.002","90","","108.93","0.03","90","","1683.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn -","- C72 H68 N4 O16 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0632","0.0463","","","0.1043","0.1225","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207098","22.638","0.005","9.995","0.002","19.913","0.004","90","","96.34","0.03","90","","4478.1","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N4 O11 Zn2 -","- C48 H46 N4 O11 Zn2 -","- C192 H184 N16 O44 Zn8 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1138","0.0719","","","0.1746","0.2172","","","","","","1.15","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207099","15.8078","0.0004","15.8078","0.0004","9.2047","0.0003","90","","90","","120","","1991.97","0.1","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- C13.5 H21 O3 -","- C13.5 H22.5 O3 -","- C81 H135 O18 -","6","0.333333","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71069","MoKα","","0.0385","0.0379","","","0.0967","0.0973","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207100","13.076","0.006","6.162","0.003","23.616","0.012","90","","102.183","0.009","90","","1860","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.1076","0.0752","","","0.1661","0.1801","","","","","","1.108","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207101","6.9496","0.0007","17.9193","0.0019","22.411","0.002","90","","90.75","0.002","90","","2790.6","0.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 O9 -","- C27 H42 O9 -","- C108 H168 O36 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.142","0.1097","","","0.2311","0.2485","","","","","","1.179","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207102","13.422","0.003","9.1054","0.0016","16.551","0.006","90","","119.1","0.02","90","","1767.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S3 -","- C18 H20 O3 S3 -","- C72 H80 O12 S12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.0374","0.033","","","0.0815","0.0832","","","","","","1.107","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207103","10.5423","0.0017","10.5423","0.0017","20.448","0.004","90","","90","","120","","1968.1","0.6","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.026","0.0242","","","0.0507","0.0516","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207104","10.5544","0.0002","10.5544","0.0002","20.4446","0.0006","90","","90","","120","","1972.32","0.08","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0207","0.0177","","","0.0337","0.0346","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207105","10.2531","0.0002","10.2531","0.0002","20.2456","0.0006","90","","90","","120","","1843.2","0.07","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","1.54178","CuKα","","0.024","0.0235","","","0.0595","0.0597","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207106","10.2723","0.0004","10.2723","0.0004","20.4692","0.0009","90","","90","","120","","1870.54","0.13","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0323","0.0262","","","0.0539","0.0635","","","","","","1.123","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207107","13.359","0.003","11.451","0.003","9.571","0.002","90","","117.517","0.004","90","","1298.5","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0362","0.0346","","","0.0823","0.0835","","","","","","1.134","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207108","4.738","0.002","9.523","0.005","14.954","0.007","91.602","0.009","96.669","0.009","94.446","0.009","667.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0797","0.0571","","","0.123","0.1334","","","","","","1.11","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207109","3.9434","0.0011","21.648","0.006","14.748","0.004","90","","96.449","0.005","90","","1251","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C64 H40 N8 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0724","0.0615","","","0.1191","0.1233","","","","","","1.185","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207110","3.989","0.002","21.214","0.011","11.076","0.006","90","","97.855","0.009","90","","928.5","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.1519","0.1078","","","0.2525","0.2789","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207111","7.353","0.004","13.472","0.008","9.327","0.006","90","","108.714","0.01","90","","875.1","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.124","0.0763","","","0.1505","0.1688","","","","","","1.117","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207112","16.708","0.002","15.732","0.002","14.436","0.001","90","","107.79","0.01","90","","3613.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-(4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl) ethyl)phthalazin-1(2H)-one","","- C17 H16 N6 O S2 -","- C17 H16 N6 O S2 -","- C136 H128 N48 O8 S16 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1054","0.0465","","","0.1068","0.1355","","","","","","1.021","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207113","9.161","0.001","14.063","0.001","13.109","0.001","90","","102.12","0.01","90","","1651.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-(4-chloro-6-(methylthio)-1H-pyrazolo [3,4-d]pyrimidin-1-yl)ethyl)phthalazin-1(2H)-one","","- C16 H13 Cl N6 O S -","- C16 H13 Cl N6 O S -","- C64 H52 Cl4 N24 O4 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0782","0.0461","","","0.1075","0.1225","","","","","","1.028","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207114","9.249","0.001","17.58","0.002","11.55","0.002","90","","105.11","0.01","90","","1813.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2-(2-(4-methoxy-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C68 H64 N24 O16 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1033","0.0486","","","0.1113","0.1354","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207115","18.2274","0.0005","15.2903","0.0004","13.9319","0.0005","90","","108.746","0.003","90","","3676.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","3-(2-(4-methoxy-6-(methylsulfonyl)- 1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) quinazolin-4(3H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C136 H128 N48 O32 S8 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0663","0.0403","","","0.1075","0.1144","","","","","","1.005","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207116","13.6729","0.0008","9.0043","0.0006","13.8349","0.0008","90","","90.388","0.005","90","","1703.24","0.18","294","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","none","2-(2-(4-chloro-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C16 H13 Cl N6 O3 S -","- C16 H13 Cl N6 O3 S -","- C64 H52 Cl4 N24 O12 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0319","0.0315","","","0.0812","0.0816","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207117","8.137","0.0016","14.468","0.003","10.377","0.002","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H7 Cl2 N O5 Pb -","- C9 H7 Cl2 N O5 Pb -","- C36 H28 Cl8 N4 O20 Pb4 -","4","0.5","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0467","0.0278","","","0.0657","0.073","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207118","13.55","0.003","8.96","0.0018","13.82","0.003","90","","99.16","0.03","90","","1656.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O5 Pb S -","- C16 H12 N2 O5 Pb S -","- C64 H48 N8 O20 Pb4 S4 -","4","1","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0506","0.0323","","","0.0873","0.129","","","","","","1.04","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207119","7.9092","0.0005","11.2366","0.0006","19.2416","0.001","90","","95.413","0.006","90","","1702.42","0.17","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O4 S2 -","- C18 H12 Cu N2 O4 S2 -","- C72 H48 Cu4 N8 O16 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0547","0.0303","","","0.0532","0.0553","","","","","","0.994","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207120","15.308","0.003","16.129","0.002","7.999","0.002","90","","110.94","0.03","90","","1844.5","0.7","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cu N2 O5 S2 -","- C16 H14 Cu N2 O5 S2 -","- C64 H56 Cu4 N8 O20 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0845","0.0585","","","0.1231","0.1292","","","","","","1.023","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207121","7.7845","0.0005","12.2006","0.0006","12.2707","0.0006","109.26","0.004","94.393","0.005","99.606","0.004","1073.86","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cu2 N O10 S4 -","- C15 H18 Cu2 N O10 S4 -","- C30 H36 Cu4 N2 O20 S8 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0532","0.0376","","","0.1112","0.1153","","","","","","0.996","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207122","13.9737","0.0007","13.9846","0.0006","16.1404","0.0008","112.092","0.004","98.552","0.004","104.588","0.004","2722.1","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C108 H80 Cl4 Mn4 N16 O28 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.1294","0.0511","","","0.0896","0.0966","","","","","","0.981","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207123","14.4203","0.0008","14.8169","0.0007","15.5464","0.0007","89.536","0.004","62.541","0.005","65.838","0.005","2621.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C102 H80 Cl4 Mn4 N18 O24 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0681","0.0448","","","0.1066","0.1198","","","","","","1.011","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207124","12.056","0.002","15.736","0.003","17.49","0.004","73.04","0.03","74.49","0.03","78.36","0.03","3030.5","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ce F18 N4 O12 -","- C55 H49 Ce F18 N4 O12 -","- C110 H98 Ce2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0381","0.0325","","","0.0702","0.0726","","","","","","1.06","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207125","11.259","0.002","17.207","0.003","23.884","0.006","90","","117.99","0.02","90","","4085.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F18 N2 O9 Pr -","- C30 H24 F18 N2 O9 Pr -","- C120 H96 F72 N8 O36 Pr4 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1","0.0666","","","0.1244","0.1369","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207126","12.421","0.003","15.856","0.003","18.21","0.004","69.13","0.03","73.1","0.03","89.59","0.03","3187.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 F18 N4 O12 Pr -","- C55 H49 F18 N4 O12 Pr -","- C110 H98 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1007","0.0796","","","0.2258","0.24","","","","","","1.102","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207127","10.953","0.005","17.082","0.008","23.293","0.009","90","","116.581","0.017","90","","3897","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ce F18 N2 O9 -","- C30 H24 Ce F18 N2 O9 -","- C120 H96 Ce4 F72 N8 O36 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0366","0.0344","","","0.0815","0.083","","","","","","1.045","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207128","8.3732","0.0004","19.281","0.0009","15.4445","0.0007","90","","90.89","0.002","90","","2493.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H20 N4 O7 Zn -","- C96 H80 N16 O28 Zn4 -","4","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0886","0.041","","","0.095","0.1035","","","","","","1.006","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207129","9.0807","0.0015","11.36","0.0016","13.2607","0.0019","92.714","0.013","106.281","0.016","107.242","0.014","1241.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd N4 O8 -","- C24 H26 Cd N4 O8 -","- C48 H52 Cd2 N8 O16 -","2","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0258","0.0236","","","0.0599","0.0612","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207130","9.2535","0.0002","10.2529","0.0002","11.8897","0.0003","91.372","0.001","111.487","0.001","102.427","0.001","1018.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","1","0.5","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0492","0.0399","","","0.1245","0.1287","","","","","","1.085","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207131","27.298","0.004","10.7049","0.0012","15.889","0.003","90","","122.48","0.01","90","","3916.8","1.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C164 H170 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.046","0.0455","","","0.1181","0.1185","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207132","26.316","0.006","14.8918","0.0019","8.0849","0.0017","90","","105.687","0.017","90","","3050.4","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 N3 O8 Zn2 -","- C27 H31 N3 O8 Zn2 -","- C108 H124 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0308","0.0293","","","0.0789","0.0799","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207133","11.5721","0.0009","18.1584","0.001","13.846","0.001","90","","110.258","0.006","90","","2729.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl2 I2 N3 Zn -","- C25 H23 Cl2 I2 N3 Zn -","- C100 H92 Cl8 I8 N12 Zn4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0375","0.0373","","","0.0996","0.0996","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207134","9.0269","0.0009","10.144","0.001","10.6092","0.0011","62.324","0.006","65.248","0.006","70.093","0.006","768.3","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C38 H38 N6 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0723","0.0558","","0.1785","0.0783","0.0621","","","","","","1.1032","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207135","7.2109","0.0008","7.3813","0.0009","7.3993","0.0009","61.433","0.002","66.1","0.002","71.148","0.002","312.1","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","1","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0253","0.0251","","","0.069","0.0691","","","","","","1.153","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207136","8.6676","0.0014","10.1917","0.0016","7.5121","0.0012","90","","95.644","0.003","90","","660.38","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cd N4 O8 S2 -","- C6 H10 Cd N4 O8 S2 -","- C12 H20 Cd2 N8 O16 S4 -","2","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0209","0.0195","","","0.0508","0.0517","","","","","","1.072","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207137","7.5543","0.0015","5.4219","0.001","14.26","0.003","90","","90.59","0.004","90","","584","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 Ag N2 O3 S -","- C3 H3 Ag N2 O3 S -","- C12 H12 Ag4 N8 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0408","0.039","","","0.1008","0.1044","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207138","10.3639","0.0015","7.1327","0.001","10.1111","0.0015","90","","115.701","0.002","90","","673.49","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N2 Na O4 S -","- C3 H5 N2 Na O4 S -","- C12 H20 N8 Na4 O16 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0749","0.0766","","","","","","1.113","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207139","8.9194","0.0017","7.2408","0.0014","11.226","0.002","90","","101.787","0.003","90","","709.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N3 O3 S -","- C3 H7 N3 O3 S -","- C12 H28 N12 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0302","0.0293","","","0.0802","0.081","","","","","","1.098","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207140","19.807","0.0003","27.714","0.0005","27.847","0.0005","90","","90","","90","","15286.1","0.5","200","2","200","2","","","","","","","","5","P n m n","-P 2n 2n","58","","","","- C33 H35 N3 O10.5 Zn2 -","- C24 H12 O7.5 Zn2 -","- C192 H96 O60 Zn16 -","8","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1209","0.0602","","","0.1523","0.1769","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207141","15.331","0.0002","17.957","0.0003","16.533","0.0003","90","","117.704","0.001","90","","4029.73","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C135.6 H140.4 Co6 N13.2 O37.2 -","4","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1507","0.0775","","","0.2087","0.2547","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207142","4.7998","0.0019","23.277","0.018","30.22","0.02","90","","90","","90","","3376","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C11 H23 Cd N3 O14 -","- C11 H9 Cd N2 O6 -","- C88 H72 Cd8 N16 O48 -","8","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1411","0.0882","","","0.2066","0.2357","","","","","","1.067","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207143","5.0975","0.0003","11.4735","0.0006","29.143","0.002","90","","90","","90","","1704.46","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H27 N2 O13 Zn -","- C11 H17 N2 O8 Zn -","- C44 H68 N8 O32 Zn4 -","4","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0891","0.0766","","","0.2013","0.2084","","","","","","1.015","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207144","7.0378","0.001","13.4247","0.0019","13.0933","0.0018","90","","90.475","0.013","90","","1237","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd Cl N2 O4 -","- C11 H9 Cd Cl N2 O4 -","- C44 H36 Cd4 Cl4 N8 O16 -","4","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1006","0.0858","","","0.229","0.2369","","","","","","1.15","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207145","7.0505","0.0009","7.7448","0.0009","8.4534","0.0009","107.543","0.01","95.451","0.01","98.716","0.01","430.17","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","1","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0525","0.0434","","","0.0959","0.1028","","","","","","0.856","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207146","7.8622","0.0005","7.8443","0.0004","14.2865","0.0009","90","","102.523","0.006","90","","860.14","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H12 Cd N2 O8 -","- C16 H12 Cd N2 O8 -","- C32 H24 Cd2 N4 O16 -","2","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.051","0.0452","","","0.1035","0.1065","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207147","10.277","0.003","15.593","0.005","9.715","0.003","90","","114.844","0.006","90","","1412.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H10 F8 I4 -","- C28 H10 F8 I4 -","- C56 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0545","0.0459","","","0.1029","0.1074","","","","","","1.087","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207148","8.3885","0.0002","18.3017","0.0004","13.1838","0.0004","90","","105.268","0.001","90","","1952.59","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.056","0.0373","","","0.0889","0.0991","","","","","","1.016","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207149","9.2348","0.0002","17.6801","0.0004","7.3278","0.0002","90","","101.34","0.002","90","","1173.07","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-Aminopyridinium) 2,5-dihydrogenpyromellitate tetrahydrate","bis(3-Aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate tetrahydrate","","- C20 H26 N4 O12 -","- C20 H26 N4 O12 -","- C40 H52 N8 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0955","0.0486","","","0.1166","0.1288","","","","","","0.895","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207150","6.6314","0.0002","9.5284","0.0003","9.8203","0.0003","66.511","0.003","87.534","0.002","83.336","0.002","565.25","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(4-Carboxyanilinium) 2,5-dihydrogenpyromellitate","bis(4-Carboxyphenylammonium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0502","0.0444","","","0.1305","0.1344","","","","","","1.069","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207151","7.0774","0.0002","7.5332","0.0003","19.418","0.0006","90","","94.931","0.003","90","","1031.45","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C44 H32 N4 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0552","0.0346","","","0.0877","0.0926","","","","","","0.969","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207152","7.2785","0.0002","7.3763","0.0002","10.0274","0.0002","72.392","0.002","87.792","0.002","76.164","0.002","497.91","0.02","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0421","0.036","","","0.1037","0.1067","","","","","","1.063","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207153","23.8597","0.0008","7.267","0.0002","19.5048","0.0008","90","","117.713","0.001","90","","2993.96","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Ag2 N14 O5 -","- C28 H26 Ag2 N14 O5 -","- C112 H104 Ag8 N56 O20 -","4","0.5","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0253","0.0223","","","0.0615","0.079","","","","","","1.195","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207154","49.174","0.008","8.9007","0.0015","12.382","0.002","90","","102.613","0.003","90","","5288.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ag2 N12 O5 -","- C24 H22 Ag2 N12 O5 -","- C192 H176 Ag16 N96 O40 -","8","1","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0684","0.0666","","","0.1718","0.1732","","","","","","1.087","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207155","12.472","0.002","12.472","0.002","19.703","0.003","90","","90","","120","","2654.2","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.83 Eu N2 O8.41 -","- C6 H7.828 Eu N2 O8.414 -","- C54 H70.452 Eu9 N18 O75.726 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0329","0.033","","","","","","1.04","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207156","12.439","0.0009","12.439","0.0009","19.67","0.0015","90","","90","","120","","2635.8","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.04 Gd N2 O8.52 -","- C6 H8.036 Gd N2 O8.51867 -","- C54 H72.324 Gd9 N18 O76.668 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0338","0.0339","","","","","","1.017","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207157","12.404","0.001","12.404","0.001","19.6075","0.0016","90","","90","","120","","2612.6","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.06 N2 O8.53 Tb -","- C6 H8.064 N2 O8.532 Tb -","- C54 H72.576 N18 O76.788 Tb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0123","0.0122","","","0.0303","0.0303","","","","","","1.068","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207158","12.359","0.002","12.359","0.002","19.602","0.003","90","","90","","120","","2593","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8 Dy N2 O8.5 -","- C6 H8.008 Dy N2 O8.504 -","- C54 H72.072 Dy9 N18 O76.536 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0126","0.0125","","","0.0291","0.0291","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207159","12.2943","0.0008","12.2943","0.0008","19.556","0.003","90","","90","","120","","2559.9","0.5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.57 Er N2 O8.79 -","- C6 H8.572 Er N2 O8.78667 -","- C54 H77.148 Er9 N18 O79.08 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0167","0.0166","","","0.0398","0.0398","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207160","12.2284","0.0016","12.2284","0.0016","19.605","0.005","90","","90","","120","","2538.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.93 N2 O8.46 Yb -","- C6 H7.928 N2 O8.46 Yb -","- C54 H71.352 N18 O76.14 Yb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0195","0.0194","","","0.0454","0.0454","","","","","","1.084","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207161","12.4387","0.0009","12.4387","0.0009","19.6706","0.0015","90","","90","","120","","2635.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.94 Gd N2 O8.47 -","- C6 H7.936 Gd N2 O8.46667 -","- C54 H71.424 Gd9 N18 O76.2 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0615","0.0616","","","","","","1.086","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207162","22.42158","0.00019","22.42158","0.00019","22.42158","0.00019","90","","90","","90","","11271.9","0.17","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C92 H127 N11 O24 Si2 Zn4 -","- C48.05 H28.032 O13.012 Si2 Zn4 -","- C192.2 H112.128 O52.048 Si8 Zn16 -","4","0.166667","","Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5","CrystEngComm","2012","14","3","758","","10.1039/c1ce06091k","","","1.54184","CuKα","","0.118","0.1007","","","0.3406","0.3593","","","","","","1.382","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207163","11.511","0.002","12.436","0.003","12.095","0.002","90","","102.05","0.03","90","","1693.3","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamerazine-1,4-dioxane (1:1)","Sulfamerazine-1,4-dioxane (1:1)","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0494","0.0462","","","0.1192","0.1219","","","","","","1.104","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207164","7.7675","0.0016","8.1233","0.0016","12.631","0.003","91.16","0.03","95.69","0.03","105.23","0.03","764.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-1,4-dioxane (1:0.5)","Sulfamerazine-1,4-dioxane (1:0.5)","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C26 H32 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0487","0.0464","","","0.1106","0.1125","","","","","","1.116","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207165","9.774","0.002","12.556","0.003","14.659","0.003","76.58","0.03","77.57","0.03","86.18","0.03","1708.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylformamide(1:1)","Sulfamerazine-dimethylformamide(1:1)","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C56 H76 N20 O12 S4 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0828","0.0725","","","0.1708","0.1783","","","","","","1.185","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207166","7.6792","0.0015","8.3101","0.0017","15.125","0.003","93.13","0.03","101.81","0.03","104.77","0.03","907.7","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylacetamide(1:1)","Sulfamerazine-dimethylacetamide(1:1)","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C30 H42 N10 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0675","0.0641","","","0.1661","0.1694","","","","","","1.104","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207167","5.965","0.0012","9.6479","0.0019","14.817","0.003","76.16","0.03","83.05","0.03","89.71","0.03","821.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-cyclopentanone(1:1)","Sulfamerazine-cyclopentanone(1:1)","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C32 H40 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0591","0.0571","","","0.1564","0.1576","","","","","","1.151","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207168","7.8319","0.0016","8.1117","0.0016","15.358","0.003","76.47","0.03","77.04","0.03","73.54","0.03","896.6","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-3-Picoline(1:1)","Sulfamerazine-3-Picoline(1:1)","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C34 H38 N10 O4 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1198","0.1233","","","","","","1.117","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207169","13.0158","0.0009","13.0158","0.0009","10.8532","0.0004","90","","90","","120","","1592.32","0.17","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Mn(DMSO)4(H2O)2][Mn2TCNQ3]","","","- C44 H40 Mn3 N12 O6 S4 -","- C36 H12 Mn2.999 N12 -","- C36 H12 Mn2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.1027","0.0821","","","0.2513","0.2809","","","","","","1.022","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207170","12.9515","0.0004","12.9515","0.0004","10.8818","0.0002","90","","90","","120","","1580.78","0.07","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Cd(DMSO)4(H2O)2][Cd2TCNQ3]","","","- C44 H40 Cd3 N12 O6 S4 -","- C36 H12 Cd2.999 N12 -","- C36 H12 Cd2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.043","0.039","","","0.1149","0.1181","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207171","12.7447","0.0004","12.7447","0.0004","10.7107","0.0003","90","","90","","120","","1506.63","0.08","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Zn(DMSO)4(H2O)2][Zn2TCNQ3]","","","- C44 H40 N12 O6 S4 Zn3 -","- C36 H12 N12 Zn3 -","- C36 H12 N12 Zn3 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.0883","0.0827","","","0.2757","0.2859","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207172","12.8814","0.0003","12.8814","0.0003","22.0591","0.0004","90","","90","","120","","3169.89","0.12","130","2","130","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","[Mn(bipy)3][Mn2TCNQ3].2MeOH","","","- C68 H44 Mn3 N18 O2 -","- C36 H12 Mn3 N12 -","- C72 H24 Mn6 N24 -","2","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.107","0.099","","","0.3149","0.3385","","","","","","1.501","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207173","12.097","0.003","10.088","0.002","26.807","0.006","90","","90","","90","","3271.4","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,3-benzothiazole-2-yl","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C136 H120 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0538","0.0528","","","0.1024","0.103","","","","","","1.318","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207174","14.1449","0.0013","9.9181","0.0009","25.167","0.002","90","","90","","90","","3530.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","6-methyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C144 H136 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0647","0.0625","","","0.1182","0.1192","","","","","","1.342","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207175","14.9642","0.0018","7.717","0.0009","18.704","0.003","90","","116.669","0.002","90","","1930.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-methoxy-1,3-benzothiazole-2-yl","","","- C19 H21 Cl N2 O4 S -","- C19 H21 Cl N2 O4 S -","- C76 H84 Cl4 N8 O16 S4 -","4","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0477","0.0376","","","0.0916","0.1027","","","","","","1.058","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207176","23.731","0.002","13.7198","0.0014","17.4841","0.0018","90","","102.16","0.002","90","","5564.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-ethoxy-1,3-benzothiazole-2-yl","","","- C19 H19 Cl N2 O3 S -","- C19 H19 Cl N2 O3 S -","- C228 H228 Cl12 N24 O36 S12 -","12","3","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0532","0.0408","","","0.0933","0.0999","","","","","","1.038","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207177","7.2962","0.0007","9.8387","0.001","13.9567","0.0014","77.188","0.002","84.71","0.002","76.498","0.002","949.07","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","6-chloro-1,3-benzothiazole-2-yl","","","- C18 H18 Cl2 N2 O3 S -","- C18 H18 Cl2 N2 O3 S -","- C36 H36 Cl4 N4 O6 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0337","0.0315","","","0.0833","0.0849","","","","","","1.054","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207178","7.395","0.002","7.653","0.002","15.958","0.004","90.156","0.005","96.693","0.004","99.998","0.004","883.1","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","6-nitro-1,3-benzothiazole-2-yl","","","- C17 H14 Cl N3 O4 S -","- C17 H14 Cl N3 O4 S -","- C34 H28 Cl2 N6 O8 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.06","0.0424","","","0.1163","0.1335","","","","","","1.094","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207179","29.002","0.003","8.6295","0.0009","16.5593","0.0018","90","","113.948","0.002","90","","3787.6","0.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6-methanesulfonyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O4 S2 -","- C18 H17 Cl N2 O4 S2 -","- C144 H136 Cl8 N16 O32 S16 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.052","0.0388","","","0.1022","0.1178","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207180","15.8708","0.0006","15.8708","0.0006","24.2726","0.0016","90","","90","","120","","5294.7","0.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 K6 N2 O39 Pb6 -","- C80 H59.94 K6 N2 O39 Pb6 -","- C160 H119.88 K12 N4 O78 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0381","0.0366","","","0.1102","0.1115","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207181","16.0334","0.0001","16.0334","0.0001","24.3028","0.001","90","","90","","120","","5410.5","0.2","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 N2 O39 Pb6 Rb6 -","- C80 H59.94 N2 O39 Pb6 Rb6 -","- C160 H119.88 N4 O78 Pb12 Rb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0493","0.0476","","","0.1536","0.1543","","","","","","1.082","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207182","16.231","0.003","16.231","0.003","24.466","0.005","90","","90","","120","","5581.9","1.9","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 Cs6 N2 O39 Pb6 -","- C80 H59.94 Cs6 N2 O38.99 Pb6 -","- C160 H119.88 Cs12 N4 O77.98 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0622","0.0615","","","0.2397","0.2407","","","","","","1.014","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207183","13.5107","0.0016","23.38","0.003","5.8727","0.0007","90","","90","","90","","1855.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28 H24 K2 O16 Pb S2 -","- C28 H20 K2 O16 Pb S2 -","- C56 H40 K4 O32 Pb2 S4 -","2","0.25","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0684","0.0599","","","0.1968","0.2034","","","","","","1.093","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207184","11.3401","0.0005","25.0935","0.001","22.874","0.0011","90","","96.895","0.004","90","","6462","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C192 H152 Cs8 N8 O80 Pb8 S12 -","4","1","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0876","0.0769","","","0.2212","0.2345","","","","","","1.024","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207185","6.869","0.002","12.205","0.005","15.661","0.005","88.608","0.009","78.867","0.01","85.617","0.008","1284.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0636","0.0524","","","0.1358","0.1449","","","","","","1.062","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207186","20.585","0.006","5.2382","0.0016","12.441","0.004","90","","90.471","0.004","90","","1341.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0845","0.0691","","","0.2044","0.2275","","","","","","1.091","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207187","5.5787","0.0012","27.608","0.007","16.771","0.004","90","","90","","90","","2583","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C136 H88 O16 S8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.1169","0.0728","","","0.1658","0.1962","","","","","","0.977","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207188","12.774","0.004","16.152","0.005","21.355","0.007","90","","101.427","0.004","90","","4319","2","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.1428","0.0916","","","0.1768","0.2041","","","","","","1.114","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207189","12.836","0.008","16.215","0.009","21.46","0.013","90","","101.817","0.01","90","","4372","5","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.4 H60 N4 O4.8 -","- C44.4 H60 N4 O4.8 -","- C177.6 H240 N16 O19.2 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.2393","0.1433","","","0.3704","0.4355","","","","","","1.213","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207190","6.8976","0.0004","36.792","0.002","8.2696","0.0005","90","","106.286","0.003","90","","2014.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 Cu N4 O2 -","- C36 H62 Cl4 Cu N4 O2 -","- C72 H124 Cl8 Cu2 N8 O4 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","0.71073","MoKα","","0.0523","0.0353","","","0.0852","0.1287","","","","","","1.096","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207191","6.8484","0.0003","36.7066","0.0014","8.289","0.0003","90","","105.25","0.002","90","","2010.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 N4 O2 Zn -","- C36 H62 Cl4 N4 O2 Zn -","- C72 H124 Cl8 N8 O4 Zn2 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","1.54178","CuKα","","0.0286","0.0277","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207192","10.1143","0.0005","20.9362","0.0013","14.6323","0.0007","90","","104.153","0.001","90","","3004.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 I N2 S -","- C14 H17 I N2 S -","- C112 H136 I8 N16 S8 -","8","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0285","0.0219","","","0.0452","0.0467","","","","","","1.038","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207193","9.621","0.007","15.234","0.011","13.948","0.01","90","","93.849","0.014","90","","2040","3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 S2 -","- C20 H24 N2 O5 S2 -","- C80 H96 N8 O20 S8 -","4","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0713","0.0637","","","0.1321","0.1368","","","","","","1.091","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207194","7.965","0.003","16.675","0.005","17.439","0.006","90","","100.69","0.005","90","","2276","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S2 -","- C22 H27 N3 O4 S2 -","- C88 H108 N12 O16 S8 -","4","1","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0657","0.0562","","","0.1501","0.1561","","","","","","1.162","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207195","6.9177","0.0005","7.2342","0.0004","12.4632","0.001","78.221","0.002","89.685","0.002","64.885","0.005","550.53","0.07","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","HT18A","","","- C9 H10 Co O9 -","- C9 H10 Co O9 -","- C18 H20 Co2 O18 -","2","1","","Chung, Huey-Ting; Yang, Chen-I; Yang, En-Che; Peng, Chia-Chien; Tsai, Hui-Lien; Liu, Yen-Hsiang","Metamagnetic behavior and moisture-absorption induced reversible network assembly of a cobalt-1,2,4-benzenetricarboxylate supramolecular network","CrystEngComm","2012","14","4","1317","","10.1039/c1ce06182h","","x-ray","0.71073","MoKα","","0.108","0.0896","","","0.2266","0.2399","","","","","","1.158","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207196","16.125","0.003","25.632","0.005","30.125","0.006","90","","95.55","0.03","90","","12393","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C202 H324 Ca4 Cu6 N16 O49 S10 -","- C204 H312 Ca4 Cu6 N16 O49 S10 -","- C408 H624 Ca8 Cu12 N32 O98 S20 -","2","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.1236","0.1131","","","0.359","0.3768","","","","","","1.637","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207197","17.731","0.004","15.981","0.003","28.505","0.006","90","","90","","90","","8077","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Cu2 N6 O14 S2 Sr -","- C76 H120 Cu2 N6 O14 S2 Sr -","- C304 H480 Cu8 N24 O56 S8 Sr4 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0579","0.0551","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207198","18.512","0.004","15.92","0.003","27.967","0.006","90","","90","","90","","8242","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Ba Cu2 N6 O14 S2 -","- C76 H120 Ba Cu2 N6 O14 S2 -","- C304 H480 Ba4 Cu8 N24 O56 S8 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0933","0.0849","","","0.2494","0.2585","","","","","","1.09","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207199","8.375","0.004","11.257","0.005","15.807","0.006","69.947","0.007","75.476","0.007","84.278","0.007","1355","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N6 O9 -","- C27 H27 N6 O9 -","- C54 H54 N12 O18 -","2","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0886","0.0637","","","0.1807","0.2101","","","","","","1.028","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207200","14.348","0.012","8.033","0.007","35.93","0.03","90","","90","","90","","4141","6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N9 O9 -","- C15 H21 N9 O9 -","- C120 H168 N72 O72 -","8","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.1666","0.072","","","0.1182","0.1513","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207201","8.6775","0.0007","15.7719","0.0012","10.9612","0.0008","90","","96.066","0.001","90","","1491.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0466","0.0393","","","0.1062","0.1121","","","","","","1.06","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207202","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207203","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207204","10.92","0.002","20.369","0.004","19.792","0.004","90","","99.59","0.03","90","","4340.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7388","synchrotron","","0.0472","0.0453","","","0.1302","0.1327","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207205","25.745","0.006","9.538","0.002","3.9843","0.001","90","","95.716","0.004","90","","973.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H5 Br2 Cu2 N2 -","- C7 H5 Br2 Cu2 N2 -","- C28 H20 Br8 Cu8 N8 -","4","0.5","","Feng, Sisi; Lv, Haigang; Li, Zhongping; Feng, Guoqin; Lu, Liping; Zhu, Miaoli","The first example of rhombic dodecahedral CuBr clusters in a novel mixed-valence Cu(i,ii)‒benzimidazole complex","CrystEngComm","2012","14","1","98","","10.1039/c1ce06215h","","","0.71073","MoKα","","0.081","0.057","","","0.1604","0.19","","","","","","1.127","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207206","8.031","0.002","8.682","0.002","19.335","0.005","98.961","0.006","93.476","0.011","99.983","0.007","1306.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","poly(tricadmium bis(1,2-bis(imidazol-1'-yl)ethane) (1,4- bis((pyridinium-4-carboxylate)methyl)benzene) (u-Br)tetrabromide bis(N,N-Dimethylformamide))","","","- C21 H25 Br3 Cd1.5 N6 O3 -","- C21 H25 Br3 Cd1.5 N6 O3 -","- C42 H50 Br6 Cd3 N12 O6 -","2","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0351","0.0283","","","0.0685","0.0721","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207207","16.592","0.005","10.452","0.003","16.77","0.005","90","","90.42","0.007","90","","2908.2","1.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","poly(Dicadmium bis(1,4-bis(imidazol-1'-yl)butane)bis(u-bromide)dibromide)","","","- C20 H28 Br4 Cd2 N8 O0 -","- C20 H28 Br4 Cd2 N8 -","- C80 H112 Br16 Cd8 N32 -","4","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0548","0.0383","","","0.0825","0.0901","","","","","","1.07","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207208","18.9009","0.0005","18.9009","0.0005","10.257","0.0003","90","","90","","90","","3664.25","0.17","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C22 H26 Be4 N2 O16 -","- C18 H10 Be4 O16 -","- C72 H40 Be16 O64 -","4","0.25","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.1312","0.0799","","","0.2405","0.2676","","","","","","1.024","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207209","19.305","0.0002","19.305","0.0002","19.305","0.0002","90","","90","","90","","7194.65","0.13","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C48 H60 Be3 N6 O24 -","- C36 H12 Be3 O24 -","- C144 H48 Be12 O96 -","4","0.0833333","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.078","0.0711","","","0.2169","0.2216","","","","","","1.234","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207210","23.695","0.009","8.371","0.003","15.078","0.006","90","","98.54","0.04","90","","2958","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C80 H144 N16 O16 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0622","0.0386","","","0.086","0.0908","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207211","7.697","0.002","8.166","0.002","12.5","0.004","73.39","0.02","79.86","0.02","80.27","0.02","735.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0296","0.0271","","","0.0708","0.0718","","","","","","1.109","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207212","8.511","","23.619","0.009","19.907","0.009","90","","109.35","0.04","90","","3776","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 N4 O4 P2 S4 -","- C30 H49 N4 O4 P2 S4 -","- C120 H196 N16 O16 P8 S16 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1617","0.0859","","","0.1684","0.1819","","","","","","1.123","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207213","21.051","0.011","15.013","0.008","15.837","0.008","90","","131.65","0.03","90","","3740","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.83 H41.66 Cl1.67 N4 O5 P2 S4 -","- C26.833 H41.664 Cl1.666 N4 O5 P2 S4 -","- C107.332 H166.656 Cl6.664 N16 O20 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1396","0.074","","","0.2027","0.2232","","","","","","0.985","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207214","45.212","0.002","8.3601","0.0004","19.7758","0.002","90","","105.821","0.007","90","","7191.6","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H54 N4 O4 P2 S4 -","- C27 H54 N4 O4 P2 S4 -","- C216 H432 N32 O32 P16 S32 -","8","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0804","0.0662","","","0.1638","0.1732","","","","","","1.047","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207215","8.307","0.003","16.535","0.006","20.361","0.007","90","","105.04","0.02","90","","2700.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 N4 O4 S2 -","- C25 H26 Cl2 N4 O4 S2 -","- C100 H104 Cl8 N16 O16 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0698","0.0515","","","0.1525","0.1604","","","","","","1.086","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207216","8.651","0.0017","8.653","0.0017","8.658","0.0017","61.51","0.03","61.51","0.03","61.51","0.03","473.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Ag3 N7 -","- C5 H4 Ag3 N7 -","- C10 H8 Ag6 N14 -","2","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0533","0.0452","","","0.1001","0.1027","","","","","","1.222","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207217","14.331","0.002","8.8966","0.0014","14.657","0.002","90","","103.572","0.002","90","","1816.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Ag3 N7 -","- C13 H20 Ag3 N7 -","- C52 H80 Ag12 N28 -","4","0.5","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0265","0.024","","","0.052","0.0541","","","","","","1.071","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207218","9.134","0.004","18.973","0.007","15.354","0.006","90","","91.718","0.006","90","","2659.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Ag4 N8 -","- C18 H28 Ag4 N8 -","- C72 H112 Ag16 N32 -","4","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.1117","0.0586","","","0.1508","0.2015","","","","","","1.024","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207219","16.821","0.005","10.432","0.003","27.753","0.009","90","","90","","90","","4870","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H28 Ag3 N7 -","- C17 H28 Ag3 N7 -","- C136 H224 Ag24 N56 -","8","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0987","0.0697","","","0.195","0.2178","","","","","","1.108","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207220","6.285","0.0003","8.3874","0.0004","27.2578","0.0013","90","","90","","90","","1436.89","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71073","MoKα","","0.0354","0.0337","","","0.0883","0.0896","","","","","","1.1","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207221","9.607","0.002","5.9725","0.0014","13.838","0.004","90","","110.434","0.003","90","","744","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0479","0.0463","","","0.1182","0.1198","","","","","","1.046","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7207222","12.633","0.002","6.0545","0.0011","31.019","0.006","90","","102.008","0.003","90","","2320.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0467","0.042","","","0.1104","0.1147","","","","","","1.059","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207223","8.9656","0.0018","9.0023","0.0018","10.242","0.002","86.35","0.03","74.79","0.03","81.44","0.03","788.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cd N3 O8 -","- C13 H13 Cd N3 O8 -","- C26 H26 Cd2 N6 O16 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0256","0.0219","","","0.0641","0.066","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207224","8.4601","0.0005","10.0552","0.0006","12.9572","0.0007","68.863","0.004","84.699","0.004","87.698","0.004","1023.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cd N5 O7 -","- C18 H17 Cd N5 O7 -","- C36 H34 Cd2 N10 O14 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0707","0.0681","","","0.1881","0.192","","","","","","1.01","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207225","9.4852","0.0019","11.06","0.002","11.768","0.002","90.17","0.03","93.31","0.03","101.11","0.03","1209.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N4 O14 Zn2 -","- C21 H12 N4 O14 Zn2 -","- C42 H24 N8 O28 Zn4 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0487","0.0373","","","0.1136","0.1251","","","","","","0.997","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207226","12.2062","0.0006","14.1995","0.0007","15.5626","0.0008","65.057","0.002","82.427","0.002","66.15","0.002","2234.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N6 O28 Zn5 -","- C37 H24 N6 O28 Zn5 -","- C74 H48 N12 O56 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0288","0.0246","","","0.0623","0.0644","","","","","","1.04","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207227","12.608","0.004","14.324","0.005","15.693","0.005","63.256","0.004","81.245","0.004","64.466","0.003","2280.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 N6 O29 Zn5 -","- C37 H26 N6 O29 Zn5 -","- C74 H52 N12 O58 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.056","0.0413","","","0.1091","0.1201","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207228","34.433","0.012","12.141","0.003","30.332","0.008","90","","106.958","0.007","90","","12129","6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H120 N16 Na8 Ni4 O48 -","- C108 H90 N16 Na8 Ni4 O48 -","- C432 H360 N64 Na32 Ni16 O192 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0917","0.0806","","","0.2","0.2068","","","","","","1.141","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207229","15.932","0.003","8.8699","0.0019","19.24","0.004","90","","91.679","0.004","90","","2717.7","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 Ni O11 -","- C26 H20 Fe N4 Ni O11 -","- C104 H80 Fe4 N16 Ni4 O44 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0509","0.0481","","","0.1434","0.1455","","","","","","1.065","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207230","15.3667","0.001","9.0896","0.0006","24.9074","0.0012","90","","126.332","0.003","90","","2802.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 Ni2 O12 -","- C26 H26 N4 Ni2 O12 -","- C104 H104 N16 Ni8 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0349","0.0276","","","0.0688","0.0726","","","","","","1.038","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207231","8.9653","0.0018","15.482","0.003","19.932","0.004","90.78","0.03","91.84","0.03","91.97","0.03","2763.2","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 N8 Ni2 O26 Zn2 -","- C48 H52 N8 Ni2 O26 Zn2 -","- C96 H104 N16 Ni4 O52 Zn4 -","2","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.1016","0.062","","","0.1398","0.1735","","","","","","1.074","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207232","11.1075","0.0017","14.004","0.002","19.542","0.003","90","","92.756","0.003","90","","3036.2","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd N6 Ni O10 -","- C30 H30 Cd N6 Ni O10 -","- C120 H120 Cd4 N24 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0275","0.0221","","","0.0563","0.0581","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207233","11.3958","0.0017","18.9334","0.0017","22.595","0.003","90","","96.522","0.003","90","","4843.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 Cd2 N8 Ni2 O15 -","- C52 H36 Cd2 N8 Ni2 O15 -","- C208 H144 Cd8 N32 Ni8 O60 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0613","0.0499","","","0.0968","0.1032","","","","","","1.11","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207234","9.3129","0.0004","13.062","0.0005","18.7085","0.0007","79.439","0.002","84.354","0.002","69.584","0.002","2095.25","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C62 H92 Cl4 N8 Ni2 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Influence of CH2Cl2 for the structure stabilization of the NiII complex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2","CrystEngComm","2012","14","2","370","","10.1039/c1ce06322g","","","0.71073","MoKα","","0.0522","0.0333","","","0.0825","0.0919","","","","","","1.015","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207235","14.384","0.005","14.384","0.005","15.215","0.005","90","0.005","90","0.005","120","0.005","2726.2","1.6","98","2","98","2","","","","","","","","7","P 63","P 6c","173","","","","- C34 H42 B4 Cu4 F16 N12 O6 -","- C34 H42 B4 Cu4 F16 N12 O6 -","- C68 H84 B8 Cu8 F32 N24 O12 -","2","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71069","MoKα","","0.0703","0.0685","","","0.1917","0.1941","","","","","","1.074","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207236","18.673","0.003","18.673","0.003","18.673","0.003","90","","90","","90","","6510.9","1.8","118","2","118","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C24 H18 Cu3 F9 N12 Si2 -","- C24 H18 Cu3 F9.04 N12 Si1.5 -","- C192 H144 Cu24 F72.32 N96 Si12 -","8","0.166667","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0727","0.0726","","","0.1728","0.1729","","","","","","1.422","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207237","14.897","0.009","5.819","0.003","17.441","0.01","90","","107.581","0.006","90","","1441.3","1.4","117","2","117","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cu2 N6 O6 -","- C10 H10 Cu2 N6 O6 -","- C40 H40 Cu8 N24 O24 -","4","1","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71073","MoKα","","0.0434","0.0317","","","0.0686","0.0718","","","","","","1.099","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207238","20.8073","0.0009","13.2133","0.0018","15.3486","0.0011","90","","132.126","0.002","90","","3129.7","0.5","108","2","108","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl3 Cu3 N8 O12 -","- C20 H20 Cl3 Cu3 N8 O12 -","- C80 H80 Cl12 Cu12 N32 O48 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.087","0.057","","","0.132","0.1475","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207239","20.8286","0.0007","12.9965","0.0005","15.3593","0.0005","90","","132.566","0.001","90","","3062.17","0.19","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B3 Cu3 F12 N8 -","- C20 H20 B3 Cu3 F12 N8 -","- C80 H80 B12 Cu12 F48 N32 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0418","0.0326","","","0.0719","0.0761","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207240","25.317","0.012","9.877","0.005","26.864","0.012","90","","104.382","0.016","90","","6507","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 Ag2 N8 O7 -","- C30 H33 Ag2 N8 O7 -","- C240 H264 Ag16 N64 O56 -","8","1","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0755","0.0671","","","0.164","0.1698","","","","","","1.102","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207241","18.193","0.008","11.273","0.005","8.606","0.004","90","","91.271","0.008","90","","1764.6","1.4","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 Ag2 N8 O6 -","- C36 H41 Ag2 N8 O6 -","- C72 H82 Ag4 N16 O12 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0595","0.0543","","","0.1233","0.1262","","","","","","1.155","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207242","11.8301","0.0005","5.5761","0.0002","22.7922","0.0009","90","","100.493","0.002","90","","1478.36","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.9 Ca O6.45 S -","- C14 H8.9 Ca O6.45 S -","- C56 H35.6 Ca4 O25.8 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0488","0.0393","","","0.1261","0.1342","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207243","12.1722","0.0005","5.7277","0.0002","22.9034","0.0009","90","","98.857","0.002","90","","1577.75","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.4 O6.2 S Sr -","- C14 H8.4 O6.2 S Sr -","- C56 H33.6 O24.8 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0445","0.0316","","","0.0917","0.0976","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207244","11.7361","0.001","5.5499","0.0004","22.819","0.0018","90","","100.999","0.004","90","","1459","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S -","- C14 H8 Ca O6 S -","- C56 H32 Ca4 O24 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0596","0.0428","","","0.1072","0.117","","","","","","1.037","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207245","12.1704","0.0005","5.7317","0.0003","22.8977","0.0009","90","","98.851","0.002","90","","1578.26","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O6 S Sr -","- C14 H8 O6 S Sr -","- C56 H32 O24 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0566","0.0344","","","0.0952","0.1057","","","","","","1.057","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207246","3.86154","0.00009","22.1115","0.0007","27.1691","0.0007","67.429","0.003","88.114","0.002","87.127","0.002","2139.2","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Br3 N3 -","- C39 H24 Br3 N3 -","- C78 H48 Br6 N6 -","2","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.1685","0.1229","","","0.3324","0.3607","","","","","","1.118","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207247","39.9115","0.0007","3.86753","0.00007","46.725","0.0007","90","","103.615","0.0015","90","","7009.8","0.2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.77 H31.21 Br3 N3 -","- C44.768 H31.21 Br3 N3 -","- C358.144 H249.68 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0886","0.0805","","","0.2533","0.2623","","","","","","1.034","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207248","39.8459","0.0011","3.8434","0.0001","46.6728","0.0018","90","","104.398","0.001","90","","6923.2","0.4","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C43.8 H29.49 Br3 N3 -","- C43.802 H29.488 Br3 N3 -","- C350.416 H235.904 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0881","0.0581","","","0.1421","0.1567","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207249","7.8884","0.0016","9.6713","0.0019","25.38","0.005","82.76","0.03","89.58","0.02","68.29","0.03","1783","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0937","0.0517","","","0.1413","0.1834","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207250","7.8201","0.0014","9.6697","0.0018","25.351","0.005","82.651","0.003","89.211","0.003","68.329","0.003","1765.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0719","0.0524","","","0.1507","0.1663","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207251","15.262","0.003","13.046","0.003","13.058","0.003","90","","102.54","0.03","90","","2537.9","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cu N10 O5 -","- C22 H26 Cu N10 O5 -","- C88 H104 Cu4 N40 O20 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Huang, Yun-Chieh; Lu, Kuang-Lieh","Hydrogen bond-organized two-fold interpenetrating homochiral pcu net","CrystEngComm","2012","14","4","1189","","10.1039/c2ce06055h","","","0.71073","MoKα","","0.0739","0.0456","","","0.0931","0.112","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207252","29.5578","0.0014","10.5995","0.0006","7.5118","0.0004","90","","91.337","0.004","90","","2352.8","0.2","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H16 N6 O7 Pb -","- C14 H16 N6 O7 Pb -","- C56 H64 N24 O28 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Microwave assisted synthesis of a new lead(ii) porous three-dimensional coordination polymer: study of nanostructured size effect on high iodide adsorption affinity","CrystEngComm","2012","14","3","779","","10.1039/c2ce06133c","","","0.71073","MoKα","","0.0777","0.0455","","","0.094","0.1015","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207253","12.164","0.007","19.0805","0.0011","16.115","0.007","90","","125.95","0.03","90","","3028","2","225","2","225","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly-(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxobutanato) (2-)- N,N',O$3,O!3')(bis(4-pyridylmethyl)sulfide)iron(ii)","poly-(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxobutanato] (2-)-N,N',O^3,O^3'}(bis(4-pyridylmethyl)sulfide)iron(II)","","- C32 H34 Fe N4 O6 S -","- C32 H34 Fe N4 O6 S -","- C128 H136 Fe4 N16 O24 S4 -","4","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0571","0.0363","","","0.0903","0.1097","","","","","","1.064","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207254","18.8103","0.0009","16.0825","0.0007","25.3728","0.0013","90","","90","","90","","7675.7","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]LS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0625","0.0324","","","0.0723","0.0771","","","","","","0.879","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207255","19.2017","0.0005","16.2729","0.0008","25.7799","0.0015","90","","90","","90","","8055.4","0.6","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]HS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0815","0.0346","","","0.0741","0.0815","","","","","","0.823","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207256","15.3011","0.0012","20.084","0.002","25.52","0.0019","90","","90","","90","","7842.5","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu3 N6 O16 -","- C81 H68 Cu3 N6 O16 -","- C324 H272 Cu12 N24 O64 -","4","1","","Liu, Juan; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Homochiral assembly of polycatenated bilayers with mixing achiral ligands","CrystEngComm","2012","14","3","789","","10.1039/c2ce06297f","","","0.71073","MoKα","","0.1279","0.068","","","0.175","0.1955","","","","","","0.983","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207257","17.6497","0.0002","17.6497","0.0002","34.498","0.0005","90","","90","","120","","9306.8","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H66 Cu3 N6 O12 P3 S6 -","- C45 H66 Cu3 N6 O12 P3 S6 -","- C270 H396 Cu18 N36 O72 P18 S36 -","6","0.333333","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0473","0.032","","","0.0899","0.096","","","","","","1.058","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207258","27.4538","0.0009","27.4538","0.0009","10.7505","0.0004","90","","90","","90","","8102.8","0.5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C60 H88 Ag4 N8 O16 P4 S8 -","- C60 H88 Ag4 N8 O16 P4 S8 -","- C240 H352 Ag16 N32 O64 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0791","0.0551","","","0.1237","0.1374","","","","","","1.049","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207259","11.8107","0.0004","19.7508","0.0005","27.3802","0.001","90","","90.034","0.003","90","","6387","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cu3 N6 O12 P3 S6 -","- C48 H72 Cu3 N6 O12 P3 S6 -","- C192 H288 Cu12 N24 O48 P12 S24 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0593","0.0505","","","0.1353","0.1406","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207260","21.14","0.004","14.841","0.003","25.156","0.005","90","","96.507","0.002","90","","7842","3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C304 H328 F24 N24 O60 P8 Pd4 S8 -","4","1","","Guha, Samit; Goodson, Flynt S.; Clark, Ronald J.; Saha, Sourav","Deciphering anion‒π-acceptor interactions and detecting fluoride using a naphthalenediimide-based Pd(ii) coordination polymer","CrystEngComm","2012","14","4","1213","","10.1039/c2ce06363h","","","0.71073","MoKα","","0.1154","0.0987","","","0.2443","0.2541","","","","","","1.161","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207261","8.8709","0.0018","30.672","0.006","13.972","0.003","90","","117.065","0.01","90","","3385.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 Cl N9 O12 Pb4 -","- C30 H14 Cl N9 O12 Pb4 -","- C120 H56 Cl4 N36 O48 Pb16 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Pan, Mei; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","An unprecedented (3,4,14)-connected 3D metal‒organic framework based on planar octanuclear lead(ii) clusters as a secondary building unit","CrystEngComm","2012","14","4","1193","","10.1039/c2ce06378f","","","0.71073","MoKα","","0.0817","0.0469","","","0.0915","0.1039","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207262","10.6142","0.0002","5.8945","0.0001","11.1109","0.0002","90","","90.093","0.002","90","","695.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0371","0.033","","","0.0832","0.0843","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207263","22.438","0.001","7.1267","0.0002","16.9373","0.0007","90","","117.532","0.006","90","","2401.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0828","0.0477","","","0.1073","0.1136","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207264","11.883","0.0002","14.6412","0.0003","15.4699","0.0003","90","","108.565","0.002","90","","2551.42","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.083","0.0464","","","0.1048","0.1111","","","","","","1.007","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207265","9.0829","0.0002","8.4907","0.0002","14.0688","0.0003","90","","96.172","0.002","90","","1078.7","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0842","0.0549","","","0.1472","0.1552","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207266","20.0779","0.0008","6.228","0.0003","7.2121","0.0003","90","","100.161","0.004","90","","887.69","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0976","0.0538","","","0.1122","0.1209","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207267","8.1408","0.0002","10.6093","0.0002","15.5627","0.0003","90","","95.408","0.002","90","","1338.14","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0595","0.0448","","","0.0932","0.0963","","","","","","1.005","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207268","6.5117","0.0001","10.3653","0.0002","21.8661","0.0004","90","","90","","90","","1475.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0931","0.0572","","","0.1037","0.1142","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207269","5.8452","0.0003","9.3279","0.0003","12.1599","0.0006","109.289","0.004","99.692","0.004","93.069","0.004","612.59","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 Cl3 O3 -","- C13 H7 Cl3 O3 -","- C26 H14 Cl6 O6 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0373","0.0282","","","0.0729","0.0747","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207270","7.8319","0.0002","12.3938","0.0005","24.6888","0.0007","90","","90","","90","","2396.47","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.09","0.0716","","","0.1627","0.1722","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207271","7.5217","0.0002","15.7302","0.0004","9.087","0.0002","90","","90","","90","","1075.15","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0604","0.044","","","0.0913","0.0945","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207272","10.7746","0.0004","15.6168","0.0005","6.1107","0.0002","90","","98.201","0.003","90","","1017.7","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0994","0.0513","","","0.0924","0.0976","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207273","7.62","0.002","20.963","0.006","9.876","0.003","90","","90","","90","","1577.6","0.8","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 H9 Cd Cl N6 O -","- C6 H8 Cd Cl N6 O -","- C24 H32 Cd4 Cl4 N24 O4 -","4","0.25","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.7107","MoKα","","0.0563","0.0544","","","0.2019","0.2036","","","","","","1.091","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207274","18.912","0.0018","7.5956","0.0008","13.8924","0.0014","90","","90","","90","","1995.6","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Cd2 Cl2 N12 O0.5 -","- C10 H8 Cd2 Cl2 N12 O0.5 -","- C40 H32 Cd8 Cl8 N48 O2 -","4","0.5","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.71075","MoKα","","0.0639","0.0545","","","0.1649","0.173","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207275","11.5383","0.0005","11.7825","0.0003","16.8252","0.0008","90","","96.236","0.002","90","","2273.85","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Fe N4 O4 -","- C50 H66 Fe N4 O4 -","- C100 H132 Fe2 N8 O8 -","2","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.71073","MoKα","","0.0792","0.0478","","","0.0994","0.1137","","","","","","0.959","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207276","16.2731","0.0002","17.5849","0.0003","21.4064","0.0002","90","","90","","90","","6125.67","0.14","173","2","173","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C58 H97 Fe N5 O8 -","- C58 H97 Fe N5 O8 -","- C232 H388 Fe4 N20 O32 -","4","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.7107","MoKα","","0.0899","0.0703","","","0.1582","0.1713","","","","","","1.035","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207277","12.5838","0.0004","19.5656","0.0005","25.605","0.0006","99.792","0.002","90.436","0.002","97.756","0.002","6152.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H220 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","1","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.1601","0.0674","","","0.1494","0.1759","","","","","","0.919","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207278","14.7534","0.0004","16.3686","0.0004","22.2983","0.0006","101.659","0.002","101.396","0.002","96.649","0.002","5101.3","0.2","100","","100","","","","","","","","TKI173A sample","5","P -1","-P 1","2","","","","- C83.7 H100.8 Mn9 N9 O42.2 -","- C79.7 H83.8 Mn9 N9 O37.2 -","- C159.4 H167.6 Mn18 N18 O74.4 -","2","1","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.116","0.0744","","0.016","0.0128","0.0128","","","","","","0.8617","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207324","19.39","0.004","11.906","0.003","12.766","0.003","90","","90","","90","","2947.1","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H29 Br Co N6 O5 -","- C29 H29 Br Co N6 O5 -","- C116 H116 Br4 Co4 N24 O20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0663","0.0512","","","0.1233","0.13","","","","","","1.009","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207325","13.3734","0.0013","16.6806","0.0016","16.815","0.0015","111.657","0.001","97.436","0.001","102.73","0.001","3307.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58.46 Br3 Co3 N12 O12.73 -","- C66 H58.456 Br3 Co3 N12 O12.728 -","- C132 H116.912 Br6 Co6 N24 O25.456 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0738","0.0476","","","0.119","0.1309","","","","","","1.066","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207326","24.2834","0.0009","20.5803","0.0009","12.6997","0.0004","90","","90","","90","","6346.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C28 H26 N4 Ni O8 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.1261","0.0534","","","0.0886","0.1004","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207327","10.1202","0.0016","10.883","0.0017","13.409","0.002","70.501","0.002","87.561","0.003","76.947","0.003","1355.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27.76 N4 Ni O7.38 S -","- C28 H24 N4 Ni O7.383 S -","- C56 H48 N8 Ni2 O14.766 S2 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0444","0.0375","","","0.0877","0.0902","","","","","","1.04","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207328","10.081","0.002","22.229","0.004","9.462","0.0019","90","","114.5","0.03","90","","1929.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H14 Ag Ho N4 O11 -","- C18 H14 Ag Ho N4 O11 -","- C72 H56 Ag4 Ho4 N16 O44 -","4","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71073","MoKα","","0.0217","0.0213","","","0.0525","0.0527","","","","","","0.973","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207329","7.732","0.003","12.238","0.005","12.394","0.004","81.707","0.013","71.83","0.02","89.722","0.009","1101.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H9 Ag Eu N4 O13 -","- C18 H9 Ag Eu N4 O13 -","- C36 H18 Ag2 Eu2 N8 O26 -","2","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71075","MoKα","","0.1257","0.0814","","","0.1647","0.1956","","","","","","1.079","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207330","12.204","0.001","8.196","0.001","18.415","0.002","90","","105.23","0.01","90","","1777.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag2 N8 O7 -","- C12 H14 Ag2 N8 O7 -","- C48 H56 Ag8 N32 O28 -","4","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0529","0.0361","","","0.0837","0.0901","","","","","","1.044","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207331","12.2275","0.0007","21.7867","0.0013","7.0262","0.0004","90","","90","","90","","1871.76","0.19","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C14 H12 Ag2 N8 S2 -","- C14 H12 Ag2 N8 S2 -","- C56 H48 Ag8 N32 S8 -","4","","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0537","0.0551","","","","","","1.06","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207332","5.8963","0.0004","7.1928","0.0004","10.9481","0.0007","73.61","0.001","86.576","0.001","87.068","0.001","444.37","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0189","0.0185","","","0.0493","0.0496","","","","","","1.056","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207333","4.1197","0.0002","8.0163","0.0004","12.4386","0.0008","91.739","0.003","94.104","0.003","94.716","0.003","408.07","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0165","0.0161","","","0.0416","0.0419","","","","","","1.103","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207334","9.3233","0.001","10.1051","0.0011","23.432","0.002","78.751","0.001","79.329","0.001","76.21","0.001","2080.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 N6 O9 Zn2 -","- C44 H43 N6 O9 Zn2 -","- C88 H86 N12 O18 Zn4 -","2","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0428","0.0329","","","0.0807","0.0859","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207335","9.0907","0.0009","11.4058","0.0011","12.0885","0.0012","79.066","0.001","84.264","0.001","77.018","0.001","1197.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0285","0.0254","","","0.0692","0.0704","","","","","","1.071","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207336","9.876","0.001","11.3027","0.0011","12.0107","0.0012","77.3","0.001","81.594","0.001","66.021","0.001","1192.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0296","0.0264","","","0.0732","0.0746","","","","","","1.068","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207337","7.6366","0.0007","15.5557","0.0014","15.0141","0.0014","90","","90.395","0.001","90","","1783.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1182","0.0989","","","0.2711","0.2891","","","","","","1.054","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207338","14.428","0.002","7.4072","0.0012","33.289","0.005","90","","91.483","0.002","90","","3556.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C184 H168 N16 O16 -","8","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1664","0.0723","","","0.1172","0.1407","","","","","","0.961","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207339","9.9817","0.0002","7.3687","0.0001","25.0583","0.0005","90","","94.737","0.001","90","","1836.8","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C92 H84 N8 O8 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0451","0.0386","","","0.1035","0.1101","","","","","","1.051","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207340","15.354","0.0003","7.5164","0.0002","18.7218","0.0004","90","","97.967","0.0013","90","","2139.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 F6 N4 O4 -","- C52 H42 F6 N4 O4 -","- C104 H84 F12 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0632","0.0508","","","0.129","0.1371","","","","","","1.022","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207341","10.322","0.005","7.181","0.003","24.037","0.011","90","","98.018","0.006","90","","1764.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O1.097 -","- C92 H84 N8 O4.388 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.064","0.0453","","","0.1054","0.1155","","","","","","1.031","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207342","17.376","0.0014","17.376","0.0014","10.304","0.0017","90","","90","","90","","3111","0.6","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C96 H48 Cl32 O16 Tl16 -","16","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0361","0.0291","","","0.0615","0.0636","","","","","","1.113","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207343","30.758","0.015","3.8153","0.0018","16.345","0.007","90","","122.1","0.001","90","","1624.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cl3 O Tl -","- C6 H2 Cl3 O Tl -","- C48 H16 Cl24 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0177","0.0172","","","0.0474","0.0479","","","","","","1","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207344","10.3447","0.0012","19.514","0.002","6.392","0.0007","90","","90","","90","","1290.3","0.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 F O Tl -","- C6 H4 F O Tl -","- C48 H32 F8 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0339","0.0282","","","0.0713","0.074","","","","","","1.094","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207345","19.8127","0.0014","7.6404","0.0005","14.2901","0.0017","90","","132.817","0.003","90","","1586.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H12 Cl8 O4 Tl4 -","- C24 H12 Cl8 O4 Tl4 -","- C48 H24 Cl16 O8 Tl8 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0894","0.0831","","","0.2073","0.2133","","","","","","1.086","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7207346","3.8883","0.0004","19.8849","0.0019","9.7499","0.0008","90","","94.92","0.005","90","","751.07","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C24 H12 Cl8 O4 Tl4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0168","0.015","","","0.0347","0.0353","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207347","14.1678","0.0007","14.1678","0.0007","7.0565","0.0007","90","","90","","90","","1416.43","0.17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H16 Cl4 O4 Tl4 -","- C24 H16 Cl4 O4 Tl4 -","- C48 H32 Cl8 O8 Tl8 -","2","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0322","0.0314","","","0.0724","0.0727","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207348","10.0853","0.0005","15.7875","0.0008","10.31","0.0005","90","","104.334","0.002","90","","1590.47","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 I4 O4 Tl4 -","- C24 H16 I4 O4 Tl4 -","- C48 H32 I8 O8 Tl8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0297","0.0269","","","0.0573","0.0582","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207349","17.4773","0.0007","17.4773","0.0007","10.2912","0.0002","90","","90","","90","","3143.51","0.19","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H12 Br4 Cl4 O4 Tl4 -","- C24 H12 Br4 Cl4 O4 Tl4 -","- C96 H48 Br16 Cl16 O16 Tl16 -","4","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0542","0.0326","","","0.0778","0.1142","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207350","15.1961","0.0004","15.0703","0.0004","26.0915","0.0007","90","","90","","90","","5975.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Cl4 F4 O4 Tl4 -","- C24 H12 Cl4 F4 O4 Tl4 -","- C192 H96 Cl32 F32 O32 Tl32 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0478","0.0281","","","0.0616","0.0722","","","","","","0.996","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207351","18.164","0.002","14.237","0.002","8.9017","0.0013","90","","109.17","0.007","90","","2174.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C28 H34 Ag2 B2 F8 N8 O5 S6 -","- C28 H24 Ag2 B2 F8 N8 O4.998 S6 -","- C56 H48 Ag4 B4 F16 N16 O9.996 S12 -","2","0.25","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0665","0.0548","","","0.1396","0.1487","","","","","","1.095","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207352","29.96","0.03","5.629","0.004","20.905","0.017","90","","104.337","0.014","90","","3416","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N5 O2 S3 -","- C14 H12 Ag N5 O2 S3 -","- C112 H96 Ag8 N40 O16 S24 -","8","1","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0813","0.0472","","","0.0955","0.1086","","","","","","1.046","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207353","26.283","0.006","26.418","0.006","10.625","0.002","90","","90","","90","","7377","3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C56 H48 Ag4 N20 O12 S12 -","- C56 H48 Ag4 N20 O12 S12 -","- C224 H192 Ag16 N80 O48 S48 -","4","0.5","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.1304","0.0771","","","0.1944","0.2111","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207354","13.86","0.004","15.78","0.003","13.325","0.003","90","","90","","90","","2914.3","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H18 Cd2 N8 O8 -","- C30 H18 Cd2 N8 O8 -","- C120 H72 Cd8 N32 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0682","0.0406","","","0.0545","0.0616","","","","","","0.964","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207355","8.652","0.002","9.105","0.006","12.29","0.005","93.175","0.004","100.408","0.003","113.747","0.008","862.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","1","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0374","0.0313","","","0.0872","0.09","","","","","","0.997","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207356","8.743","0.005","9.887","0.005","11.655","0.001","71.127","0.009","72.77","0.001","65.701","0.005","853.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cd2 Cl N3 O8 -","- C14 H8 Cd2 Cl N3 O8 -","- C28 H16 Cd4 Cl2 N6 O16 -","2","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.029","0.0258","","","0.0679","0.0693","","","","","","1.088","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207357","13.562","0.006","6.941","0.002","16.19","0.001","90","","102.243","0.003","90","","1489.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cd2 N3 O8 -","- C12 H11 Cd2 N3 O8 -","- C48 H44 Cd8 N12 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0421","0.0291","","","0.0618","0.066","","","","","","0.936","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207358","8.259","0.008","10.892","0.001","16.45","0.009","90","","98.025","0.008","90","","1465.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N3 O10 Zn2 -","- C12 H8 N3 O10 Zn2 -","- C48 H32 N12 O40 Zn8 -","4","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0543","0.0436","","","0.1199","0.1374","","","","","","0.986","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207359","8.301","0.006","14.878","0.005","11.575","0.004","90","","90.854","0.009","90","","1429.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H5 Eu N3 O9 -","- C44 H20 Eu4 N12 O36 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.049","0.0311","","","0.0675","0.0734","","","","","","1.011","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207360","8.321","0.009","14.724","0.001","11.522","0.003","90","","90.797","0.007","90","","1411.5","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H7 N3 O9 Tb -","- C44 H28 N12 O36 Tb4 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0478","0.0312","","","0.0661","0.07","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207361","9.5565","0.0005","12.4706","0.0006","22.8429","0.001","90","","102.6","0.002","90","","2656.7","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H42 Mn3 N8 O22 -","- C30 H42 Mn3 N8 O22 -","- C60 H84 Mn6 N16 O44 -","2","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0519","0.0454","","","0.1089","0.113","","","","","","0.981","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207362","14.3147","0.0015","12.5692","0.0013","17.753","0.002","90","","94.401","0.006","90","","3184.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Mn3 N12 O24 -","- C48 H78 Mn3 N12 O24 -","- C96 H156 Mn6 N24 O48 -","2","0.5","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0474","0.0398","","","0.1022","0.1076","","","","","","1.034","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207363","13.112","0.0011","23.1084","0.0019","6.7362","0.0006","90","","92.986","0.001","90","","2038.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Mn N4 O10 -","- C18 H19 Mn N4 O10 -","- C72 H76 Mn4 N16 O40 -","4","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.085","0.0655","","","0.1667","0.186","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207364","10.8218","0.0011","15.0383","0.0016","16.836","0.0017","87.608","0.002","87.621","0.002","72.264","0.002","2606.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O15 Zn2 -","- C20 H18 N6 O15 Zn2 -","- C80 H72 N24 O60 Zn8 -","4","2","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0951","0.0795","","","0.1784","0.186","","","","","","1.184","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207365","20.592","0.004","7.4868","0.0012","17.275","0.003","90","","123.44","0.006","90","","2222.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 O13 Zn2 -","- C20 H20 N6 O13 Zn2 -","- C80 H80 N24 O52 Zn8 -","4","0.5","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0336","0.0318","","","0.0939","0.0949","","","","","","1.075","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207366","10.3253","0.0018","10.6116","0.0017","11.0121","0.0019","90","","115.701","0.003","90","","1087.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0429","0.0374","","","0.0939","0.0967","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207367","11.1185","0.0016","10.599","0.0015","9.7609","0.0013","90","","116.445","0.002","90","","1029.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0374","0.0372","","","0.0938","0.0941","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207368","10.9277","0.0012","21.32","0.002","21.32","0.002","82.64","","75.341","0.002","75.341","0.002","4638.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N24 O48 Zn10 -","- C80 H46 N24 O48 Zn10 -","- C160 H92 N48 O96 Zn20 -","2","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.1585","0.13","","","0.2757","0.2854","","","","","","1.202","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207384","8.8102","0.0002","15.6323","0.0004","16.3592","0.0004","103.544","0.001","100.811","0.001","90.1909","0.0012","2148.88","0.09","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Co2 N6 O13 -","- C33 H25 Co2 N5 O9 -","- C66 H50 Co4 N10 O18 -","2","1","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.083","0.0431","","","0.107","0.1155","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7207385","10.2537","0.0002","13.3383","0.0003","11.6839","0.0003","90","","120.648","0.001","90","","1374.76","0.06","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co2 N4 O10 -","- C26 H24 Co2 N4 O10 -","- C52 H48 Co4 N8 O20 -","2","0.5","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.0691","0.0376","","","0.0965","0.1036","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207386","13.7314","0.0002","7.6426","0.0002","14.8068","0.0003","90","","96.755","0.002","90","","1543.09","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquacobalt(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetraahydrate","tetraaquacobalt(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 Co N4 O14 -","- C26 H38 Co N4 O14 -","- C52 H76 Co2 N8 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.0474","0.0396","","","0.1336","0.14","","","","","","1.182","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207387","13.641","0.0003","7.65426","0.00019","14.7589","0.0003","90","","96.6889","0.0019","90","","1530.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquanickel(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetrahydrate","tetraaquanickel(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetrahydrate","","- C26 H38 N4 Ni O14 -","- C26 H38 N4 Ni O14 -","- C52 H76 N8 Ni2 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.053","0.0429","","","0.1446","0.155","","","","","","1.13","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207388","13.7232","0.0003","7.6423","0.0002","14.8063","0.0004","90","","96.804","0.002","90","","1541.9","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquazinc(ii)-trans-1,2-bis(4-pyridil)-ethylene bis- aminosalicylate tetraahydrate","tetraaquazinc(II)-trans-1,2-bis(4-pyridil)- ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 N4 O14 Zn -","- C26 H38 N4 O14 Zn -","- C52 H76 N8 O28 Zn2 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.04","0.0328","","","0.1005","0.1119","","","","","","1.158","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207389","9.8549","0.001","12.9803","0.0013","13.1435","0.0013","88.025","0.002","78.041","0.002","85.364","0.002","1639.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cu4 N8 O17 S2 -","- C24 H26 Cu4 N8 O17 S2 -","- C48 H52 Cu8 N16 O34 S4 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0459","0.0415","","","0.1072","0.1093","","","","","","1.069","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207390","11.3702","0.0014","17.1","0.002","17.374","0.002","90","","90","","90","","3378","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cu2 N4 O9 S -","- C12 H14 Cu2 N4 O9 S -","- C96 H112 Cu16 N32 O72 S8 -","8","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0435","0.0363","","","0.0956","0.0979","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207391","9.763","0.002","15.902","0.004","9.503","0.002","90","","109.733","0.004","90","","1388.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N6 O -","- C14 H8 Cu2 N6 O -","- C56 H32 Cu8 N24 O4 -","4","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0457","0.0346","","","0.0785","0.0807","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207392","7.2659","0.0014","9.9624","0.0019","13.716","0.003","94.208","0.004","98.334","0.003","103.15","0.004","950.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cu2 N4 O7 -","- C20 H14 Cu2 N4 O7 -","- C40 H28 Cu4 N8 O14 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.066","0.0442","","","0.0692","0.0725","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207393","3.7781","0.0017","12.032","0.005","11.896","0.005","90","","91.585","0.009","90","","540.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C24 H16 Cu2 N4 O8 -","2","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0538","0.0386","","","0.0734","0.0756","","","","","","1.001","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207394","8.8209","0.0003","13.7896","0.0005","18.6855","0.0006","90","","90","","90","","2272.84","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Eu N4 Na O8 -","- C24 H12 Eu N4 Na O8 -","- C96 H48 Eu4 N16 Na4 O32 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0239","0.0213","","","0.0579","0.0593","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207395","8.8179","0.0003","13.7604","0.0003","18.66","0.0004","90","","90","","90","","2264.16","0.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 N4 Na O8 Tb -","- C24 H12 N4 Na O8 Tb -","- C96 H48 N16 Na4 O32 Tb4 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0198","0.0164","","","0.0428","0.0443","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207396","8.7617","0.0008","21.2393","0.0018","15.8856","0.0011","90","","121.147","0.004","90","","2530","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Eu K N4 O9 -","- C25 H16 Eu K N4 O9 -","- C100 H64 Eu4 K4 N16 O36 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0519","0.0367","","","0.0794","0.0856","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207397","8.8249","0.0001","21.0395","0.0003","15.8776","0.0003","90","","120.844","0.002","90","","2531.07","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 K N4 O9 Tb -","- C25 H16 K N4 O9 Tb -","- C100 H64 K4 N16 O36 Tb4 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","1.54178","CuKα","","0.0763","0.0707","","","0.1732","0.1805","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207398","22.3163","0.0005","22.3163","0.0005","12.7222","0.0006","90","","90","","90","","6335.9","0.4","185","2","185","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H23.1 N5.3 Ni O5.3 -","- C22 H14 N4 Ni O4 -","- C176 H112 N32 Ni8 O32 -","8","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0602","0.047","","","0.1174","0.1225","","","","","","1.015","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207399","6.1802","0.0004","29.4218","0.0018","23.3127","0.0014","90","","95.663","0.001","90","","4218.3","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N8 O9 Zn2 -","- C39 H36 N8 O9 Zn2 -","- C156 H144 N32 O36 Zn8 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.1023","0.063","","","0.1848","0.21","","","","","","1.062","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207400","8.1191","0.0005","18.8297","0.0011","18.7331","0.0012","90","","100.574","0.001","90","","2815.3","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cd N7 O7 -","- C22 H14 Cd N4 O4 -","- C88 H56 Cd4 N16 O16 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0502","0.0373","","","0.1009","0.1048","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207401","24.803","0.0005","24.803","0.0005","16.3693","0.0003","90","","90","","120","","8721.1","0.3","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C96 H66 Co12 N15 O46 -","- C96 H66 Co12 N15 O46 -","- C192 H132 Co24 N30 O92 -","2","0.166667","","Chen, Qing; Xue, Wei; Wang, Bao-Ying; Zeng, Ming-Hua; Chen, Xiao-Ming","Unprecedented binodal (7,9)-connected network based on distinct tricobalt(ii) clusters: structure, topology and cooperative magnetism","CrystEngComm","2012","14","6","2009","","10.1039/c2ce06020e","","","0.71075","MoKα","","0.0806","0.0703","","","0.2174","0.2371","","","","","","1.047","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207402","6.7174","0.0013","22.973","0.005","7.2182","0.0014","90","","100.255","0.002","90","","1096.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N4 O5 -","- C8 H8 Cd N4 O5 -","- C32 H32 Cd4 N16 O20 -","4","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0265","0.0225","","","0.0545","0.0565","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207403","11.2987","0.0013","19.407","0.002","8.4415","0.001","90","","90","","90","","1851","0.4","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cd N4 O4 -","- C8 H6 Cd N4 O4 -","- C64 H48 Cd8 N32 O32 -","8","0.5","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0246","0.024","","","0.0729","0.0738","","","","","","1.084","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207404","6.3478","0.0017","7.609","0.002","17.406","0.005","84.001","0.003","89.051","0.003","66.246","0.003","765","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cd2 N4 O10 S -","- C8 H10 Cd2 N4 O10 S -","- C16 H20 Cd4 N8 O20 S2 -","2","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0587","0.0559","","","0.1857","0.1877","","","","","","1.096","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207405","14.0366","0.0005","8.0126","0.0003","17.497","0.0007","90","","98.2","0.004","90","","1947.76","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N8 O12 Zn -","- C34 H28 Cl2 N8 O12 Zn -","- C68 H56 Cl4 N16 O24 Zn2 -","2","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.1205","0.0765","","","0.2254","0.2725","","","","","","1.091","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207406","13.44","0.005","18.453","0.005","11.221","0.005","90","","107.95","0.005","90","","2647.4","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N4 O6 Zn -","- C26 H16 Cl2 N4 O6 Zn -","- C104 H64 Cl8 N16 O24 Zn4 -","4","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.0963","0.0563","","","0.1282","0.143","","","","","","1.005","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207407","8.5441","0.0006","9.5798","0.0007","12.6628","0.0009","71.189","0.006","87.143","0.006","78.616","0.006","961.69","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","1","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","1.54178","CuKα","","0.0598","0.0564","","","0.1742","0.1789","","","","","","1.02","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207408","25.712","0.004","25.712","0.004","36.372","0.007","90","","90","","120","","20824","6","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C174 H168 Cl6 N18 Ni3 O27 -","- C174 H114 Cl6 N18 Ni3 O30 -","- C522 H342 Cl18 N54 Ni9 O90 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1154","0.1143","","","0.3369","0.3381","","","","","","1.262","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207409","24.817","0.005","25.609","0.005","16.634","0.003","90","","90.25","0.03","90","","10571","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C382 H416 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1186","0.0887","","","0.1981","0.2166","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207410","25.712","0.005","25.712","0.005","36.372","0.006","90","","90","","120","","20824","7","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C174 H114 Cl6 N18 Ni3 -","- C174 H114 Cl6 N18 Ni3 -","- C522 H342 Cl18 N54 Ni9 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.0689","0.0657","","","0.1807","0.1845","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207411","10.185","0.005","10.983","0.005","14.243","0.005","88.775","0.005","72.634","0.005","75.77","0.005","1471.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cd N4 O12 -","- C25 H22 Cd N4 O12 -","- C50 H44 Cd2 N8 O24 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.1532","0.0737","","","0.1161","0.1425","","","","","","0.947","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207412","17.518","0.005","17.907","0.005","18.204","0.005","90","0.005","111.876","0.005","90","0.005","5299","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N8 O17 Zn2 -","- C50 H43 N8 O17 Zn2 -","- C200 H172 N32 O68 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.2063","0.0782","","","0.1399","0.1749","","","","","","1.144","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207413","20.322","0.005","7.679","0.005","16.703","0.005","90","0.005","90","0.005","90","0.005","2607","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N4 O7 Zn -","- C26 H24 N4 O7 Zn -","- C104 H96 N16 O28 Zn4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.0648","0.0461","","","0.116","0.1294","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207414","9.6973","0.0006","11.1543","0.0007","11.5573","0.0007","92.228","0.005","94.339","0.005","95.885","0.005","1238.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N4 O7 -","- C26 H24 Co N4 O7 -","- C52 H48 Co2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.0882","0.0582","","","0.1122","0.1319","","","","","","1.049","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207415","12.846","0.005","12.858","0.005","13.629","0.005","89.363","0.005","84.024","0.005","76.58","0.005","2177.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55.5 Co N8 O13.75 -","- C38 H52 Co N8 O13.75 -","- C76 H104 Co2 N16 O27.5 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.156","0.0739","","","0.138","0.173","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207416","8.9508","0.0004","9.0335","0.0003","18.2518","0.0007","76.907","0.003","79.085","0.004","65.248","0.004","1297.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cu N4 O7 -","- C26 H24 Cu N4 O7 -","- C52 H48 Cu2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1229","0.073","","","0.1381","0.1602","","","","","","1.195","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207417","15.9321","0.0007","17.2033","0.0006","9.9871","0.0004","90","","90","","90","","2737.31","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H26 Cu N4 O7 -","- C27 H26 Cu N4 O7 -","- C108 H104 Cu4 N16 O28 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1115","0.0646","","","0.1321","0.1587","","","","","","1.052","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207418","11.291","0.002","13.235","0.003","15.436","0.003","73.8","0.03","72.74","0.03","79.37","0.03","2102.3","0.9","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.061","0.0517","","","0.1474","0.1559","","","","","","1.116","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207419","11.19","0.002","13.181","0.003","15.356","0.003","73.7","0.03","72.87","0.03","79.78","0.03","2066.3","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0518","0.0345","","","0.0832","0.0902","","","","","","1.044","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207420","11.0485","0.0003","13.1016","0.0003","15.4028","0.0003","73.203","0.002","72.574","0.002","79.917","0.002","2026.92","0.09","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0569","0.036","","","0.0748","0.082","","","","","","1.063","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207421","25.054","0.002","13.2154","0.0009","17.3885","0.0013","90","","90","","90","","5757.3","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O10 -","- C128 H224 Cl16 Cu8 N96 O80 -","8","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0713","0.0616","","","0.1807","0.1874","","","","","","1.073","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207422","9.1844","0.0007","13.1362","0.0014","8.2785","0.0007","90","","95.885","0.007","90","","993.52","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H12 Cl2 Cu N12 O8 -","- C10 H12 Cl2 Cu N12 O8 -","- C20 H24 Cl4 Cu2 N24 O16 -","2","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0563","0.0417","","","0.1021","0.1062","","","","","","1.048","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207423","14.198","0.0006","21.2033","0.0006","8.7574","0.0003","90","","90","","90","","2636.37","0.16","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H22 Cl2 Cu N12 O11 -","- C12 H16 Cl2 Cu N12 O11 -","- C48 H64 Cl8 Cu4 N48 O44 -","4","0.5","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.086","0.0661","","","0.1854","0.2057","","","","","","1.072","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207424","18.2592","0.0006","12.6726","0.0004","12.0365","0.0005","90","","90","","90","","2785.14","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H27 Cl2 Cu N12 O11.5 -","- C14 H27 Cl2 Cu N12 O11.5 -","- C56 H108 Cl8 Cu4 N48 O46 -","4","1","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0386","0.0348","","","0.0954","0.0968","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207425","9.991","0.005","16.421","0.005","15.645","0.005","90","","108.492","0.005","90","","2434.2","1.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C112 H80 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0663","0.0551","","","0.1276","0.13","","","","","","1.269","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207426","5.359","0.005","7.714","0.005","14.242","0.005","77.099","0.005","81.606","0.005","89.607","0.005","567.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.052","0.04","","","0.1037","0.1078","","","","","","1.093","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207427","9.052","0.005","9.052","0.005","15.156","0.005","90","","90","","90","","1241.9","1.1","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0438","0.0334","","","0.0714","0.0742","","","","","","1.014","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207428","13.8471","0.0004","8.6097","0.0002","10.0943","0.0003","90","","100.131","0.003","90","","1184.67","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0706","0.0492","","","0.1127","0.1297","","","","","","1.031","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207429","9.034","0.005","13.743","0.005","11.372","0.005","90","","90","","90","","1411.9","1.1","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0502","0.0399","","","0.1008","0.1047","","","","","","1.023","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207430","12.059","0.005","12.54","0.005","8.884","0.005","90","","91.804","0.005","90","","1342.8","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.1001","0.0539","","","0.1244","0.1371","","","","","","1.012","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207431","12.8346","0.0008","8.061","0.005","14.155","0.005","90","","108.35","0.005","90","","1390","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0976","0.0445","","","0.1031","0.1157","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207432","25.559","0.005","11.622","0.005","9.509","0.005","90","","90","","90","","2825","2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C120 H72 F48 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0783","0.0538","","","0.1461","0.1572","","","","","","1.1","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207433","5.2019","0.0003","14.3865","0.0007","18.1844","0.0009","90","","97.367","0.005","90","","1349.63","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0851","0.0568","","","0.1331","0.1504","","","","","","1.083","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207434","21.2145","0.0013","6.779","0.0003","9.7179","0.0005","90","","100.886","0.005","90","","1372.41","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","0.5","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.073","0.0481","","","0.1106","0.1282","","","","","","1.032","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207435","8.6642","0.0003","11.7031","0.0004","22.3567","0.0006","86.773","0.002","86.541","0.002","86.636","0.002","2255.73","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 B2 F4 N6 -","- C49 H56 B2 F4 N6 -","- C98 H112 B4 F8 N12 -","2","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0747","0.0424","","","0.107","0.1152","","","","","","0.954","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207436","13.734","0.002","14.564","0.002","21.08","0.003","90","","103.102","0.002","90","","4106.7","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 B2 F4 N6 -","- C41 H40 B2 F4 N6 -","- C164 H160 B8 F16 N24 -","4","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0917","0.0634","","","0.1863","0.1972","","","","","","1.101","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207437","9.9923","0.0009","39.407","0.004","14.7337","0.0014","90","","94.433","0.002","90","","5784.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H92 F2 N8 O7.5 -","- C52 H92 F2 N8 O7.52 -","- C208 H368 F8 N32 O30.08 -","4","1","","Dalapati, Sasanka; Akhtarul Alam, Md.; Saha, Rajat; Jana, Sankar; Guchhait, Nikhil","An efficient size-selective anion binding cleft-shaped receptor: A novel [F2(H2O)3]2− cluster with pseudo-encapsulated F− ion","CrystEngComm","2012","14","5","1527","","10.1039/c2ce06286k","","","0.71073","MoKα","","0.1355","0.106","","","0.2722","0.2911","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207438","11.499","0.005","11.793","0.005","12.374","0.005","94.564","0.007","101.799","0.007","105.126","0.007","1569.9","1.1","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULPHONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26 H36.5 Cl0.5 O14 S -","- C26.125 H36.25 Cl0.25 O14 S -","- C52.25 H72.5 Cl0.5 O28 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.1169","0.0779","","","0.1893","0.2207","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207439","12.404","0.004","12.492","0.004","13.331","0.004","99.188","0.005","109.62","0.005","116.837","0.004","1612.7","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H39 N O14.5 S -","- C28 H39 N O14.25 S -","- C56 H78 N2 O28.5 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0412","0.0398","","","0.1044","0.1061","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207440","12.401","0.004","12.587","0.004","13.25","0.004","98.697","0.005","108.729","0.005","117.919","0.004","1614.4","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H39 N O16 S -","- C27 H39 N O16.125 S -","- C54 H78 N2 O32.25 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0836","0.0811","","","0.2324","0.2352","","","","","","1.091","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207441","13.597","0.004","14.351","0.004","17.818","0.005","90","","91.466","0.005","90","","3475.7","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4(6),5-O-PENTA ACETYL 6(4)-O-CAMPHORSULFONYL MYO-INOSITOL","","- C28.25 H40.5 O14.75 S -","- C28.25 H40.5 O14.755 S -","- C113 H162 O59.02 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1702","0.1845","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207442","13.857","0.003","14.298","0.003","17.717","0.004","90","","90.651","0.004","90","","3510","1.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26.75 H36.75 Cl2.5 O14 S -","- C26.75 H36.75 Cl2.25 O14 S -","- C107 H147 Cl9 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0804","0.064","","","0.1726","0.1894","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207443","13.39","0.02","14.35","0.03","17.54","0.03","90","","91.55","0.02","90","","3369","10","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H40 Cl2 O14 S -","- C28 H40 Cl2.005 O14 S -","- C112 H160 Cl8.02 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0684","0.0519","","","0.1233","0.1301","","","","","","0.982","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207444","13.463","0.002","14.451","0.003","17.848","0.003","90","","91.363","0.003","90","","3471.4","1.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H38 Cl2 O14 S -","- C27 H38 Cl2 O14 S -","- C108 H152 Cl8 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0966","0.0785","","","0.2091","0.2286","","","","","","1.022","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207445","19.885","0.004","4.208","0.0008","13.807","0.003","90","","100.83","0.03","90","","1134.7","0.4","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H15 Cu2 I2 N4 S2 -","- C21 H13 Cu2 I2 N4 S2 -","- C42 H26 Cu4 I4 N8 S4 -","2","0.5","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0562","0.056","","","0.1272","0.1273","","","","","","1.025","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207446","7.6628","0.0015","8.355","0.0017","11.668","0.002","95.2","0.03","102.55","0.03","93.44","0.03","723.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu2 I2 N2 S -","- C11 H9 Cu2 I2 N2 S -","- C22 H18 Cu4 I4 N4 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0399","0.0309","","","0.0734","0.0744","","","","","","1.026","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207447","10.357","0.002","11.51","0.002","13.13","0.003","93.44","0.03","102.57","0.03","97.87","0.03","1506.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cu3 I3 N5 S2 -","- C25 H23 Cu3 I3 N5 S2 -","- C50 H46 Cu6 I6 N10 S4 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0525","0.0483","","","0.1305","0.1341","","","","","","1.082","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207448","7.7834","0.0016","9.768","0.002","11.779","0.002","110.16","0.03","91.73","0.03","109.35","0.03","782.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu I N3 S -","- C14 H14 Cu I N3 S -","- C28 H28 Cu2 I2 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0372","0.0306","","","0.0702","0.0709","","","","","","1.017","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207449","10.868","0.002","13.951","0.003","19.474","0.004","86.82","0.03","88.76","0.03","76.72","0.03","2869.1","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu2 I2 N4 S2 -","- C25 H24 Cu2 I2 N4 S2 -","- C100 H96 Cu8 I8 N16 S8 -","4","2","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0893","0.0648","","","0.1107","0.1219","","","","","","1.151","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207450","9.889","0.002","10.169","0.002","10.898","0.002","91.87","0.03","95.71","0.03","116.91","0.03","968.7","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu2 I2 N3 S -","- C15 H16 Cu2 I2 N3 S -","- C30 H32 Cu4 I4 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0784","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207451","13.974","0.005","19.181","0.007","12.84","0.005","90","","117.009","0.003","90","","3066","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Co N2 O12 -","- C34 H28 Co N2 O12 -","- C136 H112 Co4 N8 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.077","0.0493","","","0.0786","0.087","","","","","","0.998","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207452","18.101","0.004","15.391","0.004","16.678","0.004","90","","111.648","0.003","90","","4318.6","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Cu N2 O4 -","- C23 H13 Cu N2 O4 -","- C184 H104 Cu8 N16 O32 -","8","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.1217","0.0772","","","0.1892","0.2194","","","","","","1.006","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207453","11.749","0.002","12.01","0.002","14.524","0.003","90","","99.314","0.002","90","","2022.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Mn N2 O5 -","- C23 H15 Mn N2 O5 -","- C92 H60 Mn4 N8 O20 -","4","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0699","0.0526","","","0.161","0.1735","","","","","","1.112","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207454","14.05","0.002","19.069","0.003","12.814","0.003","90","","117.154","0.001","90","","3054.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 Ni O12 -","- C34 H28 N2 Ni O12 -","- C136 H112 N8 Ni4 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.081","0.0538","","","0.1137","0.1262","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207455","22.908","0.003","14.679","0.003","18.591","0.004","90","","116.921","0.003","90","","5574.1","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 N4 O18 Zn3 -","- C68 H42 N4 O18 Zn3 -","- C272 H168 N16 O72 Zn12 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0621","0.0506","","","0.1534","0.1628","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207456","7.8961","0.0016","18.24","0.004","17.618","0.003","90","","96.23","0.03","90","","2522.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N12 Ni2 O13 -","- C54 H40 N12 Ni2 O13 -","- C108 H80 N24 Ni4 O26 -","2","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0657","0.0464","","","0.0886","0.0946","","","","","","1.106","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207457","10.047","0.002","12.658","0.003","13.494","0.003","86.56","0.03","71.43","0.03","72.16","0.03","1547.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","1","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0737","0.0538","","","0.1273","0.1347","","","","","","1.103","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207458","23.567","0.0006","23.567","0.0006","46.997","0.002","90","","90","","90","","26102.3","1.5","123","0","123","0","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C54 H41 Cu6 N O36 -","- C54 H24 Cu6 N O35.75 -","- C432 H192 Cu48 N8 O286 -","8","0.5","","Li, Chuanqiang; Qiu, Wenge; Shi, Wei; Song, Haibin; Bai, Guangmei; He, Hong; Li, Jian; Zaworotko, Michael J.","A pcu-type metal‒organic framework based on covalently quadruple cross-linked supramolecular building blocks (SBBs): structure and adsorption properties","CrystEngComm","2012","14","6","1929","","10.1039/c2ce06384k","","","0.71073","MoKα","","0.0768","0.055","","","0.1588","0.1686","","","","","","0.537","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207459","9.47497","0.00016","10.17469","0.00014","14.53205","0.00025","90","","90","","90","","1400.96","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Mandelsaeure-(R)-Prolinamid","(R)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.365","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207460","9.32239","0.00021","10.09939","0.00022","14.71604","0.00033","90","","90","","90","","1385.52","0.05","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Mandelsaeure-(R)-Prolinamid","(S)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.444","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207461","3.8288","0.0002","10.6688","0.0005","12.0072","0.0006","67.07","0.003","89.415","0.003","87.226","0.003","451.17","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Quinoline/fumaric acid (2:1)","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","1","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.043","0.031","","","0.0747","0.0807","","","","","","1.034","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207462","3.8896","0.0002","19.6117","0.0013","13.0475","0.0008","90","","92.417","0.003","90","","994.4","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Methylquinoline/fumaric acid (2:1)","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0571","0.0494","","","0.1291","0.1355","","","","","","1.137","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207463","3.8588","0.0002","19.5187","0.0011","13.072","0.0008","90","","92.465","0.003","90","","983.66","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","75% 6-Methylquinoline/fumaric acid (2:1) 25% Quinoline/fumaric acid (2:1)","","","- C23.5 H21 N2 O4 -","- C23.5 H21 N2 O4 -","- C47 H42 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0644","0.041","","","0.0921","0.1011","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207464","6.387","0.005","6.888","0.005","15.845","0.005","79.079","0.005","85.111","0.005","82.479","0.005","677.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 O5 P -","- C14 H13 O5 P -","- C28 H26 O10 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0701","0.0504","","","0.1278","0.1452","","","","","","1.051","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207465","5.1625","0.0003","9.7839","0.0006","14.709","0.0013","90","","90.773","0.006","90","","742.87","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Cu O6 P -","- C14 H11 Cu O6 P -","- C28 H22 Cu2 O12 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0442","0.0394","","","0.0676","0.0709","","","","","","0.993","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207466","13.647","0.001","12.2255","0.0005","10.0282","0.0004","90","","97.675","0.005","90","","1658.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.5 Cu5 O15 P2 -","- C28 H20 Cu5 O14.82 P2 -","- C56 H40 Cu10 O29.64 P4 -","2","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0917","0.06","","","0.1329","0.1539","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207467","15.076","0.005","10.156","0.005","19.074","0.005","90","0.005","99.099","0.005","90","0.005","2883.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O11 P2 Zn3 -","- C28 H20 O11 P2 Zn3 -","- C112 H80 O44 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0747","0.0468","","","0.091","0.1039","","","","","","1.031","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207468","10.5652","0.0002","17.5422","0.0004","25.6946","0.0006","90","","90","","90","","4762.16","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 N4 O12 P2 Zn3 -","- C52 H36 N4 O12 P2 Zn3 -","- C208 H144 N16 O48 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0446","0.0361","","","0.0674","0.0712","","","","","","1.042","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207469","10.151","0.005","9.687","0.005","29.778","0.005","90","0.005","90","0.005","90","0.005","2928","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cd3 O12 P2 -","- C28 H24 Cd3 O12 P2 -","- C112 H96 Cd12 O48 P8 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0323","0.028","","","0.0564","0.0585","","","","","","1.055","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207470","14.8874","0.0007","10.9755","0.0004","9.8754","0.0004","90","","93.096","0.004","90","","1611.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 O7.5 P -","- C14 H10 Cd2 O7.5 P -","- C56 H40 Cd8 O30 P4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0524","0.0376","","","0.0777","0.0881","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207471","11.2243","0.0017","12.7247","0.0008","13.065","0.002","95.695","0.009","102.674","0.013","94.36","0.009","1802.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cd N4 O7.5 P -","- C38 H27 Cd N4 O7.519 P -","- C76 H54 Cd2 N8 O15.038 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0716","0.0497","","","0.107","0.1209","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207472","11.202","0.01","12.897","0.011","28.51","0.02","90","","90","","90","","4119","6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C50 H80 Cu4 N14 O24 -","- C50 H80 Cu4 N14 O24 -","- C100 H160 Cu8 N28 O48 -","2","0.25","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.091","0.0658","","","0.1647","0.1838","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207473","7.261","","10.749","","11.075","","68.967","0.007","77.087","0.008","76.293","0.008","774.63","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","1","0.5","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.0406","0.0372","","","0.1025","0.1057","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207474","8.007","0.0018","8.389","0.002","10.586","0.003","78.572","0.007","70.445","0.007","89.192","0.007","655.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(1,4-diammoniumbutane)tetrabromoplumbate(II)","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0432","0.0346","","","0.0889","0.0918","","","","","","1.121","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207475","21.119","0.004","8.5018","0.0014","8.8936","0.0015","90","","103.648","0.003","90","","1551.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4-diammonium)tetraiodoplumbate(II)","","- C4 H14 I4 N2 Pb -","- C4 H14 I4 N2 Pb -","- C16 H56 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0452","0.0394","","","0.0976","0.1003","","","","","","1.01","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207476","11.639","0.003","11.877","0.003","13.828","0.003","68.68","0.005","71.022","0.005","86.892","0.004","1679.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(1,7-diammoniumheptane)dodecaiodotriplumbate(II) diiodide","","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","1","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0474","0.0368","","","0.0906","0.0943","","","","","","1.07","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207477","13.815","0.003","8.3815","0.0015","9.0264","0.0016","90","","106.749","0.003","90","","1000.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,8-diammoniumoctane)tetraiodoplumbate(II)","","- C8 H22 I4 N2 Pb -","- C8 H22 I4 N2 Pb -","- C16 H44 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0616","0.0576","","","0.1372","0.1418","","","","","","1.102","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207478","14.651","0.006","7.926","0.003","8.455","0.003","90","","96.709","0.008","90","","975.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,10-diammoniumdecane)tetrabromoplumbate(II)","","- C10 H26 Br4 N2 Pb -","- C10 H26 Br4 N2 Pb -","- C20 H52 Br8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.065","0.0588","","","0.1597","0.1667","","","","","","1.119","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207479","15.8186","0.0008","8.4304","0.0004","8.8539","0.0004","90","","90.231","0.003","90","","1180.72","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,12-diammoniumdodecane)tetraiodoplumbate(II)","","- C12 H30 I4 N2 Pb -","- C12 H30 I4 N2 Pb -","- C24 H60 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0692","0.0577","","","0.1684","0.1842","","","","","","1.286","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207480","11.163","0.003","8.96","0.002","8.737","0.002","90","","90.314","0.004","90","","873.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,5-diammoniumnaphthalene)tetraiodoplumbate(II)","","- C10 H12 I4 N2 Pb -","- C10 H12 I4 N2 Pb -","- C20 H24 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0343","0.0326","","","0.0745","0.0758","","","","","","1.18","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207481","8.9023","0.0008","27.727","0.002","14.71","0.0012","90","","102.226","0.006","90","","3548.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(1,2-diammoniumethane)nonabromodiplumbate(II) tribromide","","- C8 H40 Br12 N8 Pb2 -","- C8 H40 Br12 N8 Pb2 -","- C32 H160 Br48 N32 Pb8 -","4","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0862","0.061","","","0.1529","0.1649","","","","","","1.06","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207482","25.333","0.008","42.923","0.014","4.5149","0.0015","90","","90","","90","","4909","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(4,4-methylenedianilinium)hexaiododiplumbate(II)","","- C13 H16 I6 N2 Pb2 -","- C13 H16 I6 N2 Pb2 -","- C104 H128 I48 N16 Pb16 -","8","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0315","0.0277","","","0.0625","0.0633","","","","","","1.033","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207483","6.7004","0.0007","8.2245","0.0008","15.4159","0.0015","90","","101","0.03","90","","833.92","0.17","190","0.2","190","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform cyclobutanone co-crystal","trichloromethane cyclobutanone clathrate (1:1)","","- C5 H7 Cl3 O -","- C5 H7 Cl3 O -","- C20 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0417","0.0342","","","0.0955","0.1041","","","","","","1.075","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207484","10.3053","0.0012","20.118","0.002","5.5119","0.0004","90","","90","","90","","1142.74","0.19","180","0.2","180","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","dichloromethane cyclobutanone co-crystal","dichloromethane cyclobutanone clathrate (1:2)","","- C9 H14 Cl2 O2 -","- C9 H14 Cl2 O2 -","- C36 H56 Cl8 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","MoKα","","0.0555","0.0325","","","0.073","0.0792","","","","","","1.072","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207485","6.2893","0.0006","7.8029","0.0009","10.3006","0.0013","103.76","0.01","103.15","0.01","98.4","0.01","467.28","0.1","180","0.2","180","0.2","","","","","","","","4","P -1","-P 1","2","dichloromethane cyclohexanone co-crystal","dichloromethane cyclohexanone clathrate (1:1)","","- C7 H12 Cl2 O -","- C7 H12 Cl2 O -","- C14 H24 Cl4 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0453","0.0339","","","0.0912","0.0977","","","","","","1.048","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207486","6.054","0.002","6.965","0.003","16.346","0.006","90","","95.86","0.03","90","","685.6","0.5","165","0.2","165","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","chloroform methylethylketone co-crystal","trichloromethane butanone-2 clathrate (2:1)","","- C6 H10 Cl6 O -","- C6 H10 Cl6 O -","- C12 H20 Cl12 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.1068","0.0497","","","0.1044","0.1205","","","","","","0.957","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207487","8.5922","0.0011","12.7617","0.0018","7.6903","0.0009","90","","102.77","0.02","90","","822.4","0.2","160","0.2","160","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloromethane methylethylketone co-crystal","dichloromethane butanone-2 clathrate (1:1)","","- C5 H10 Cl2 O -","- C5 H10 Cl2 O -","- C20 H40 Cl8 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0531","0.0303","","","0.0648","0.0696","","","","","","1.004","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207488","5.8895","0.0004","13.6031","0.001","10.0396","0.0008","90","","90.99","0.02","90","","804.21","0.1","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chloroform aceton co-crystal","trichloromethane propanone-2 clathrate (1:1)","","- C4 H7 Cl3 O -","- C4 H7 Cl3 O -","- C16 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0359","0.0289","","","0.0736","0.0772","","","","","","1.061","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207489","14.5833","0.0012","8.2213","0.0007","13.924","0.001","90","","117.21","0.01","90","","1484.7","0.2","200","0.2","200","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dichloromethane acetone co-crystal","dichloromethane propanone-2 clathrate (1:1)","","- C4 H8 Cl2 O -","- C4 H8 Cl2 O -","- C32 H64 Cl16 O8 -","8","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.055","0.0418","","","0.1275","0.1394","","","","","","1.047","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207490","5.9481","0.0005","9.3502","0.0008","12.1479","0.0011","90","","100.93","0.02","90","","663.36","0.11","200","0.2","200","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform dioxane co-crystal","trichloromethane 1,4-dioxane (2:1)","","- C3 H5 Cl3 O -","- C3 H5 Cl3 O -","- C12 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0422","0.0364","","","0.0976","0.1043","","","","","","1.066","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207491","7.8287","0.0013","10.025","0.002","14.764","0.003","90","","90","","90","","1158.7","0.4","195","0.2","195","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dichloromethane dioxane co-crystal","dichloromethane 1,4-dioxane clathrate (2:1)","","- C6 H12 Cl4 O2 -","- C6 H12 Cl4 O2 -","- C24 H48 Cl16 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","Mo-Kα","","0.0512","0.0326","","","0.0753","0.0848","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207492","23.76","0.005","39.331","0.008","40.61","0.009","90","","90","","90","","37950","14","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C60 H50 In2 N2 O17 -","- C60 H32 In2 N2 O17 -","- C960 H512 In32 N32 O272 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.18","0.0602","","","0.1754","0.2017","","","","","","0.78","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207493","23.088","0.003","39.262","0.005","41.133","0.005","90","","90","","90","","37286","8","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C56 H32 In2 O16 -","- C56 H32 In2 O16 -","- C896 H512 In32 O256 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.1483","0.0686","","","0.1946","0.2091","","","","","","0.822","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207494","12.251","0.003","18.631","0.004","20.976","0.004","90","0.03","90","0.03","90","0.03","4787.7","1.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H16 In N O8 -","- C32 H16 In N O8 -","- C128 H64 In4 N4 O32 -","4","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.0829","0.0754","","","0.2198","0.2276","","","","","","1.132","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207495","38.4167","0.0008","38.4167","0.0008","38.4167","0.0008","90","","90","","90","","56697","2","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H89.33 Au4 Cl2 Co2 N4 O20.67 P4 S4 -","- C72 H84 Au4 Cl1.99933 Co2 N4 O20.6666 P4 S4 -","- C1728 H2016 Au96 Cl47.984 Co48 N96 O495.999 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0664","0.0537","","","0.1341","0.1441","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207496","38.0216","0.0006","38.0216","0.0006","38.0216","0.0006","90","","90","","90","","54965.6","1.5","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H106 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C72 H84 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C1728 H2016 Au96 Cl48 Co48 N96 O456 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0536","0.0468","","","0.1338","0.1392","","","","","","0.991","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207497","36.087","0.003","13.2881","0.001","19.2349","0.0014","90","","107.849","0.001","90","","8779.7","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H66 Cd23 Cl2 N176 O11 -","- C44 H42 Cd23 Cl2 N176 O11 -","- C88 H84 Cd46 Cl4 N352 O22 -","2","0.25","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Lu, Tong-Bu; Wang, Ke-Jun","An unprecedented (4,10)-connected porous metal‒organic framework containing two rare large secondary building units (SBUs)","CrystEngComm","2012","14","5","1538","","10.1039/c2ce06555j","","","0.71073","MoKα","","0.0721","0.0466","","","0.1292","0.1428","","","","","","1.094","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207510","30.073","0.006","6.7129","0.0014","16.722","0.003","90","","104.76","0.03","90","","3264.4","1.2","100","2","100","2","","","","","","","Sigma Aldrich","5","C 1 2/c 1","-C 2yc","15","Ofloxcacin","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.5608","AgKα","","0.0701","0.0346","","","","0.0344","","","","","","2.7286","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207511","8.2477","0.0006","21.6745","0.0017","9.5199","0.0007","90","","110.692","0.001","90","","1592","0.2","100","2","100","2","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Norfloxacin","","","- C16 H22 F N3 O5 -","- C16 H22 F N3 O5 -","- C64 H88 F4 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0835","0.0311","","","","0.0261","","","","","","2.1753","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207512","4.26","0.0006","9.7217","0.0012","17.862","0.003","78.225","0.008","87.712","0.009","79.626","0.007","712.34","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Norfloxacin","","","- C16 H18 F N3 O3 -","- C16 H18 F N3 O3 -","- C32 H36 F2 N6 O6 -","2","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","1.54178","CuKα","","0.1326","0.1155","","","","0.1918","","","","","","1.5936","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207513","8.4124","0.0006","22.0645","0.0015","17.1587","0.0012","90","","100.896","0.001","90","","3127.5","0.4","100","2","100","","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","","","- C15 H20.44 F N4 O4.72 -","- C15 H20.4366 F N4 O4.7183 -","- C120 H163.493 F8 N32 O37.7464 -","8","2","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0778","0.0273","","","","0.0172","","","","","","2.7767","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207514","5.2","0.001","39.96","0.008","9.38","0.0019","90","","90.55","0.03","90","","1949","0.7","100","2","100","2","","","","","","","Sigma Aldrich","6","P 1 21/c 1","-P 2ybc","14","Lomefloxacin","","","- C17 H24 Cl0.95 F2 N3 O5 -","- C17 H24 Cl0.9538 F2 N3 O5 -","- C68 H96 Cl3.8152 F8 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.8","synchrotron","","0.0737","0.0703","","","","0.1056","","","","","","3.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207515","5.9241","0.0001","9.4808","0.0002","18.5568","0.0004","90","","91.192","0.002","90","","1042.02","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","doxycycline monohydrate","6-Deoxy-5-oxytetracycline monohydrate","","- C22 H26 N2 O9 -","- C22 H26 N2 O9 -","- C44 H52 N4 O18 -","2","1","","Legendre, Alexandre O.; Silva, Laila R. R.; Silva, Douglas M.; Rosa, Iara M. L.; Azarias, Lilian C.; de Abreu, Polyana J.; de Araújo, Magali B.; Neves, Person P.; Torres, Claudia; Martins, Felipe T.; Doriguetto, Antonio C.","Solid state chemistry of the antibiotic doxycycline: structure of the neutral monohydrate and insights into its poor water solubility","CrystEngComm","2012","14","7","2532","","10.1039/c1ce06181j","","","0.71073","MoKα","","0.0413","0.0369","","","0.0918","0.0945","","","","","","1.051","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207516","6.2761","0.0006","22.345","0.002","6.8833","0.0007","90","","97.257","0.001","90","","957.58","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrochloride hydrate","","","- C8 H12 Cl N O3 -","- C8 H12 Cl N O3 -","- C32 H48 Cl4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0306","0.0272","","","0.0734","0.076","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207517","6.4919","0.0006","6.1159","0.0006","16.87","0.0016","90","","90.032","0.001","90","","669.8","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzenaminium chloride","","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C24 H32 Cl4 N4 O4 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0228","0.0226","","","0.0658","0.066","","","","","","1.097","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207518","7.6205","0.0005","7.9261","0.0005","8.0664","0.0007","85.402","0.007","81.432","0.006","70.018","0.006","452.55","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","1","0.5","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0279","0.0265","","","0.0672","0.0687","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207519","9.0862","0.0005","10.7299","0.0005","19.5496","0.0007","89.452","0.003","87.337","0.004","80.347","0.004","1876.95","0.15","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H44 Co6 O31 -","- C22 H44 Co6 O31 -","- C44 H88 Co12 O62 -","2","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","","0.71073","MoKα","","0.073","0.0386","","","0.0699","0.0865","","","","","","1.008","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207520","16.1859","0.0007","4.8014","0.0002","9.2596","0.0004","90","","90.191","0.004","90","","719.61","0.05","295","2","295","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0939","0.083","","","0.2275","0.2361","","","","","","1.185","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207521","7.8814","0.0004","16.4329","0.0013","18.0521","0.0013","90","","90.406","0.004","90","","2337.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cu2 N10 O12 -","- C42 H60 Cu2 N10 O12 -","- C84 H120 Cu4 N20 O24 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1067","0.0639","","","0.1664","0.2061","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207522","11.0014","0.0004","16.1868","0.0006","17.8272","0.0007","90","","106.526","0.002","90","","3043.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Cu2 N10 O16 -","- C54 H72 Cu2 N10 O16 -","- C108 H144 Cu4 N20 O32 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.2395","0.0884","","","0.223","0.3108","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207523","10.4604","0.0005","11.964","0.0007","16.1087","0.0008","78.673","0.003","72.493","0.003","64.513","0.003","1730.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H92 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","1","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1203","0.0616","","","0.1748","0.2233","","","","","","1.101","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207524","16.5171","0.0003","11.386","0.0003","17.9517","0.0005","90","","106.933","0.001","90","","3229.7","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Cu2 N10 O24 -","- C54 H72 Cu2 N10 O24 -","- C108 H144 Cu4 N20 O48 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1473","0.0878","","0.3174","0.2482","0.2434","","","1.086","1.177","1.177","1.075","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207525","6.4897","0.0014","19.302","0.005","12.454","0.002","90","","99.848","0.019","90","","1537.1","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","0.5","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","0.71073","MoKα","","0.2226","0.0748","","","0.1478","0.1887","","","","","","0.968","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207526","7.3324","0.0007","7.3383","0.0007","37.984","0.003","89.627","0.007","89.836","0.007","85.628","0.007","2037.8","0.3","293","2","293","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","1.5418","CuKα","","0.1443","0.0995","","","0.2777","0.361","","","","","","1.081","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207527","18.9657","0.0019","10.8842","0.0011","11.7477","0.0012","90","","125.406","0.012","90","","1976.6","0.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo- 4,5-dihydro-1H-pyrrol-2-olato-κ^2^N^3^:N^3'^)copper(II)] dihydrate]","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C64 H40 Cu4 N32 O32 -","4","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0408","0.0372","","","0.1026","0.1054","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207528","6.9985","0.0009","8.0047","0.0011","9.5314","0.0014","88.986","0.011","68.71","0.013","84.342","0.013","495","0.13","291","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II)","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.0755","0.0492","","","0.1044","0.1157","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207529","5.4","0.002","8.849","0.003","11.531","0.005","88.24","0.02","77.28","0.02","82.33","0.03","532.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) half-hydrate","","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0523","0.0494","","","0.1401","0.143","","","","","","1.091","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207530","6.753","0.001","11.707","0.002","14.382","0.002","103.56","0.01","97.73","0.01","101.01","0.01","1065.6","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) hydrate","","- C16 H12 Cu N8 O9 -","- C16 H12 Cu N8 O9 -","- C32 H24 Cu2 N16 O18 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0922","0.0571","","","0.1331","0.1533","","","","","","1.029","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207531","5.3101","0.0007","15.741","0.001","8.506","0.0001","90","","105.2","0.01","90","","686.11","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diacetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C12 H7 Cu N6 O2 -","- C12 H7 Cu N6 O2 -","- C24 H14 Cu2 N12 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0338","0.0305","","","0.0836","0.0854","","","","","","1.066","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207532","7.378","0.002","8.246","0.003","9.217","0.002","84.82","0.02","74.28","0.02","88.3","0.02","537.6","0.3","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","acetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C10 H4 Cu N5 O2 -","- C10 H4 Cu N5 O2 -","- C20 H8 Cu2 N10 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.054","0.0311","","","0.0792","0.0864","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207533","5.8384","0.0002","9.1212","0.0003","22.1209","0.0007","90","","94.571","0.002","90","","1174.26","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0868","0.0544","","","0.1335","0.1532","","","","","","1.032","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207534","11.4528","0.0005","6.3801","0.0003","17.643","0.001","90","","90.489","0.002","90","","1289.13","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C44 H44 N12 O28 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0496","0.0384","","","0.0934","0.1007","","","","","","1.071","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207535","10.8821","0.0004","7.6597","0.0003","16.4743","0.0006","90","","103.612","0.003","90","","1334.62","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0581","0.0399","","","0.1076","0.1171","","","","","","1.066","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207536","6.6109","0.0001","6.9719","0.0002","13.9678","0.0003","93.855","0.001","97.257","0.001","101.429","0.001","623.14","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C24 H28 N4 O10 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0563","0.046","","","0.1197","0.1275","","","","","","1.061","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207537","7.4022","0.0001","13.3198","0.0003","15.1641","0.0003","109.418","0.001","93.784","0.001","104.67","0.001","1345.5","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C48 H52 N12 O28 -","4","2","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0804","0.0586","","","0.144","0.1599","","","","","","1.052","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207538","6.5358","0.0002","7.6095","0.0003","11.8452","0.0004","79.803","0.002","78.578","0.002","75.337","0.002","553.61","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0933","0.0551","","","0.1244","0.1445","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207539","20.264","0.002","15.8241","0.0016","16.1914","0.0016","90","","113.573","0.003","90","","4758.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H20.5 N7 O7.25 Zn -","- C18 H15 N6 O2 Zn -","- C144 H120 N48 O16 Zn8 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1165","0.0674","","","0.1466","0.167","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207540","31.7755","0.0007","31.7755","0.0007","16.0824","0.0005","90","","90","","90","","16238.1","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H68 Co3 N24 O31 -","- C51 H42 Co3 N24 O31 -","- C408 H336 Co24 N192 O248 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1186","0.0736","","","0.2197","0.237","","","","","","1.011","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207541","35.5716","0.0007","34.6846","0.0007","37.7791","0.0008","90","","90","","90","","46611.4","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C204 H180 Cl14 Cu8 N72 O63 -","- C204 H170 Cl14 Cu8 N72 O63 -","- C1632 H1360 Cl112 Cu64 N576 O504 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1039","0.0772","","","0.2109","0.2266","","","","","","1.034","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207542","8.3699","0.0014","16.482","0.003","17.686","0.003","90","","90","","90","","2439.8","0.7","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C18 H20 Cd N7 O6 -","- C18 H15 Cd N6 O2 -","- C72 H60 Cd4 N24 O8 -","4","0.25","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.0551","0.0427","","","0.0953","0.1025","","","","","","1.008","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207543","16.2938","0.0004","19.3536","0.0004","38.9277","0.0009","90","","90","","90","","12275.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H57 Cd2 N22 O19.5 -","- C51 H58.5 Cd2 N22 O19.5 -","- C408 H468 Cd16 N176 O156 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1122","0.0985","","","0.2269","0.2321","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207544","19.756","0.003","16.208","0.002","19.19","0.003","90","","98.206","0.004","90","","6081.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N22 O17 Zn2 -","- C51 H42 N22 O17 Zn2 -","- C204 H168 N88 O68 Zn8 -","4","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1318","0.0975","","","0.2572","0.2825","","","","","","1.048","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207545","12.581","0.008","13.474","0.009","17.579","0.017","107.462","0.015","95.017","0.016","115.509","0.01","2483","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H98 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.1071","0.0734","","","0.1816","0.198","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207546","13.502","0.002","31.969","0.005","12.229","0.002","90","","113.405","0.003","90","","4844.3","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H92 As2 Cu9 N16 O74 W18 -","- C24 H80 As2 Cu9 N16 O74 W18 -","- C48 H160 As4 Cu18 N32 O148 W36 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.0565","0.0432","","","0.1022","0.1091","","","","","","1.037","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207547","5.706","0.0002","11.967","0.0005","8.3401","0.0004","90","","104.273","0.002","90","","551.91","0.04","298","2","298","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0438","0.0365","","","0.0896","0.0943","","","","","","1.03","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207548","5.2927","0.0002","17.2524","0.0012","6.8518","0.0004","90","","98.865","0.003","90","","618.18","0.06","298","1","298","1","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0528","0.0364","","","0.0754","0.0823","","","","","","1.039","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207549","5.652","0.0003","11.924","0.0006","8.322","0.0006","90","","104.76","0.003","90","","542.35","0.06","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0667","0.0497","","","0.114","0.1239","","","","","","0.994","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207550","5.2554","0.0001","17.1944","0.0006","6.821","0.0002","90","","98.774","0.002","90","","609.16","0.03","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0529","0.05","","","0.1137","0.1166","","","","","","1.058","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207551","9.5767","0.0012","12.7646","0.0017","13.9388","0.0018","90","","90.758","0.002","90","","1703.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Antipyrine)(4-Aminobenzoic acid)","Antipyrine 4-Aminobenzoic acid (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","2","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0731","0.0482","","","0.1071","0.1191","","","","","","1.016","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207552","15.557","0.002","17.056","0.003","19.782","0.003","80.658","0.005","78.559","0.007","77.168","0.006","4977.6","1.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2(Phenazine)(4-Aminobenzoic acid)","Phenazine 4-Aminobenzoic acid (2/1)","","- C31 H23 N5 O2 -","- C31 H23 N5 O2 -","- C248 H184 N40 O16 -","8","4","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.6889","Synchrotron","","0.0928","0.0709","","","0.1999","0.2304","","","","","","1.111","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207553","8.958","0.003","5.1788","0.0014","14.357","0.004","90","","106.109","0.004","90","","639.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2,2'-Bipyridine)(Succinic acid)","2,2'-Bipyridine Succinic acid (1/1)","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","0.5","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0486","0.0391","","","0.0976","0.1017","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207554","14.654","0.004","5.554","0.0014","16.288","0.004","90","","90.471","0.004","90","","1325.6","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(Diphenylcyclopropenone)(Succinic Acid)","Diphenylcyclopropenone Succinic acid (2/1)","","- C17 H13 O3 -","- C17 H13 O3 -","- C68 H52 O12 -","4","1","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0563","0.0474","","","0.1261","0.1333","","","","","","1.053","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207555","9.916","0.007","9.185","0.006","11.738","0.007","90","","90","","90","","1069.1","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-butylidene-4-hydroxybenzohydrazide","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1495","0.0578","","","0.0986","0.1221","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207556","9.835","0.003","9.153","0.003","11.37","0.005","90","","90","","90","","1023.5","0.6","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0532","0.0462","","","0.1203","0.129","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207557","9.875","0.002","9.103","0.003","11.59","0.005","90","","90","","90","","1041.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0636","0.0424","","","0.0959","0.1073","","","","","","1.055","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207558","9.968","0.005","8.082","0.005","13.267","0.008","90","","90","","90","","1068.8","1.1","368","2","368","2","","","","","","","","4","P n a 21","P 2c -2n","33","N'-2-propylidene-4-hydroxybenzohydrazide","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0974","0.0642","","","0.1763","0.2047","","","","","","1.121","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207559","9.008","0.001","7.064","0.001","15.833","0.002","90","","90","","90","","1007.5","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.089","0.0967","","","","","","0.91","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207560","9.157","0.004","7.196","0.003","15.566","0.006","90","","90","","90","","1025.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.049","0.037","","","0.0901","0.0974","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207561","9.818","0.006","10.485","0.008","11.333","0.008","90","","90","","90","","1166.6","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-cyclohexylidene-4-hydroxybenzohydrazide'","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1047","0.0535","","","0.1144","0.1382","","","","","","1.009","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207562","8.415","0.004","16.247","0.007","7.729","0.003","90","","112.6","0.03","90","","975.6","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N'-cyclobutylidene-4-hydroxybenzohydrazide'","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0571","0.043","","","0.106","0.1165","","","","","","1.109","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207563","7.4965","0.0002","11.4692","0.0004","12.3648","0.0005","68.093","0.002","88.655","0.002","81.853","0.002","975.89","0.06","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","","Yang, Caiqin; Zhang, Zhenwei; Zeng, Yanli; Wang, Jing; Wang, Yongli; Ma, Baoqing","Structures and characterization of m-nisoldipine polymorphs","CrystEngComm","2012","14","7","2589","","10.1039/c2ce06359j","","","0.7107","MoKα","","0.1149","0.0676","","","0.1872","0.2265","","","","","","1.01","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207564","17.0708","0.0014","11.9644","0.001","11.0576","0.0009","90","","106.189","0.001","90","","2168.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl F N3 O -","- C23 H33 Cl F N3 O -","- C92 H132 Cl4 F4 N12 O4 -","4","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.0611","0.0499","","","0.1075","0.1136","","","","","","1.025","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207565","7.485","0.01","8.578","0.009","16.794","0.018","82.718","0.017","85.478","0.017","84.883","0.011","1063","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cl F N3 -","- C23 H31 Cl F N3 -","- C46 H62 Cl2 F2 N6 -","2","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.1063","0.0741","","","0.1953","0.242","","","","","","1.047","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207566","13.1622","0.0015","7.2427","0.0008","17.7408","0.0019","90","","103.584","0.002","90","","1643.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H13 Co N2 O5 -","- C18 H11 Co N2 O5 -","- C72 H44 Co4 N8 O20 -","4","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0424","0.0353","","","0.0901","0.0942","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207567","17.795","0.002","14.8776","0.0019","16.052","0.002","90","","109.14","0.002","90","","4014.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Co N2 O7 -","- C18 H13 Co N2 O7 -","- C144 H104 Co8 N16 O56 -","8","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0793","0.0611","","","0.1845","0.1984","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207568","7.883","0.002","8.697","0.003","12.506","0.004","90","","97.74","0.03","90","","849.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0435","0.0397","","","0.0942","0.0968","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207569","8.1339","0.0003","8.7424","0.0004","12.4779","0.0005","90","","96.933","0.004","90","","880.81","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0447","0.0366","","","0.0897","0.0956","","","","","","1.052","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207570","6.971","0.006","19.508","0.017","7.26","0.006","90","","114.603","0.013","90","","897.7","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0551","0.0486","","","0.1301","0.1356","","","","","","1.085","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207571","3.7408","0.0007","17.352","0.002","12.558","0.002","90","","95.76","0.016","90","","811","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0739","0.052","","","0.1146","0.1351","","","","","","1.04","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207572","3.8701","0.0004","17.3536","0.0018","12.4978","0.0013","90","","95.859","0.002","90","","834.97","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0502","0.0424","","","0.1038","0.1081","","","","","","1.056","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207573","8.2124","0.0007","18.5162","0.0017","34.876","0.003","90","","90","","90","","5303.3","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dutasteride hemihydrate","","","- C54 H62 F12 N4 O5 -","- C54 H62 F12 N4 O5 -","- C216 H248 F48 N16 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0761","0.066","","","0.177","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207574","7.9357","0.0007","9.105","0.0008","11.1952","0.0009","73.746","0.001","88.687","0.001","86.193","0.001","774.85","0.11","294","2","294","2","","","","","","","","6","P 1","P 1","1","Dutasteride chloride hydrate ethanol solvate","","","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","1","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0479","0.0448","","","0.101","0.1031","","","","","","1.072","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207575","6.2064","0.0012","13.189","0.003","14.101","0.003","73.07","0.03","87.75","0.03","78.39","0.03","1081.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ba O10.5 S -","- C14 H17.04 Ba O10.52 S -","- C28 H34.08 Ba2 O21.04 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0494","0.0398","","","0.114","0.1219","","","","","","1.004","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207576","6.3038","0.0003","12.8616","0.0007","13.8616","0.0008","77.467","0.002","86.23","0.002","84.291","0.002","1090.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Ba O11 S -","- C17 H21 Ba O11 S -","- C34 H42 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0406","0.0395","","","0.1126","0.114","","","","","","1.003","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207577","6.3032","0.0007","13.0543","0.0014","13.9108","0.0015","76.742","0.001","86.683","0.001","83.306","0.001","1106","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H22 Ba N0 O11 S -","- C17.5 H22 Ba O11 S -","- C35 H44 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0246","0.0233","","","0.0703","0.0714","","","","","","0.994","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207578","6.3012","0.0005","14.0909","0.001","14.1544","0.001","113.043","0.001","91.63","0.001","93.08","0.001","1153.14","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Ba N O11 S -","- C19 H22 Ba N O11 S -","- C38 H44 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0277","0.0256","","","0.0739","0.0756","","","","","","1.04","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207579","6.3003","0.0002","14.0098","0.0004","14.6389","0.0004","64.98","0.001","89.644","0.001","89.075","0.001","1170.71","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H21.5 Ba N O11 S -","- C16.5 H21.5 Ba N O11 S -","- C33 H43 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0744","0.0758","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207580","6.273","0.0013","13.638","0.003","14.194","0.003","70.26","0.03","89.06","0.03","80.07","0.03","1124.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18.5 Ba F O10.25 S -","- C17 H18.5 Ba F O10.25 S -","- C34 H37 Ba2 F2 O20.5 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0655","0.0607","","","0.2201","0.2543","","","","","","1.002","","","","has coordinates,has disorder","189142","2020-10-21","18:00:00",""
"7207581","6.317","0.002","14.13","0.005","14.147","0.005","112.859","0.004","91.748","0.004","91.742","0.004","1161.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Ba O13.5 S -","- C14 H23 Ba O13.5 S -","- C28 H46 Ba2 O27 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.058","0.0549","","","0.1632","0.1675","","","","","","0.997","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207582","8.7652","0.0012","26.451","0.002","14.962","0.0018","90","","100.861","0.009","90","","3406.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 N20 O26 Zn3 -","- C48 H66 N20 O26 Zn3 -","- C96 H132 N40 O52 Zn6 -","2","0.5","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0745","0.0665","","","0.2114","0.2252","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207583","16.1042","0.0016","9.2778","0.0006","21.079","0.002","90","","101.627","0.006","90","","3084.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cd2 Cl4 N7 O2 -","- C24 H33 Cd2 Cl4 N7 O2 -","- C96 H132 Cd8 Cl16 N28 O8 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0626","0.0457","","","0.1325","0.1505","","","","","","0.988","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207584","25.184","0.015","17.768","0.011","16.452","0.008","90","","114.83","0.03","90","","6681","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H39 Cd1.5 N10 O12 -","- C24 H33 Cd1.5 N10 O12 -","- C192 H264 Cd12 N80 O96 -","8","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0995","0.0651","","","0.1648","0.1933","","","","","","1.096","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207585","9.1896","0.0008","14.2875","0.0013","27.356","0.002","90","","93.552","0.008","90","","3584.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H47 Cl3 Mn1.5 N7 O7 -","- C24 H33 Cl3 Mn1.5 N7 O7 -","- C96 H132 Cl12 Mn6 N28 O28 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.1099","0.077","","","0.2156","0.2457","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207586","9.7504","0.0001","9.7504","0.0001","21.2854","0.0015","90","","90","","120","","1752.5","0.13","123","2","123","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0126","0.0125","","","0.0296","0.0297","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207587","9.7193","0.0014","9.7193","0.0014","21.191","0.004","90","","90","","120","","1733.6","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')cerium(III)]","","- C9 H18 Ce2 O24 -","- C9 H18 Ce2 O24 -","- C27 H54 Ce6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","x-ray","0.71073","MoKα","","0.0133","0.0127","","","0.0358","0.0361","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207588","9.7612","0.0004","9.7612","0.0004","21.3097","0.0009","90","","90","","120","","1758.39","0.13","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')praseodymium(III)]","","- C9 H18 O24 Pr2 -","- C9 H18 O24 Pr2 -","- C27 H54 O72 Pr6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0274","0.0276","","","","","","1.176","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207589","9.6974","0.0001","9.6974","0.0001","20.976","0.0005","90","","90","","120","","1708.3","0.05","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')neodymium(III)]","","- C9 H18 Nd2 O24 -","- C9 H18 Nd2 O24 -","- C27 H54 Nd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.016","0.0146","","","0.0292","0.0296","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207590","9.6396","0.0008","9.6396","0.0008","20.7433","0.0016","90","","90","","120","","1669.3","0.2","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')gadolinium(III)]","","- C9 H18 Gd2 O24 -","- C9 H18 Gd2 O24 -","- C27 H54 Gd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0187","0.0179","","","0.0391","0.0394","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207591","9.5813","0.0002","9.5813","0.0002","20.4715","0.0006","90","","90","","120","","1627.53","0.07","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')erbium(III)]","","- C9 H18 Er2 O24 -","- C9 H18 Er2 O24 -","- C27 H54 Er6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0133","0.0132","","","0.0357","0.0357","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207592","9.5548","0.0001","9.5548","0.0001","20.4006","0.0004","90","","90","","120","","1612.93","0.04","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')ytterbium(III)]","","- C9 H18 O24 Yb2 -","- C9 H18 O24 Yb2 -","- C27 H54 O72 Yb6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0137","0.0132","","","0.0366","0.0367","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207593","6.80704","0.00007","20.73858","0.00018","6.449","0.00006","90","","76.4302","0.0005","90","","884.981","0.015","298","2","298","","","","","","","","","3","P 1 21 1","P 2yb","4","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3- one","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3-one","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Gomez, Ariel; Antonio, Selma Gutierrez; Barros de Araujo, Gabriel Lima; Ferreira, Fabio Furlan; Paiva-Santos, Carlos Oliveira","Crystal structure of isotibolone: a major degradation product of tibolone","CrystEngComm","2012","14","8","2826","","10.1039/c2ce06504e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.845","","","","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207594","6.6573","0.0013","8.1256","0.0014","18.128","0.003","95.391","0.01","97.999","0.012","104.439","0.014","931.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","242 (3-pyridyl)-CONH-N=CH-(2-pyridyl), hexanoic acid hydrate","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1249","0.063","","","0.1541","0.1825","","","","","","0.894","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207595","6.661","0.0008","8.4541","0.0011","19.684","0.002","99.459","0.008","94.349","0.009","107.887","0.008","1031.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF241 formylpyridine phenylhydrazone, octanoic acid, hydrate","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1322","0.0679","","","0.1609","0.1858","","","","","","0.847","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207596","6.6047","0.0008","8.0678","0.0009","15.3573","0.0018","98.182","0.006","101.688","0.008","104.436","0.009","759.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF363 [4-pyridyl-CONH-N=CH-2-pyridyl] adipic acid","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.078","0.0589","","","0.1523","0.1713","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207597","6.6074","0.0006","8.1545","0.0007","15.8735","0.0014","81.488","0.006","83.679","0.006","75.024","0.007","814.8","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF357 [(3-pyridyl)-CONH-N=CH-(2-pyridyl)]2, octanedioic acid hydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1044","0.0541","","","0.13","0.1572","","","","","","0.934","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207598","6.5516","0.0004","8.1666","0.0005","33.7458","0.0019","94.293","0.003","93.041","0.003","105.225","0.003","1732.32","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","SF 356 (4-pyridyl)-CONH-N=CH-(2-pyridyl), decanedioic acid","","- C34 H42 N8 O8 -","- C34 H42 N8 O8 -","- C68 H84 N16 O16 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1133","0.0508","","","0.1141","0.1388","","","","","","1.013","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207599","8.8995","0.0002","14.6202","0.0004","14.0267","0.0003","90","","93.198","0.002","90","","1822.21","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C20 (4-pyridyl)-CONH-N=CH-(2-pyridyl), 4-aminobenzoic acid hydrate ?","","- C19 H19 N5 O4 -","- C19 H19 N5 O4 -","- C76 H76 N20 O16 -","4","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0673","0.042","","","0.0997","0.1129","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207600","6.6065","0.0014","7.2295","0.0017","21.354","0.004","92.457","0.013","97.668","0.014","116.706","0.015","896.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","SF228 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 3-fluorobenzoic acid","","- C19 H17 F N4 O4 -","- C19 H17 F N4 O4 -","- C38 H34 F2 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.172","0.0624","","","0.1467","0.1947","","","","","","0.885","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207601","7.4376","0.0002","12.3798","0.0004","39.348","0.0011","90","","93.396","0.002","90","","3616.64","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SF355 4-pyridyl-CONH-N=CH-2-pyridyl, 2,4-difluorobenzoic acid hydrate","","- C19 H16 F2 N4 O4.1 -","- C19 H16 F2 N4 O4.1 -","- C152 H128 F16 N32 O32.8 -","8","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0713","0.054","","","0.1381","0.1528","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207602","6.5983","0.0013","7.2343","0.0014","19.755","0.004","81.922","0.011","84.772","0.014","80.711","0.016","919.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF229 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 4-nitrobenzoic acid hydrate","","- C19 H17 N5 O6 -","- C19 H17 N5 O6 -","- C38 H34 N10 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1363","0.0866","","","0.2181","0.2475","","","","","","0.924","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207603","4.8122","0.0003","8.8128","0.0005","11.0772","0.0006","75.874","0.003","80.095","0.003","76.225","0.003","439.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF41 4-pyridyl-CONH-N=CH-4-pyridyl, succinic acid dihydrate","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0576","0.0491","","","0.1586","0.1659","","","","","","1.318","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207604","6.8908","0.0003","11.3841","0.0006","12.6504","0.0006","66.395","0.002","89.086","0.002","84.907","0.002","905.54","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF807 [(4-pyridyl)-CONH-N=CH-(4-pyridyl)], hexanedioic acid hydrate","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0848","0.055","","","0.1322","0.1458","","","","","","1.05","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207605","6.918","0.002","11.8","0.004","13.91","0.005","67.522","0.016","79.851","0.016","84.973","0.016","1032.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF40 4-pyridyl-CONH-N=CH-4-pyridyl, octanedioic acid hydrate","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1177","0.0629","","","0.1621","0.2042","","","","","","1.024","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207606","7.363","0.004","12.292","0.006","12.305","0.006","118.571","0.008","90.144","0.009","98.023","0.008","965.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-glutaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido [3,2-b:2',3'-e]diazepin-6-one pentanedioic acid 1:1 co-crystal","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C40 H44 N8 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0537","0.0352","","","0.0798","0.0884","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207607","7.4001","0.0005","10.4599","0.0007","23.2561","0.0016","90","","98.968","0.001","90","","1778.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nevirapine-maleic acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one (Z)-butenedioic acid 1:1 co-crystal","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0621","0.0413","","","0.0942","0.1035","","","","","","1.032","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207608","9.5649","0.0005","13.8069","0.0007","13.8726","0.0007","64.09","0.003","79.292","0.002","82.686","0.002","1616.98","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","nevirapine-saccharin 2:1 cocrystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 1,2-benzoisothiazol-3(2H)-one 1,1-dioxide 1:1 co-crystal","","- C37 H33 N9 O5 S -","- C37 H33 N9 O5 S -","- C74 H66 N18 O10 S2 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0855","0.0459","","","0.1035","0.1206","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207609","11.1549","0.0014","12.6194","0.0015","13.4644","0.0016","113.374","0.002","99.133","0.002","107.324","0.002","1575.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-salicylic acid 2:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 2-hydroxybenzoic acid 2:1 co-crystal","","- C37 H34 N8 O5 -","- C37 H34 N8 O5 -","- C74 H68 N16 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0899","0.0664","","","0.1851","0.2077","","","","","","1.042","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207610","9.877","0.002","19.286","0.004","9.6971","0.0019","90","","90.66","0.03","90","","1847.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nevirapine-rac-tartaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one rac-2,3-dihydroxybutanedioic acid 1:1 co-crystal","","- C19 H20 N4 O7 -","- C19 H20 N4 O7 -","- C76 H80 N16 O28 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0518","0.0355","","","0.0795","0.0876","","","","","","1.03","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207611","17.0461","0.0006","21.6229","0.0009","9.8505","0.0004","90","","90","","90","","3630.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H33 Br2 Cu6 N13 -","- C7 Br2 Cu6 N7 -","- C28 Br8 Cu24 N28 -","4","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.086","0.0595","","","0.1401","0.1507","","","","","","1.01","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207612","7.0962","0.0002","12.4549","0.0007","13.158","0.0005","68.16","0.004","83.115","0.003","81.834","0.003","1065.68","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Br2 Cu7 N14 -","- C8 Br2 Cu7 N8 -","- C8 Br2 Cu7 N8 -","1","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.0735","0.0537","","","0.1558","0.1687","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207613","8.2543","0.0011","12.6631","0.0016","14.1054","0.0018","99.035","0.002","98.947","0.002","95.887","0.002","1426.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Co N4 O6 -","- C29 H32 Co N4 O6 -","- C58 H64 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0604","0.0435","","","0.1306","0.1498","","","","","","0.851","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207614","9.866","0.006","11.392","0.007","11.936","0.007","63.328","0.008","79.908","0.008","88.633","0.008","1177.9","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N2 O8 -","- C22 H21 Co N2 O7.056 -","- C44 H42 Co2 N4 O14.112 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0682","0.0559","","","0.1721","0.1789","","","","","","1.177","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207615","9.352","0.0019","12.509","0.003","12.643","0.003","66.32","0.03","80.84","0.03","79.86","0.03","1326.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","- C52 H56 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0732","0.0609","","","0.1739","0.1883","","","","","","1.053","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207616","11.326","0.002","11.827","0.002","17.784","0.003","94.695","0.002","104.155","0.002","100.96","0.002","2247","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cd2 N12 O19 -","- C32 H50 Cd2 N12 O19 -","- C64 H100 Cd4 N24 O38 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0387","0.0291","","","0.0703","0.0764","","","","","","1.026","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207617","9.3161","0.0012","10.4338","0.0013","11.5703","0.0015","87.702","0.001","68.257","0.001","69.207","0.001","971.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0278","0.025","","","0.0634","0.0652","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207618","7.7344","0.0011","9.9796","0.0014","11.6303","0.0016","88.084","0.002","78.895","0.002","70.193","0.002","828.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cd N3 O8 -","- C13 H18 Cd N3 O8 -","- C26 H36 Cd2 N6 O16 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0359","0.0329","","","0.0895","0.0922","","","","","","1.073","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207619","10.3443","0.0014","10.6769","0.0014","11.0401","0.0015","81.775","0.002","66.024","0.001","70.742","0.001","1051.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N6 O6 -","- C16 H20 Cd N6 O6 -","- C32 H40 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0394","0.0306","","","0.0682","0.0714","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207620","10.2191","0.0009","11.4377","0.0011","12.0542","0.0011","70.013","0.001","65.168","0.001","68.592","0.001","1160.43","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cd N6 O6 -","- C19 H26 Cd N6 O6 -","- C38 H52 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0286","0.0257","","","0.0656","0.0674","","","","","","1.057","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207621","7.9338","0.0009","9.7756","0.0011","10.6865","0.0012","87.166","0.001","77.817","0.001","70.773","0.001","764.78","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cd N3 O6 -","- C13 H16 Cd N3 O6 -","- C26 H32 Cd2 N6 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0221","0.0195","","","0.0466","0.0478","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207622","11.995","0.005","11.236","0.005","10.403","0.005","90","","99.09","0.007","90","","1384.5","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0517","0.0394","","","0.1009","0.1078","","","","","","1.067","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207623","11.3275","0.0012","20.489","0.002","7.8699","0.0008","90","","131.549","0.001","90","","1366.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0341","0.0326","","","0.0837","0.0851","","","","","","1.063","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207624","9.016","0.004","9.765","0.005","10.068","0.005","67.731","0.009","78.939","0.008","86.504","0.009","805","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C32 H38 N2 O12 S2 -","2","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.1064","0.0549","","","0.1167","0.1296","","","","","","0.951","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207625","13.8424","0.0013","7.2425","0.0007","18.778","0.0018","90","","104.95","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0482","0.0456","","","0.1266","0.1287","","","","","","1.124","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207626","7.865","0.0019","26.831","0.007","8.552","0.002","90","","90","","90","","1804.7","0.8","293","2","293","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0601","0.0393","","","0.0856","0.1045","","","","","","0.999","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207627","28.713","0.002","9.399","0.007","16.6487","0.0012","90","","126.015","0.009","90","","3634","3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O6 S2 -","- C16 H19 N O6 S2 -","- C128 H152 N8 O48 S16 -","8","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.2781","0.1572","","","0.388","0.5387","","","","","","1.068","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207628","9.227","","9.227","","43.99","0.003","90","","90","","90","","3745.2","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H13 Br3 N2 O7 Pb -","- C11 H13 Br3 N2 O7 Pb -","- C88 H104 Br24 N16 O56 Pb8 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0396","0.0341","","","0.0805","0.0826","","","","","","1.069","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207629","9.0731","0.0008","6.9348","0.0006","11.9935","0.0011","90","","95.716","0.001","90","","750.88","0.12","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H10 Br3 N O7 Pb -","- C9 H10 Br3 N O7 Pb -","- C18 H20 Br6 N2 O14 Pb2 -","2","0.5","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.028","0.0242","","","0.0586","0.0602","","","","","","1.079","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207630","7.5364","0.0006","9.2515","0.0007","12.6753","0.0009","70.76","0.001","73.909","0.001","66.4","0.001","753.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br3 N O8 Pb -","- C8 H10 Br3 N O8 Pb -","- C16 H20 Br6 N2 O16 Pb2 -","2","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0511","0.0467","","","0.1223","0.1355","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207631","19.45","0.003","20.139","0.005","8.06","0.002","90","","110.07","0.03","90","","2965.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0538","0.0518","","","0.1435","0.1461","","","","","","1.107","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207632","18.479","0.004","22.36","0.005","8.248","0.0016","90","","100.64","0.03","90","","3349.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0325","0.0309","","","0.0835","0.0851","","","","","","1.075","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207633","18.037","0.004","22.43","0.005","8.139","0.0016","90","","100.63","0.03","90","","3236.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0514","0.0498","","","0.1322","0.1346","","","","","","1.04","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207634","20.3","0.004","20.143","0.004","8.147","0.0016","90","","109.71","0.03","90","","3136.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0382","0.0376","","","0.0938","0.0946","","","","","","1.072","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207635","9.4455","0.0003","7.8767","0.0002","17.2532","0.0005","90","","98.352","0.002","90","","1270.01","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil methylparaben","","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0864","0.0888","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207636","9.3357","0.0002","8.3056","0.0002","17.3542","0.0005","90","","90.854","0.002","90","","1345.47","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil propylparaben","","","- C32 H31 N3 O7 -","- C32 H31 N3 O7 -","- C64 H62 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0478","0.041","","","0.0963","0.1002","","","","","","1.035","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207637","9.5476","0.0012","8.1881","0.001","16.673","0.002","90","","96.305","0.009","90","","1295.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil hydrocinnamic acid","","","- C31 H29 N3 O6 -","- C31 H29 N3 O6 -","- C62 H58 N6 O12 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0514","0.042","","","0.0957","0.1007","","","","","","0.98","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207638","24.189","0.003","9.4989","0.001","17.9964","0.0019","90","","126.011","0.001","90","","3344.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O5 Zn -","- C18 H15 N2 O5 Zn -","- C144 H120 N16 O40 Zn8 -","8","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0349","0.0261","","","0.0608","0.0651","","","","","","1.041","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207639","8.6436","0.0016","14.894","0.003","17.462","0.003","90","","90","","90","","2248","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0785","0.0441","","","0.0906","0.1064","","","","","","1.043","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207640","8.3071","0.001","8.3924","0.0011","10.1349","0.0013","99.445","0.001","101.382","0.001","106.488","0.001","645.73","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O5 Zn -","- C13 H11 N2 O5 Zn -","- C26 H22 N4 O10 Zn2 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0266","0.0235","","","0.0564","0.0578","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207641","10.132","0.0017","10.4262","0.0017","11.8021","0.0019","72.703","0.002","82.516","0.002","64.173","0.002","1071.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","1","0.5","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0603","0.0442","","","0.1136","0.1229","","","","","","1.07","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207642","10.203","0.005","14.382","0.008","14.783","0.008","89.622","0.007","77.435","0.007","87.157","0.007","2114.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N8 O10 Zn2 -","- C46 H40 N8 O10 Zn2 -","- C92 H80 N16 O20 Zn4 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.1845","0.1035","","","0.2352","0.2821","","","","","","1.013","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207643","8.0419","0.0003","8.3021","0.0004","14.7143","0.0007","92.045","0.004","97.07","0.003","95.305","0.003","969.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ag4 N6 O9 -","- C14 H14 Ag4 N6 O9 -","- C28 H28 Ag8 N12 O18 -","2","1","","Yeşilel, Okan Zafer; Günay, Güneş; Darcan, Cihan; Soylu, Mustafa Serkan; Keskin, Seda; Ng, Seik Weng","An unusual 3D metal‒organic framework, {[Ag4(μ4-pzdc)2(μ-en)2]·H2O}n: C‒H⋯Ag, N‒H⋯Ag and (O‒H)⋯Ag interactions and an unprecedented coordination mode for pyrazine-2,3-dicarboxylate","CrystEngComm","2012","14","8","2817","","10.1039/c2ce06603c","","","0.71073","MoKα","","0.0286","0.0251","","","0.0753","0.0782","","","","","","1.126","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207644","23.9938","0.0005","7.2021","0.0002","14.5155","0.0003","90","","90","","90","","2508.36","0.1","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 Cu N26 O2 -","- C10 H30 Cu N26 O2 -","- C40 H120 Cu4 N104 O8 -","4","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.045","0.0317","","","0.0813","0.0908","","","","","","0.831","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207645","11.9182","0.0003","7.2555","0.0002","14.557","0.0004","90","","98.464","0.002","90","","1245.07","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H28 N26 Ni O2 -","- C10 H28 N26 Ni O2 -","- C20 H56 N52 Ni2 O4 -","2","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0348","0.0302","","","0.0802","0.0832","","","","","","1.074","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207646","7.9461","0.0006","8.2084","0.0006","12.887","0.001","77.665","0.005","74.131","0.004","71.317","0.004","758.55","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cu N14 O2 -","- C6 H18 Cu N14 O2 -","- C12 H36 Cu2 N28 O4 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0625","0.0447","","","0.1302","0.1416","","","","","","1.078","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207647","7.0326","0.0002","8.4673","0.0003","12.2837","0.0004","103.133","0.001","98.02","0.001","105.275","0.001","671.51","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu N14 -","- C6 H16 Cu N14 -","- C12 H32 Cu2 N28 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0359","0.0304","","","0.0986","0.1031","","","","","","1.108","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207648","9.6939","0.001","14.8594","0.0015","16.3712","0.0016","106.433","0.005","105.99","0.005","102.997","0.004","2053.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H54 Co2 N42 O3 -","- C18 H54 Co2 N42 O3 -","- C36 H108 Co4 N84 O6 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0326","0.0273","","","0.072","0.0759","","","","","","1.037","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207649","6.2611","0.0013","6.4887","0.0013","12.483","0.003","90","","90","","90","","507.14","0.19","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H12 Ag N5 S -","- C7 H12 Ag N5 S -","- C14 H24 Ag2 N10 S2 -","2","0.5","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.019","0.019","","","0.0534","0.0534","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207650","10.505","0.002","7.7023","0.0015","16.84","0.003","90","","95","0.03","90","","1357.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Ag2 N6 S2 -","- C8 H12 Ag2 N6 S2 -","- C32 H48 Ag8 N24 S8 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0253","0.0241","","","0.0681","0.069","","","","","","1.149","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207651","6.3439","0.0013","14.097","0.003","7.3832","0.0015","90","","97.69","0.03","90","","654.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H6 Ag N3 S -","- C4 H6 Ag N3 S -","- C16 H24 Ag4 N12 S4 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0222","0.0212","","","0.0544","0.055","","","","","","1.116","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207652","45.797","0.002","5.4342","0.0003","17.5936","0.0009","90","","102.16","0.003","90","","4280.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 K N2 O8 S -","- C17 H25 K N2 O8 S -","- C136 H200 K8 N16 O64 S8 -","8","1","","Ong, Winston; Cheung, Eugene Y.; Schultz, Karen A.; Smith, Cartney; Bourassa, James; Hickey, Magali B.","Sodium and potassium salts of bumetanide trihydrate: Impact of counterion on structure, aqueous solubility and dehydration kinetics","CrystEngComm","2012","14","7","2428","","10.1039/c2ce06631a","","","0.71073","MoKα","","0.0477","0.036","","0.0788","0.0697","0.0788","","","","","","1.0355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207653","11.7361","0.0006","11.1568","0.0009","10.1886","0.0006","90","","110.205","0.006","90","","1251.97","0.15","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1233","0.088","","","0.1612","0.174","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207654","16.7545","0.0015","9.866","0.0008","7.1799","0.0005","90","","90","","90","","1186.84","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","0.71073","MoKα","","0.078","0.0563","","","0.1149","0.1243","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207655","14.5136","0.001","6.8344","0.0003","12.4979","0.0006","90","","104.762","0.006","90","","1198.77","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1035","0.064","","","0.126","0.1332","","","","","","1.106","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207656","12.6733","0.0011","20.6887","0.0019","10.2529","0.0007","90","","118.458","0.009","90","","2363.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","co-crystal phenobarbital + nembutal","","","- C23 H30 N4 O6 -","- C23 H24.94 N4 O6 -","- C92 H99.76 N16 O24 -","4","0.5","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1182","0.1026","","","0.1762","0.1813","","","","","","1.092","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207657","11.8675","0.001","21.824","0.003","10.2201","0.0009","90","","110.476","0.009","90","","2479.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nembutal, pentobarbital","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C88 H144 N16 O24 -","8","2","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1538","0.0874","","","0.1315","0.1469","","","","","","1.078","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207658","14.583","0.002","27.006","0.004","23.412","0.004","90","","107.795","0.01","90","","8779","2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C92 H128 O15 -","- C92 H128 O15 -","- C368 H512 O60 -","4","1","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0731","0.0414","","","0.0973","0.107","","","","","","0.958","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207659","14.553","0.004","21.508","0.003","31.576","0.008","91.43","0.02","100.11","0.02","90.91","0.02","9725","4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H132 I3 N O15 -","- C89 H132 I3.00015 N O15 -","- C356 H528 I12.0006 N4 O60 -","4","2","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0985","0.0527","","","0.1249","0.1482","","","","","","1.009","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207660","8.1283","0.0005","13.8659","0.0007","14.9447","0.0008","90","","97.473","0.003","90","","1670.05","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Caffeine:2-iodo-4nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0608","0.0443","","","0.1015","0.1111","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207661","8.0323","0.0005","13.7265","0.0008","15.3774","0.0009","90","","93.548","0.001","90","","1692.19","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-iodo-3nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0312","0.0256","","","0.0649","0.0687","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207662","7.795","0.0006","13.5627","0.0009","14.992","0.001","90","","95.657","0.001","90","","1577.25","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-chloro-3nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C56 H60 Cl4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0355","0.033","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207663","15.8624","0.0019","13.5643","0.0015","7.336","0.0009","90","","90","","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Caffeine:4-fluoro-3nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0568","0.0429","","","0.1106","0.1212","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207664","13.585","0.0006","13.9085","0.0006","17.5266","0.0008","90","","104.892","0.001","90","","3200.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-chloro-5nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C112 H120 Cl8 N48 O32 -","8","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0335","0.0298","","","0.0805","0.0834","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207665","10.5157","0.0007","10.7574","0.0007","13.6464","0.001","90","","100.179","0.001","90","","1519.41","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Caffeine:4nitroaniline","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C56 H64 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0474","0.0401","","","0.1192","0.1286","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207666","8.5624","0.0004","11.8197","0.0006","18.7587","0.001","88.269","0.001","77.089","0.001","72.212","0.001","1760.53","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Caffeine:2,4dinitrobenzoicacid","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C60 H56 N24 O32 -","4","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0714","0.0558","","","0.1464","0.1665","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207667","5.8784","0.0005","33.258","0.003","8.0008","0.0007","90","","92.806","0.002","90","","1562.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0673","0.0588","","","0.1406","0.1458","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207668","12.5652","0.0006","8.1475","0.0004","16.5266","0.0008","90","","93.688","0.002","90","","1688.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5-nitrobenzoicacid","","","- C15 H14 F N5 O6 -","- C15 H14 F N5 O6 -","- C60 H56 F4 N20 O24 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0582","0.0457","","","0.1274","0.1417","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207669","10.416","0.002","11.022","0.002","11.536","0.002","114.31","0.03","92.94","0.03","115.71","0.03","1044","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Co2(biphen)2(py)4).2EtOH","","","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0388","0.0347","","","0.0846","0.0875","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207670","11.119","0.002","12.486","0.003","13.342","0.003","111.49","0.03","113.74","0.03","95.46","0.03","1512.3","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","?[Co2(Biphen)2(3-pic)4].2(BiphenH2)","","","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0489","0.0337","","","0.0767","0.0811","","","","","","1.018","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207671","12.7876","0.0005","19.4297","0.0007","20.1892","0.0008","90","","103.649","0.004","90","","4874.5","0.3","149.9","","149.9","","","","","","","","Leigh F. Jones","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H87 Co8 N9 O18 -","- C104 H87 Co8 N9 O18 -","- C208 H174 Co16 N18 O36 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1285","0.0698","","0.0331","0.0232","0.0232","","","","","","1.1163","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207672","10.572","0.002","13.755","0.003","15.127","0.003","90","","94.03","0.03","90","","2194.3","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","(Co(L1H)(L2)2(NO3)).(L1H2)","","","- C50 H47 Co N5 O7 -","- C50 H47 Co N5 O7 -","- C100 H94 Co2 N10 O14 -","2","1","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1213","0.0736","","","0.1271","0.1542","","","","","","1.028","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207673","10.1508","0.0006","14.8829","0.0007","18.3001","0.0009","90","","101.469","0.005","90","","2709.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(biphenH)(t-bpe)1.5(NO3)]","","","- C60 H42 Co2 N8 O10 -","- C60 H42 Co2 N8 O10 -","- C120 H84 Co4 N16 O20 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1204","0.0695","","","0.1676","0.2023","","","","","","1.061","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207674","7.2188","0.0014","8.5282","0.0017","13.827","0.003","90.33","0.03","101.29","0.03","107.57","0.03","793.9","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","MOnohydrate of caffeine-4HBA (1:1)","MOnohydrate of caffeine-4HBA (1:1)","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C30 H36 N8 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0658","0.0581","","","0.13","0.1365","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207675","6.4211","0.0013","6.6058","0.0013","16.59","0.003","96.2","0.03","96.76","0.03","90.86","0.03","694.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C26 H36 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0445","0.0425","","","0.1102","0.1119","","","","","","1.088","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207718","6.7907","0.0003","39.3289","0.0018","15.507","0.0007","90","","97.857","0.002","90","","4102.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H54 Ag2 B36 Co2 N2 -","- C15 H54 Ag2 B36 Co2 N2 -","- C60 H216 Ag8 B144 Co8 N8 -","4","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0361","0.0273","","","0.0749","0.0868","","","","","","1.128","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207719","36.846","0.007","12.174","0.002","30.395","0.006","90","","102.93","0.03","90","","13288","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H90 Ag3 B54 Co3 N4 -","- C28 H90 Ag3 B54 Co3 N4 -","- C224 H720 Ag24 B432 Co24 N32 -","8","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0741","0.0491","","","0.1285","0.1451","","","","","","1.051","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207720","13.8493","0.0011","13.9797","0.001","15.3847","0.0012","91.493","0.006","110.928","0.007","109.633","0.007","2584","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","","- C43 H55 Cd2 N9 O13 -","- C43 H55 Cd2 N9 O13 -","- C86 H110 Cd4 N18 O26 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0519","0.0396","","","0.0947","0.1036","","","","","","1.02","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207721","10.2012","0.0006","10.2797","0.0006","14.2612","0.0007","94.523","0.004","91.481","0.004","115.168","0.006","1346.39","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","","- C23 H29 N5 O7 S2 Zn -","- C23 H29 N5 O7 S2 Zn -","- C46 H58 N10 O14 S4 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0686","0.0435","","","0.0812","0.0913","","","","","","1.023","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207722","21.709","0.003","6.593","0.0003","15.9532","0.0019","90","","133.85","0.02","90","","1646.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","","- C14 H14 Cd N2 O5 S2 -","- C14 H14 Cd N2 O5 S2 -","- C56 H56 Cd4 N8 O20 S8 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0251","0.0228","","","0.0548","0.0558","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207723","8.4248","0.0002","23.3062","0.0005","12.1929","0.0003","90","","93.277","0.002","90","","2390.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","","- C20 H24 Cd N4 O6 S -","- C20 H24 Cd N4 O6 S -","- C80 H96 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0493","0.0359","","","0.0852","0.0916","","","","","","1.093","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207724","10.9226","0.0003","22.3442","0.0004","17.7664","0.0004","90","","94.19","0.002","90","","4324.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","","- C18 H20 Cd N4 O6 S -","- C18 H20 Cd N4 O6 S -","- C144 H160 Cd8 N32 O48 S8 -","8","2","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0652","0.0401","","","0.0848","0.0944","","","","","","1.073","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207725","8.1727","0.0002","22.8786","0.0004","12.0939","0.0002","90","","92.5","0.002","90","","2259.16","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","","- C20 H24 N4 O6 S Zn -","- C20 H24 N4 O6 S Zn -","- C80 H96 N16 O24 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.039","0.0299","","","0.0745","0.0794","","","","","","1.011","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207726","13.924","0.004","14.118","0.003","14.651","0.004","104.3","0.02","116.29","0.03","102.62","0.02","2317.1","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","","- C40 H48 Cd2 N8 O12 -","- C40 H48 Cd2 N8 O12 -","- C80 H96 Cd4 N16 O24 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.308","0.1424","","","0.204","0.2986","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207727","7.8595","0.0007","8.8017","0.0007","9.0249","0.0008","100.43","0.007","93.113","0.007","92.86","0.007","611.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.1191","0.0581","","","0.1022","0.1271","","","","","","1.046","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207728","5.575","0.003","14.42","0.007","11.901","0.006","90","","103.109","0.008","90","","931.8","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 I2 N O -","- C5 H7 I2 N O -","- C20 H28 I8 N4 O4 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0304","","","0.0785","0.0864","","","","","","1.031","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207729","4.2383","0.0006","7.3655","0.001","7.8486","0.001","113.047","0.004","99.614","0.004","93.365","0.004","220.2","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","1","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0401","","","0.13","0.1307","","","","","","1.234","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207730","6.5418","0.0002","8.2834","0.0003","10.337","0.0003","90","","101.233","0.002","90","","549.41","0.03","120","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C16 H24 I4 N4 -","2","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0268","0.0184","","","0.039","0.0433","","","","","","1.033","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207731","15.9274","0.0007","11.0145","0.0004","8.7574","0.0004","90","","92.8","0.002","90","","1534.5","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 I4 N4 -","- C8 H12 I4 N4 -","- C32 H48 I16 N16 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0632","0.0491","","","0.09","0.0952","","","","","","1.191","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207732","7.7843","0.0016","12.857","0.003","13.002","0.003","113.73","0.03","106.34","0.03","92.43","0.03","1125.1","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O14 -","- C12 H20 N14 O14 -","- C24 H40 N28 O28 -","2","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.6889","Synchrotron","","0.0645","0.062","","0.1639","0.1601","0.1639","","","","","","1.025","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207733","10.3061","0.0003","10.7691","0.0003","14.5298","0.0004","73.897","0.002","89.527","0.002","85.057","0.002","1543.38","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane: 1,4-dioxane (1:4) Co-crystal","","- C10 H17 N6 O9.5 -","- C10 H17 N6 O9.5 -","- C40 H68 N24 O38 -","4","2","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0738","0.071","","0.1526","0.1482","0.1526","","","","","","0.9917","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207734","15.7503","0.0009","20.5096","0.0013","23.2073","0.0013","90","","90.092","0.002","90","","7496.7","0.8","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:","","- C13.33 H15.67 N16 O18.67 -","- C13.3333 H15.6667 N16 O18.6667 -","- C160 H188 N192 O224 -","12","3","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0627","0.0535","","0.1336","0.1264","0.1336","","","","","","0.9669","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207735","18.893","0.0003","12.07295","0.00013","21.8241","0.0004","90","","114.977","0.002","90","","4512.4","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6,8,10,12-hexanitrohexaazisowurtzitane:","","","- C24 H60 N21 O15 P3 -","- C24 H60 N21 O15 P3 -","- C96 H240 N84 O60 P12 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","1.5418","CuKα","","0.0535","0.0456","","0.137","0.1329","0.137","","","","","","1.0187","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207736","20.059","0.003","3.685","0.0004","21.004","0.003","90","","104.424","0.015","90","","1503.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C84 H48 O24 -","6","1.5","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","0.71073","MoKα","","0.1336","0.0696","","","0.1763","0.2013","","","","","","0.851","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207737","8.1319","0.0004","3.7102","0.0002","16.8711","0.0009","90","","100.455","0.005","90","","500.57","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C28 H16 O8 -","2","1","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","1.54178","CuKα","","0.06","0.0421","","","0.1026","0.1082","","","","","","0.966","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207738","33.6613","0.0018","9.1498","0.0005","13.0273","0.0007","90","","92.129","0.001","90","","4009.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Er3 N8 O24 -","- C29 H37 Er3 N8 O24 -","- C116 H148 Er12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0297","0.0273","","","0.0958","0.0978","","","","","","1","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207739","33.69","0.02","9.217","0.006","13.134","0.009","90","","92.256","0.007","90","","4075","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Ho3 N8 O24 -","- C29 H37 Ho3 N8 O24 -","- C116 H148 Ho12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0308","0.0248","","","0.0547","0.0574","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207740","33.765","0.003","9.2778","0.0009","13.2345","0.0013","90","","92.126","0.001","90","","4143.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N8 O24 Sm3 -","- C29 H37 N8 O24 Sm3 -","- C116 H148 N32 O96 Sm12 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0228","0.022","","","0.0631","0.0636","","","","","","1.088","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207741","33.699","0.003","9.1979","0.0008","13.104","0.0012","90","","92.117","0.001","90","","4058.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Dy3 N8 O24 -","- C29 H37 Dy3 N8 O24 -","- C116 H148 Dy12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0249","0.0236","","","0.0688","0.0696","","","","","","1.091","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207742","12.1992","0.0003","15.719","0.0005","25.8536","0.0008","90","","90","","90","","4957.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H22 N4 Ni2 O11 -","- C20 H27 N4 Ni2 O11 -","- C160 H216 N32 Ni16 O88 -","8","0.5","","Guo, Sheng-Qi; Tian, Dan; Zheng, Xiang; Zhang, Hong","A rare 4-connected neb topological metal‒organic framework with ferromagnetic characteristics","CrystEngComm","2012","14","9","3177","","10.1039/c2ce06202j","","","0.71073","MoKα","","0.0273","0.0255","","","0.0673","0.0678","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207743","22.9238","0.0017","22.9238","0.0017","22.9238","0.0017","90","","90","","90","","12046.5","1.5","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C36 H62 Fe N3 O19 P6 -","- C36 H60 Fe N3 O19 P6 -","- C288 H480 Fe8 N24 O152 P48 -","8","0.333333","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.1708","0.0678","","","0.166","0.2085","","","","","","0.82","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207744","20.403","0.008","26.51","0.01","30.721","0.004","90","","99.49","0.02","90","","16389","9","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C432 H720 Ag12 Cl12 Fe12 N36 O272 P72 -","4","1","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.3343","0.1041","","","0.1867","0.2684","","","","","","1.018","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207745","14.232","0.0015","14.6531","0.0016","15.1359","0.0018","77.195","0.002","67.084","0.001","65.102","0.001","2630.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N6 O44 P W12 -","- C21 H29 N6 O44 P W12 -","- C42 H58 N12 O88 P2 W24 -","2","1","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0738","0.0589","","","0.1591","0.1721","","","","","","1.013","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207746","20.303","0.003","20.303","0.003","53.196","0.011","90","","90","","120","","18990","6","298","2","298","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C72 H54 Cu6 N18 O80 P2 W24 -","- C72 H54 Cu6 N18 O80 P2 W24 -","- C432 H324 Cu36 N108 O480 P12 W144 -","6","0.166667","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0744","0.0455","","","0.1163","0.1484","","","","","","1.134","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207747","16.9679","0.0011","18.5233","0.0012","21.4289","0.0015","90","","90","","90","","6735.1","0.8","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H32 Cu3 N10 O41 P W12 -","- C40 H30 Cu3 N10 O41 P W12 -","- C160 H120 Cu12 N40 O164 P4 W48 -","4","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0559","0.0489","","","0.1374","0.1441","","","","","","1.09","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207748","22.232","0.005","13.209","0.003","11.173","0.003","90","","108.225","0.003","90","","3116.5","1.3","93","2","93","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Cu5 N8 O40.5 P W11 -","- C32 H24 Cu5 N8 O40.5 P W11 -","- C64 H48 Cu10 N16 O81 P2 W22 -","2","0.25","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0655","0.0581","","","0.1354","0.1394","","","","","","1.137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207749","18.2072","0.0018","25.709","0.002","26.639","0.003","94.661","0.002","106.296","0.002","108.962","0.002","11112.9","1.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H148 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C28 H112 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C56 H224 As8 Ce4 Cu15 N56 Na2 O344 W88 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1366","0.0684","","","0.148","0.1686","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207750","15.9375","0.0015","18.2356","0.0017","21.056","0.0019","114.312","0.001","90.885","0.002","94.344","0.002","5553.5","0.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H110 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.111","0.0813","","","0.1978","0.2123","","","","","","1.065","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207751","15.868","0.003","18.261","0.004","20.999","0.005","114.59","0.004","91.094","0.004","94.127","0.004","5511","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H106 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.158","0.077","","","0.1549","0.1741","","","","","","1.012","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207752","16.0145","0.0019","18.212","0.002","20.934","0.002","114.347","0.002","90.846","0.002","94.085","0.002","5541.9","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H53 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C20 H80 As4 Cu5 N20 Na6 O166 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1174","0.085","","","0.2143","0.2347","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207753","13.623","0.005","20.217","0.007","24.846","0.008","102.355","0.005","104.331","0.005","98.656","0.005","6325","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H120 As2 Cu5.5 Dy N22 O83 W22 -","- C33 H110 As2 Cu5.5 Dy N22 O83 W22 -","- C66 H220 As4 Cu11 Dy2 N44 O166 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0642","0.0441","","","0.1084","0.1159","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207754","16.026","0.003","18.284","0.003","21.007","0.003","114.067","0.002","90.834","0.003","94.387","0.003","5596.8","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H54 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C10 H40 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C20 H80 As4 Cu5 N20 Na6 Nd2 O167 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1192","0.0876","","","0.2203","0.2383","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207755","16.039","0.004","18.277","0.005","20.982","0.005","114.244","0.004","90.779","0.004","94.123","0.004","5587","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H56 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C20 H80 As4 Cu5 N20 Na6 O169 Sm2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1003","0.0651","","","0.1565","0.1721","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207756","16.976","0.003","37.375","0.007","19.576","0.003","90","","92.761","0.004","90","","12406","4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H117 As2 Cu5.5 N21 O84 Pr W22 -","- C31.5 H105 As2 Cu5.5 N21 O84 Pr W22 -","- C126 H420 As8 Cu22 N84 O336 Pr4 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0987","0.0542","","","0.0936","0.1025","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207757","16.955","0.004","37.229","0.008","19.506","0.004","90","","92.767","0.005","90","","12298","5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H117 As2 Cu5.5 Eu N21 O84 W22 -","- C31.5 H105 As2 Cu5.5 Eu N21 O84 W22 -","- C126 H420 As8 Cu22 Eu4 N84 O336 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1094","0.0534","","","0.1082","0.1212","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207758","13.4927","0.0008","20.0061","0.0012","24.5797","0.0014","102.318","0.001","104.73","0.001","98.677","0.001","6119.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H122 As2 Cu5.5 N22 O84 Tb W22 -","- C33 H110 As2 Cu5.5 N22 O84 Tb W22 -","- C66 H220 As4 Cu11 N44 O168 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0874","0.067","","","0.1629","0.1735","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207759","30.63","0.011","5.8524","0.0019","22.101","0.008","90","","117.912","0.006","90","","3501","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N3 O6 -","- C14 H25 N3 O6 -","- C112 H200 N24 O48 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.12","0.0631","","","0.1551","0.1874","","","","","","1.003","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207760","14.2705","0.0009","13.3006","0.0008","21.2009","0.0017","90","","108.655","0.003","90","","3812.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.0838","0.0542","","","0.1514","0.187","","","","","","0.955","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207761","5.3951","0.0004","8.1557","0.0007","11.4412","0.0009","80.447","0.002","84.791","0.002","72.016","0.002","471.77","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N3 O2 -","- C8 H10 Cl N3 O2 -","- C16 H20 Cl2 N6 O4 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0268","0.0258","","","0.0679","0.0687","","","","","","1.068","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207762","10.3283","0.0008","8.1976","0.0007","12.329","0.0009","90","","114.243","0.003","90","","951.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0182","0.0168","","","0.0416","0.042","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207763","11.5624","0.0004","8.3426","0.0004","12.2163","0.0005","90","","116.412","0.002","90","","1055.39","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 B F4 N3 O2 -","- C8 H10 B F4 N3 O2 -","- C32 H40 B4 F16 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0332","0.0309","","","0.0783","0.0805","","","","","","1.075","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207764","5.452","0.0003","6.1264","0.0003","15.5624","0.0008","99.478","0.003","92.657","0.003","99.407","0.003","504.38","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C16 H20 N8 O10 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0382","0.0338","","","0.1044","0.1196","","","","","","1.93","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207765","8.4003","0.0002","8.9153","0.0002","10.3151","0.0003","101.57","0.001","103.452","0.001","111.64","0.001","662.4","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C18 H20 F6 N6 O10 S2 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0358","0.0336","","","0.0832","0.0847","","","","","","1.171","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207766","13.247","0.001","11.2054","0.001","15.5055","0.0014","90","","90","","90","","2301.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C64 H80 F48 N24 O16 P8 -","8","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0383","0.029","","","0.0714","0.0775","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207767","9.7596","0.0003","15.686","0.0005","16.853","0.0005","90","","90","","90","","2580.01","0.14","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C128 H120 B4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0425","0.0343","","","0.0862","0.1102","","","","","","1.153","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207768","12.458","0.004","14.423","0.004","33.063","0.011","80.384","0.009","83.877","0.011","79.272","0.009","5737","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H178 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1194","0.087","","","0.2144","0.2466","","","","","","1.041","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207769","8.608","0.002","19.26","0.005","31.701","0.008","103.706","0.003","92.298","0.003","95.323","0.004","5074","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H132 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.107","0.0673","","","0.1407","0.1677","","","","","","1.086","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207770","15.839","0.007","7.526","0.003","23.941","0.01","90","","104.584","0.007","90","","2762","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co N4 O11 S2 -","- C24 H24 Co N4 O11 S2 -","- C96 H96 Co4 N16 O44 S8 -","4","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.0822","0.0721","","","0.1256","0.1312","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207771","8.119","0.003","15.259","0.005","15.648","0.005","64.632","0.007","84.144","0.012","80.083","0.011","1724.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 Co N5 O8 S3 -","- C34 H23 Co N5 O8 S3 -","- C68 H46 Co2 N10 O16 S6 -","2","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1001","0.0747","","","0.1767","0.1963","","","","","","1.058","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207772","12.3807","0.0011","14.6888","0.0012","21.2276","0.0018","72.558","0.002","77.155","0.001","67.911","0.001","3386.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0618","0.0429","","","0.0972","0.1062","","","","","","1.012","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207773","12.4306","0.0009","14.7656","0.0011","21.276","0.0016","72.562","0.001","77.799","0.001","67.659","0.001","3424.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0337","0.0279","","","0.0646","0.0673","","","","","","1.017","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207774","12.235","0.0019","14.546","0.002","19.853","0.003","109.711","0.002","91.443","0.002","112.699","0.002","3019.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.137","0.0612","","","0.1216","0.1491","","","","","","1.002","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207775","10.3672","0.0016","21.911","0.003","17.808","0.003","90","","97.316","0.002","90","","4012.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 N12 Ni O16 -","- C27 H42 N12 Ni O16 -","- C108 H168 N48 Ni4 O64 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0758","0.0563","","","0.1752","0.1944","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207776","10.3859","0.0002","21.9719","0.0003","19.4185","0.0003","90","","114.589","0.001","90","","4029.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H52 N12 Ni O17 -","- C27 H42 N12 Ni O12 -","- C108 H168 N48 Ni4 O48 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0498","0.0378","","","0.1004","0.1056","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207777","10.406","0.009","23.14","0.02","16.882","0.015","90","","94.791","0.013","90","","4051","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H46 N12 Ni O14 -","- C27 H42 N12 Ni O14 -","- C108 H168 N48 Ni4 O56 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1676","0.1219","","","0.3225","0.355","","","","","","1.166","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207778","39.969","0.0009","10.254","0.0002","20.2422","0.0005","90","","113.171","0.001","90","","7626.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 N12 Ni O15 -","- C28 H44 N12 Ni O12 -","- C224 H352 N96 Ni8 O96 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0603","0.0452","","","0.1075","0.1135","","","","","","0.991","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207779","10.4506","0.0002","23.1249","0.0005","19.9968","0.0003","90","","120.985","0.001","90","","4143.01","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 Cl N12 Ni O20 -","- C28 H53 Cl N12 Ni O20 -","- C112 H212 Cl4 N48 Ni4 O80 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0597","0.0486","","","0.1259","0.1325","","","","","","1.067","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207780","16.958","0.003","24.82","0.015","10.321","0.002","90","","92.33","0.03","90","","4340","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 N12 Ni O14 S -","- C30 H43 N12 Ni O14 S -","- C120 H172 N48 Ni4 O56 S4 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.146","0.0718","","","0.1546","0.1884","","","","","","1.121","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207781","16.9154","0.0019","24.92","0.003","10.3143","0.0011","90","","92.829","0.002","90","","4342.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N13 Ni O13 -","- C31 H49 N13 Ni O13 -","- C124 H196 N52 Ni4 O52 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0948","0.0766","","","0.199","0.2103","","","","","","1.081","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207782","39.696","0.007","10.2615","0.0018","19.738","0.003","90","","112.413","0.002","90","","7433","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 Cu N12 O13.5 -","- C28 H44 Cu N12 O13.5 -","- C224 H352 Cu8 N96 O108 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1168","0.0654","","","0.1755","0.2043","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207783","17.0877","0.0019","9.2378","0.001","14.0442","0.0015","90","","111.136","0.001","90","","2067.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 Cu N6 O8 -","- C13 H28 Cl2 Cu N6 O8 -","- C52 H112 Cl8 Cu4 N24 O32 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0342","0.0282","","","0.0712","0.0742","","","","","","1.03","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207784","21.186","0.005","21.293","0.005","17.947","0.004","90","","96.459","0.018","90","","8045","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C200 H160 Cu24 I8 Mo8 N40 O8 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.1096","0.0818","","","0.2246","0.2739","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207785","21.25","0.001","21.2819","0.0008","18.1026","0.0007","90","","96.336","0.004","90","","8136.7","0.6","291","2","291","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 Cu6 I2 Mo2 N14 O6 S6 -","- C62 H61 Cu6 I2 Mo2 N14 O6 S6 -","- C248 H244 Cu24 I8 Mo8 N56 O24 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.075","0.0511","","","0.1197","0.1324","","","","","","1.048","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207786","40.592","0.008","9.7008","0.0019","24.75","0.005","90","","104.95","0.03","90","","9416","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C208 H160 Cu24 Mo8 N48 O8 S32 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.0946","0.0606","","","0.1363","0.1505","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207787","21.263","0.002","21.287","0.0018","18.0287","0.0017","90","","96.213","0.01","90","","8112.3","1.3","291.15","","291.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C260 H272 Br8 Cu24 Mo8 N60 O28 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.7107","MoKα","","0.0895","0.0502","","","0.1197","0.1412","","","","","","1.004","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207788","12.8267","0.0003","28.9972","0.0008","9.5316","0.0003","90","","92.186","0.002","90","","3542.59","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Mn N O7 -","- C17 H17 Mn N O7 -","- C136 H136 Mn8 N8 O56 -","8","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0491","0.0366","","","0.0995","0.1042","","","","","","0.993","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207789","11.6576","0.0003","7.9742","0.0001","15.6452","0.0003","90","","102.303","0.002","90","","1420.98","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cd O8 -","- C14 H10 Cd O8 -","- C56 H40 Cd4 O32 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0319","0.0277","","","0.0788","0.0798","","","","","","1.139","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207790","11.9066","0.0002","20.4425","0.0004","7.4631","0.0001","90","","98.596","0.002","90","","1796.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O7 Pb -","- C17 H17 N O7 Pb -","- C68 H68 N4 O28 Pb4 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0323","0.0215","","","0.0388","0.0397","","","","","","0.929","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207791","25.8352","0.0009","11.4382","0.0003","7.3069","0.0003","90","","98.104","0.004","90","","2137.69","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N2 O6 -","- C26 H18 Cd N2 O6 -","- C104 H72 Cd4 N8 O24 -","4","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0243","0.021","","","0.0487","0.0493","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207792","11.7493","0.0011","12.9213","0.0013","14.2679","0.0017","107.94","0.01","97.377","0.009","97.394","0.008","2011","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0988","0.0674","","","0.2079","0.2678","","","","","","1.085","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207793","9.1908","0.0005","11.6347","0.0006","12.4736","0.0007","100.591","0.004","111.361","0.003","101.38","0.004","1169.06","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N7 O6 S -","- C22 H21 N7 O6 S -","- C44 H42 N14 O12 S2 -","2","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.167","0.0513","","","0.1182","0.1406","","","","","","0.842","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207794","8.335","0.0007","12.3287","0.001","25.638","0.003","90","","100.345","0.007","90","","2591.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N9 O6 S -","- C24 H27 N9 O6 S -","- C96 H108 N36 O24 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.1709","0.0498","","","0.0831","0.0976","","","","","","0.906","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207795","12.6988","0.0014","15.425","0.0018","14.7893","0.0018","90","","118.108","0.008","90","","2555.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N6 O5 S -","- C24 H28 N6 O5 S -","- C96 H112 N24 O20 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.2544","0.0525","","","0.1145","0.158","","","","","","0.859","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207796","12.0553","0.0003","13.5377","0.0003","13.851","0.0004","89.426","0.002","77.013","0.001","67.008","0.001","2020.06","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 Ag2 F6 N13 O7 S2 -","- C29 H39 Ag2 F6 N13 O7 S2 -","- C58 H78 Ag4 F12 N26 O14 S4 -","2","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0687","0.0443","","","0.1057","0.1183","","","","","","1.04","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207797","11.263","0.0004","12.8443","0.0003","13.4111","0.0004","95.896","0.002","98.347","0.002","107.469","0.002","1808.9","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0665","0.0371","","","0.0744","0.0842","","","","","","1.029","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207798","12.6179","0.0004","13.4765","0.0003","20.5256","0.0009","90","","107.897","0.003","90","","3321.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Ag2 Cl2 N12 O7 -","- C25 H36 Ag2 Cl2 N12 O7 -","- C100 H144 Ag8 Cl8 N48 O28 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0498","0.0287","","","0.0525","0.0576","","","","","","1.035","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207799","12.3742","0.0002","13.884","0.0002","14.1976","0.0002","110.879","0.001","101.366","0.001","102.307","0.001","2124.72","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0346","0.0259","","","0.0571","0.0602","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207800","20.1692","0.0007","6.8605","0.0002","28.4044","0.0008","90","","110.456","0.002","90","","3682.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag F3 N6 O3 S -","- C14 H18 Ag F3 N6 O3 S -","- C112 H144 Ag8 F24 N48 O24 S8 -","8","2","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.072","0.0394","","","0.0767","0.0876","","","","","","1.065","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207801","7.0111","0.0004","10.3913","0.0003","17.7538","0.0011","90","","94.186","0.006","90","","1289.99","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0364","0.0283","","","0.0521","0.0537","","","","","","0.927","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207802","36.189","0.005","7.5131","0.0005","10.3712","0.0016","90","","102.949","0.013","90","","2748.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0439","0.0321","","","0.0837","0.0874","","","","","","1.075","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207803","7.823","0.003","9.608","0.005","12.6865","0.0015","102.052","0.007","90.957","0.017","113.86","0.02","847.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C34 H40 N4 O12 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.1358","0.0396","","","0.0506","0.0594","","","","","","0.772","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207804","20.003","0.004","13.847","0.003","12.636","0.002","90","","113.54","0.01","90","","3208.7","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N2 O5.5 -","- C16 H19 N2 O5.5 -","- C128 H152 N16 O44 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0823","0.0533","","","0.1216","0.1391","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207805","6.047","0.002","6.272","0.003","26.102","0.008","89.21","0.04","85.91","0.03","66.67","0.04","906.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O4 -","- C18 H15 N2 O4 -","- C36 H30 N4 O8 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1783","0.1911","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207806","14.4121","0.0009","14.7205","0.0009","14.7927","0.001","110.087","0.002","104.02","0.002","108.739","0.001","2562.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.115","0.0752","","","0.1978","0.2431","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207807","14.424","0.0012","14.463","0.0011","14.633","0.002","111.254","0.002","104.137","0.002","107.699","0.001","2485","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0532","0.039","","","0.0956","0.1044","","","","","","1.044","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207808","14.4573","0.0013","14.569","0.0013","14.707","0.002","111.567","0.002","102.88","0.002","107.54","0.001","2545","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0576","0.0394","","","0.099","0.1114","","","","","","1.02","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207809","22.334","0.005","20.772","0.005","20.407","0.005","90","0.005","90","0.005","90","0.005","9467","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H20 Ag10 N25 O68 P2 W18 -","- C30 H20 Ag10 N25 O68 P2 W18 -","- C120 H80 Ag40 N100 O272 P8 W72 -","4","0.5","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0377","0.0338","","","0.0644","0.0657","","","","","","1.049","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207810","12.068","0.005","13.909","0.005","22.742","0.005","95.902","0.005","104.964","0.005","103.97","0.005","3523","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag7 N25 O41 Si W12 -","- C30 H20 Ag7 N25 O41 Si W12 -","- C60 H40 Ag14 N50 O82 Si2 W24 -","2","1","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0879","0.0657","","","0.1427","0.1572","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207811","5.4378","0.0011","7.0974","0.0014","12.031","0.002","90.52","0.03","95.2","0.03","102.28","0.03","451.64","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0368","0.0275","","","0.0757","0.0862","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207812","5.6965","0.0011","7.1619","0.0014","11.935","0.002","93.51","0.03","92.42","0.03","105.53","0.03","467.39","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0564","0.0539","","","0.1518","0.1537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207813","7.7849","0.0016","9.839","0.002","12.367","0.003","76.16","0.03","84","0.03","71.71","0.03","872.8","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.032","0.0264","","","0.0711","0.0807","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207814","7.6682","0.0017","10.7302","0.0019","11.371","0.002","89.097","0.005","72.836","0.006","89.849","0.006","893.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C34 H36 N4 O14 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1229","0.0699","","","0.1744","0.2249","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207815","7.1106","0.0014","18.31","0.004","12.36","0.003","90","","100.11","0.03","90","","1584.2","0.6","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 N4 O13 S Zn -","- C27 H36 N4 O13 S Zn -","- C54 H72 N8 O26 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1156","0.0534","","","0.1212","0.19","","","","","","1.048","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207816","18.49","0.004","12.4","0.003","25","0.005","90","","107.99","0.03","90","","5452","2","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H52 Cd2 N8 O16 S2 -","- C54 H52 Cd2 N8 O16 S2 -","- C216 H208 Cd8 N32 O64 S8 -","4","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0466","0.041","","","0.0971","0.1016","","","","","","1.023","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207817","23.7711","0.0016","18.2299","0.0012","10.4033","0.0007","90","","91.183","0.002","90","","4507.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cd2 N4 O12 -","- C48 H40 Cd2 N4 O12 -","- C192 H160 Cd8 N16 O48 -","4","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.038","0.0301","","","0.0885","0.0937","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207818","27.312","0.0005","27.312","0.0005","34.5543","0.0015","90","","90","","90","","25775.6","1.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C125 H134 N10 Ni5 O32 -","- C125 H134 N10 Ni5 O32 -","- C1000 H1072 N80 Ni40 O256 -","8","0.5","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.1049","0.0489","","","0.0957","0.1197","","","","","","0.928","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207819","23.3334","0.0007","10.3868","0.0003","17.3827","0.0006","90","","109.477","0.002","90","","3971.8","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N12 O2 S2 -","- C40 H34 Co N12 O2 S2 -","- C160 H136 Co4 N48 O8 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.1092","0.0697","","0.1443","0.0669","0.056","","","","","","1.0536","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207820","28.199","0.006","10.371","0.002","32.295","0.007","90","","103.51","0.03","90","","9183","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.33 H38.67 Cl1.33 Co N8 O2 S2 -","- C50.34 H36.68 Cl1.34 Co N8 O1.99 S2 -","- C402.72 H293.44 Cl10.72 Co8 N64 O15.92 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0487","0.0463","","","0.1244","0.1264","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207821","14.3014","0.0008","14.3112","0.0007","26.2091","0.0012","90","","90","","90","","5364.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Co N6 O2 S2 -","- C27 H28 Co N6 O2 S2 -","- C216 H224 Co8 N48 O16 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0425","0.0415","","","0.0928","0.0933","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207822","24.608","0.002","10.6168","0.001","17.7748","0.0016","90","","116.118","0.006","90","","4169.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H70 Co2 N16 O5 S4 -","- C88 H60 Co2 N16 O5 S4 -","- C176 H120 Co4 N32 O10 S8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0597","0.0581","","","0.1598","0.1612","","","","","","1.119","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207823","7.0576","0.0008","21.727","0.003","12.0929","0.0012","90","","103.978","0.008","90","","1799.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N5 -","- C19 H14 Cl3 N5 -","- C76 H56 Cl12 N20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0437","0.0368","","","0.0894","0.0931","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207824","19.386","0.002","18.7538","0.0017","7.9689","0.0013","90","","99.188","0.013","90","","2860","0.6","","","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","(salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","","- C29 H28 N6 Ni O3 S2 -","- C29 H28 N6 Ni O3 S2 -","- C116 H112 N24 Ni4 O12 S8 -","4","1","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","","","0.71073","MoKα","","0.1694","0.0914","","","0.1682","0.1926","","","","","","1.085","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207825","11.8765","0.00054","22.5378","0.0012","10.78016","0.00051","90","","116.174","0.0029","90","","2589.6","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N6 Ni O2 S2 -","- C28 H24 N6 Ni O2 S2 -","- C112 H96 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0162","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207826","19.7898","0.001","8.36585","0.00034","11.79716","0.00041","90","","90","","90","","1953.12","0.14","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H20 N6 Ni O2 S2 -","- C18 H20 N6 Ni O2 S2 -","- C72 H80 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0186","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207827","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Kumar, Jitendra; Kanoo, Prakash; Maji, Tapas Kumar; Verma, Sandeep","Water adsorbing silver‒adenine interpenetrated framework","CrystEngComm","2012","14","9","3012","","10.1039/c2ce06625d","","","0.71073","MoKα","","0.084","0.066","","","0.15","0.1606","","","","","","1.083","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207828","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Chen, Shui-Sheng; Zhao, Yue; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Chen, Zhi-Hao; Sun, Wei-Yin","Construction of coordination frameworks based on 4-imidazolyl tecton 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylic acids","CrystEngComm","2012","14","10","3564","","10.1039/c2ce06632g","","","0.71073","MoKα","","0.109","0.0713","","","0.1562","0.1805","","","","","","1.075","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207829","8.5302","0.0003","6.8167","0.0003","9.3304","0.0004","90","","89.865","0.002","90","","542.54","0.04","509","","509","","","","","","","","commercial","4","C 1 2/c 1","-C 2yc","15","Barbituric acid","2,4,6(1H,3H,5H)-pyrimidinetrione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Többens, Daniel M.; Glinneman, Jürgen; Chierotti, Michele R.; van de Streek, Jacco; Sheptyakov, Denis","On the high-temperature phase of barbituric acid","CrystEngComm","2012","14","9","3046","","10.1039/c2ce06636j","","","","","","","","","","","","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207830","5.0901","0.0003","13.9239","0.0006","16.8234","0.0008","90","","90","","90","","1192.34","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","l-argininium perrhenate","l-argininium perrhenate","","- C6 H15 N4 O6 Re -","- C6 H15 N4 O6 Re -","- C24 H60 N16 O24 Re4 -","4","1","","Isakov, Dmitry; de Matos Gomes, Etelvina; Belsley, Michael Scott; Rodrigues, Vitor Hugo; Ramalho Costa, Maria Margarida","Synthesis, structure and non-linear optical properties of l-argininium perrhenate crystal","CrystEngComm","2012","14","10","3767","","10.1039/c2ce06652a","","","0.71073","MoKα","","0.0612","0.0505","","","0.1291","0.137","","","","","","1.053","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207831","7.313","0.0015","11.236","0.002","8.2171","0.0016","90","","97.26","0.03","90","","669.8","0.2","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Zhang, Wenlin; Sun, Jianfeng; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong","Crystal growth and optical properties of a noncentrosymmetric molybdenum tellurite, Na2Te3Mo3O16","CrystEngComm","2012","14","10","3490","","10.1039/c2ce06658k","","","0.71073","MoKα","","0.0307","0.0292","","","0.0641","0.0646","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207832","7.1438","0.0002","10.8234","0.0002","15.2054","0.0003","90","","99.562","0.001","90","","1159.35","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","","Kim, Pil-Joo; Jazbinsek, Mojca; Jeong, Jae-Hyeok; Kim, Jong-Taek; Lee, Yoon Sup; Jung, Yeong-Min; Lee, Soon W.; Kwon, O-Pil","New acentric quinolinium crystal with high order parameter for nonlinear optical and electro-optic applications","CrystEngComm","2012","14","10","3633","","10.1039/c2ce06667j","","","0.71073","MoKα","","0.0544","0.0394","","","0.0851","0.0918","","","","","","1.042","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207833","11.3822","0.0002","11.1231","0.0002","15.3382","0.0002","90","","105.212","0.001","90","","1873.86","0.05","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O7 P S -","- C18 H15 Cu N2 O7 P S -","- C72 H60 Cu4 N8 O28 P4 S4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0384","0.0296","","","0.0801","0.0849","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207834","10.2042","0.0003","6.9866","0.0002","24.8482","0.0006","90","","90.929","0.001","90","","1771.26","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N2 O6 P -","- C19 H15 Cu N2 O6 P -","- C76 H60 Cu4 N8 O24 P4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0498","0.0326","","","0.0938","0.115","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207835","10.1238","0.0008","10.4815","0.0009","13.143","0.0011","69.569","0.001","75.034","0.001","63.557","0.001","1161.36","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","3","","","- C21 H19 Cu N2 O9.5 P3 -","- C21 H18 Cu N2 O9.5 P3 -","- C42 H36 Cu2 N4 O19 P6 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0385","0.0342","","","0.0955","0.0988","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207836","9.143","0.003","9.4","0.003","11.457","0.004","101.379","0.007","91.586","0.007","114.862","0.006","869","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu N2 O6 P2 -","- C16 H14 Cu N2 O6 P2 -","- C32 H28 Cu2 N4 O12 P4 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0261","0.0232","","","0.063","0.0652","","","","","","1.056","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207837","26.9341","0.0008","8.4997","0.0002","26.9792","0.0008","90","","117.043","0.001","90","","5501.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cu N4 O6 P2 -","- C30 H23 Cu N4 O6 P2 -","- C240 H184 Cu8 N32 O48 P16 -","8","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.059","0.0386","","","0.1","0.111","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207838","8.2313","0.001","10.2454","0.0012","11.5573","0.0014","74.28","0.001","74.22","0.001","70.04","0.001","864.33","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Ag I3 N2 -","- C12 H14 Ag I3 N2 -","- C24 H28 Ag2 I6 N4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0225","0.02","","","0.0468","0.0481","","","","","","1.043","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207839","12.653","0.003","13.229","0.003","26.039","0.005","90","","90","","90","","4358.6","1.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Ag I3 N2 -","- C18 H18 Ag I3 N2 -","- C144 H144 Ag8 I24 N16 -","8","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0521","0.0311","","","0.0553","0.0596","","","","","","1.106","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207840","7.3392","0.0007","8.5029","0.0009","9.2575","0.0009","92.439","0.002","91.191","0.002","108.102","0.002","548.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","1","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0821","0.0777","","","0.1813","0.1861","","","","","","1.088","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207841","10.502","0.008","14.784","0.011","13.335","0.009","90","","110.039","0.014","90","","1945","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag2 Br4 N2 -","- C14 H18 Ag2 Br4 N2 -","- C56 H72 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.104","0.0674","","","0.1364","0.1489","","","","","","1.091","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207842","11.1087","0.0006","16.3854","0.0008","13.9793","0.0009","90","","109.386","0.007","90","","2400.3","0.3","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 I4 N2 -","- C16 H22 Ag2 I4 N2 -","- C64 H88 Ag8 I16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0893","0.0587","","","0.1201","0.1356","","","","","","1.035","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207843","14.0772","0.0011","21.7338","0.0018","31.559","0.003","90","","90","","90","","9655.5","1.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C17 H24 Ag2 I4 N2 -","- C17 H24 Ag2 I4 N2 -","- C272 H384 Ag32 I64 N32 -","16","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.053","0.0275","","","0.0661","0.0844","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207844","9.1768","0.0012","16.292","0.002","6.9455","0.0009","90","","99.883","0.002","90","","1023","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 Ag Br2 N -","- C7 H9 Ag Br2 N -","- C28 H36 Ag4 Br8 N4 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0363","0.027","","","0.0606","0.0642","","","","","","1.069","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207845","8.6941","0.0007","14.4401","0.0012","16.6058","0.0014","90","","92.109","0.001","90","","2083.3","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag2 Br4 N2 -","- C15 H20 Ag2 Br4 N2 -","- C60 H80 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0302","0.0216","","","0.0462","0.0488","","","","","","1.026","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207846","8.1005","0.001","11.1349","0.0013","11.5011","0.0013","107.703","0.002","96.284","0.002","90.253","0.002","981.5","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ag Br N4 S2 -","- C18 H16 Ag Br N4 S2 -","- C36 H32 Ag2 Br2 N8 S4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0687","0.0451","","","0.1101","0.1211","","","","","","1.082","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207847","8.6394","0.0006","9.1974","0.0006","13.6575","0.001","90","","98.458","0.006","90","","1073.42","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ag2 Br2 I0 N6 O0 S2 -","- C14 H20 Ag2 Br2 N6 S2 -","- C28 H40 Ag4 Br4 N12 S4 -","2","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0797","0.0694","","","0.1681","0.1764","","","","","","1.068","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207848","18.071","0.002","7.2152","0.0008","8.8573","0.0014","90","","108.136","0.015","90","","1097.5","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H10 Ag Br2 N2 -","- C6 H3 Ag Br2 N2 -","- C24 H12 Ag4 Br8 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0542","0.0463","","","0.1385","0.1451","","","","","","1.094","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207849","18.2976","0.0014","18.9067","0.0006","13.4284","0.0009","90","","132.716","0.013","90","","3413.2","0.8","291","2","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H30 Ag4 I6 N2 -","- C20 H30 Ag4 I6 N2 -","- C80 H120 Ag16 I24 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0615","0.0427","","","0.1359","0.153","","","","","","1.001","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207850","9.708","0.0004","14.111","0.0009","16.579","0.001","72.751","0.002","87.723","0.004","71.095","0.003","2048","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.6 H61.5 Cu2 N2 O10.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","1","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1103","0.0751","","","0.1955","0.2095","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207851","23.32","0.003","9.5701","0.0014","26.478","0.004","90","","103.799","0.002","90","","5738.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H29 Cu N O4.5 -","- C29 H25 Cu N O4 -","- C232 H200 Cu8 N8 O32 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7848","Synchrotron","","0.1143","0.0768","","","0.214","0.234","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207852","23.043","0.01","9.582","0.004","26.852","0.011","90","","104.624","0.007","90","","5737","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H62 N4 O10 Zn2 -","- C64 H62 N4 O10 Zn2 -","- C256 H248 N16 O40 Zn8 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.0804","0.0423","","","0.0781","0.0866","","","","","","1.032","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207853","18.775","0.001","18.775","0.001","19.672","0.003","90","","90","","90","","6934.4","1.2","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H10 Cu I2 N O4 -","- C16 H10 Cu I2 N O4 -","- C256 H160 Cu16 I32 N16 O64 -","16","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1125","0.0668","","","0.175","0.189","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207854","12.797","0.0005","12.797","0.0005","39.098","0.0018","90","","90","","90","","6402.8","0.5","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H38 Cu2 I4 N3 O10 -","- C32 H19 Cu2 I4 N3 O8 -","- C128 H76 Cu8 I16 N12 O32 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1056","0.0786","","","0.2418","0.2617","","","","","","1.078","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207855","12.4072","0.0008","12.4082","0.0007","33.608","0.002","87.891","0.002","88.473","0.002","83.785","0.002","5138.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C175 H203 I16 N21 O45 Zn8 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.1137","0.0764","","","0.1937","0.221","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207856","15.603","0.0002","11.126","0.0001","29.859","0.0003","90","","90.711","0.001","90","","5183.09","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Cu N2 O8 -","- C64 H58 Cu N2 O8 -","- C256 H232 Cu4 N8 O32 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0532","0.0391","","","0.0837","0.0906","","","","","","1.04","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207857","25.733","0.0006","13.582","0.0003","17.299","0.0004","90","","106.939","0.001","90","","5783.8","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H52 N4 O8 Zn2 -","- C72 H52 N4 O8 Zn2 -","- C288 H208 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1073","0.0561","","","0.1289","0.1506","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207858","26.786","0.0007","24.706","0.0007","7.437","0.0002","90","","104.858","0.002","90","","4757.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 I2 N2 O4 Zn -","- C24 H16 I2 N2 O4 Zn -","- C192 H128 I16 N16 O32 Zn8 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0965","0.0591","","","0.159","0.1728","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207859","14.749","0.002","14.749","0.002","22.313","0.005","90","","90","","90","","4853.8","1.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H27 N6 O27.5 Zn4 -","- C156 H108 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1169","0.0785","","","0.1411","0.1572","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207860","14.672","0.002","14.672","0.002","22.225","0.004","90","","90","","90","","4784.3","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H38 N6 O27.5 Zn4 -","- C156 H152 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1264","0.0756","","","0.1662","0.1876","","","","","","1.268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207861","10.1534","0.0013","10.1725","0.0013","11.357","0.0014","114.956","0.001","90.045","0.002","118.918","0.001","899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cd N3 O7 -","- C15 H19 Cd N3 O7 -","- C30 H38 Cd2 N6 O14 -","2","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0344","0.0324","","","0.0831","0.0843","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207862","10.262","0.004","17.1","0.007","10.488","0.005","90","","119.16","0.005","90","","1607.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cd2 N4 O17 -","- C24 H24 Cd2 N4 O17 -","- C48 H48 Cd4 N8 O34 -","2","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0423","0.0399","","","0.1086","0.1108","","","","","","1.119","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207863","9.1431","0.0007","10.1077","0.0008","15.6537","0.0018","95.19","0.001","91.944","0.001","116.712","0.001","1282.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","1","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0533","0.0351","","","0.0578","0.0614","","","","","","0.893","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207864","6.3889","0.0004","11.0946","0.0007","16.6876","0.001","90","","95.688","0.001","90","","1177.03","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0391","0.0286","","","0.0641","0.0665","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207865","10.1525","0.001","13.559","0.0014","17.9533","0.0019","90","","90","","90","","2471.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C96 H80 N16 O40 Zn8 -","8","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0404","0.0333","","","0.0881","0.091","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207866","25.264","0.009","7.313","0.003","16.584","0.006","90","","122.616","0.004","90","","2580.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H40 Ge2 N8 S6 -","- C12 H40 Ge2 N8 S6 -","- C48 H160 Ge8 N32 S24 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0438","0.038","","","0.0943","0.1035","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207867","11.567","0.005","14.633","0.006","14.465","0.006","90","","96.434","0.004","90","","2432.9","1.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Eu Ge N9 S3 -","- C12 H39 Cl Eu Ge N9 S3 -","- C48 H156 Cl4 Eu4 Ge4 N36 S12 -","4","1","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0302","0.0278","","","0.0677","0.0694","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207868","19.638","0.004","14.415","0.003","16.91","0.003","90","","122.47","0.03","90","","4038.6","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H61.5 N12.5 O3 S6 Sn2 Y2 -","- C16 H46 Ge2 N10 O2 S6 Y2 -","- C64 H184 Ge8 N40 O8 S24 Y8 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.1715","0.0726","","","0.1746","0.1976","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207869","31.3656","0.0007","14.1509","0.0006","12.4299","0.0005","90","","99.607","0.003","90","","5439.7","0.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H104 N26 Nd2 O78 S8 U4 -","- C44 H88 N26 Nd2 O78 S8 U4 -","- C88 H176 N52 Nd4 O156 S16 U8 -","2","0.25","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0582","0.0379","","","0.0966","0.1035","","","","","","0.988","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207870","31.1056","0.0012","14.174","0.0003","20.8484","0.0008","90","","93.8479","0.0017","90","","9171.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Dy1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Dy1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Dy6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0589","0.0399","","","0.1033","0.1098","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207871","31.0881","0.0009","14.1832","0.0003","20.8347","0.0005","90","","93.8691","0.0015","90","","9165.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Er1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Er1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Er6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0559","0.0373","","","0.0906","0.097","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207872","31.1082","0.0012","14.1633","0.0004","20.7953","0.0008","90","","93.892","0.002","90","","9141.2","0.6","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 N26.5 O66.5 S6 U4 Yb1.5 -","- C42 H74 N26.5 O66.5 S6 U4 Yb1.5 -","- C168 H296 N106 O266 S24 U16 Yb6 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0688","0.0428","","","0.1038","0.1119","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207873","11.501","0.002","14.424","0.003","28.959","0.006","90","","90","","90","","4804","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0536","0.0336","","","0.0376","0.0389","","","","","","0.953","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207874","11.4952","0.0005","14.4352","0.0005","28.9218","0.0014","90","","90","","90","","4799.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0312","0.0284","","","0.0505","0.0515","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207875","38.6025","0.0014","5.7352","0.0002","6.3225","0.0003","90","","94.318","0.002","90","","1395.78","0.1","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 Cu O10 -","- C28 H34 Cu O10 -","- C56 H68 Cu2 O20 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0548","0.0498","","","0.131","0.1352","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207876","29.5909","0.0005","7.4519","0.0002","6.2317","0.0001","90","","90.979","0.002","90","","1373.94","0.05","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 O9 Zn -","- C28 H32 O9 Zn -","- C56 H64 O18 Zn2 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0449","0.0366","","","0.0866","0.1075","","","","","","1.037","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207877","47.055","0.004","6.1619","0.0005","8.4473","0.0007","90","","100.263","0.003","90","","2410.1","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Cd O7 -","- C28 H28 Cd O7 -","- C112 H112 Cd4 O28 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0253","0.0241","","","0.0593","0.0602","","","","","","1.033","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207878","8.909","0.005","8.91","0.005","20.68","0.005","90.753","0.005","99.662","0.005","99.077","0.005","1596.7","1.3","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H42 Ni O14 -","- C28 H42 Ni O14 -","- C56 H84 Ni2 O28 -","2","2","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71069","MoKα","","0.1249","0.0812","","","0.2019","0.2288","","","","","","1.256","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207879","28.998","0.012","5.76","0.002","8.162","0.003","90","","92.364","0.005","90","","1362.1","0.9","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 Cd O9 -","- C28 H32 Cd O9 -","- C56 H64 Cd2 O18 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0518","0.0436","","","0.0984","0.1064","","","","","","1.006","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207880","15.6189","0.0009","11.2218","0.0007","9.7123","0.0006","90","","90","","90","","1702.3","0.18","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Ag2 Cl2 N8 O8 -","- C10 H6 Ag2 Cl2 N8 O8 -","- C40 H24 Ag8 Cl8 N32 O32 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0429","0.04","","","0.106","0.109","","","1.122","","","1.082","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207881","10.484","0.002","16.466","0.003","18.343","0.004","90","","90","","90","","3166.5","1.1","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.1061","0.0603","","","0.1457","0.176","","","1.008","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207882","7.5876","0.0003","11.6328","0.0006","13.6088","0.0007","99.735","0.002","99.024","0.002","94.537","0.002","1162.33","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 Ag2 N15 -","- C20 H11 Ag2 N15 -","- C40 H22 Ag4 N30 -","2","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0247","0.0216","","","0.0529","0.0578","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207883","6.9167","0.0005","8.5461","0.0005","16.9167","0.0012","90","","95.348","0.002","90","","995.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Ag N7 -","- C9 H3 Ag N7 -","- C36 H12 Ag4 N28 -","4","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0369","0.0318","","","0.1076","0.1168","","","0.941","","","0.941","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207884","8.3748","0.0003","13.6582","0.0005","19.0224","0.0007","74.578","0.002","78.091","0.002","77","0.002","2018.74","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N7 O3 -","- C12 H8 Ag N7 O3 -","- C72 H48 Ag6 N42 O18 -","6","3","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.069","0.0589","","","0.1073","0.1113","","","","","","1.251","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207885","18.1292","0.0006","7.8219","0.0002","11.7806","0.0004","90","","121.711","0.001","90","","1421.15","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N8 O6 -","- C12 H10 N8 O6 -","- C48 H40 N32 O24 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0387","0.0356","","","0.0882","0.0912","","","","","","1.094","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207886","16.566","0.015","8.573","0.008","18.719","0.017","90","","101.7","0.02","90","","2603","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O12 P2 Zn3 -","- C18 H20 N4 O12 P2 Zn3 -","- C72 H80 N16 O48 P8 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.1138","0.088","","","0.2038","0.2228","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207887","8.9939","0.0002","10.8591","0.0005","14.3633","0.0003","88.893","0.006","74.348","0.005","84.146","0.005","1343.69","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 N4 O13 P2 Pb3 -","- C18 H26 N4 O13 P2 Pb3 -","- C36 H52 N8 O26 P4 Pb6 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.0331","0.0268","","","0.0484","0.0507","","","","","","1.054","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207941","7.778","0.004","13.275","0.007","16.678","0.008","81.622","0.01","86.283","0.012","88.301","0.014","1699.7","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu3 N5 O12 -","- C32 H23 Cu3 N5 O12 -","- C64 H46 Cu6 N10 O24 -","2","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0495","0.0412","","","0.1127","0.1206","","","","","","1.046","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207942","23.039","0.002","8.756","0.0006","21.7481","0.0019","90","","109.477","0.005","90","","4136.2","0.6","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C114 H90 Cu8 N18 O54 -","4","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0785","0.0678","","","0.1918","0.2056","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207943","9.35","0.002","9.826","0.002","26.846","0.007","80.603","0.005","86.257","0.005","75.615","0.005","2356.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 N3 O6 -","- C20 H37 N3 O6 -","- C80 H148 N12 O24 -","4","2","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide‒CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.1415","0.0998","","","0.2467","0.2779","","","","","","1.036","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207944","9.3487","0.0008","24.295","0.003","9.7998","0.0011","90","","102.135","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 O6 -","- C18 H33 N3 O6 -","- C72 H132 N12 O24 -","4","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide‒CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.0893","0.0601","","","0.1761","0.2076","","","","","","0.867","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207945","10.687","0.002","12.122","0.002","15.549","0.003","90","","90","","90","","2014.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0919","0.0471","","","0.0836","0.0976","","","","","","1.006","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207946","10.6982","0.0008","12.1633","0.0009","15.7632","0.0012","90","","90","","90","","2051.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N O -","- C25 H22 Cl N O -","- C100 H88 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0922","0.049","","","0.0887","0.102","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207947","10.6828","0.0006","12.1716","0.0007","15.9646","0.0009","90","","90","","90","","2075.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O -","- C25 H22 Br N O -","- C100 H88 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0552","0.0356","","","0.0666","0.0707","","","","","","0.898","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207948","8.2095","0.0005","14.0391","0.0008","19.7711","0.0012","90","","90","","90","","2278.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C116 H96 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0662","0.046","","","0.0994","0.108","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207949","10.752","0.0007","13.373","0.0017","16.005","0.003","90","","90","","90","","2301.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O -","- C29 H24 Cl N O -","- C116 H96 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1217","0.0579","","","0.0968","0.1191","","","","","","1.062","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207950","10.783","0.0005","13.494","0.0019","15.938","0.002","90","","90","","90","","2319.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O -","- C29 H24 Br N O -","- C116 H96 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1258","0.0517","","","0.1021","0.1264","","","","","","1.088","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207951","15.51","0.003","15.661","0.003","17.891","0.004","90","","90","","90","","4345.8","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","2","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1532","0.0499","","","0.0849","0.1114","","","","","","0.931","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207952","13.006","0.0013","13.637","0.0014","14.104","0.0015","79.971","0.0017","64.389","0.0015","71.276","0.0015","2134.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 N2 O18 Zn3 -","- C45 H33 N2 O18 Zn3 -","- C90 H66 N4 O36 Zn6 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1262","0.0629","","","0.126","0.1682","","","","","","1.065","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207953","10.005","0.002","11.303","0.003","12.206","0.003","100.797","0.003","107.308","0.004","98.944","0.004","1261.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd N4 O6 -","- C28 H24 Cd N4 O6 -","- C56 H48 Cd2 N8 O12 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.0864","0.0558","","","0.1265","0.1411","","","","","","1.002","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207954","9.361","0.0019","12.713","0.0019","12.755","0.003","111.843","0.002","105.938","0.002","97.104","0.002","1310.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C52 H40 Cd2 N8 O16 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1223","0.0611","","","0.0947","0.1074","","","","","","1.007","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207955","39.477","0.012","21.751","0.006","26.908","0.015","90","","131.554","0.002","90","","17290","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H132 Cl Cs N64 O59 -","- C138 H132 Cl Cs N64 O59 -","- C552 H528 Cl4 Cs4 N256 O236 -","4","0.5","","Chen, Kai; Liang, Li-Li; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","p-Hydroxybenzoic acid-induced formation of a novel framework based on direct coordination of caesium ions to cucurbit[8]uril","CrystEngComm","2012","14","11","3862","","10.1039/c2ce06505c","","","0.71073","MoKα","","0.1334","0.1089","","","0.3201","0.3432","","","","","","1.377","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207956","12.9555","0.0002","22.6337","0.0004","20.6389","0.0004","90","","94.147","0.002","90","","6036.12","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 N19 O23 Tb -","- C60 H42 N19 O23 Tb -","- C240 H168 N76 O92 Tb4 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0421","0.0352","","","0.0816","0.0855","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207957","19.5224","0.0003","19.5224","0.0003","8.4283","0.0002","90","","90","","120","","2781.87","0.09","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 N5.83 O5.17 Tb0.5 -","- C16 H15 N5.83333 O5.16667 Tb0.5 -","- C96 H90 N35 O31 Tb3 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0491","0.0425","","","0.114","0.118","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207958","17.3716","0.0006","17.3716","0.0006","39.5287","0.0016","90","","90","","120","","10330.5","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 Eu2 N19 O21.5 -","- C48 H45 Eu2 N19 O21.51 -","- C288 H270 Eu12 N114 O129.06 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0838","","","0.207","0.2139","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207959","12.986","0.0002","22.6333","0.0004","20.6359","0.0003","90","","94.335","0.002","90","","6047.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 Eu N19 O23 -","- C60 H42 Eu N19 O23 -","- C240 H168 Eu4 N76 O92 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0441","0.0361","","","0.0814","0.0857","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207960","19.5543","0.0004","19.5543","0.0004","8.4847","0.0003","90","","90","","120","","2809.65","0.13","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 Eu0.5 N5.83 O5.17 -","- C16 H15 Eu0.5 N5.83333 O5.16667 -","- C96 H90 Eu3 N35 O31 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.1286","0.1237","","","0.2792","0.2821","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207961","17.3754","0.0007","17.3754","0.0007","39.4344","0.0019","90","","90","","120","","10310.4","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 N19 O21.5 Tb2 -","- C48 H40.5 N19 O21.5 Tb2 -","- C288 H243 N114 O129 Tb12 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0732","","","0.1825","0.1936","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207962","11.1502","0.0003","13.5449","0.0002","14.6921","0.0002","113.808","0.001","101.505","0.001","100.238","0.001","1904.99","0.07","151","2","151","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 N6 Ni O7 -","- C44 H31 N6 Ni O7 -","- C88 H62 N12 Ni2 O14 -","2","1","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1216","","","","","","0.975","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207963","9.2237","0.0018","11.182","0.002","19.434","0.005","99.623","0.018","94.382","0.019","114.218","0.012","1778.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","1","0.5","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.1226","0.057","","","0.129","0.1592","","","","","","0.938","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207964","19.3929","0.001","12.5914","0.0006","7.589","0.0003","90","","107.013","0.002","90","","1772.02","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O5 -","- C6 H2 Cu2 N2 O5 -","- C48 H16 Cu16 N16 O40 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0918","0.0697","","","0.1771","0.1991","","","","","","0.997","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207965","19.3848","0.0004","12.5209","0.0002","7.7134","0.0002","90","","107.822","0.001","90","","1782.32","0.07","455","2","455","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4 -","- C6 H2 Cu2 N2 O4 -","- C48 H16 Cu16 N16 O32 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0942","0.0764","","","0.1746","0.1834","","","","","","1.578","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207966","19.4082","0.0004","12.5929","0.0002","7.5885","0.0002","90","","107.034","0.001","90","","1773.31","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4.83 -","- C6 H2 Cu2 N2 O4.83 -","- C48 H16 Cu16 N16 O38.64 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0813","0.0695","","","0.1625","0.1714","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207967","11.3426","0.0002","9.4653","0.0002","11.4987","0.0003","90","","102.212","0.002","90","","1206.58","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N2 O8 -","- C9 H9 Cl N2 O7.812 -","- C36 H36 Cl4 N8 O31.248 -","4","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","1.54184","CuKα","","0.084","0.0832","","","0.2127","0.2133","","","","","","1.064","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207968","8.1069","0.0016","9.2546","0.0019","9.999","0.002","64.91","0.03","74.11","0.03","69.67","0.03","630","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N2 O5 -","- C10 H10 Cl N2 O5 -","- C20 H20 Cl2 N4 O10 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.0842","0.0775","","","0.1904","0.1946","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207969","6.8215","0.0014","11.724","0.002","11.57","0.002","90","","103.04","0.03","90","","901.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 Cl N4 O7 -","- C18 H14 Cl N4 O7 -","- C36 H28 Cl2 N8 O14 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.2046","0.1628","","","0.4625","0.4937","","","","","","1.698","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207970","25.804","0.004","9.7779","0.0006","18.861","0.01","90","","136.399","0.012","90","","3282","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N8 O9 Zn -","- C30 H36 N8 O9 Zn -","- C120 H144 N32 O36 Zn4 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0797","0.0681","","","0.2273","0.2404","","","","","","1.091","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207971","25.876","0.008","9.8293","0.0008","17.814","0.003","90","","133.12","0.03","90","","3307","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd N8 O9 -","- C30 H36 Cd N8 O9 -","- C120 H144 Cd4 N32 O36 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0412","0.0344","","","0.0889","0.0923","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207972","12.5528","0.0006","10.2544","0.0004","15.8665","0.0011","90","","120.961","0.004","90","","1751.36","0.18","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N8 O7 Zn2 -","- C30 H32 Cl2 N8 O7 Zn2 -","- C60 H64 Cl4 N16 O14 Zn4 -","2","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.046","0.0366","","","0.0841","0.088","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207973","8.8844","0.0004","10.4799","0.0005","17.2726","0.0007","90","","98.368","0.004","90","","1591.09","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 Cd Cl N4 O2 -","- C15 H13 Cd Cl N4 O2 -","- C60 H52 Cd4 Cl4 N16 O8 -","4","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0767","0.0515","","","0.0751","0.0778","","","","","","2.137","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207974","21.3069","0.0015","10.2826","0.0007","17.8765","0.0012","90","","99.143","0.007","90","","3866.8","0.5","296","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cd N4 O4 -","- C21 H16 Cd N4 O4 -","- C168 H128 Cd8 N32 O32 -","8","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0517","0.0338","","","0.0656","0.0716","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207975","9.96","0.004","13.429","0.006","19.779","0.007","90","","111.794","0.017","90","","2456.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cd N5 O6 -","- C26 H21 Cd N5 O6 -","- C104 H84 Cd4 N20 O24 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0647","0.0469","","","0.1585","0.1856","","","","","","1.174","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207976","18.181","0.005","22.175","0.005","18.45","0.005","90","","90","","90","","7438","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H72 Cd3 N12 O20 S2 -","- C70 H60 Cd3 N12 O20 S2 -","- C280 H240 Cd12 N48 O80 S8 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71069","MoKα","","0.0538","0.0426","","","0.1208","0.1288","","","","","","1.021","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207977","45.497","0.002","10.5235","0.0005","19.09","0.0009","90","","99.969","0.001","90","","9002.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 Co3 N16 O18 S2 -","- C88 H82 Co3 N16 O18 S2 -","- C352 H328 Co12 N64 O72 S8 -","4","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0616","0.04","","","0.1016","0.1096","","","","","","1.09","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207978","9.3568","0.0008","15.2796","0.0014","9.5459","0.0009","90","","116.517","0.001","90","","1221.19","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.036","0.0301","","","0.0785","0.0817","","","","","","1.082","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7207979","13.419","0.003","14.427","0.003","10.793","0.002","90","","90.773","0.003","90","","2089.3","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 Ag N5 O4 -","- C19 H26 Ag N5 O4 -","- C76 H104 Ag4 N20 O16 -","4","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.047","0.0457","","","0.1252","0.1264","","","","","","1.138","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207980","13.9773","0.0008","13.9773","0.0008","18.263","0.002","90","","90","","120","","3089.9","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H13 Cu0.5 N2.5 O2 -","- C9 H13 Cu0.5 N2.5 O2 -","- C108 H156 Cu6 N30 O24 -","12","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.0515","0.0421","","","0.1163","0.1258","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207981","11.4823","0.0005","13.8691","0.0007","11.8073","0.0006","90","","113.293","0.0014","90","","1727.04","0.15","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 O8 S4 -","- C14 H11 O8 S4 -","- C56 H44 O32 S16 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0238","","","","0.0623","","","","","","1.055","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207982","10.9021","0.0005","29.581","0.0011","12.2738","0.0007","90","","94.688","0.0016","90","","3945","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 O14 S12 -","- C31 H21 O14 S12 -","- C124 H84 O56 S48 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0542","","","","0.0785","","","","","","1.074","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207983","12.084","0.003","20.891","0.004","15.674","0.004","90","","103.294","0.01","90","","3850.8","1.6","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C60 H41 O12 S32 -","- C60 H38 O12 S32 -","- C120 H76 O24 S64 -","2","0.5","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0319","","","","0.0815","","","","","","1.041","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207984","25.361","0.005","7.8374","0.0016","12.844","0.003","90","","90","","90","","2552.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H8 N16 O6 Pb4 -","- C16 H8 N16 O6 Pb4 -","- C64 H32 N64 O24 Pb16 -","4","1","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0341","0.0306","","","0.0643","0.0659","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207985","13.4523","0.001","13.4523","0.001","14.525","0.0014","90","","90","","90","","2628.5","0.4","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C16 H12 N16 O6 Pb4 -","- C16 H12 N16 O6 Pb4 -","- C64 H48 N64 O24 Pb16 -","4","0.25","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0927","0.0471","","","0.1109","0.1338","","","","","","1.072","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7207986","9.0277","0.0005","12.4356","0.0006","13.0643","0.0009","76.319","0.004","80.802","0.004","68.89","0.003","1324.9","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 I8 N2 Pb3 -","- C6 H12 I8 N2 Pb3 -","- C12 H24 I16 N4 Pb6 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1093","0.0667","","","0.1793","0.2149","","","","","","0.972","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207987","7.9629","0.0003","14.8833","0.0006","21.0907","0.001","90","","96.165","0.003","90","","2485.09","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 I6 N2 O Pb2 -","- C8 H18 I6 N2 O Pb2 -","- C32 H72 I24 N8 O4 Pb8 -","4","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.0877","0.0447","","","0.1177","0.1364","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207988","8.8807","0.0005","11.655","0.0007","14.2611","0.001","108.705","0.004","95.269","0.004","92.523","0.004","1387.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 I6 N2 O Pb2 -","- C10 H22 I6 N2 O Pb2 -","- C20 H44 I12 N4 O2 Pb4 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1045","0.0476","","","0.0827","0.0935","","","","","","1.028","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207989","7.977","","8.818","","15.252","","88.62","","79.86","","76.96","","1028.72","","200","2","200","2","","","","","","","","5","P -1","-P 1","2","nictotinic acid monoethylene glycol monomethyl ether silver nitrate","","","- C18 H22 Ag N3 O9 -","- C18 H22 Ag N3 O9 -","- C36 H44 Ag2 N6 O18 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.1905","0.1445","","","0.3917","0.4215","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207990","12.512","0.003","14.026","0.003","18.4","0.004","90","","90.63","0.03","90","","3228.9","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Triethylene glycol monomethyl ether nicotinate silver hexafluorophosphat","","","- C26 H38 Ag F6 N2 O10 P -","- C26 H38 Ag F6 N2 O10 P -","- C104 H152 Ag4 F24 N8 O40 P4 -","4","0.5","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","mokα","","0.0563","0.044","","","0.1039","0.1095","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207991","8.6012","0.0017","9.789","0.002","15.478","0.003","80.6","0.03","85.47","0.03","66.02","0.03","1174.6","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","monoethylene glycol monomethylether silver triflate","","","- C19 H22 Ag F3 N2 O9 S -","- C19 H22 Ag F3 N2 O9 S -","- C38 H44 Ag2 F6 N4 O18 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.0286","0.0235","","","0.054","0.0559","","","","","","1.034","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207992","6.9425","0.0014","14.521","0.003","15.221","0.003","65.67","0.03","85.39","0.03","89.13","0.03","1393.4","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","silver triflatre monomethyl diethylene glycol","","","- C23 H30 Ag F3 N2 O11 S -","- C23 H30 Ag F3 N2 O11 S -","- C46 H60 Ag2 F6 N4 O22 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","MoKα","","0.1489","0.1309","","","0.3167","0.3281","","","","","","1.152","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207993","21.783","0.006","11.251","0.002","15.826","0.004","90","","130.55","0.004","90","","2947.1","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O8.5 Zn -","- C11 H15 N3 O8.5 Zn -","- C88 H120 N24 O68 Zn8 -","8","1","","Cui, Yan-Feng; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","An unusual three-dimensional coordination network formed by parallel polythreading of two-fold polycatenated (6,3) layers","CrystEngComm","2012","14","12","4161","","10.1039/c2ce25113b","","","0.71075","MoKα","","0.0781","0.0533","","","0.0944","0.1032","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207994","11.1937","0.0005","9.8578","0.0002","20.458","0.0009","90","","91.604","0.002","90","","2256.56","0.15","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 Cu2 I5 O8 S8 Tb -","- C16 H48 Cu2 I5 O8 S8 Tb -","- C32 H96 Cu4 I10 O16 S16 Tb2 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0669","0.0512","","0.1631","0.1348","0.1631","","","","","","0.9636","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207995","11.0023","0.0002","12.948","0.0002","17.0582","0.00029","79.5186","0.0011","73.0295","0.0011","73.5139","0.001","2215.66","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H56 Cu I4 N8 O8 Tb -","- C24 H56 Cu I4 N8 O8 Tb -","- C48 H112 Cu2 I8 N16 O16 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0387","0.0292","","0.0748","0.0625","0.0748","","","","","","0.9046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207996","10.8626","0.0005","11.9515","0.0005","18.3798","0.0008","86.195","0.003","87.561","0.003","87.005","0.003","2375.8","0.18","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H54 Cu I4 O9 S9 Tb -","- C18 H54 Cu I4 O9 S9 Tb -","- C36 H108 Cu2 I8 O18 S18 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.0596","0.0519","","0.111","0.1004","0.111","","","","","","1.0253","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207997","19.474","0.001","18.597","0.001","12.222","0.002","90","","90","","90","","4426.3","0.8","110","","110","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C16 H48 I5 O8 S8 Tb -","- C16 H48 I5 O8 S8 Tb -","- C64 H192 I20 O32 S32 Tb4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.1141","0.1006","","0.1739","0.1689","0.1739","","","","","","1.0551","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207998","13.83","0.02","13.83","0.02","61.5","0.4","90","","90","","120","","10187","7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C18 H48 Cu9 I14 N6 O9 Tb -","- C18 H48 Cu9 I14 N6 O9 Tb -","- C108 H288 Cu54 I84 N36 O54 Tb6 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.1156","0.0632","","0.1363","0.0709","0.0671","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207999","13.6447","0.0017","7.2706","0.0009","15.5079","0.0014","90","","122.524","0.007","90","","1297.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cu2 N4 O7 -","- C11 H8 Cu2 N4 O7 -","- C44 H32 Cu8 N16 O28 -","4","1","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0664","0.0582","","","0.1484","0.1569","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208000","10.603","0.002","12.39","0.003","12.774","0.003","80.25","0.03","70.91","0.03","67.35","0.03","1461.7","0.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","1","0.5","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0445","0.0342","","","0.089","0.097","","","","","","0.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208001","5.8941","0.0012","14.565","0.003","22.299","0.005","90","","97.3","0.03","90","","1898.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Milius, Wolfgang; Breu, Josef","Co-crystallisation of benzoic acid with sodium benzoate: the significance of stoichiometry","CrystEngComm","2012","14","11","3945","","10.1039/c2ce25185j","","","0.71073","MoKα","","0.0791","0.0374","","","0.084","0.0947","","","","","","0.803","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208002","5.323","0.006","13.091","0.015","19.48","0.02","90","","91.18","0.03","90","","1357","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 La3 Li3 O32 W8 -","- Ba2 La3 Li3 O32 W8 -","- Ba4 La6 Li6 O64 W16 -","2","0.25","","Pan, Yu; Chen, Yujin; Lin, Yanfu; Gong, Xinghong; Huang, Jianhua; Luo, Zundu; Huang, Yidong","Structure, spectral properties and laser performance of Tm3±doped Li3Ba2La3(WO4)8 crystal","CrystEngComm","2012","14","11","3930","","10.1039/c2ce25190f","","","0.71073","MoKα","","0.038","0.0358","","","0.087","0.0946","","","","","","1.073","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208003","6.86","0.001","8.7768","0.0012","11.895","0.0016","78.96","0.002","82.287","0.002","80.2","0.002","688.84","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Nicotinamide hydrochloride base salt","","","- C12 H15 Cl N4 O3 -","- C12 H15 Cl N4 O3 -","- C24 H30 Cl2 N8 O6 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0418","0.0313","","","0.0809","0.0861","","","","","","1.018","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208004","8.8921","0.0012","5.775","0.0008","26.92","0.004","90","","95.899","0.003","90","","1375.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium hydrogen bis(naproxate) methanol solvate","","","- C30 H35 Na O8 -","- C30 H35 Na O8 -","- C60 H70 Na2 O16 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0497","0.0374","","","0.0903","0.0957","","","","","","1.037","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208005","8.5777","0.0012","5.8968","0.0008","16.506","0.002","90","","92.35","0.002","90","","834.19","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Naproxen sodium mono salt DMF solvate","","","- C17 H20 N Na O4 -","- C17 H20 N Na O4 -","- C34 H40 N2 Na2 O8 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0354","0.0315","","","0.0813","0.0837","","","","","","1.05","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208006","7.4527","0.0004","11.7415","0.0006","12.156","0.0006","90.262","0.001","103.354","0.001","103.308","0.001","1005.29","0.09","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","1","0.5","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.0222","0.0203","","","0.0537","0.0547","","","","","","1.053","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208007","15.0607","0.0012","12.1512","0.001","16.2654","0.0013","90","","113.337","0.001","90","","2733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N9 O8 -","- C28 H20 Cu2 N9 O8 -","- C112 H80 Cu8 N36 O32 -","4","1","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.083","0.0428","","","0.0934","0.1099","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208008","11.9088","0.0004","11.9088","0.0004","8.3166","0.0006","90","","90","","120","","1021.44","0.09","298","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0327","0.0315","","","0.0815","0.0826","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208009","11.9058","0.0007","11.9058","0.0007","8.3177","0.0011","90","","90","","120","","1021.06","0.16","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0281","0.0268","","","0.0646","0.0652","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208010","11.8429","0.0011","11.8429","0.0011","8.2715","0.0014","90","","90","","120","","1004.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0432","0.0404","","","0.0983","0.1005","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208011","11.9194","0.0006","11.9194","0.0006","8.3261","0.0011","90","","90","","120","","1024.43","0.15","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0728","0.0741","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208012","11.9329","0.0013","11.9329","0.0013","8.3384","0.0018","90","","90","","120","","1028.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0343","0.0313","","","0.0711","0.0728","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208013","11.9072","0.0005","11.9072","0.0005","8.3161","0.0006","90","","90","","120","","1021.1","0.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0254","0.0245","","","0.0647","0.0652","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208014","11.9175","0.0006","11.9175","0.0006","8.3253","0.0013","90","","90","","120","","1024","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.024","0.0226","","","0.0573","0.0578","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208015","11.9166","0.0004","11.9166","0.0004","8.3263","0.0004","90","","90","","120","","1023.97","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0268","0.0243","","","0.0592","0.06","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208016","11.9118","0.0004","11.9118","0.0004","8.326","0.0005","90","","90","","120","","1023.11","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0272","0.0237","","","0.0508","0.052","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208017","11.9109","0.0006","11.9109","0.0006","8.3215","0.0009","90","","90","","120","","1022.4","0.13","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0261","0.025","","","0.0595","0.0601","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208018","9.5545","0.0012","10.3457","0.0013","13.7876","0.0017","81.615","0.001","82.813","0.001","70.723","0.001","1268.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(dppip)2(bpy)(H2O)4)(dmf)(H2O)1.5","","","- C41 H60 N3 O22 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.1293","0.0788","","","0.1565","0.1709","","","","","","1.086","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208019","8.463","0.002","11.263","0.003","11.774","0.003","110.96","0.002","96.523","0.003","108.941","0.002","957.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","","- C16 H21 N O10 P Zn -","- C16 H21 N O10 P Zn -","- C32 H42 N2 O20 P2 Zn2 -","2","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0268","0.0262","","","0.0755","0.0759","","","","","","1.067","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208020","9.7414","0.0011","16.0486","0.0018","11.0596","0.0012","90","","95.446","0.001","90","","1721.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","","- C13 H18 N O7 P Zn -","- C13 H18 N O7 P Zn -","- C52 H72 N4 O28 P4 Zn4 -","4","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0558","0.0379","","","0.088","0.0968","","","","","","1.068","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208021","5.136","0.0014","12.264","0.003","12.574","0.003","69.555","0.003","79.414","0.003","82.245","0.003","727.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(H2pip)2(bpy))2(H2O)","","","- C26 H22 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0687","0.0384","","","0.0903","0.0976","","","","","","1.036","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208042","9.863","0.003","10.363","0.003","11.563","0.003","90","","113.28","0.02","90","","1085.6","0.6","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0509","0.0475","","","0.1263","0.1291","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208043","13.864","0.004","6.004","0.002","14.041","0.004","90","","103.95","0.02","90","","1134.3","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0421","0.0409","","","0.1126","0.1135","","","","","","1.139","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208044","11.05","0.003","14.2","0.003","10.068","0.002","90","","95.397","0.016","90","","1572.8","0.6","293","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18.5 H17 N2 O -","- C18.5 H16.5 N2 O -","- C74 H66 N8 O4 -","4","1","","Choi, Eun-Young; Jazbinsek, Mojca; Lee, Seung-Heon; Günter, Peter; Yun, Hoseop; Lee, Soon W.; Kwon, O-Pil","Co-crystal structure selection of nonlinear optical analogue polyenes","CrystEngComm","2012","14","13","4306","","10.1039/c2ce06057d","","","0.71073","MoKα","","0.1835","0.0664","","","0.1326","0.1798","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208045","12.7407","0.0003","12.7787","0.0003","15.996","0.0004","86.701","0.002","72.142","0.002","60.438","0.003","2142.27","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H52 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0859","0.0919","","","","","","1.089","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208046","12.55","0.0006","12.9301","0.0006","16.1279","0.0007","106.08","0.004","93.353","0.004","118.627","0.005","2149.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.093","0.0576","","","0.1334","0.1469","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208047","12.7609","0.0006","12.7682","0.0006","16.0315","0.0007","87.646","0.004","72.508","0.004","60.477","0.005","2149.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H60 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0675","0.0425","","","0.0845","0.0971","","","","","","1.007","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208048","12.7","0.005","12.714","0.005","15.99","0.005","72.773","0.005","88.047","0.005","60.583","0.005","2128.8","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H59 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0611","0.0416","","","0.0948","0.1036","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208049","8.3238","0.0005","20.5408","0.0011","9.6118","0.0005","90","","102.496","0.005","90","","1604.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H35 Cu3 La O34 -","- C9 Cu3 La O34 -","- C18 Cu6 La2 O68 -","2","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","MoKα","","0.0621","0.0454","","","0.0946","0.1014","","","","","","1.088","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208050","11.796","0.003","12.218","0.003","18.964","0.011","90","","93.794","0.016","90","","2727.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 Cu3 La O31 -","- C9 Cu3 La O31 -","- C36 Cu12 La4 O124 -","4","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","Mokα","","0.0601","0.0458","","","0.1219","0.1448","","","","","","1.135","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208051","6.0895","0.0004","10.4778","0.0009","11.4086","0.001","73.688","0.007","77.256","0.007","85.402","0.006","681.28","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 N O7 Zn -","- C10 H21 N O7 Zn -","- C20 H42 N2 O14 Zn2 -","2","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.1988","0.0945","","","0.2342","0.2695","","","","","","1.065","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208052","8.4232","0.0005","10.0883","0.0005","10.1361","0.0006","91.118","0.004","113.57","0.005","98.367","0.005","778.19","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","1","0.5","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.0532","0.03","","","0.0624","0.0696","","","","","","1.011","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208053","22.496","0.003","22.496","0.003","14.87","0.003","90","","90","","120","","6517.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H12 Cd Cl N5 O -","- C11 H12 Cd Cl N5 O -","- C198 H216 Cd18 Cl18 N90 O18 -","18","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0444","0.0418","","","0.1338","0.1365","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208054","6.4648","0.0013","9.841","0.002","30.508","0.006","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N5 -","- C10 H8 N5 -","- C80 H64 N40 -","8","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0764","0.0754","","","0.1805","0.1813","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208055","11.6973","0.0002","10.268","0.0002","15.3761","0.0003","90","","94.2943","0.0019","90","","1841.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 S -","- C16 H14 Cd2 O12 S -","- C64 H56 Cd8 O48 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.047","0.0377","","","0.054","0.0556","","","","","","1.456","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208056","24.577","0.005","9.858","0.002","19.961","0.004","90","","109.71","0.03","90","","4552.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cd4 N2 O21 S2 -","- C44 H32 Cd4 N2 O21 S2 -","- C176 H128 Cd16 N8 O84 S8 -","4","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0468","0.0417","","","0.0846","0.0874","","","","","","1.157","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208057","11.418","0.002","14.628","0.003","20.288","0.006","90","","120.49","0.02","90","","2920","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O8 S -","- C30 H20 Cd2 N4 O8 S -","- C120 H80 Cd8 N16 O32 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0929","0.0769","","","0.187","0.2045","","","","","","1.226","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208058","19.695","0.004","9.2506","0.0019","18.77","0.004","90","","90","","90","","3419.7","1.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 N2 O17 S -","- C28 H32 Cd2 N2 O17 S -","- C112 H128 Cd8 N8 O68 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0311","0.0302","","","0.0659","0.0663","","","","","","1.094","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208059","9.2969","0.0005","15.1541","0.0007","21.5699","0.001","77.95","0.004","89.748","0.004","86.294","0.004","2965.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","1","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0745","0.0491","","","0.1061","0.117","","","","","","0.95","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208060","8.709","0.004","11.587","0.005","8.28","0.003","90","","90","","90","","835.5","0.6","120","2","120","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H8 Mg N2 O6 -","- C4 H8 Mg N2 O6 -","- C16 H32 Mg4 N8 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.0331","0.0293","","","0.0791","0.0819","","","","","","1.109","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208061","8.391","0.002","11.831","0.002","8.842","0.001","90","","90","","90","","877.8","0.3","298","2","298","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mg N3 O6 -","- C4 H9 Mg N3 O6 -","- C16 H36 Mg4 N12 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.1345","0.1031","","","0.2709","0.3236","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208062","11.667","0.002","8.3608","0.0016","12.363","0.002","90","","93.224","0.002","90","","1204","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0306","0.0286","","","0.0689","0.07","","","","","","1.042","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208063","17.55","0.004","12.839","0.003","18.15","0.004","90","","90","","90","","4089.6","1.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 O5 Zn -","- C22 H16 N4 O5 Zn -","- C176 H128 N32 O40 Zn8 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.1154","0.0534","","","0.124","0.1536","","","","","","1.004","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208064","17.4706","0.0018","12.8946","0.0013","18.194","0.002","90","","90","","90","","4098.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Co N4 O5 -","- C22 H16 Co N4 O5 -","- C176 H128 Co8 N32 O40 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0492","0.0359","","","0.0968","0.103","","","","","","1.083","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208065","10.3055","0.0009","16.9232","0.0014","12.759","0.0011","90","","101.976","0.001","90","","2176.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N4 O5 -","- C24 H16 Co N4 O5 -","- C96 H64 Co4 N16 O20 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0775","0.0807","","","","","","1.086","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208066","9.0336","0.0008","10.155","0.0009","15.4904","0.0013","107.652","0.001","97.168","0.001","105.296","0.001","1273.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cd1.5 N4 O11 -","- C24 H19 Cd1.5 N4 O11 -","- C48 H38 Cd3 N8 O22 -","2","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0417","0.0288","","","0.0638","0.0693","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208067","19.821","0.003","7.474","0.0013","20.988","0.004","90","","105.716","0.002","90","","2993","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Co1.5 N5 O12 -","- C29 H26 Co1.5 N5 O12 -","- C116 H104 Co6 N20 O48 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0623","0.0429","","","0.1041","0.1154","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208068","9.05","0.0003","19.4931","0.0007","12.0533","0.0004","90","","90","","90","","2126.35","0.13","150","2","150","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C4 H54 Fe Mo4 N7 O36 P4 -","- C4 H6 Fe Mo4 O26 P4 -","- C8 H12 Fe2 Mo8 O52 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0945","0.0819","","","0.1934","0.1989","","","","","","1.133","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208069","19.34","0.003","8.9709","0.0015","12.18","0.002","90","","90","","90","","2113.2","0.6","103","2","103","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C4 H51.34 Cr Mo4 N4 Na O39.67 P4 -","- C4 H30 Cr Mo4 N4 Na O39.66 P4 -","- C8 H60 Cr2 Mo8 N8 Na2 O79.32 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0509","0.049","","","0.1441","0.1459","","","","","","0.999","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208070","17.531","0.003","19.863","0.003","12.896","0.002","90","","90.48","0.003","90","","4490.5","1.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H51.3 Mo6 N8 O36.65 P4 -","- C4 H8 Mo6 N8 O36.65 P4 -","- C16 H32 Mo24 N32 O146.6 P16 -","4","1","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0754","0.0605","","","0.1384","0.1468","","","","","","1.1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208071","10.674","0.002","10.9232","0.0013","8.796","0.002","90","","125.04","0.03","90","","839.7","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N4 -","- C6 H14 N4 -","- C24 H56 N16 -","4","0.5","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0546","0.0524","","","0.1331","0.1358","","","","","","1.155","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208072","8.0454","0.0005","8.9859","0.0019","13.0298","0.0017","92.702","0.014","100.424","0.01","115.058","0.014","831.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N5 O2 -","- C15 H25 N5 O2 -","- C30 H50 N10 O4 -","2","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0555","0.0472","","","0.1208","0.1254","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208073","18.5835","0.0014","5.4789","0.0005","20.2394","0.0019","90","","90.425","0.008","90","","2060.7","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0431","0.0361","","","0.0979","0.1023","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208074","8.8941","0.0013","8.8941","0.0013","6.3353","0.0013","90","","90","","120","","434.01","0.13","295","2","295","2","","","2620000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0226","0.0215","","","0.05","0.0515","","","","","","1.182","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208075","8.8116","0.0012","8.8116","0.0012","6.2705","0.0013","90","","90","","120","","421.64","0.12","295","2","295","2","","","3040000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0175","0.0172","","","0.044","0.0442","","","","","","1.096","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208076","5.3006","0.0007","9.8562","0.0015","6.8405","0.001","90","","98.173","0.013","90","","353.74","0.09","120","0.1","120","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0654","0.06","","","0.151","0.154","","","","","","1.072","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208077","5.2815","0.0006","9.8152","0.0014","6.7653","0.0009","90","","98.071","0.012","90","","347.23","0.08","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0602","0.0552","","","0.1391","0.1433","","","","","","0.999","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208078","51.285","0.01","11.694","0.002","31.093","0.006","90","","112.22","0.03","90","","17263","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H45 F18 N4 O12 Tb -","- C51 H45 F18 N4 O12 Tb -","- C612 H540 F216 N48 O144 Tb12 -","12","1.5","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0417","0.0344","","","0.0765","0.0806","","","","","","1.072","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208079","11.844","0.002","14.694","0.003","17.86","0.004","97.57","0.03","93.51","0.03","107.98","0.03","2913.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Ho N4 O12 -","- C51 H45 F18 Ho N4 O12 -","- C102 H90 F36 Ho2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0872","0.0437","","","0.0641","0.07","","","","","","0.852","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208080","11.778","0.002","14.717","0.003","17.644","0.003","97.39","0.03","93.68","0.03","107.89","0.03","2868.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Er F18 N4 O12 -","- C51 H45 Er F18 N4 O12 -","- C102 H90 Er2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.081","0.0632","","","0.1453","0.1601","","","","","","1.078","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208081","11.768","0.002","14.695","0.003","17.642","0.003","97.37","0.03","93.85","0.03","108.19","0.03","2855.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Tm -","- C51 H45 F18 N4 O12 Tm -","- C102 H90 F36 N8 O24 Tm2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0618","0.0488","","","0.103","0.1086","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208082","12.296","0.003","14.312","0.003","19.009","0.004","100.89","0.03","103.92","0.03","111.24","0.03","2882.1","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Gd N4 O12 -","- C51 H45 F18 Gd N4 O12 -","- C102 H90 F36 Gd2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0394","0.0365","","","0.0918","0.0944","","","","","","1.051","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208083","12.237","0.002","14.223","0.003","18.868","0.004","100.82","0.03","104.15","0.03","111.08","0.03","2829.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Dy F18 N4 O12 -","- C51 H45 Dy F18 N4 O12 -","- C102 H90 Dy2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0564","0.0477","","","0.1108","0.1165","","","","","","1.076","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208084","12.388","0.003","14.306","0.003","19.221","0.004","100.93","0.03","103.76","0.03","111.6","0.03","2927.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Pr -","- C51 H45 F18 N4 O12 Pr -","- C102 H90 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0692","0.0559","","","0.136","0.1436","","","","","","1.034","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208085","29","0.02","11.358","0.008","20.024","0.015","90","","97.977","0.009","90","","6532","8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N2 O3 -","- C18 H21 N2 O3 -","- C288 H336 N32 O48 -","16","4","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.1363","0.1015","","","0.2319","0.255","","","","","","1.011","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208086","17.693","0.003","17.693","0.003","13.907","0.003","90","","90","","120","","3770.2","1.2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C180 H162 N18 O36 -","6","0.333333","","Naseer, Muhammad Moazzam; Hameed, Shahid","Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH‒π and π‒π interactions","CrystEngComm","2012","14","13","4247","","10.1039/c2ce25118c","","","0.71073","MoKα","","0.0701","0.0401","","","0.0892","0.0989","","","","","","1.012","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208087","5.2959","0.0008","5.011","0.0008","21.651","0.014","90","","98.78","0.04","90","","567.8","0.4","296","2","296","2","640000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1081","0.0927","","","0.1775","0.1883","","","","","","1.211","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208088","5.3454","0.0015","5.04","0.0016","21.688","0.017","90","","98.36","0.08","90","","578.1","0.5","296","2","296","2","420000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.125","0.0999","","","0.1986","0.2153","","","","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208089","5.402","0.004","5.067","0.003","21.751","0.015","90","","98.1","0.06","90","","589.4","0.7","296","2","296","2","210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1365","0.0875","","","0.0767","0.0847","","","","","","1.477","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208090","5.1036","0.0011","4.8981","0.001","21.176","0.016","90","","100.38","0.06","90","","520.7","0.4","296","2","296","2","1960000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1128","0.0765","","","0.0919","0.1048","","","","","","1.301","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208091","5.1578","0.0011","4.9334","0.0011","21.302","0.015","90","","99.82","0.06","90","","534.1","0.4","296","2","296","2","1480000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0886","0.0667","","","0.099","0.1053","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208092","5.2086","0.001","4.9633","0.0011","21.468","0.015","90","","99.48","0.06","90","","547.4","0.4","296","2","296","2","1120000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0716","0.0509","","","0.1324","0.1503","","","","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208093","5.077","0.014","4.893","0.009","21.1","0.06","90","","100.6","0.4","90","","515","2","296","2","296","2","2210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.2213","0.0982","","","0.1083","0.1479","","","","","","1.269","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208094","7.0066","0.0006","6.2397","0.0005","19.8205","0.0017","90","","96.494","0.002","90","","860.97","0.13","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0473","0.0431","","","0.0994","0.1021","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208095","7.0662","0.0008","6.1893","0.0007","29.342","0.004","90","","90.006","0.002","90","","1283.3","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C60 H64 N4 O8 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0564","0.0535","","","0.125","0.127","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208096","7.357","0.002","6.1288","0.0017","20.081","0.006","90","","91.129","0.005","90","","905.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71075","MoKα","","0.0333","0.0328","","","0.0869","0.0874","","","","","","0.971","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208097","29.1775","0.0014","6.2427","0.0003","7.2407","0.0003","90","","90","","90","","1318.87","0.1","115","2","115","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N O3 S -","- C14 H16 N O3 S -","- C56 H64 N4 O12 S4 -","4","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0335","0.0325","","","0.0831","0.0839","","","","","","1.064","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208098","10.9234","0.0009","10.215","0.0008","11.2637","0.0009","90","","110.589","0.004","90","","1176.55","0.17","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0374","0.0276","","","0.0633","0.0691","","","","","","0.942","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208099","6.0832","0.0004","10.8664","0.0006","18.1086","0.001","90","","99.668","0.003","90","","1180.02","0.12","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0308","0.0288","","","0.0671","0.0685","","","","","","1.06","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208100","13.639","0.005","10.538","0.003","16.393","0.005","90","","91.222","0.005","90","","2355.6","1.3","168","2","168","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C136 H96 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0645","0.0287","","","0.0484","0.0515","","","","","","0.817","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208101","14.6673","0.0009","10.3305","0.0006","12.8647","0.0008","90","","114.247","0.003","90","","1777.31","0.19","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C96 H72 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.052","0.0374","","","0.0858","0.0946","","","","","","0.982","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208102","10.5532","0.0008","10.8903","0.0008","13.9116","0.0011","90","","106.76","0.004","90","","1530.9","0.2","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C88 H64 Fe4 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0421","0.0329","","","0.0774","0.0825","","","","","","1.085","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208103","7.5456","0.0005","10.1672","0.0007","11.635","0.0007","90","","98.492","0.004","90","","882.82","0.1","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C48 H40 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.037","0.0285","","","0.0658","0.0701","","","","","","1.004","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208104","9.2705","0.0005","9.7701","0.0005","11.4534","0.0006","72.887","0.001","80.213","0.0009","64.052","0.001","890.48","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N5 O4 -","- C18 H19 Co N5 O4 -","- C36 H38 Co2 N10 O8 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0348","0.033","","","0.095","0.0967","","","","","","1.011","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208105","11.0663","0.0005","7.617","0.0003","16.0392","0.0007","90","","91.754","0.001","90","","1351.34","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Co N3 O4 -","- C13 H12 Co N3 O4 -","- C52 H48 Co4 N12 O16 -","4","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0328","0.0291","","","0.0857","0.0892","","","","","","1.002","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208106","10.195","0.002","10.242","0.005","12.011","0.002","100.37","0.04","95.68","0.03","115.82","0.02","1088","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Co N5 O5 -","- C22 H21 Co N5 O5 -","- C44 H42 Co2 N10 O10 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.1126","0.0742","","","0.19","0.2094","","","","","","1.018","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208107","10.7631","0.0004","11.1927","0.0004","15.5583","0.0006","107.109","0.001","95.305","0.0009","99.155","0.001","1749.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Co2 N8 O8 -","- C37 H31 Co2 N8 O8 -","- C74 H62 Co4 N16 O16 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0368","0.0337","","","0.0933","0.0957","","","","","","1.027","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208108","11.8113","0.001","16.3344","0.0014","13.8479","0.0012","90","","112.851","0.001","90","","2462","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 O25 Zn3 -","- C12 H32 O25 Zn3 -","- C48 H128 O100 Zn12 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0414","0.0302","","","0.0639","0.0689","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208109","11.8151","0.0013","16.3216","0.0019","13.8362","0.0016","90","","112.766","0.001","90","","2460.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Co3 O25 -","- C12 H32 Co3 O25 -","- C48 H128 Co12 O100 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0591","0.0463","","","0.1092","0.1157","","","","","","1.041","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208110","17.0978","0.0017","8.3863","0.0008","27.613","0.003","90","","104.65","0.001","90","","3830.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Cu5 O38 -","- C24 H42 Cu5 O38 -","- C96 H168 Cu20 O152 -","4","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0279","0.0254","","","0.0698","0.0712","","","","","","1.089","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208111","14.2531","0.0012","14.2531","0.0012","14.554","0.002","90","","90","","120","","2560.5","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H14 Ni2 O13 -","- C8 H14 Ni2 O13 -","- C72 H126 Ni18 O117 -","9","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0416","0.0352","","","0.1092","0.1124","","","","","","1.238","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208112","10.2897","0.0017","11.3848","0.0019","20.042","0.003","90","","90.712","0.002","90","","2347.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O15 Zn -","- C22 H24 N2 O15 Zn -","- C88 H96 N8 O60 Zn4 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0578","0.0387","","","0.0848","0.0949","","","","","","1.023","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208113","38.326","0.003","11.334","0.001","26.909","0.004","90","","131.031","0.001","90","","8817.6","1.7","566","2","566","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H35 N7 O16 Zn2 -","- C48 H35 N7 O16 Zn2 -","- C384 H280 N56 O128 Zn16 -","8","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0753","0.0472","","","0.1175","0.1303","","","","","","1.05","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208114","20.7","0.005","11.623","0.003","29.216","0.006","90","","118.682","0.013","90","","6167","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 Cd2 N6 O29 -","- C54 H44 Cd2 N6 O29 -","- C216 H176 Cd8 N24 O116 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.1355","0.0828","","","0.2369","0.2763","","","","","","0.93","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208115","12.8575","0.0016","14.2518","0.0017","16.053","0.003","101.572","0.002","107.553","0.002","112.338","0.001","2422.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H51 Co1.5 N6 O21 -","- C42 H49 Co1.5 N6 O21 -","- C84 H98 Co3 N12 O42 -","2","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0641","0.0528","","","0.1419","0.1526","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208116","13.138","0.003","11.446","0.002","26.722","0.005","90","","104.23","","90","","3895.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mn N4 O19 -","- C36 H40 Mn N4 O19 -","- C144 H160 Mn4 N16 O76 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.138","0.0608","","","0.1222","0.1476","","","","","","0.849","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208117","14.3386","0.0007","16.8561","0.0009","16.9461","0.0009","67.343","0.005","84.739","0.004","77.298","0.004","3687.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","synthesis as described","","","- C119 H43 Cl4 Fe N4 -","- C118.994 H42.996 Cl3.998 Fe N4 -","- C237.988 H85.992 Cl7.996 Fe2 N8 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.105","0.0661","","","0.1938","0.2142","","","","","","1.133","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208118","10.7512","0.0005","10.9907","0.0005","11.0421","0.0005","73.687","0.001","72.95","0.001","62.057","0.001","1085.97","0.09","140","2","140","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.048","0.0356","","","0.0818","0.089","","","","","","1.029","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208119","24.2284","0.001","24.2284","0.001","20.6629","0.0016","90","","90","","120","","10504.4","1","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H50.67 Ag2.67 Cl2.67 N8 O12 -","- C36 H50.6633 Ag2.66667 Cl2.66667 N8 O12 -","- C324 H455.97 Ag24 Cl24 N72 O108 -","9","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.08","0.0489","","","0.0954","0.1146","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208120","9.254","0.0019","10.25","0.002","11.625","0.002","90","","104.4","0.003","90","","1068","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Ag Cl N4 O5 -","- C18 H26 Ag Cl N4 O5 -","- C36 H52 Ag2 Cl2 N8 O10 -","2","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.0762","0.0738","","","0.1717","0.1729","","","","","","1.087","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208121","6.1014","0.001","24.246","0.005","5.1617","0.0008","90","","93.598","0.009","90","","762.1","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dibromotetrafluorobenzene","1,3-Dibromotetrafluorobenzene","","- C6 Br2 F4 -","- C6 Br2 F4 -","- C24 Br8 F16 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0308","0.0215","","","0.0496","0.0522","","","","","","1.097","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208122","26.751","0.003","8.9439","0.0009","17.2175","0.0018","90","","119.428","0.002","90","","3587.9","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Dibromotetrafluorobenzene Hexamethyphosphoramide","1,3-Dibromotetrafluorobenzene Hexamethylphosphoramide","","- C12 H18 Br2 F4 N3 O P -","- C12 H18 Br2 F4 N3 O P -","- C96 H144 Br16 F32 N24 O8 P8 -","8","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0365","0.0247","","","0.0543","0.0574","","","","","","1.023","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208123","10.1518","0.0019","5.3303","0.0011","21.945","0.004","90","","90","","90","","1187.5","0.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Dibromotetrafluorobenzene Dimethyl sulfoxide","1,3-Dibromotetrafluorobenzene Dimethyl sulfoxide","","- C8 H6 Br2 F4 O S -","- C8 H6 Br2 F4 O S -","- C32 H24 Br8 F16 O4 S4 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0604","0.0412","","","0.0946","0.1341","","","","","","1.09","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208124","56.546","0.006","8.1861","0.0008","8.6095","0.0009","90","","90","","90","","3985.3","0.7","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","Dibromotetrafluorobenzene Dimethyl formamide","Dibromotetrafluorobenzene Dimethyl formamide","","- C15 H7 Br4 F8 N O -","- C15 H7 Br4 F8 N O -","- C120 H56 Br32 F64 N8 O8 -","8","0.5","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0543","0.0352","","","0.0752","0.1013","","","","","","1.184","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208125","15.0427","0.001","19.2867","0.0008","15.3115","0.0007","90","","106.433","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cd2 N12 O2 S6 -","- C32 H48 Cd2 N12 O2 S6 -","- C128 H192 Cd8 N48 O8 S24 -","4","0.5","","Martínez-Calvo, Miguel; Pedrido, Rosa; González-Noya, Ana M.; Cwiklinska, Magdalena; Zaragoza, Guillermo; Bermejo, Manuel R.","Chains or grids of cadmium(ii) helicates?","CrystEngComm","2012","14","13","4270","","10.1039/c2ce25551k","","x-ray","0.7107","MoKα","","0.0487","0.0296","","","0.056","0.0619","","","","","","1.02","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208155","12.668","0.005","22.274","0.005","14.366","0.004","90","","123.07","0.02","90","","3397","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 N20 O50 P W12 -","- C24 H16 Ag6 N20 O50 P W12 -","- C48 H32 Ag12 N40 O100 P2 W24 -","2","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0711","0.0623","","","0.1521","0.1578","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208156","10.231","0.005","12.979","0.005","13.33","0.005","96.035","0.005","112.394","0.005","97.434","0.005","1599.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0967","0.0623","","","0.1712","0.2002","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208157","12.03","0.005","13.925","0.005","22.761","0.005","95.882","0.005","104.85","0.005","104.044","0.005","3520","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H20 Ag7 K N25 O40 Si W12 -","- C30 H20 Ag7 K N25 O40 Si W12 -","- C60 H40 Ag14 K2 N50 O80 Si2 W24 -","2","1","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1243","0.0749","","","0.1768","0.2028","","","","","","1.021","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208158","12.004","0.005","13.943","0.005","22.746","0.005","95.776","0.005","105.206","0.005","104.265","0.005","3504","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1517","0.066","","","0.158","0.214","","","","","","1.006","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208159","9.2264","0.0003","7.7926","0.0003","25.4538","0.0009","90","","90","","90","","1830.07","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cd O5 -","- C8 H8 Cd O5 -","- C64 H64 Cd8 O40 -","8","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.038","0.0347","","","0.0884","0.0895","","","","","","1.275","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208160","12.1516","0.0005","10.0138","0.0003","17.5544","0.0005","90","","107.844","0.004","90","","2033.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cd2 N4 O13 -","- C40 H32 Cd2 N4 O13 -","- C80 H64 Cd4 N8 O26 -","2","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0307","0.0242","","","0.0662","0.068","","","","","","1.064","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208161","7.1646","0.0003","9.1391","0.0005","14.6408","0.0007","74.03","0.004","79.564","0.004","83.527","0.004","904.4","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 O20 Zn5 -","- C32 H34 O20 Zn5 -","- C32 H34 O20 Zn5 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0604","0.0507","","","0.1413","0.1489","","","","","","1.07","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208162","18.23","0.0004","18.23","0.0004","17.1118","0.0005","90","","90","","120","","4924.9","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C18 H18 N2 O5 Zn -","- C18 H16 N2 O4 Zn -","- C162 H144 N18 O36 Zn9 -","9","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0847","0.0794","","","0.2133","0.2198","","","","","","1.082","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208163","10.0635","0.0005","6.1226","0.0002","19.9763","0.0009","90","","103.34","0.005","90","","1197.63","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cu N O4 -","- C13 H12 Cu N O4 -","- C52 H48 Cu4 N4 O16 -","4","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0412","0.0308","","","0.0799","0.0821","","","","","","0.993","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208164","7.316","0.002","32.023","0.005","16.533","0.003","90","","99.91","0.02","90","","3815.6","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Mn3 O11 -","- C34 H20 F12 Mn3 O11 -","- C136 H80 F48 Mn12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208165","7.127","0.001","31.803","0.004","16.424","0.002","90","","99.89","0.02","90","","3667.3","0.9","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Co3 F12 O11 -","- C34 H20 Co3 F12 O11 -","- C136 H80 Co12 F48 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208166","7.085","0.002","31.766","0.007","16.404","0.004","90","","99.78","0.04","90","","3638.3","1.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Ni3 O11 -","- C34 H20 F12 Ni3 O11 -","- C136 H80 F48 Ni12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208167","19.0301","0.0014","7.2336","0.0005","20.5002","0.0015","90","","106.629","0.001","90","","2704","0.3","273","2","273","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C51 H25 Co2 F18 O12 -","- C51 H25 Co2 F18 O12 -","- C102 H50 Co4 F36 O24 -","2","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","0.71073","MoKα","","0.0583","0.0461","","","0.1279","0.1344","","","","","","1.058","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208168","31.9337","0.0015","7.3362","0.0003","22.4953","0.0011","90","","95.275","0.002","90","","5247.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H25 F18 Mn2 O12 -","- C51 H25 F18 Mn2 O12 -","- C204 H100 F72 Mn8 O48 -","4","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","1.54178","CuKα","","0.0526","0.0399","","","0.1108","0.1169","","","","","","1.145","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208169","13.444","0.001","11.48","0.001","12.434","0.001","90","","113.736","0.001","90","","1756.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrofurantoin:citric acid cocrystal","Nitrofurantoin:citric acid cocrystal","","- C14 H14 N4 O12 -","- C14 H14 N4 O12 -","- C56 H56 N16 O48 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","0.71073","MoKα","","0.0936","0.0482","","","0.1063","0.1268","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208170","7.212","0.0006","27.7094","0.0017","12.0909","0.0009","90","","91.789","0.008","90","","2415.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O11 -","- C24 H22 N4 O11 -","- C96 H88 N16 O44 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","1.54178","CuKα","","0.1111","0.0891","","","0.2177","0.2326","","","","","","1.016","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208171","12.228","0.002","13.654","0.003","16.958","0.003","77.04","0.01","71.34","0.01","87.9","0.01","2612.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H42 Co2 N6 O8 -","- C60 H42 Co2 N6 O8 -","- C120 H84 Co4 N12 O16 -","2","1","","Saha, Rajat; Kumar, Sanjay","{[Co2(ndc)2(bpee)2](bpee)}: a 3D multifunctional MOF","CrystEngComm","2012","14","15","4980","","10.1039/c2ce25092f","","","0.71073","MoKα","","0.1045","0.049","","","0.1171","0.1348","","","","","","0.811","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208172","3.7849","0.0001","7.6754","0.0003","18.1962","0.0006","90","","94.825","0.002","90","","526.74","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((4-(hydrazinylcarbonyl)pyridinium)?(but-2-yn-1-olate)","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C20 H22 N6 O6 -","2","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.0335","0.0316","","","0.0904","0.093","","","","","","0.964","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208173","6.8587","0.0007","13.6008","0.0015","31.175","0.003","90","","90","","90","","2908.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-(diazan-2-ium-1-ylcarbonyl)pyridinium)?(but-2-yn-1-olate)2","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.1283","0.0641","","","0.1467","0.1724","","","","","","0.989","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208174","10.3415","0.0009","10.7795","0.001","12.8133","0.0012","90","","110.643","0.002","90","","1336.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu N3 S2 -","- C13 H11 Cu N3 S2 -","- C52 H44 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0482","0.0408","","","0.0988","0.1029","","","","","","1.088","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208175","19.58","0.002","7.2751","0.0005","19.7325","0.0017","90","","111.773","0.011","90","","2610.3","0.4","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu2 N6 S4 -","- C25 H20 Cu2 N6 S4 -","- C100 H80 Cu8 N24 S16 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0533","0.042","","","0.1027","0.1099","","","","","","1.036","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208176","9.8393","0.0004","14.0296","0.0004","17.5897","0.0006","90","","100.459","0.003","90","","2387.76","0.15","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu I3 N2 -","- C22 H22 Cu I3 N2 -","- C88 H88 Cu4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.082","0.0465","","","0.0963","0.1115","","","","","","1.037","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208177","11.1086","0.0004","14.0384","0.0005","16.2597","0.0005","90","","97.968","0.003","90","","2511.17","0.15","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Ag I3 N2 -","- C23 H24 Ag I3 N2 -","- C92 H96 Ag4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0502","0.0334","","","0.0576","0.063","","","","","","1.055","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208178","12.219","0.005","17.56","0.003","12.807","0.003","90","","105.75","0.03","90","","2644.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 Br4 K0 N2 S0 -","- C24 H24 Ag2 Br4 N2 -","- C96 H96 Ag8 Br16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0729","0.0445","","","0.1017","0.1165","","","","","","0.925","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208179","19.2749","0.0009","13.4627","0.0003","13.9207","0.0007","90","","127.679","0.007","90","","2859","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 I4 N2 -","- C24 H26 Ag2 I4 N2 -","- C96 H104 Ag8 I16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0407","0.0323","","","0.0675","0.0715","","","","","","1.068","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208180","8.1247","0.0007","9.132","0.0008","10.6624","0.001","101.94","0.008","94.339","0.008","107.73","0.008","729.01","0.12","290.65","","290.65","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Cu N3 S2 -","- C14 H13 Cu N3 S2 -","- C28 H26 Cu2 N6 S4 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.1022","0.0794","","","0.188","0.2099","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208181","11.2795","0.0006","11.5483","0.0005","14.8788","0.0007","102.264","0.004","103.873","0.004","113.119","0.004","1625.26","0.17","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cu2 I4 N3 O -","- C27 H33 Cu2 I4 N3 O -","- C54 H66 Cu4 I8 N6 O2 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0579","0.0383","","","0.0737","0.0814","","","","","","1.014","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208182","11.1577","0.0017","13.17","0.002","17.106","0.003","70.799","0.003","77.497","0.003","72.017","0.003","2239.3","0.6","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","1","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MOKα","","0.0981","0.0784","","","0.1935","0.2053","","","","","","1.094","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208183","10.8645","0.0006","17.4604","0.0006","7.1481","0.0004","90","","99.857","0.005","90","","1335.97","0.12","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu N3 S2 -","- C12 H9 Cu N3 S2 -","- C48 H36 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0437","0.034","","","0.0887","0.0958","","","","","","1.045","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208184","9.253","0.003","14.658","0.004","16.195","0.005","90","","90","","90","","2196.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Br2 N4 O2 -","- C16 H32 Br2 N4 O2 -","- C64 H128 Br8 N16 O8 -","4","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0263","0.0204","","","0.0481","0.0502","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208185","7.3281","0.0007","12.81","0.0012","11.3249","0.001","90","","95.503","0.002","90","","1058.2","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br2 N4 -","- C18 H32 Br2 N4 -","- C36 H64 Br4 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0346","0.029","","","0.0695","0.0717","","","","","","1.06","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208186","6.1057","0.0005","14.4418","0.0013","13.3895","0.0012","90","","96.981","0.002","90","","1171.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B2 F8 N4 -","- C18 H32 B2 F8 N4 -","- C36 H64 B4 F16 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0987","0.0861","","","0.255","0.271","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208187","8.402","0.002","8.826","0.002","23.752","0.005","79.88","0.002","86.97","0.002","63.148","0.002","1546.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.4 H45.6 Br2 N4 -","- C20 H36 Br2 N4 -","- C40 H72 Br4 N8 -","2","1","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0716","0.0418","","","0.1","0.107","","","","","","0.86","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208188","5.1006","0.0007","6.1168","0.0008","6.9894","0.001","85.396","0.011","82.199","0.012","85.176","0.011","214.76","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","Fumaric acid:Pyrazine cocrystal","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","0.7107","MoKα","","0.088","0.0591","","","0.1271","0.1521","","","","","","1.068","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208189","6.9344","0.00024","13.59704","0.00073","14.51054","0.00072","90","","122.209","0.0029","90","","1157.62","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazine:phtalic acid cocrystal","pyrazine:phthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.034","1.064","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208190","8.5311","0.0004","5.1286","0.0002","10.2947","0.0005","90","","103.012","0.005","90","","438.85","0.04","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","1.5418","CuKα","","0.0529","0.0509","","","0.1348","0.1368","","","","","","1.044","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208191","3.81056","0.0001","7.07204","0.00032","11.50344","0.00044","94.9505","0.0015","93.5324","0.002","115.275","0.0018","277.604","0.019","295","","295","","","","","","","","","4","P -1","-P 1","2","pyrazine:terephthalic acid cocrystal","pyrazine:terephthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.016","2.445","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208192","8.6405","0.0012","16.365","0.003","26.485","0.004","90","","90","","90","","3745","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Pr S4 Sb -","- C8 H17 N6 Pr S4 Sb -","- C64 H136 N48 Pr8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0458","0.0432","","","0.0982","0.0989","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208193","8.6296","0.0013","16.264","0.003","26.393","0.004","90","","90","","90","","3704.3","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Nd S4 Sb -","- C8 H17 N6 Nd S4 Sb -","- C64 H136 N48 Nd8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0419","0.0323","","","0.0706","0.0818","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208194","8.6501","0.0005","16.2077","0.0009","26.3582","0.0017","90","","90","","90","","3695.4","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 S4 Sb Sm -","- C8 H17 N6 S4 Sb Sm -","- C64 H136 N48 S32 Sb8 Sm8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0592","0.0494","","","0.1036","0.1079","","","","","","1.155","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208195","15.868","0.005","9.12","0.003","13.562","0.004","90","","108.982","0.007","90","","1855.9","1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Eu N6 S4 Sb -","- C8 H26 Eu N6 S4 Sb -","- C32 H104 Eu4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0412","0.0326","","","0.0676","0.0699","","","","","","1.119","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208196","15.82","0.003","9.1718","0.0014","13.531","0.002","90","","108.997","0.004","90","","1856.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Dy N6 S4 Sb -","- C8 H26 Dy N6 S4 Sb -","- C32 H104 Dy4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.7107","MoKα","","0.0259","0.0248","","","0.0617","0.0627","","","","","","1.111","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208197","16.5428","0.0003","25.8974","0.0004","22.5225","0.0004","90","","98.881","0.001","90","","9533.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(en)(tren)]4Sb14S25","","","- C32 H104 N24 Ni4 S25 Sb14 -","- C32 H104 N24 Ni4 S25 Sb14 -","- C128 H416 N96 Ni16 S100 Sb56 -","4","1","","Seidlhofer, Beatrix; Näther, Christian; Bensch, Wolfgang","Using a Ni2+ complex as a structure-directing molecule: solvothermal synthesis and properties of [Ni(en)(tren)]4Sb14S25 featuring an unprecedented three-dimensional network architecture","CrystEngComm","2012","14","17","5441","","10.1039/c2ce25141h","","","0.71073","MoKα","","0.0469","0.0357","","","0.0763","0.08","","","","","","1.05","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208198","13.576","0.003","17.145","0.003","18.09","0.004","86.72","0.03","79.1","0.03","77.04","0.03","4028.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(bpy)0.5(Dy3(ip)4(phen)4(H2O))2H2O","","","- C85 H58 Dy3 N9 O19 -","- C85 H58 Dy3 N9 O19 -","- C170 H116 Dy6 N18 O38 -","2","1","","Cai, Bowei; Ren, Yanwei; Jiang, Huanfeng; Zheng, De; Shi, Dabin; Qian, Yuying; Chen, Jun","A mixed-valence lanthanide metal‒organic framework, templated by 2,2′-bipyridine formed in situ reaction: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","16","5285","","10.1039/c2ce25160d","","","0.71073","MoKα","","0.0842","0.0803","","","0.1323","0.135","","","","","","1.078","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208199","20.6365","0.0004","18.1133","0.0004","12.6984","0.0002","90","","90","","90","","4746.6","0.16","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C42 H37 B Cd3 F5 N7 O8 -","- C42 H37 B Cd3 F5 N7 O8 -","- C168 H148 B4 Cd12 F20 N28 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0348","0.0331","","","0.0874","0.0882","","","","","","1.072","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208200","22.028","0.006","12.607","0.003","23.179","0.006","90","","103.76","0.005","90","","6252","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B2 Cd3 F9 N11 O8 -","- C60 H54 B2 Cd3 F9 N11 O8 -","- C240 H216 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0291","0.0269","","","0.0683","0.0703","","","","","","1.045","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208201","21.892","0.01","12.609","0.005","23.263","0.01","90","","102.894","0.007","90","","6260","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 B2 Cd3 F9 N11 O8 -","- C58 H48 B2 Cd3 F9 N11 O8 -","- C232 H192 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0671","0.0504","","","0.0987","0.109","","","","","","1.095","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208202","7.879","0.014","13.43","0.02","20.78","0.04","75.33","0.03","83.25","0.02","87.71","0.03","2112","6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ba O25 S2 -","- C34 H44 Ba O25 S2 -","- C68 H88 Ba2 O50 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1197","0.0698","","","0.1544","0.1815","","","","","","1.037","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208203","6.9077","0.0019","39.21","0.011","13.137","0.004","90","","95.785","0.004","90","","3540","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Ba O22 S2 -","- C30 H34 Ba O22 S2 -","- C120 H136 Ba4 O88 S8 -","4","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1","0.0511","","","0.0853","0.0969","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208204","7.752","0.007","9.78","0.008","15.148","0.013","77.246","0.013","84.484","0.014","70.415","0.012","1055","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","1","0.5","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.0684","0.0506","","","0.1084","0.115","","","","","","0.956","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208205","7.237","0.001","8.322","0.001","37.233","0.007","93.16","0.01","93.7","0.01","90.82","0.01","2234","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Ba O28 S2 -","- C34 H46 Ba O28 S2 -","- C68 H92 Ba2 O56 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.07","0.044","","","0.1019","0.1151","","","","","","1.048","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208206","13.302","0.003","7.5138","0.0015","16.637","0.003","90","","103.61","0.03","90","","1616.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N8 Ni -","- C14 H18 N8 Ni -","- C56 H72 N32 Ni4 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.0907","0.0413","","","0.1006","0.1125","","","","","","0.96","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208207","11.559","0.002","14.136","0.003","16.174","0.003","90","","98.08","0.03","90","","2616.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Co1.5 N12 -","- C21 H27 Co1.5 N12 -","- C84 H108 Co6 N48 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.061","0.0474","","","0.122","0.1308","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208208","14.4403","0.0004","27.2329","0.0006","9.8291","0.0003","90","","90","","90","","3865.31","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H30 Cd4 O17 -","- C42 H30.002 Cd4.0004 O17.002 -","- C168 H120.008 Cd16.0016 O68.008 -","4","0.5","","Fang, Shao-Ming; Chen, Min; Yang, Xiao-Gang; Wang, Cong; Du, Miao; Liu, Chun-Sen","An unusual (4,10)-connected 3-D metal‒organic framework based on non-planar tricarboxyl tecton and tetracadmium(ii) secondary building units","CrystEngComm","2012","14","16","5299","","10.1039/c2ce25194a","","","1.54178","CuKα","","0.0706","0.063","","","0.1528","0.1578","","","","","","1.109","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208209","11.134","0.002","16.751","0.003","9.859","0.002","90","","106.73","0.03","90","","1760.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Ag N2 O6 -","- C15 H24 Ag N2 O6 -","- C60 H96 Ag4 N8 O24 -","4","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.0339","0.0271","","","0.082","0.0941","","","","","","1.127","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208210","8.9962","0.0018","25.246","0.005","35.1","0.007","90","","90","","90","","7972","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H56 Ag2 N4 O14 -","- C32 H56 Ag2 N4 O14 -","- C256 H448 Ag16 N32 O112 -","8","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.1137","0.0701","","","0.1878","0.2159","","","","","","1.036","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208211","14.5232","0.0006","21.131","0.0009","16.0399","0.0007","90","","103.615","0.002","90","","4784.2","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 Cd N4 O6 -","- C30 H26 Cd N4 O6 -","- C120 H104 Cd4 N16 O24 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0965","0.0493","","","0.1038","0.1112","","","","","","1.031","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208212","10.7477","0.0002","36.4644","0.0007","15.9903","0.0003","90","","93.996","0.001","90","","6251.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Cd2 N10 O16 -","- C62 H53 Cd2 N10 O16 -","- C248 H212 Cd8 N40 O64 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.102","0.0641","","","0.1387","0.1542","","","","","","1.057","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208213","12.23","0.002","14.6964","0.0015","18.117","0.003","90","","94.946","0.014","90","","3244.2","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.1088","0.0489","","","0.1006","0.1204","","","","","","1.001","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208214","7.9666","0.0002","13.4111","0.0004","14.7643","0.0004","78.541","0.001","82.979","0.001","89.223","0.001","1534.3","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cd N4 O9.5 S -","- C30 H28 Cd N4 O9.5 S -","- C60 H56 Cd2 N8 O19 S2 -","2","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0399","0.0338","","","0.083","0.088","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208215","11.299","0.0001","15.7788","0.0002","16.5709","0.0002","90","","109.139","0.001","90","","2791.04","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N4 O9 -","- C28 H30 Cd N4 O9 -","- C112 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0486","0.031","","","0.0678","0.0748","","","","","","1.02","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208216","16.6358","0.0013","14.0938","0.0011","19.7424","0.0017","90","","101.88","0.003","90","","4529.7","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Sm2 -","- C84 H92 N14 O28 Sm2 -","- C168 H184 N28 O56 Sm4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0505","0.0352","","","0.0777","0.0852","","","","","","1.027","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208217","16.6144","0.0003","14.0677","0.0002","19.7534","0.0003","90","","102.096","0.001","90","","4514.39","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Eu2 N14 O28 -","- C84 H92 Eu2 N14 O28 -","- C168 H184 Eu4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0798","0.0417","","","0.0759","0.0881","","","","","","1.028","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208218","16.5638","0.0002","14.0683","0.0002","19.7449","0.0003","90","","102.227","0.001","90","","4496.68","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Tb2 -","- C84 H92 N14 O28 Tb2 -","- C168 H184 N28 O56 Tb4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0638","0.0374","","","0.0724","0.0821","","","","","","1.062","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208219","16.5259","0.0005","14.0911","0.0004","19.6787","0.0006","90","","102.043","0.001","90","","4481.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Dy2 N14 O28 -","- C84 H92 Dy2 N14 O28 -","- C168 H184 Dy4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0465","0.0319","","","0.0666","0.0739","","","","","","1","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208220","16.7358","0.0003","14.0425","0.0003","19.7825","0.0004","90","","101.823","0.001","90","","4550.5","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Pr2 -","- C84 H92 N14 O28 Pr2 -","- C168 H184 N28 O56 Pr4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0469","0.0335","","","0.0799","0.0882","","","","","","1.022","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208221","13.6963","0.0009","15.9834","0.0014","17.5498","0.0012","96.547","0.002","109.724","0.001","114.266","0.001","3150.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 Nd O26 -","- C59 H51 N12 Nd O26 -","- C118 H102 N24 Nd2 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.1047","0.058","","","0.1147","0.1397","","","","","","1.011","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208222","13.6916","0.0011","15.905","0.0012","17.5187","0.0013","96.56","0.001","109.334","0.001","114.127","0.001","3144.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Eu N12 O26 -","- C59 H51 Eu N12 O26 -","- C118 H102 Eu2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0776","0.0498","","","0.1025","0.1184","","","","","","1.026","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208223","13.6842","0.0015","15.8378","0.0017","17.499","0.0018","96.651","0.002","109.062","0.002","114.164","0.002","3130.6","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 O26 Tb -","- C59 H51 N12 O26 Tb -","- C118 H102 N24 O52 Tb2 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0879","0.0562","","","0.1247","0.1463","","","","","","1.006","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208224","13.7022","0.001","15.7923","0.0011","17.4802","0.0012","96.643","0.001","108.935","0.001","114.149","0.001","3126.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Er N12 O26 -","- C59 H51 Er N12 O26 -","- C118 H102 Er2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0643","0.0449","","","0.063","0.0676","","","","","","1.197","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208225","3.9099","0.0001","20.2636","0.0003","15.3093","0.0003","90","","91.346","0.001","90","","1212.6","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+4,4'-bipyridine","","- C30 H20 N2 O8 -","- C30 H20 N2 O8 -","- C60 H40 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.1073","0.0565","","","0.1405","0.1641","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208226","16.3933","0.0006","4.8921","0.0002","16.5326","0.0008","90","","103.209","0.002","90","","1290.8","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethane","","- C32 H24 N2 O8 -","- C32 H24 N2 O8 -","- C64 H48 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0787","0.0445","","","0.1022","0.1095","","","","","","0.893","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208227","16.2227","0.0004","5.0257","0.0001","16.315","0.0005","90","","100.918","0.001","90","","1306.09","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethene","","- C32 H22 N2 O8 -","- C32 H22 N2 O8 -","- C64 H44 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.054","0.0413","","","0.1003","0.1089","","","","","","1.042","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208228","13.8797","0.0002","12.9776","0.0005","7.3847","0.0006","90","","90.383","0.002","90","","1330.14","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+pyridine-2,6-diamine","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0549","0.0343","","","0.0696","0.0726","","","","","","0.981","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208229","8.893","0.002","9.167","0.002","11.326","0.003","101.69","0.02","112.91","0.02","99.21","0.02","803.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 N3 O7 Zn2 -","- C17 H11 N3 O7 Zn2 -","- C34 H22 N6 O14 Zn4 -","2","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0383","0.031","","","0.0731","0.0754","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208230","22.2357","0.0003","22.2357","0.0003","33.9623","0.0005","90","","90","","90","","16791.9","0.4","293","2","293","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C19 H18 Cl0.5 Co1.5 N6 O3.5 -","- C19 H16.5 Cl0.5 Co1.5 N6 O3.5 -","- C304 H264 Cl8 Co24 N96 O56 -","16","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0723","0.0649","","","0.1844","0.193","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208231","7.094","0.005","7.094","0.005","16.721","0.015","90","","90","","120","","728.7","1","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba2 Mg O12 -","- B6 Ba2 Mg O12 -","- B18 Ba6 Mg3 O36 -","3","0.166667","","Li, R. K.; Ma, Yingying","Chemical engineering of a birefringent crystal transparent in the deep UV range","CrystEngComm","2012","14","17","5421","","10.1039/c2ce25240f","","","0.71075","MoKα","","0.0321","0.0278","","","0.0595","0.0686","","","","","","1.073","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208232","9.0076","0.0014","9.0531","0.0014","10.02","0.003","101.061","0.003","109.377","0.003","109.873","0.002","680.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Fe1.5 N O10 P2 -","- C8 H11 Fe1.5 N O10 P2 -","- C16 H22 Fe3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0806","0.0506","","","0.1023","0.1192","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208233","8.9878","0.0013","8.9936","0.0013","9.906","0.002","100.295","0.003","109.135","0.002","110.215","0.002","670.28","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Co1.5 N O10 P2 -","- C8 H11 Co1.5 N O10 P2 -","- C16 H22 Co3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0524","0.0394","","","0.0907","0.099","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208234","8.9851","0.0011","9.067","0.0011","9.88","0.002","100.371","0.002","108.901","0.002","110.549","0.002","672.71","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 N O10 P2 Zn1.5 -","- C8 H11 N O10 P2 Zn1.5 -","- C16 H22 N2 O20 P4 Zn3 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0519","0.0417","","","0.1144","0.1212","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208235","8.689","0.003","9.088","0.003","9.476","0.005","109.937","0.005","100.801","0.005","110.262","0.004","619","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H9 Cu1.5 N O9 P2 -","- C8 H9 Cu1.5 N O9 P2 -","- C16 H18 Cu3 N2 O18 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0868","0.0568","","","0.1238","0.1423","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208236","8.915","0.0005","18.9641","0.0014","9.7505","0.0005","90","","112.112","0.006","90","","1527.22","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 Cu2 N8 O10 -","- C22 H34 Cl2 Cu2 N8 O10 -","- C44 H68 Cl4 Cu4 N16 O20 -","2","0.5","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.03","0.0238","","","0.0603","0.0633","","","","","","0.971","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208237","10.5249","0.0011","11.8458","0.0013","14.1564","0.0015","92.248","0.004","96.654","0.003","94.316","0.003","1746.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Cl2 Cu2 N14 O9 -","- C21 H32 Cl2 Cu2 N14 O9 -","- C42 H64 Cl4 Cu4 N28 O18 -","2","1","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.0755","0.0428","","","0.0843","0.0976","","","","","","1.038","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208238","15.74","0.0004","15.1252","0.0004","10.9849","0.0003","90","","94.104","0.001","90","","2608.48","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","2-((1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'- dimethyl -16'-oxo-5',7'-dioxaspiro(cyclopentane-1,6'-pentacyclo (10.8.0.02,9.04,8.013,18)icosane)-14',17'-dien-8'-yl)-2-oxoethyl acetate","2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl -16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo [10.8.0.02,9.04,8.013,18]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Pagola, Silvina; Stephens, Peter W.","Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide","CrystEngComm","2012","14","16","5349","","10.1039/c2ce25274k","powder diffraction","","0.69733","synchrotron","","","","","","","","","0.0611","1.46","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208239","10.6908","0.0003","10.6908","0.0003","92.65","0.002","90","","90","","120","","9170.6","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H56 Cd Cl2 N18 O12 -","- C54 H48 Cd Cl2 N18 O12 -","- C324 H288 Cd6 Cl12 N108 O72 -","6","0.166667","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0562","0.0491","","","0.1529","0.161","","","","","","1.103","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208240","15.2257","0.0004","9.4717","0.0003","21.6848","0.0008","90","","124.913","0.002","90","","2564.4","0.15","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H23.5 Cd N6 O6 -","- C26 H24 Cd N6 O6 -","- C104 H96 Cd4 N24 O24 -","4","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0391","0.0324","","","0.0781","0.083","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208241","6.3752","0.0013","7.1912","0.0014","8.2477","0.0016","73.61","0.03","68.38","0.03","66.73","0.03","318.76","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Li O6 S -","- C3 H6 Li O6 S -","- C6 H12 Li2 O12 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0464","0.0306","","","0.0697","0.0927","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208242","4.8192","0.001","7.1534","0.0014","8.3947","0.0017","92.21","0.03","93.66","0.03","101.87","0.03","282.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Li O5 S -","- C3 H4 Li O5 S -","- C6 H8 Li2 O10 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0507","0.0451","","","0.1095","0.1252","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208243","36.593","0.007","12.589","0.003","10.619","0.002","90","","90","","90","","4891.8","1.8","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H38 Li12 O49 S6 -","- C18 H38 Li12 O49 S6 -","- C72 H152 Li48 O196 S24 -","4","0.5","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0558","0.0496","","","0.1239","0.129","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208244","18.13","0.004","9.0962","0.0018","13.786","0.003","90","","90","","90","","2273.5","0.8","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C6 H8 Li N O8 S2 -","- C6 H8 Li N O8 S2 -","- C48 H64 Li8 N8 O64 S16 -","8","","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0324","0.0309","","","0.0911","0.0922","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208245","7.7858","0.0016","8.8783","0.0018","9.1955","0.0018","83","0.03","66.68","0.03","75.45","0.03","564.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Li2 O10 S2 -","- C6 H8 Li2 O10 S2 -","- C12 H16 Li4 O20 S4 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0373","0.0295","","","0.078","0.1018","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208246","13.552","0.003","15.623","0.003","7.5203","0.0015","90","","90","","90","","1592.2","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H7 Li2 O7 S -","- C3 H7 Li2 O7 S -","- C24 H56 Li16 O56 S8 -","8","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0363","0.0328","","","0.0902","0.0951","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208247","12.7186","0.0018","12.7186","0.0018","14.914","0.003","90","","90","","120","","2089.3","0.6","153","","153","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K6 Li3 O30 Sc2 -","- B15 K6 Li2.996 O30 Sc2 -","- B45 K18 Li8.988 O90 Sc6 -","3","0.166667","","Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng","K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge","CrystEngComm","2012","14","16","5209","","10.1039/c2ce25304f","","","0.71073","MoKα","","0.0663","0.0607","","","0.0925","0.0946","","","","","","1.399","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208248","10.5079","0.0009","12.9602","0.0011","13.1352","0.0011","93.012","0.006","111.868","0.005","112.108","0.005","1498.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N3 O3 -","- C14 H23 N3 O3 -","- C56 H92 N12 O12 -","4","2","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0942","0.0536","","","0.1378","0.1684","","","","","","1.099","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208249","9.3456","0.001","15.431","0.0017","16.3804","0.0018","86.584","0.003","73.955","0.003","84.942","0.003","2259.9","0.4","227","2","227","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H64 N8 O12 -","- C43 H64 N8 O12 -","- C86 H128 N16 O24 -","2","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0945","0.1074","","","","","","0.939","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208250","12.226","0.002","11.891","0.002","13.689","0.002","90","","90","","90","","1990.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Paracetamol_morpholine","","","- C10 H13.5 N1.5 O2.5 -","- C10 H13.5 N O3 -","- C80 H108 N8 O24 -","8","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0526","0.0459","","","0.1476","0.1524","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208251","17.236","0.002","6.6721","0.0008","12.6429","0.0015","90","","104.02","0.002","90","","1410.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O5 Sr -","- C15 H10 N2 O5 Sr -","- C60 H40 N8 O20 Sr4 -","4","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0765","0.0437","","","0.0827","0.0896","","","","","","1.07","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208252","22.658","0.003","22.658","0.003","14.766","0.004","90","","90","","90","","7581","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H14 Cd N2 O5 -","- C17 H14 Cd N2 O5 -","- C272 H224 Cd16 N32 O80 -","16","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0974","0.0694","","","0.2166","0.2419","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208253","3.7935","0.0002","27.8954","0.0016","7.0172","0.0004","90","","94.891","0.003","90","","739.86","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-methoxysalicylic acid","'3-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0532","0.042","","","0.1122","0.1187","","","","","","1.083","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208254","17.9971","0.0003","14.3789","0.0002","6.7337","0.0001","90","","91.121","0.001","90","","1742.2","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxysalicylic acid monohydrate","3-methoxy-2-hydroxobenzoic acid monohydrate","","- C8 H10 O5 -","- C8 H10 O5 -","- C64 H80 O40 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0435","0.0368","","","0.0912","0.0959","","","","","","1.062","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208255","3.5943","0.0002","21.115","0.002","10.7227","0.001","90","","98.95","0.006","90","","803.88","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitro-2-hydroxybenzoic acid","3-nitro-2-hydroxybenzoic acid","","- C7 H7 N O6 -","- C7 H5 N O6 -","- C28 H20 N4 O24 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1163","0.0669","","","0.137","0.1548","","","","","","1.068","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208256","13.5482","0.0008","5.0245","0.0003","12.9394","0.0006","90","","90","","90","","880.82","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-actyamino-2-hydroxobenzoic acid","4-actyamino-2-hydroxobenzoic acid","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0415","0.0368","","","0.0913","0.0948","","","","","","1.055","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208257","7.1371","0.0003","3.7278","0.0002","24.4465","0.0012","90","","94.386","0.002","90","","648.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-amino-2-hydroxobenzoic acid","4-amino-2-hydroxobenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.056","0.0458","","","0.1123","0.1221","","","","","","1.053","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208258","3.7241","0.0002","14.4178","0.0008","12.9156","0.0006","90","","97.933","0.003","90","","686.85","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chlorosalicylic acid","4-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C28 H20 Cl4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0638","0.0488","","","0.0944","0.1033","","","","","","1.098","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208259","4.9629","0.0002","11.0915","0.0008","13.6559","0.0009","90","","98.788","0.004","90","","742.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-methoxy-2-hydroxobenzoic acid","4-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.064","0.0481","","","0.1178","0.1274","","","","","","1.098","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208260","3.8685","0.0003","7.238","0.0009","13.2142","0.0015","100.756","0.005","93.271","0.007","90.788","0.007","362.8","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","4-methylsalicylic acid","4-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C16 H16 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1054","0.0653","","","0.1704","0.1947","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208261","3.7472","0.0004","11.5109","0.0017","21.979","0.003","90","","90","","90","","948","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-acetylamino-2-hydroxobenzoic acid monohydrate","5-acetylamino-2-hydroxobenzoic acid monohydrate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1151","0.0804","","","0.1573","0.1788","","","","","","1.082","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208262","3.7239","0.0002","7.3696","0.0004","23.3107","0.0011","90","","91.806","0.003","90","","639.41","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-aminosalicylic_acid","5-amino-2-hydroxobenzoic acid monohydrate","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.068","0.046","","","0.1159","0.127","","","","","","1.04","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208263","4.8514","0.0001","11.6936","0.0003","14.4341","0.0003","109.991","0.001","98.066","0.002","101.168","0.001","735.75","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid alpha","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0247","0.0212","","","0.049","0.0509","","","","","","1.074","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208264","6.9625","0.0002","7.1714","0.0003","8.016","0.0003","82.112","0.002","73.835","0.002","71.272","0.002","363.56","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid beta","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0298","0.025","","","0.0532","0.0584","","","","","","1.192","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208265","38.4671","0.0015","4.5765","0.0002","19.93","0.0007","90","","118.789","0.002","90","","3074.9","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-iodosalicylic_acid","5-iodo-2-hydroxobenzoic acid","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C112 H80 I16 O48 -","16","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0493","0.034","","","0.0695","0.0812","","","","","","1.08","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208266","4.8289","0.0001","12.1776","0.0003","14.6529","0.0004","109.752","0.001","97.974","0.002","100.626","0.002","778","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0308","0.0259","","","0.0578","0.0602","","","","","","1.109","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208267","3.9784","0.0001","16.1049","0.0004","11.5198","0.0003","90","","90.261","0.002","90","","738.09","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxysalicylic acid","5-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0405","0.0375","","","0.0985","0.1017","","","","","","1.051","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208268","7.281","0.0003","5.0146","0.0002","20.2789","0.0007","90","","95.498","0.002","90","","737","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-methyl-2-hydroxobenzoic acid","5-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0672","0.0534","","","0.1203","0.1307","","","","","","1.094","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208269","5.1246","0.0005","8.7762","0.0008","9.2674","0.0009","62.252","0.006","75.292","0.006","82.654","0.007","356.76","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-nitrosalicylic acid monohydrate","5-nitro-2-hydroxobenzoic acid monohydrate","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C14 H10 N2 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0734","0.0474","","","0.1115","0.1278","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208270","23.3708","0.001","3.7089","0.0001","16.5722","0.0007","90","","104.853","0.002","90","","1388.48","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chlorosalicylic acid","5-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C56 H40 Cl8 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0829","0.0489","","","0.1034","0.1206","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208271","3.7289","0.0001","8.243","0.0004","13.0565","0.0007","80.768","0.002","87.719","0.003","83.755","0.003","393.67","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-chloro-2-hydroxobenzoic acid monohydrate","5-chloro-2-hydroxobenzoic acid monohydrate","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C14 H14 Cl2 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0342","0.0304","","","0.075","0.0776","","","","","","1.076","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208272","5.3146","0.0002","5.2118","0.0002","22.5378","0.001","90","","91.907","0.003","90","","623.92","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-fluorosalicylic acid","6-fluoro-2-hydroxobenzoic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C28 H20 F4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0581","0.0484","","","0.1213","0.1276","","","","","","1.087","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208273","6.6697","0.0002","9.3476","0.0004","12.2016","0.0005","90","","104.305","0.002","90","","737.13","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-methoxysalicylic acid","6-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0599","0.0514","","","0.1418","0.1491","","","","","","1.132","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208274","4.8894","0.0003","11.2411","0.0013","11.3347","0.0013","90","","91.919","0.007","90","","622.63","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","salicylic acid","2-hydroxobenzoic acid","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1041","0.0656","","","0.108","0.1251","","","","","","1.105","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208275","6.1364","0.0011","9.5989","0.0017","11.437","0.002","70.149","0.002","86.359","0.003","82.98","0.003","628.72","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0444","0.038","","","0.0925","0.0981","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208276","6.1901","0.0016","9.381","0.003","12.462","0.003","104.29","0.004","90.952","0.004","97.561","0.004","694.3","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0456","0.0364","","","0.0872","0.0934","","","","","","1.058","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208277","6.1559","0.0005","12.1831","0.0011","18.1485","0.0015","90","","99.044","0.001","90","","1344.2","0.2","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 F8 I4 -","- C24 H10 F8 I4 -","- C48 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0524","0.0404","","","0.093","0.1","","","","","","1.035","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208278","12.935","0.005","14.708","0.005","15.359","0.005","90","","90","","90","","2922","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H21 N4 O12 Zn2 -","- C84 H84 N16 O48 Zn8 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0468","0.0383","","","0.0995","0.1063","","","","","","0.931","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208279","20.573","0.005","20.573","0.005","20.573","0.005","90","","90","","90","","8707","4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C108 H135 N13 O57 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.1762","0.1016","","","0.2972","0.3583","","","","","","1.091","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208280","20.6155","0.0007","20.6155","0.0007","20.6155","0.0007","90","","90","","90","","8761.6","0.5","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C110 H138 N12 O56 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71073","MoKα","","0.1019","0.0764","","","0.2512","0.2702","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208281","9.32","0.005","16.107","0.005","12.608","0.005","90","","100.942","0.005","90","","1858.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O7 Zn -","- C15 H11 N2 O7 Zn -","- C60 H44 N8 O28 Zn4 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0874","0.0486","","","0.1101","0.1269","","","","","","0.973","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208282","43.648","0.005","43.648","0.005","17.371","0.005","90","","90","","120","","28661","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49 H69 N7 O22 Zn3 -","- C27 H9 O18 Zn3 -","- C486 H162 O324 Zn54 -","18","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0933","0.0604","","","0.1923","0.2218","","","","","","1.064","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208283","23.461","0.005","23.461","0.005","23.461","0.005","90","","90","","90","","12913","5","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C118 H189 N17 O53 Zn9 -","- C54 H18 N2 O41 Zn9 -","- C216 H72 N8 O164 Zn36 -","4","0.166667","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0551","0.0398","","","0.0785","0.0817","","","","","","0.945","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208284","17.441","0.005","35.188","0.005","17.398","0.005","90","","90","","90","","10677","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C85 H107 N7 O42 Zn9 -","- C55 H39 N2 O38.3 Zn9 -","- C220 H156 N8 O153.2 Zn36 -","4","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.082","0.0541","","","0.1557","0.1672","","","","","","0.951","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208285","11.235","0.002","18.637","0.003","18.65","0.003","109.493","0.003","104.117","0.002","92.378","0.002","3537.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 Hg3 I6 N8 -","- C66 H80 Hg3 I6 N8 -","- C132 H160 Hg6 I12 N16 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0504","0.0421","","","0.1388","0.1761","","","","","","1.062","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208286","15.963","0.0011","15.487","0.001","34.67","0.002","90","","99.601","0.001","90","","8451","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38.5 Br4 Hg2 N7.5 -","- C40 H38.5 Br4 Hg2 N7.5 -","- C320 H308 Br32 Hg16 N60 -","8","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0535","0.0361","","","0.0836","0.091","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208287","9.7774","0.0006","11.1171","0.0007","15.9735","0.001","102.341","0.001","91.038","0.001","108.911","0.001","1597.4","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 Cl2 N4 O2 -","- C34 H34 Ag2 Cl2 N4 O2 -","- C68 H68 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0428","0.0371","","","0.0908","0.0953","","","","","","1.032","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208288","18.8237","0.001","20.2191","0.001","12.437","0.0006","90","","103.507","0.001","90","","4602.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 N6 O3 Pd2 -","- C42 H50 Cl4 N6 O3 Pd2 -","- C168 H200 Cl16 N24 O12 Pd8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0419","0.0312","","","0.0953","0.1035","","","","","","1.048","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208289","11.3332","0.0005","13.3581","0.0006","13.9474","0.0007","67.478","0.001","76.863","0.001","71.084","0.001","1832.23","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Ag2 Cl2 N4 O2 -","- C38 H42 Ag2 Cl2 N4 O2 -","- C76 H84 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0829","0.0674","","","0.1993","0.2152","","","","","","1.069","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208290","10.8829","0.0011","19.1733","0.0018","17.7442","0.0016","90","","103.147","0.002","90","","3605.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Ag2 Cl2 N4 O2 -","- C37 H40 Ag2 Cl2 N4 O2 -","- C148 H160 Ag8 Cl8 N16 O8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0564","0.0357","","","0.0818","0.0945","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208291","10.9386","0.0005","21.6466","0.0011","16.7369","0.0007","90","","105.344","0.001","90","","3821.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 Ag2 Cl2 N4 O2 -","- C39 H44 Ag2 Cl2 N4 O2 -","- C156 H176 Ag8 Cl8 N16 O8 -","4","0.5","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0735","0.067","","","0.2216","0.2289","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208292","10.411","0.005","15.209","0.0018","14.1301","0.0016","90","","109.71","0.03","90","","2106.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Mn2 N10 Nb O6 -","- C12 H4 Mn2 N10 Nb O6 -","- C48 H16 Mn8 N40 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Kurpiewska, Katarzyna; Lewiński, Krzysztof; Bałanda, Maria; Mihalik, Marian; Zentková, Maria; Sieklucka, Barbara","High-pressure single-crystal XRD and magnetic study of a octacyanoniobate-based magnetic sponge","CrystEngComm","2012","14","16","5224","","10.1039/c2ce25387a","","","0.71073","MoKα","","0.0864","0.07","","","0.1748","0.1926","","","","","","0.882","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208293","7.9395","0.0007","15.2318","0.0008","17.7558","0.0013","90","","93.632","0.006","90","","2142.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cd N4 S2 -","- C12 H10 Cd N4 S2 -","- C72 H60 Cd6 N24 S12 -","6","0.75","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0657","0.0466","","","0.0892","0.0959","","","","","","1.128","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208294","8.7915","0.0009","8.7921","0.0007","16.1275","0.0018","92.773","0.006","95.879","0.006","114.341","0.007","1124.1","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","catena-Poly(bis(thiocyanato-kN)bis(pyridine-kN)cadmium(ii))","catena-Poly[bis(thiocyanato-kN)bis(pyridine-kN)cadmium(II)]","","- C12 H10 Cd N4 S2 -","- C12 Cd N4 S2 -","- C36 Cd3 N12 S6 -","3","1.5","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","powder diffraction","","1.54056","CuKα","","","","","","","","","2.7794","","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208295","5.9496","0.0003","12.2417","0.0008","13.8473","0.0007","90","","102.234","0.004","90","","985.64","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cd N3 S2 -","- C7 H5 Cd N3 S2 -","- C28 H20 Cd4 N12 S8 -","4","1","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0249","0.0218","","","0.0454","0.0465","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208296","17.232","0.002","17.232","0.002","16.444","0.003","90","","90","","90","","4882.9","1.2","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C72 H84 Cd3 I6 N36 -","- C72 H80 Cd3 I6 N36 -","- C144 H160 Cd6 I12 N72 -","2","0.25","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0894","0.084","","","0.22","0.2267","","","","","","1.05","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208297","12.365","0.004","17.032","0.005","24.275","0.008","89.682","0.007","89.479","0.005","88.829","0.007","5111","3","386","2","383","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H96 Cu4 I6 N42 O24 -","- C72 H89 Cu4 I6 N42 O24 -","- C144 H178 Cu8 I12 N84 O48 -","2","1","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0563","0.043","","","0.0936","0.1003","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208298","29.688","0.004","15.4772","0.0018","25.663","0.003","90","","119.778","0.001","90","","10235","2","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H101 Mo8 N16 Ni O50 P V6 -","- C68 H96 Mo8 N16 Ni O50 P V6 -","- C272 H384 Mo32 N64 Ni4 O200 P4 V24 -","4","0.5","","Fu, Jie; Sun, Haixia; Xu, Yan; Wang, Congling; Zhu, Dunru; Sun, Qi; Liu, Hongke","[Ni(C17H20N4)4][H5PMoVI8VIV4O40(VIVO)2]·8H2O: confinement of heteropoly anions in Ni-containing rigid concave surfaces with high catalytic activity in the oxidation of styrene","CrystEngComm","2012","14","16","5148","","10.1039/c2ce25419k","","","0.71073","MoKα","","0.0767","0.0474","","","0.1235","0.1346","","","","","","1.084","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208299","23.681","0.002","9.6928","0.0007","35.389","0.003","90","","92.789","0.001","90","","8113.4","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cd N2 O10.5 -","- C38 H41 Cd N2 O10.5 -","- C304 H328 Cd8 N16 O84 -","8","1","","Ma, Chunhua; Wu, Yong; Zhang, Jun; Xu, Yan; Tu, Beibei; Zhou, Yaoming; Fang, Min; Liu, Hong-Ke","A 6-fold interpenetrated ThSi2 topological metal‒organic framework from a nanosized tripodal aromatic acid","CrystEngComm","2012","14","16","5166","","10.1039/c2ce25422k","","","0.71073","MoKα","","0.1083","0.0715","","","0.1895","0.2026","","","","","","1.238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208300","12.606","0.003","12.606","0.003","19.668","0.004","90","0.015","90","0.018","120","0.019","2706.7","1.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H42 N6 Na8 Ni2 O33 -","- C30 H12 N6 Na7.98 Ni2 O33.02 -","- C60 H24 N12 Na15.96 Ni4 O66.04 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","x-ray","0.71073","MoKα","","0.1043","0.0767","","","0.1925","0.214","","","","","","1.126","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208301","12.625","0.002","12.625","0.002","19.867","0.002","90","","90","","120","","2742.4","0.7","250","2","250","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H46 Co2 N6 Na8 O35 -","- C30 H12 Co2 N6 Na7.98 O35.03 -","- C60 H24 Co4 N12 Na15.96 O70.06 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","","0.71073","MoKα","","0.1107","0.0809","","","0.239","0.2621","","","","","","1.134","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208302","19.3555","0.001","21.7874","0.0011","16.0415","0.0008","90","","92.452","0.001","90","","6758.6","0.6","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B72 H181 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","1","0.125","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0612","0.0587","","","0.1687","0.1708","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208303","19.442","0.005","21.81","0.005","16.07","0.005","90","0.005","92.496","0.005","90","0.005","6808","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H99 B36 N4 Na10 Ni2 O152 V24 -","- C4 B36 N4 Na10 Ni2 O152 V24 -","- C8 B72 N8 Na20 Ni4 O304 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0975","0.0717","","","0.2114","0.2406","","","","","","1.09","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208304","19.348","0.004","21.786","0.004","16.051","0.003","90","","91.82","0.03","90","","6762","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B36 H61 Na18 O144 V24 Zn -","- B36 Na18 O144 V24 Zn -","- B72 Na36 O288 V48 Zn2 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1333","0.0725","","","0.2139","0.2695","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208305","23.605","0.005","13.445","0.005","24.054","0.005","90","0.005","99.623","0.005","90","0.005","7527","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H79 B18 N16 O63 V12 Zn3 -","- C16 H64 B18 N16 O63 V12 Zn3 -","- C64 H256 B72 N64 O252 V48 Zn12 -","4","0.5","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1337","0.0593","","","0.149","0.1696","","","","","","1.065","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208306","13.8436","0.0005","6.4099","0.0002","20.5475","0.0008","90","","125.007","0.002","90","","1493.44","0.1","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B K5 O34 P4 Ta8 -","- B K5 O34 P4 Ta8 -","- B2 K10 O68 P8 Ta16 -","2","0.5","","Babaryk, Artem A.; Odynets, Ievgen V.; Slobodyanik, Nikolay S.; Baumer, Vyacheslav N.; Khainakov, Sergei","Structure-driven mixed-site borate‒phosphate K5Ta8BP4O34: synthesis, structural, spectroscopic and theoretical study","CrystEngComm","2012","14","15","5071","","10.1039/c2ce25451d","","","0.71073","MoKα","","0.0413","0.0282","","","0.0626","0.0666","","","","","","1.079","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208307","7.143","0.003","14.458","0.006","29.544","0.013","90","","90","","90","","3051","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl2 N6 O3 Zn -","- C32 H28 Cl2 N6 O3 Zn -","- C128 H112 Cl8 N24 O12 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0825","0.0517","","","0.1056","0.1174","","","","","","1.006","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208308","24.274","0.004","16.062","0.003","8.8413","0.0016","90","","90","","90","","3447.1","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C134 H122 Br8 N24 O11 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0656","0.0398","","","0.0923","0.1023","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208309","24.058","0.009","15.927","0.007","8.73","0.004","90","","90","","90","","3345","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27.6 Br2 N6 O2.8 Zn -","- C32 H27.6 Br2 N6 O2.8 Zn -","- C128 H110.4 Br8 N24 O11.2 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1371","0.0616","","","0.136","0.1607","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208310","25.815","0.002","8.8838","0.0008","28.137","0.003","90","","90","","90","","6452.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 I2 N6 O2 Zn -","- C32 H26 I2 N6 O2 Zn -","- C256 H208 I16 N48 O16 Zn8 -","8","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1025","0.0449","","","0.0845","0.1046","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208311","11.713","0.003","20.677","0.006","15.911","0.003","90","","125.323","0.014","90","","3144.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl2 Hg N6 O2 -","- C32 H26 Cl2 Hg N6 O2 -","- C128 H104 Cl8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.046","0.0309","","","0.0756","0.083","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208312","11.86","0.003","20.465","0.005","15.636","0.003","90","","124.868","0.012","90","","3113.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 Hg N6 O2 -","- C32 H26 Br2 Hg N6 O2 -","- C128 H104 Br8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0505","0.0297","","","0.0573","0.0639","","","","","","1.018","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208313","7.6281","0.0008","28.162","0.003","9.1674","0.0009","90","","113.643","0.001","90","","1804.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Hg I2 N3 O -","- C16 H13 Hg I2 N3 O -","- C64 H52 Hg4 I8 N12 O4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0354","0.0309","","","0.0715","0.0735","","","","","","1.069","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208314","11.3563","0.0011","13.2471","0.0015","14.6072","0.0017","96.239","0.001","101.522","0.002","91.305","0.001","2138.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd F N2 O6 -","- C21 H21 Cd F N2 O6 -","- C84 H84 Cd4 F4 N8 O24 -","4","2","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0489","0.0298","","","0.0598","0.0702","","","","","","1.031","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208315","18.3303","0.0018","10.4149","0.0011","20.581","0.002","90","","97.284","0.001","90","","3897.4","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 F2 N4 O9 -","- C42 H36 Cu2 F2 N4 O9 -","- C168 H144 Cu8 F8 N16 O36 -","4","0.5","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0639","0.0391","","","0.0735","0.0788","","","","","","1.037","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208316","11.6891","0.0008","14.1824","0.0013","12.0379","0.0008","90","","92.574","0.006","90","","1993.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Cu2 F2 N4 O10 -","- C42 H38 Cu2 F2 N4 O10 -","- C84 H76 Cu4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.1007","0.076","","","0.1962","0.2188","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208317","11.6305","0.0017","14.158","0.002","12.0363","0.0017","90","","94.73","0.003","90","","1975.2","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 F2 N4 Ni2 O10 -","- C42 H38 F2 N4 Ni2 O10 -","- C84 H76 F4 N8 Ni4 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0527","0.0433","","","0.1072","0.1128","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208318","11.553","0.0017","14.24","0.002","12.0157","0.0018","90","","95.639","0.003","90","","1967.2","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Co2 F2 N4 O10 -","- C42 H38 Co2 F2 N4 O10 -","- C84 H76 Co4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0829","0.0595","","","0.1036","0.115","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208319","9.5127","0.0019","46.843","0.009","11.521","0.002","90","","113.441","0.003","90","","4710.1","1.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N6 -","- C31 H22 N6 -","- C248 H176 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.2022","0.0623","","","0.1377","0.2197","","","","","","0.915","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208320","14.682","0.005","26.74","0.005","17.568","0.005","90","0.005","112.864","0.005","90","0.005","6355","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 N6 Zn -","- C31 H22 I2 N6 Zn -","- C248 H176 I16 N48 Zn8 -","8","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1475","0.0735","","","0.1942","0.2193","","","","","","1.02","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208321","16.459","0.0014","26.123","0.002","17.6798","0.0015","90","","115.536","0.001","90","","6859","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl3 N8 S2 Zn -","- C34 H23 Cl3 N8 S2 Zn -","- C272 H184 Cl24 N64 S16 Zn8 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.221","0.1086","","","0.3013","0.3857","","","","","","1.127","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208322","18.938","0.005","10.356","0.005","29.755","0.005","90","0.005","101.461","0.005","90","0.005","5719","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H48 Cd Cl2 N12 O9 -","- C63 H48 Cd Cl2 N12 O9 -","- C252 H192 Cd4 Cl8 N48 O36 -","4","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.0606","0.0467","","","0.1235","0.1415","","","","","","1.083","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208323","15.643","0.005","51.938","0.005","16.613","0.005","90","0.005","115.008","0.005","90","0.005","12232","6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C504 H360 Br32 Cd16 Cl24 N96 -","16","4","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1906","0.088","","","0.2143","0.2479","","","","","","1.248","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208324","18.095","0.005","18.724","0.005","20.836","0.005","109.899","0.005","102.332","0.005","107.921","0.005","5903","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Cl2 N12 O11.5 Zn -","- C62 H44 Cl2 N12 O11.5 Zn -","- C248 H176 Cl8 N48 O46 Zn4 -","4","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.1392","0.0821","","","0.2185","0.248","","","","","","1.458","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7208325","16.3236","0.0003","26.861","0.0005","15.7429","0.0003","90","","115.566","0.001","90","","6226.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H23 Cd Cl I2 N6 -","- C31.5 H23 Cd Cl I2 N6 -","- C252 H184 Cd8 Cl8 I16 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.081","0.0481","","","0.1408","0.1638","","","","","","1.032","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208326","16.0369","0.0006","24.0453","0.0009","25.0434","0.0009","90","","90.651","0.002","90","","9656.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C32 H48 Cu F12 N10 O8 S4 -","- C32 H48 Cu F12 N10 O8 S4 -","- C256 H384 Cu8 F96 N80 O64 S32 -","8","2","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0764","0.0577","","","0.1278","0.1365","","","","","","1.052","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208327","8.991","0.002","9.438","0.003","14.654","0.003","89.594","0.015","72.209","0.013","62.905","0.013","1041.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.102","0.0823","","","0.1745","0.1841","","","","","","0.99","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208328","9.1104","0.0005","9.6323","0.0005","10.659","0.0007","68.139","0.004","85.255","0.005","87.828","0.004","865.11","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0659","0.057","","","0.1458","0.152","","","","","","1.055","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208329","8.2207","0.0002","20.3211","0.0004","27.0612","0.0005","90","","92.363","0.002","90","","4516.83","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)cobalt(II) bistriflimide","hexakis(N-methylimidazole)cobalt(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Co F12 N14 O8 S4 -","- C28 H36 Co F12 N14 O8 S4 -","- C112 H144 Co4 F48 N56 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0415","0.0302","","","0.0771","0.0793","","","","","","1.066","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208330","8.2018","0.0002","20.3183","0.0005","26.938","0.0008","90","","92.341","0.003","90","","4485.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)nickel(II) bistriflimide","hexakis(N-methylimidazole)nickel(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 F12 N14 Ni O8 S4 -","- C28 H36 F12 N14 Ni O8 S4 -","- C112 H144 F48 N56 Ni4 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0593","0.0466","","","0.1187","0.1225","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208331","8.2933","0.0003","11.1971","0.0003","24.1682","0.0007","91.145","0.001","93.419","0.001","92.945","0.002","2236.73","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hexakis(N-methylimidazole)copper(II) bistriflimide","hexakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Cu F12 N14 O8 S4 -","- C28 H36 Cu F12 N14 O8 S4 -","- C56 H72 Cu2 F24 N28 O16 S8 -","2","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0403","0.0368","","","0.0946","0.0972","","","","","","1.059","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208332","14.07","0.004","15.3","0.004","27.431","0.008","90","","90","","90","","5905","3","123","","123","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C1.5 H6 As5 N S8 -","- C1.5 H6 As5 N S8 -","- C24 H96 As80 N16 S128 -","16","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0227","0.0205","","","0.0491","0.0497","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208333","17.299","0.009","11.951","0.007","23.254","0.013","90","","90","","90","","4808","5","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- As8 H8 N2 S13 -","- As8 H8 N2 S13 -","- As64 H64 N16 S104 -","8","1","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0615","0.0533","","","0.1398","0.1475","","","","","","1.021","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208334","9.4829","0.0007","17.0177","0.0013","14.5741","0.0011","90","","101.881","0.001","90","","2301.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0425","0.036","","","0.094","0.0991","","","","","","1.044","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208335","9.39","0.0007","17.1409","0.0014","14.6595","0.0012","90","","102.038","0.002","90","","2307.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0548","0.0421","","","0.1043","0.1126","","","","","","1.013","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208336","9.3901","0.0001","17.1534","0.0001","14.8607","0.0002","90","","102.328","0.001","90","","2338.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","1.5418","CuKα","","0.0468","0.0395","","","0.0981","0.1022","","","","","","1.024","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208337","11.9199","0.0002","14.3119","0.0004","13.7279","0.0004","90","","102.026","0.002","90","","2290.53","0.1","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0629","0.0462","","","0.0991","0.1077","","","","","","1.04","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208338","9.517","","17.083","","14.581","","90","","101.96","","90","","2319.1","","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1106","0.0454","","","0.0831","0.0946","","","","","","0.857","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208339","9.3791","0.0002","17.2497","0.0003","14.7021","0.0004","90","","102.069","0.002","90","","2326.03","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1263","0.0534","","","0.1124","0.1262","","","","","","0.866","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208340","9.37","0.0002","17.2807","0.0003","14.7363","0.0003","90","","102.134","0.002","90","","2332.8","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.123","0.0469","","","0.0949","0.1065","","","","","","0.84","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208341","9.3726","0.0002","17.2873","0.0003","14.7499","0.0003","90","","102.167","0.002","90","","2336.2","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1268","0.0472","","","0.0948","0.1073","","","","","","0.844","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208342","9.3734","0.0002","17.2887","0.0003","14.7596","0.0003","90","","102.19","0.002","90","","2337.92","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1276","0.048","","","0.0994","0.1124","","","","","","0.849","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208343","9.3741","0.0002","17.2885","0.0003","14.7653","0.0003","90","","102.202","0.002","90","","2338.87","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1293","0.049","","","0.0992","0.1133","","","","","","0.853","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208344","9.3749","0.0002","17.2881","0.0003","14.7691","0.0003","90","","102.22","0.002","90","","2339.45","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1308","0.0487","","","0.0954","0.1091","","","","","","0.833","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208345","9.3761","0.0002","17.2872","0.0002","14.7712","0.0003","90","","102.226","0.002","90","","2339.91","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1064","0.0518","","","0.1319","0.1439","","","","","","1.002","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208346","9.3781","0.0002","17.2875","0.0002","14.7775","0.0003","90","","102.232","0.002","90","","2341.4","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1301","0.0496","","","0.0996","0.1131","","","","","","0.852","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208347","9.4946","0.0002","17.0479","0.0004","14.5784","0.0004","90","","101.951","0.002","90","","2308.56","0.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0856","0.0508","","","0.099","0.1122","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208348","9.4645","0.0002","17.0968","0.0004","14.5914","0.0004","90","","102.008","0.003","90","","2309.41","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.074","0.0464","","","0.0895","0.1012","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208349","9.4512","0.0002","17.1319","0.0004","14.6123","0.0005","90","","102.013","0.003","90","","2314.17","0.11","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29.001 H23 O P S -","- C116.004 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0865","0.0506","","","0.0929","0.1076","","","","","","1.021","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208350","9.407","0.005","17.207","0.005","14.659","0.005","90","0.005","102.087","0.005","90","0.005","2320.2","1.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1331","0.0669","","","0.1265","0.1559","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208351","9.3704","0.0014","17.241","0.003","14.693","0.002","90","","102.056","0.002","90","","2321.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.6889","synchrotron","","0.0948","0.0646","","","0.1536","0.1865","","","","","","1.098","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208352","9.3801","0.0002","17.258","0.0002","14.737","0.0003","90","","102.273","0.002","90","","2331.13","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1299","0.0496","","","0.103","0.1176","","","","","","0.835","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208353","9.406","0.005","17.312","0.005","14.818","0.005","90","0.005","102.305","0.005","90","0.005","2357.5","1.6","221","2","221","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1213","0.0558","","","0.1123","0.1293","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208354","9.4598","0.001","16.9974","0.0014","14.5643","0.0013","90","","101.853","0.009","90","","2291.9","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0465","0.0379","","","0.0826","0.0887","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208355","9.4904","0.0003","17.0028","0.0005","14.5622","0.0004","90","","101.951","0.003","90","","2298.87","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0461","0.0377","","","0.0836","0.089","","","","","","1.026","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208356","9.3365","0.0005","17.1396","0.0006","14.7354","0.0013","90","","102.311","0.008","90","","2303.8","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.085","0.0639","","","0.1349","0.1485","","","","","","1.11","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208357","9.3733","0.0003","17.2097","0.0005","14.8077","0.0005","90","","102.379","0.003","90","","2333.12","0.13","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0857","0.064","","","0.1338","0.1463","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208358","9.3833","0.0003","17.1058","0.0004","14.6168","0.0003","90","","102.04","0.003","90","","2294.52","0.11","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0836","0.06","","","0.1346","0.1517","","","","","","1.034","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208359","14.3036","0.0007","21.7219","0.001","25.5475","0.0011","90","","90","","90","","7937.6","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H31.7 F N5.25 Ni O6 S4 -","- C34.5 H30.875 F N5.25 Ni O6 S4 -","- C276 H247 F8 N42 Ni8 O48 S32 -","8","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Cation‒anion packing and molecular motion in (m-fluoroanilinium)(dibenzo[18]crown-6)[Ni(mnt)2]−(CH3CN)0.25 crystals","CrystEngComm","2012","14","16","5235","","10.1039/c2ce25493j","","","0.71075","MoKα","","","0.0423","","","","0.0727","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208360","12.5467","0.0006","19.1791","0.001","5.7446","0.0002","90","","97.251","0.003","90","","1371.29","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 I N2 O2 S -","- C12 H8 F3 I N2 O2 S -","- C48 H32 F12 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0399","0.0284","","","0.0663","0.0698","","","","","","0.997","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208361","12.7165","0.0008","19.5032","0.0014","5.6759","0.0003","90","","99.204","0.004","90","","1389.57","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 I2 N2 O2 S -","- C11 H8 I2 N2 O2 S -","- C44 H32 I8 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1008","0.0469","","","0.0999","0.1133","","","","","","0.971","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208362","12.3761","0.0005","19.3231","0.0007","5.5652","0.0002","90","","98.824","0.001","90","","1315.14","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I N2 O2 S -","- C11 H8 Br I N2 O2 S -","- C44 H32 Br4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0406","0.033","","","0.0779","0.081","","","","","","0.998","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208363","12.191","0.0005","19.2471","0.0007","5.5793","0.0002","90","","98.441","0.001","90","","1294.95","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl I N2 O2 S -","- C11 H8 Cl I N2 O2 S -","- C44 H32 Cl4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0335","0.027","","","0.0581","0.0601","","","","","","1.083","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208364","11.21","0.0003","18.4797","0.0004","6.0146","0.0002","90","","97.104","0.002","90","","1236.4","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F I N2 O2 S -","- C11 H8 F I N2 O2 S -","- C44 H32 F4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0271","0.024","","","0.0522","0.0537","","","","","","0.892","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208365","12.365","0.004","19.488","0.003","5.6711","0.0018","90","","99.63","0.03","90","","1347.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C48 H35.24 Br2.92 F8.76 I1.08 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1403","0.0824","","","0.1581","0.1797","","","","","","0.95","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208366","10.5231","0.0005","19.2374","0.0007","6.2008","0.0002","90","","94.353","0.001","90","","1251.65","0.09","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I N2 O2 S -","- C11 H9 I N2 O2 S -","- C44 H36 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0934","0.0791","","","0.1831","0.193","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208367","12.4694","0.0006","19.4348","0.0009","5.7709","0.0001","90","","99.01","0.003","90","","1381.27","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F6 N2 O2 S -","- C13 H8 F6 N2 O2 S -","- C52 H32 F24 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.064","0.049","","","0.1254","0.1344","","","","","","0.972","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208368","12.7889","0.0004","19.4009","0.0008","5.727","0.0002","90","","100.65","0.002","90","","1396.48","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C47.84 H32 F11.52 I4.16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0833","0.0898","","","","","","0.886","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208369","12.3877","0.0006","19.4324","0.0009","5.7076","0.0002","90","","100.458","0.002","90","","1351.13","0.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br F3 N2 O2 S -","- C12 H8 Br F3 N2 O2 S -","- C48 H32 Br4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0527","0.0351","","","0.0872","0.0936","","","","","","0.941","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208370","12.1508","0.0007","19.4666","0.0011","5.6756","0.0002","90","","99.863","0.003","90","","1322.64","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl F3 N2 O2 S -","- C12 H8 Cl F3 N2 O2 S -","- C48 H32 Cl4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0541","0.0434","","","0.1139","0.1202","","","","","","1.003","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208371","11.1914","0.0009","19.087","0.0015","5.9552","0.0003","90","","97.357","0.005","90","","1261.62","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F4 N2 O2 S -","- C12 H8 F4 N2 O2 S -","- C48 H32 F16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0675","0.0506","","","0.1296","0.1381","","","","","","1.011","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208372","12.1514","0.0011","19.549","0.002","5.6316","0.0005","90","","99.286","0.006","90","","1320.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F3 N2 O2 S -","- C13 H11 F3 N2 O2 S -","- C52 H44 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.075","0.0488","","","0.117","0.1292","","","","","","1.025","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208373","10.8792","0.0008","18.802","0.002","6.1463","0.0006","90","","95.248","0.007","90","","1252","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 N2 O2 S -","- C12 H9 F3 N2 O2 S -","- C48 H36 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1013","0.0783","","","0.1639","0.1764","","","","","","0.916","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208374","27.9106","0.001","27.9106","0.001","9.8447","0.0007","90","","90","","90","","7669","0.7","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C352 H352 N32 O32 -","16","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C‒H⋯π and C‒H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1018","0.0938","","","0.2019","0.2055","","","","","","1.25","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208375","11.4965","0.0014","9.5446","0.0012","17.128","0.002","90","","95.203","0.002","90","","1871.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C‒H⋯π and C‒H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1099","0.0692","","","0.1543","0.1747","","","","","","0.975","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208376","7.83","0.002","10.912","0.003","12.498","0.004","106.544","0.003","96.596","0.003","99.562","0.003","994.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Co2 N O12 -","- C17 H15 Co2 N O12 -","- C34 H30 Co4 N2 O24 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.0575","0.0477","","","0.1324","0.1396","","","","","","1.06","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208377","13.5752","0.0016","10.2329","0.0012","31.409","0.004","90","","98.156","0.001","90","","4319","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H64 Co3 N10 O20 -","- C78 H64 Co3 N10 O20 -","- C156 H128 Co6 N20 O40 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.067","0.044","","","0.1086","0.1171","","","","","","1","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208378","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208379","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208380","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208381","11.03","0.002","12.045","0.002","20.673","0.004","81.84","0.03","81.39","0.03","74.74","0.03","2604.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 N4 O20 Zn3 -","- C54 H45 N4 O20 Zn3 -","- C108 H90 N8 O40 Zn6 -","2","1","","Tan, Yi; Chen, Hengjun; Zhang, Jie; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","Synthesis of a 3D photochromic coordination polymer with an interpenetrating arrangement: crystal engineering for electron transfer between donor and acceptor units","CrystEngComm","2012","14","16","5137","","10.1039/c2ce25618e","","","0.71073","MoKα","","0.1046","0.0603","","","0.1617","0.1981","","","","","","1.053","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208382","11.236","0.005","8.459","0.003","15.532","0.006","90","","90.586","0.001","90","","1476.2","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H19 Ca N O13.5 P3 -","- C3 H16 Ca N O13.5 P3 -","- C12 H64 Ca4 N4 O54 P12 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.6889","Synchrotron","","0.0739","0.0557","","","0.1354","0.1585","","","","","","1.101","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208383","6.943","0.005","7.581","0.006","9.662","0.006","92.734","0.005","106.176","0.01","112.524","0.014","444.3","0.6","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ca O9 P2 -","- C2 H6 Ca O9 P2 -","- C4 H12 Ca2 O18 P4 -","2","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71075","MoKα","","0.0833","0.0707","","","0.2432","0.2858","","","","","","1.287","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208384","5.334","0.0002","14.225","0.0003","13.092","0.0004","90","","92.121","0.0014","90","","992.69","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Ca N O8 P -","- C5 H10 Ca N O8 P -","- C20 H40 Ca4 N4 O32 P4 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71073","MoKα","","0.0418","0.0337","","","0.1247","0.1313","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208385","7.098","0.002","26.678","0.008","12.591","0.003","90","","91.191","0.015","90","","2383.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 Mg N2 O20 P2 -","- C10 H22 Mg N2 O20 P2 -","- C40 H88 Mg4 N8 O80 P8 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","1.54178","CuKα","","0.1624","0.0814","","","0.1711","0.216","","","","","","1.039","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208386","17.445","0.004","13.883","0.003","24.348","0.005","90","","90","","90","","5897","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SU-71","","","- C10.62 H32.32 Ge7 N5.31 O17 -","- C10.62 H3 Ge7 N5.31 O17 -","- C84.96 H24 Ge56 N42.48 O136 -","8","1","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0714","0.0679","","","0.1735","0.1763","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208387","23.062","0.005","32.711","0.007","23.936","0.005","90","","96.77","0.03","90","","17931","7","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","SU-72","","","- C63.33 H273.22 Ge85 N38 O218 -","- C12 H36 Ge85 N12 O218 -","- C24 H72 Ge170 N24 O436 -","2","0.25","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","","","0.2361","0.0995","","","0.239","0.2691","","","","","","1.073","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208388","54.371","0.011","8.86","0.0018","31.224","0.006","90","","90","","90","","15041","5","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","SU-73","","","- C46.56 H154.45 Ge35.26 N23.28 O88.56 -","- C46.56 H12.5 Ge35.26 N23.28 O88.56 -","- C186.24 H50 Ge141.04 N93.12 O354.24 -","4","0.5","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0784","0.0535","","","0.136","0.1464","","","","","","1.005","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208389","41.616","0.008","15.67","0.003","15.67","0.003","90","","90","","90","","10219","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Eu6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Eu6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Eu24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0568","0.0402","","","0.08","0.0824","","","","","","0.897","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208390","26.089","0.005","13.499","0.003","13.337","0.003","90","","90","","90","","4697","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Eu N8 S4 Sb -","- C12 H36 Eu N8 S4 Sb -","- C96 H288 Eu8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0242","0.0202","","","0.0416","0.0435","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208391","13.44","0.003","13.324","0.003","26.002","0.005","90","","90","","90","","4656.3","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Gd N8 S4 Sb -","- C12 H36 Gd N8 S4 Sb -","- C96 H288 Gd8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0387","0.0237","","","0.0456","0.05","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208392","13.441","0.003","13.312","0.003","26.026","0.005","90","","90","","90","","4656.7","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Er N8 S4 Sb -","- C12 H36 Er N8 S4 Sb -","- C96 H288 Er8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0495","0.0268","","","0.0526","0.06","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208393","15.543","0.003","15.647","0.003","41.256","0.008","90","","90","","90","","10034","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 N30 O4 S14 Sb4 Y6 -","- C48 H138 Cl2 N30 O4 S14 Sb4 Y6 -","- C192 H552 Cl8 N120 O16 S56 Sb16 Y24 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0962","0.0511","","","0.0977","0.1121","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208394","15.548","0.003","15.682","0.003","41.22","0.008","90","","90","","90","","10050","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Er6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Er6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Er24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0425","0.0365","","","0.0774","0.08","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208395","14.281","0.003","15.686","0.003","16.025","0.003","90","","104.33","0.03","90","","3478.1","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48.5 Cl Gd2 N10 O2.25 S4 Sb -","- C16 H48 Cl Gd2 N10 O2.25 S4 Sb -","- C64 H192 Cl4 Gd8 N40 O9 S16 Sb4 -","4","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0221","0.0188","","","0.0423","0.0436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208396","13.4409","0.0008","15.3904","0.0008","19.3895","0.001","90","","91.252","0.003","90","","4010","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag2 N10 O6 -","- C16 H16 Ag2 N10 O6 -","- C128 H128 Ag16 N80 O48 -","8","2","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0533","0.0308","","","0.061","0.0692","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208397","11.8432","0.0004","12.4409","0.0004","15.8426","0.0004","90","","109.147","0.001","90","","2205.12","0.12","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H35 Ag3 Cl3 N17 O12 -","- C34 H35 Ag3 Cl3 N17 O12 -","- C68 H70 Ag6 Cl6 N34 O24 -","2","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0221","0.0204","","","0.0477","0.0485","","","","","","1.033","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208398","21.9927","0.0005","12.7858","0.0003","11.2203","0.0003","90","","90","","90","","3155.08","0.13","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H12 Ag F6 N6 P -","- C12 H12 Ag F6 N6 P -","- C96 H96 Ag8 F48 N48 P8 -","8","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.027","0.0203","","","0.0483","0.0516","","","","","","1.042","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208399","15.1751","0.0003","15.1751","0.0003","22.5604","0.0008","90","","90","","90","","5195.3","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 N6 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Shen, Lingjuan; Gray, Danielle; Masel, Richard I.; Girolami, Gregory S.","Synthesis and characterization of a zinc metal‒organic framework with chiral nano-pores","CrystEngComm","2012","14","16","5145","","10.1039/c2ce25780g","","","1.54178","CuKα","","0.0427","0.0422","","","0.1174","0.1178","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208400","19.5999","0.0018","28.716","0.003","19.817","0.0018","90","","112.339","0.0012","90","","10316.6","1.7","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Rh6 -","- C144 H86 N12 O24 Rh6 -","- C288 H172 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0559","","","","0.1731","","","","","","1.076","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208401","19.709","0.003","28.892","0.004","20.386","0.003","90","","113.556","0.002","90","","10641","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Rh6 -","- C144 H78 F12 N12 O24 Rh6 -","- C288 H156 F24 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0728","","","","0.217","","","","","","0.959","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208402","19.686","0.003","28.643","0.004","19.816","0.003","90","","112.198","0.003","90","","10345","3","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Ru6 -","- C144 H96 N12 O24 Ru6 -","- C288 H192 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0593","","","","0.1501","","","","","","0.872","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208403","19.738","0.003","28.91","0.004","19.689","0.003","90","","112.663","0.003","90","","10368","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H70 F12 N12 O24 Ru6 -","- C288 H140 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0716","","","","0.2226","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208404","19.732","0.003","28.95","0.003","20.193","0.003","90","","113.269","0.002","90","","10597","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H78 F12 N12 O24 Ru6 -","- C288 H156 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0647","","","","0.1985","","","","","","1.063","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208405","8.922","0.004","13.157","0.006","13.644","0.006","90","","92.214","0.008","90","","1600.4","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Mo2 N4 O17 -","- C22 H40 Mo2 N4 O17 -","- C44 H80 Mo4 N8 O34 -","2","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0307","0.0301","","","0.0804","0.0812","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208406","7.529","0.003","7.752","0.003","10.903","0.003","71.991","0.012","76.257","0.015","83.426","0.014","587.3","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","1","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0504","0.072","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208434","16.011","0.003","5.987","0.0012","19.649","0.004","90","","111.46","0.03","90","","1752.9","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H9 I3 N4 S -","- C12 H9 I3 N4 S -","- C48 H36 I12 N16 S4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0585","0.0329","","","0.07","0.0787","","","","","","1.049","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208435","15.91","0.001","8.392","0.001","16.09","0.001","90","","101.14","0.01","90","","2107.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 I5 N4 S -","- C12 H9 I5 N4.002 S1.018 -","- C48 H36 I20 N16.008 S4.072 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0677","0.0281","","","0.0532","0.0549","","","","","","0.624","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208436","11.773","0.002","8.06","0.001","18.058","0.003","90","","108.44","0.01","90","","1625.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N3.998 S0.986 -","- C48 H36 Br8 I4 N15.992 S3.944 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0416","0.0285","","","0.063","0.064","","","","","","0.841","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208437","10.905","0.004","11.753","0.01","16.185","0.006","75.08","0.04","72.27","0.03","80.78","0.05","1902","2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 I6 N8 O S2 -","- C28 H16 I6 N7.999 O S1.9974 -","- C56 H32 I12 N15.998 O2 S3.9948 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.1253","0.062","","","0.175","0.2001","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208438","13.306","0.0009","24.8569","0.0018","14.2466","0.001","90","","93.29","0.01","90","","4704.2","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N4.00067 S0.973333 -","- C144 H108 Br24 I12 N48.008 S11.68 -","12","3","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0886","0.0507","","","0.1622","0.171","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208439","10.406","0.003","17.329","0.004","10.443","0.005","90","","99.05","0.03","90","","1859.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 I4 N4 S -","- C12 H8 I4 N4.02 S0.982 -","- C48 H32 I16 N16.08 S3.928 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.088","0.0294","","","0.0531","0.0617","","","","","","1.026","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208440","5.66513","0.00016","9.0127","0.0004","9.7723","0.0005","109.318","0.004","102.263","0.003","100.163","0.003","443.35","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0405","0.0351","","","0.0939","0.0973","","","","","","1.067","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208441","5.66521","0.00018","8.9987","0.0004","9.7696","0.0005","109.516","0.004","102.251","0.003","100.096","0.003","442.06","0.04","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0412","0.0356","","","0.0976","0.1016","","","","","","1.064","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208442","5.66264","0.00017","8.9788","0.0004","9.7642","0.0004","109.682","0.004","102.236","0.003","100.002","0.003","440.33","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0384","0.0332","","","0.0878","0.0911","","","","","","1.044","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208443","5.66107","0.00017","8.9574","0.0005","9.7578","0.0005","109.831","0.005","102.228","0.004","99.913","0.003","438.59","0.04","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0417","0.0355","","","0.0913","0.0956","","","","","","1.038","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208444","5.66062","0.00016","8.9394","0.0004","9.7525","0.0005","109.967","0.004","102.224","0.003","99.833","0.003","437.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0315","","","0.0859","0.0884","","","","","","1.057","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208445","5.65949","0.00016","8.9271","0.0004","9.7495","0.0004","110.093","0.004","102.22","0.003","99.769","0.003","436.06","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0323","","","0.0842","0.0871","","","","","","1.044","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208446","5.65706","0.00014","8.9064","0.0004","9.7446","0.0004","110.208","0.004","102.193","0.003","99.702","0.003","434.47","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0351","0.0307","","","0.0809","0.0839","","","","","","1.037","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208447","5.65476","0.00017","8.8702","0.0004","9.7344","0.0004","110.377","0.004","102.167","0.003","99.621","0.003","431.74","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0868","0.0902","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208448","5.2748","0.0002","6.6507","0.0003","10.4397","0.0003","86.836","0.003","76.833","0.003","70.093","0.004","335.2","0.02","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0358","0.0315","","","0.092","0.0939","","","","","","1.12","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208449","5.2705","0.0003","6.6419","0.0004","10.4243","0.0005","86.895","0.004","76.869","0.004","70.16","0.005","334.17","0.03","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0421","0.0351","","","0.1012","0.1041","","","","","","1.069","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208450","5.2672","0.0003","6.6328","0.0004","10.4111","0.0004","86.956","0.004","76.887","0.004","70.227","0.005","333.24","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.04","0.0342","","","0.0979","0.1004","","","","","","1.08","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208451","5.2644","0.0003","6.6233","0.0004","10.3965","0.0004","87.021","0.004","76.908","0.004","70.282","0.005","332.26","0.03","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0398","0.034","","","0.0976","0.0999","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208452","5.2615","0.0003","6.6145","0.0004","10.3827","0.0004","87.08","0.004","76.924","0.004","70.335","0.005","331.32","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0934","0.0951","","","","","","1.098","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208453","5.2589","0.0003","6.6056","0.0004","10.3687","0.0004","87.155","0.004","76.947","0.004","70.385","0.005","330.39","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0391","0.0334","","","0.0916","0.0941","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208454","5.2563","0.0003","6.598","0.0003","10.3562","0.0004","87.226","0.004","76.973","0.004","70.438","0.005","329.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0367","0.0325","","","0.0878","0.0894","","","","","","1.089","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208455","5.254","0.0003","6.5904","0.0003","10.3425","0.0004","87.327","0.004","77.009","0.004","70.477","0.005","328.73","0.03","125","2","125","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0314","","","0.0834","0.0852","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208456","5.2521","0.0002","6.5844","0.0003","10.3311","0.0002","87.44","0.003","77.032","0.003","70.505","0.003","328.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0273","0.0257","","","0.0713","0.0719","","","","","","1.08","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208457","5.08996","0.00015","5.8843","0.0002","6.5214","0.0002","96.452","0.003","103.859","0.003","102.076","0.003","182.703","0.011","295","2","295","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0334","0.0291","","","0.0701","0.0729","","","","","","1.04","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208458","5.07618","0.00015","5.8583","0.0002","6.5043","0.0002","96.3","0.003","103.661","0.003","102.203","0.003","181.091","0.011","250","2","250","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0731","0.0746","","","","","","1.053","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208459","5.06381","0.00014","5.83621","0.00018","6.4864","0.0002","96.162","0.003","103.409","0.003","102.331","0.003","179.669","0.01","200","2","200","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0263","0.0252","","","0.0646","0.0652","","","","","","1.085","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208460","5.053","0.00017","5.81773","0.00018","6.4717","0.0002","96.051","0.003","103.212","0.003","102.439","0.003","178.456","0.011","150","2","150","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0615","0.0621","","","","","","1.07","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208461","5.04324","0.00014","5.80332","0.00017","6.4627","0.0002","95.944","0.003","103.086","0.003","102.516","0.003","177.525","0.01","100","2","100","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0236","0.0232","","","0.0604","0.0608","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208462","8.0773","0.0003","21.049","0.0007","34.7351","0.0015","90","","90","","90","","5905.6","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H28.5 Cd N8 O10.25 -","- C23 H28.5 Cd N8 O10.25 -","- C184 H228 Cd8 N64 O82 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0901","0.0547","","","0.1212","0.139","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208463","10.2045","0.0003","16.3187","0.0006","13.9348","0.0005","90","","99.7","0.003","90","","2287.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cd N8 O4 -","- C23 H16 Cd N8 O4 -","- C92 H64 Cd4 N32 O16 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0635","0.0395","","","0.069","0.0782","","","","","","1.018","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208464","9.1097","0.0005","9.5613","0.0005","14.6922","0.0007","88.285","0.004","86.169","0.004","64.289","0.005","1150.42","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N8 O5 -","- C23 H16 Cd N8 O5 -","- C46 H32 Cd2 N16 O10 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.038","0.0312","","","0.0655","0.069","","","","","","1.028","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208465","11.2255","0.0004","11.5675","0.0003","15.6687","0.0004","94.647","0.002","110.543","0.003","92.245","0.003","1893.96","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","1","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0346","0.0298","","","0.0781","0.082","","","","","","1.041","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208466","10.0266","0.0002","21.0636","0.0006","16.6202","0.0004","90","","90","","90","","3510.12","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H24 Cd3 N8 O15 -","- C33 H8 Cd3 N8 O15 -","- C132 H32 Cd12 N32 O60 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0536","0.0446","","","0.1018","0.1065","","","","","","1.11","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208467","10.1516","0.0004","16.5563","0.0007","13.2469","0.0005","90","","98.846","0.004","90","","2199.96","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C92 H64 N32 O16 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0566","0.0391","","","0.086","0.0953","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208468","35.7465","0.0014","11.2708","0.0003","14.9426","0.0006","90","","106.934","0.004","90","","5759.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 N16 O17.5 Zn3 -","- C54 H41 N16 O17.5 Zn3 -","- C216 H164 N64 O70 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0581","0.0403","","","0.0963","0.1045","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208469","9.929","0.0002","16.2793","0.0004","21.263","0.0004","90","","90","","90","","3436.89","0.13","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C33 H24 N8 O15 Zn3 -","- C33 H12 N8 O15 Zn3 -","- C132 H48 N32 O60 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0839","0.0808","","","0.1661","0.1675","","","","","","1.17","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208470","9.652","0.005","10.704","0.005","11.159","0.006","90","","90","","90","","1152.9","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0501","0.0361","","","0.0833","0.0908","","","","","","1.002","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208471","9.641","0.002","10.711","0.002","11.172","0.003","90","","90","","90","","1153.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0712","0.0414","","","0.0802","0.0901","","","","","","1.02","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208472","20.4862","0.0005","16.2663","0.0005","16.9774","0.0005","90","","99.12","0.003","90","","5585.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H116 N20 O32 Zn4 -","- C96 H92 N20 O32 Zn4 -","- C192 H184 N40 O64 Zn8 -","2","0.25","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0772","0.0553","","","0.1505","0.1645","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208473","24.6475","0.0019","7.5175","0.0004","23.1062","0.0017","90","","115.938","0.009","90","","3850","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Co N3 O5 -","- C19 H16 Co N3 O5 -","- C152 H128 Co8 N24 O40 -","8","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0637","0.0417","","","0.0757","0.0841","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208474","12.173","0.0006","24.055","0.001","14.235","0.0006","90","","91.543","0.004","90","","4166.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H74 N8 O14 Zn2 -","- C79 H67.6 N8 O14 Zn2 -","- C158 H135.2 N16 O28 Zn4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.1754","0.087","","","0.1588","0.1887","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208475","12.617","0.0008","25.866","0.001","11.461","0.0007","90","","120.449","0.008","90","","3224.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H32 Co N4 O5 -","- C39 H32 Co N4 O5 -","- C156 H128 Co4 N16 O20 -","4","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0496","0.0377","","","0.0613","0.0663","","","","","","0.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208476","5.543","0.0003","14.59","0.0007","14.935","0.0007","100.202","0.004","94.958","0.004","98.558","0.004","1167.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","1","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0375","0.0319","","","0.0708","0.0748","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208477","11.64","0.0008","7.142","0.0003","22.778","0.001","90","","91.812","0.005","90","","1892.65","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H30 Cd3 N8 O14 -","- C34 H30 Cd3 N8 O14 -","- C68 H60 Cd6 N16 O28 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0865","0.0566","","","0.1045","0.119","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208478","4.864","0.0003","9.645","0.0006","27.587","0.0017","90","","92.265","0.006","90","","1293.19","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O11 Pb2 -","- C28 H18 N2 O11 Pb2 -","- C56 H36 N4 O22 Pb4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0691","0.0439","","","0.0785","0.0933","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208479","12.028","0.003","6.7017","0.0019","8.628","0.003","90","","97.218","0.004","90","","690","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Co O6 -","- C16 H12 Co O6 -","- C32 H24 Co2 O12 -","2","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0596","0.0398","","","0.0972","0.1369","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208480","7.7455","0.0014","7.7455","0.0014","24.912","0.009","90","","90","","90","","1494.5","0.7","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C16 H12 Mn O6 -","- C16 Mn O6 -","- C64 Mn4 O24 -","4","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0556","0.0483","","","0.1272","0.133","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208481","6.5797","0.0002","7.7589","0.0002","18.7911","0.0004","90","","90","","90","","959.31","0.04","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Li -","- C12 H11 Li -","- C48 H44 Li4 -","4","1","","Foy, Justin T.; Wilkes, Elise B.; Aprahamian, Ivan","Self-assembly of benzyl cyclopentadienyl lithium","CrystEngComm","2012","14","19","6126","","10.1039/c2ce25447f","","x-ray","0.71073","MoKα","","0.0495","0.0355","","","0.0705","0.0765","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208482","12.4772","0.0002","12.226","0.0001","18.0714","0.0003","90","","120.468","0.001","90","","2376.06","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N4 O6.5 Zn -","- C26 H19 N4 O6.5 Zn -","- C104 H76 N16 O26 Zn4 -","4","1","","Sun, Gong-ming; Song, Yu-mei; Liu, Yan; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan; Luo, Feng","A novel 2D→3D array in a vertical mode containing both polyrotaxane and polycatenane motifs","CrystEngComm","2012","14","18","5714","","10.1039/c2ce25456e","","","0.71073","MoKα","","0.0384","0.0325","","","0.0801","0.0858","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208483","7.4937","0.0013","11.609","0.002","14.781","0.003","102.927","0.003","102.71","0.003","93.364","0.003","1214.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0672","0.056","","","0.1103","0.1154","","","","","","1.143","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208484","6.9399","0.0008","14.5758","0.0017","21.126","0.003","90","","92.407","0.002","90","","2135.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl5 Cu N5 -","- C18 H16 Cl5 Cu N5 -","- C72 H64 Cl20 Cu4 N20 -","4","1","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.041","0.0383","","","0.0839","0.0851","","","","","","1.218","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208485","7.5469","0.0008","11.5778","0.0012","14.6595","0.0015","102.136","0.002","102.265","0.002","93.705","0.002","1215.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0376","0.0333","","","0.078","0.081","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208486","8.3938","0.0015","21.103","0.004","16.647","0.003","90","","102.118","0.005","90","","2883","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O2 S4 Zn -","- C22 H21 N7 O2 S4 Zn -","- C88 H84 N28 O8 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0691","0.0461","","","0.0985","0.1125","","","","","","1.06","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208487","14.14","0.005","14.784","0.004","11.087","0.004","90","","103.242","0.011","90","","2256.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H16 N6 O2 S4 Zn -","- C16 H16 N6 O2 S4 Zn -","- C64 H64 N24 O8 S16 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0586","0.042","","","0.1048","0.1172","","","","","","1.046","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208488","4.722","0.003","21.523","0.011","20.208","0.011","90","","93.513","0.016","90","","2050","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 S4 Zn -","- C16 H12 N6 S4 Zn -","- C64 H48 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.069","0.0466","","","0.1089","0.1251","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208489","14.756","0.007","12.82","0.006","16.142","0.008","90","","100.053","0.013","90","","3007","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe N14 O4 S6 -","- C54 H52 Fe N14 O4 S6 -","- C108 H104 Fe2 N28 O8 S12 -","2","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.2002","0.11","","","0.2647","0.3234","","","","","","1.092","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208490","14.545","0.003","13.784","0.003","16.111","0.003","90","","101.06","0.03","90","","3170.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co N6 S4 -","- C30 H24 Co N6 S4 -","- C120 H96 Co4 N24 S16 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.1881","0.0842","","","0.1792","0.2284","","","","","","1.096","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208491","13.956","0.003","13.69","0.003","13.951","0.003","90","","99.09","0.03","90","","2632","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 N2 Zn -","- C26 H24 Cl4 N2 Zn -","- C104 H96 Cl16 N8 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.0471","0.0375","","","0.0927","0.1012","","","","","","1.062","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208492","14.585","0.007","13.793","0.006","16.038","0.007","90","","101.247","0.014","90","","3164","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 S4 Zn -","- C30 H24 N6 S4 Zn -","- C120 H96 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.1887","0.0687","","","0.1453","0.1909","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208493","19.777","0.003","19.777","0.003","46.892","0.009","90","","90","","90","","18341","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C100 H79 N10 O25 Zn5 -","- C100 H66 N10 O25 Zn5 -","- C800 H528 N80 O200 Zn40 -","8","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1295","0.1","","","0.2486","0.2707","","","","","","1.175","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208494","19.022","0.004","16.166","0.003","29.481","0.006","90","","99.32","0.03","90","","8946","3","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H75 N9 O16 Zn4 -","- C106 H75 N9 O16 Zn4 -","- C424 H300 N36 O64 Zn16 -","4","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1029","0.0624","","","0.1324","0.1538","","","","","","1.086","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208495","11.398","0.002","7.0474","0.0014","25.64","0.007","90","","107.84","0.03","90","","1960.5","0.8","223.15","","223.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C84 H64 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1293","0.0803","","","0.1933","0.2465","","","","","","1.18","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208496","21.739","0.004","23.577","0.005","7.4591","0.0015","90","","90","","90","","3823.1","1.3","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C42 H30 N4 O13 Zn2 -","- C42 H28 N4 O13 Zn2 -","- C168 H112 N16 O52 Zn8 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.0506","0.0423","","","0.0966","0.1019","","","","","","1.017","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208497","30.9","0.006","7.6409","0.0015","16.156","0.003","90","","103.35","0.03","90","","3711.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O5 Zn -","- C20 H17 N3 O5 Zn -","- C160 H136 N24 O40 Zn8 -","8","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1493","0.1197","","","0.3091","0.3334","","","","","","1.209","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208498","30.877","0.006","8.0459","0.0016","9.1577","0.0018","90","","90","","90","","2275.1","0.8","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O5 Zn -","- C27 H18 N2 O5 Zn -","- C108 H72 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1244","0.0635","","","0.1344","0.1767","","","","","","0.845","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208499","17.8372","0.0019","21.164","0.002","21.721","0.002","90","","90.3","0.002","90","","8199.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cd2 N4 O9 -","- C40 H40 Cd2 N4 O9 -","- C160 H160 Cd8 N16 O36 -","4","1","","Gao, Wen-Yang; Niu, Youhong; Chen, Yao; Wojtas, Lukasz; Cai, Jianfeng; Chen, Yu-Sheng; Ma, Shengqian","Porous metal‒organic framework based on a macrocyclic tetracarboxylate ligand exhibiting selective CO2 uptake","CrystEngComm","2012","14","19","6115","","10.1039/c2ce25484k","","","0.49594","synchrotron","","0.1012","0.0725","","","0.193","0.2019","","","","","","1.031","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208500","7.5375","0.0011","8.5549","0.0012","14.7035","0.0021","101.088","0.002","98.465","0.002","92.66","0.002","917.6","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71073","MoKα","","0.0896","0.0453","","","0.1164","0.149","","","","","","1.022","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208501","9.041","0.0018","10.56","0.002","11.85","0.002","65.99","0.03","79.99","0.03","88.69","0.03","1016.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71075","MoKα","","0.1831","0.0869","","","0.232","0.2945","","","","","","1.028","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208502","7.4382","0.0009","17.0249","0.0019","20.224","0.002","96.374","0.009","97.194","0.009","94.166","0.008","2515.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","uhouston01","uhouston01","","- C60 H34 N4 O6 -","- C60 H34 N4 O6 -","- C120 H68 N8 O12 -","2","1","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","1.54178","CuKα","","0.1112","0.0799","","","0.2156","0.2316","","","","","","1.046","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"7208503","13.4049","0.0004","48.9616","0.0014","12.2121","0.0004","90","","90","","90","","8015.1","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H27 N3 O6 -","- C18 H27 N3 O6 -","- C288 H432 N48 O96 -","16","1","","Singh, Rajiv K.; Hou, Xiaodong; Overby, Molly; Schober, Matthew; Chu, Qianli","Hydrogen bonded chiral sheet self-assembled from a C3-symmetric tricarbamate","CrystEngComm","2012","14","19","6132","","10.1039/c2ce25487e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0763","0.0814","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208504","15.4964","0.0011","8.8674","0.0006","13.2985","0.0009","90","","109.423","0.001","90","","1723.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Theophylline-melamine","","","- C12 H20 N10 O3 S -","- C12 H20 N10 O3 S -","- C48 H80 N40 O12 S4 -","4","1","","Abourahma, Heba; Urban, Jennifer M.; Morozowich, Nicole; Chan, Benny","Examining the robustness of a theophylline cocrystal during grinding with additives","CrystEngComm","2012","14","19","6163","","10.1039/c2ce25495f","","","0.71073","MoKα","","0.0443","0.0345","","","0.0852","0.0913","","","","","","1.044","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208505","9.7398","0.0015","14.884","0.002","23.545","0.004","90","","98.88","0.002","90","","3372.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 N4 O7 P -","- C29 H53 N4 O7 P -","- C116 H212 N16 O28 P4 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1177","0.0676","","","0.178","0.2101","","","","","","1.004","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208506","13.111","0.0004","5.9151","0.0002","16.309","0.0005","90","","110.012","0.001","90","","1188.44","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0457","0.0358","","","0.1031","0.1124","","","","","","1.031","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208507","15.007","0.013","10.891","0.009","16.137","0.014","90","","114.279","0.01","90","","2404","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C96 H96 N32 O16 -","8","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1012","0.0469","","","0.1091","0.1347","","","","","","0.959","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208508","9.602","0.005","13.194","0.005","15.104","0.005","113.014","0.005","94.332","0.005","105.702","0.005","1659.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N5 O7 P -","- C28 H52 N5 O7 P -","- C56 H104 N10 O14 P2 -","2","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0678","0.0532","","","0.153","0.167","","","","","","1.045","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208509","10.4208","0.0006","10.3302","0.0006","34.5404","0.0019","90","","94.195","0.002","90","","3708.3","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 N2 O9 -","- C45 H38 N2 O9 -","- C180 H152 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.103","0.0741","","","0.1636","0.1796","","","","","","1.03","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208510","18.6545","0.0008","12.6058","0.0005","21.7602","0.0009","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1559","0.1443","","","0.3535","0.3719","","","","","","1.632","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208511","18.6545","0.0008","21.7602","0.0009","12.6058","0.0005","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1071","0.0982","","","0.2089","0.2127","","","","","","1.195","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208512","28.787","0.003","10.7716","0.0012","14.7431","0.0016","90","","95.24","0.003","90","","4552.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N4 O11 -","- C52 H56 N4 O11 -","- C208 H224 N16 O44 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1042","0.0729","","","0.1804","0.1995","","","","","","1.087","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208513","13.8994","0.0007","5.4845","0.0003","13.1317","0.0006","90","","101.948","0.002","90","","979.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P50 2-aminopyrazine, (4-NO2-PhCOOH)2","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.1557","0.0707","","","0.1821","0.2208","","","","","","1.055","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208514","7.6755","0.0011","8.8822","0.0011","9.6107","0.0015","84.645","0.01","82.063","0.011","74.877","0.01","625.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","P54 2-aminopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H9 N5 O6 -","- C11 H9 N5 O6 -","- C22 H18 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2102","0.0989","","","0.2664","0.3508","","","","","","1.083","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208515","5.993","0.001","12.1894","0.0018","12.995","0.002","90","","98.803","0.008","90","","938.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P55 2-aminopyrazine, 3-NO2-PhCOOH","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0683","0.0494","","","0.1387","0.1511","","","","","","1.106","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208516","5.3982","0.0009","19.505","0.003","6.9524","0.0012","90","","104.487","0.01","90","","708.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D3 2-aminopyrazine, HOOC-(CH2)2-COOH","","- C12 H16 N6 O4 -","- C12 H16 N6 O4 -","- C24 H32 N12 O8 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2198","0.1548","","","0.2756","0.2946","","","","","","1.486","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208517","5.2487","0.0003","29.2633","0.0018","7.2357","0.0005","90","","104.958","0.003","90","","1073.7","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D8 2-aminopyrazine, HOOC-(CH2)3-COOH","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0707","0.0485","","","0.1322","0.1459","","","","","","1.066","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208518","5.0231","0.0005","34.308","0.003","7.4377","0.0008","90","","102.85","0.005","90","","1249.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D9 2-aminopyrazine, HOOC-(CH2)5-COOH","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0655","0.0449","","","0.1249","0.1366","","","","","","1.041","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208519","7.7749","0.0005","9.8014","0.0007","9.2097","0.0006","90","","101.56","0.003","90","","687.59","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D5 2-aminopyrazine, HOOC-(CH2)6-COOH","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0716","0.051","","","0.1419","0.1544","","","","","","1.099","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208520","5.7935","0.0006","7.509","0.0008","8.7271","0.0008","92.984","0.004","91.952","0.005","98.57","0.005","374.57","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","D4 2-aminopyrazine, HOOC-(CH2)8-COOH","","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0535","0.0454","","","0.1307","0.1366","","","","","","1.069","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208521","6.8754","0.0007","7.1197","0.0007","13.8665","0.0014","87.951","0.003","86.435","0.003","72.915","0.004","647.46","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P13 2,6-Br2-3-NH2-pyrazine, 2,5-(HO)2-PhCOOH","","- C11 H9 Br2 N3 O4 -","- C11 H9 Br2 N3 O4 -","- C22 H18 Br4 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0602","0.0429","","","0.1163","0.128","","","","","","1.038","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208522","15.5511","0.0006","5.8057","0.0002","16.0859","0.0006","90","","111.075","0.001","90","","1355.17","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","AR-cc-2c-10 2,6-dibromo-3-aminopyrazine, F5-PhCOOH","","- C11 H4 Br2 F5 N3 O2 -","- C11 H4 Br2 F5 N3 O2 -","- C44 H16 Br8 F20 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0319","0.0231","","","0.0542","0.0577","","","","","","1.012","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208523","7.3153","0.0003","10.4607","0.0004","10.8371","0.0004","65.094","0.002","83.688","0.002","89.742","0.002","746.8","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P9 2-amino-3,5-dibromopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H7 Br2 N5 O6 -","- C11 H7 Br2 N5 O6 -","- C22 H14 Br4 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0342","0.0262","","","0.0678","0.0716","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208524","5.6663","0.0005","13.2299","0.0011","17.3426","0.0014","90","","93.911","0.004","90","","1297.05","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ARcc-2c-7 2-amino-3,5-dibromopyrazine, 2,6-difluorobenzoic acid","","- C11 H7 Br2 F2 N3 O2 -","- C11 H7 Br2 F2 N3 O2 -","- C44 H28 Br8 F8 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0605","0.0327","","","0.0653","0.0721","","","","","","1.033","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208525","11.0013","0.0006","14.5518","0.0005","18.9944","0.001","72.26","0.004","82.475","0.004","70.88","0.004","2734.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H32 Cl6 Er4 O22 -","- C51 H32 Cl6 Er4 O22 -","- C102 H64 Cl12 Er8 O44 -","2","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Two-dimensional decanuclear erbium wheel supported by mixed hemimellitate and 4-chlorobenzoate ligands","CrystEngComm","2012","14","18","6045","","10.1039/c2ce25526j","","","0.71073","MoKα","","0.0526","0.0347","","","0.073","0.0886","","","","","","1.005","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208526","10.5264","0.0013","12.9839","0.0016","14.3384","0.0017","84.637","0.002","69.806","0.002","85.307","0.002","1828.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cl Cu N7 O7 -","- C34 H42 Cl Cu N7 O7 -","- C68 H84 Cl2 Cu2 N14 O14 -","2","1","","Zhou, Hong; Pan, Zhi-Quan; Ni, Wen-Hao; Wei, Lai; Huang, Qi-Mao","Coordination polymers of polyamine and macrocycles controlled by pyridine-containing arms","CrystEngComm","2012","14","19","6306","","10.1039/c2ce25547b","","","0.71073","MoKα","","0.0748","0.0672","","","0.179","0.1848","","","","","","1.065","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208527","15.033","0.002","8.0189","0.0012","23.103","0.004","90","","99.649","0.008","90","","2745.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(4-chloro-anilinium) pentabromocadmate","","","- C18 H21 Br5 Cd Cl3 N3 -","- C18 H21 Br5 Cd Cl3 N3 -","- C72 H84 Br20 Cd4 Cl12 N12 -","4","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1254","0.0538","","","0.0833","0.1023","","","","","","0.994","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208528","4.498","0.0006","6.1858","0.0008","14.4538","0.0018","90.9386","0.0017","94.9448","0.0017","100.039","0.0013","394.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C12 H14 Br2 Cl2 N2 -","2","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1143","0.0741","","","0.1572","0.1803","","","","","","1.102","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208529","6.087","0.004","7.307","0.003","16.041","0.008","90","","109.98","0.03","90","","670.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0374","0.0344","","","0.092","0.0937","","","","","","1.098","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208530","4.995","0.004","11.203","0.007","14.389","0.008","90","","94.44","0.04","90","","802.8","0.9","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0758","0.0471","","","0.0884","0.0974","","","","","","1.1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208531","18.938","0.019","11.841","0.011","4.309","0.006","90","","90","","90","","966.3","1.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1362","0.0764","","","0.1836","0.21","","","","","","1.18","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208532","7.619","0.014","7.888","0.011","8.147","0.009","65.33","0.09","66.81","0.08","72.58","0.1","403.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C14 H18 N2 O6 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1378","0.0746","","","0.1674","0.191","","","","","","1.134","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208533","15.8517","0.0005","11.2658","0.0004","34.8339","0.0009","90","","90","","90","","6220.7","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C64 H44 N8 O16 Zn2 -","- C64 H44 N8 O16 Zn2 -","- C256 H176 N32 O64 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0925","0.0671","","","0.1621","0.1824","","","","","","0.983","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208534","10.9501","0.0004","20.6804","0.0009","21.8474","0.0009","90","","94.217","0.002","90","","4934","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C198 H162 N26 O50 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0775","0.0572","","","0.1298","0.1448","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208535","10.1561","0.0006","10.2773","0.0006","14.489","0.0009","85.432","0.004","72.012","0.003","83.56","0.003","1427.7","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O11 -","- C26 H20 Cd N4 O11 -","- C52 H40 Cd2 N8 O22 -","2","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0381","0.0317","","","0.0768","0.0793","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208536","8.2505","0.0009","30.086","0.003","10.3031","0.0011","90","","99.913","0.001","90","","2519.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C104 H80 Cd4 N16 O32 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0393","0.0377","","","0.0865","0.0875","","","","","","1.248","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208537","8.9846","0.0005","22.9562","0.0011","24.0229","0.0012","90","","90","","90","","4954.8","0.4","123","2","123","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C31 H46 Fe N8 O8 S2 -","- C31 H24 Fe N8 O8 S2 -","- C124 H96 Fe4 N32 O32 S8 -","4","0.25","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0668","0.0459","","","0.1213","0.127","","","","","","0.913","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208538","16.5531","0.0009","11.7181","0.0007","17.4935","0.0008","90","","103.372","0.005","90","","3301.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Fe N6 O6 S2 -","- C29 H30 Fe N6 O6 S2 -","- C116 H120 Fe4 N24 O24 S8 -","4","0.5","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0396","0.0312","","","0.0816","0.0843","","","","","","1.051","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208539","46.8185","0.0015","46.8185","0.0015","9.4253","0.0003","90","","90","","120","","17892.1","1","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C10 H47.66667 Cl4 N11 O25.33333 Pd Pt -","- C10 H29 Cl4 N11 O25.3333 Pd Pt -","- C180 H522 Cl72 N198 O456 Pd18 Pt18 -","18","1","","Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz","Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization","CrystEngComm","2012","14","19","6178","","10.1039/c2ce25647a","","","0.71073","MoKα","","0.1222","0.054","","","0.119","0.128","","","","","","0.981","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7208540","23.2241","0.0018","15.7921","0.0007","20.0361","0.0011","90","","102.581","0.006","90","","7171.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Mn N6 O8 -","- C92 H70 Mn N6 O8 -","- C368 H280 Mn4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1332","0.0652","","","0.1738","0.1923","","","","","","0.929","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208541","23.155","0.004","15.844","0.005","20.126","0.006","90","","102.761","0.005","90","","7201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Cd N6 O8 -","- C92 H70 Cd N6 O8 -","- C368 H280 Cd4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.0883","0.0613","","","0.1513","0.1654","","","","","","0.932","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208542","15.277","0.003","22.74","0.003","21.277","0.003","90","","93.441","0.014","90","","7378","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 N6 Ni O8 -","- C92 H70 N6 Ni O8 -","- C368 H280 N24 Ni4 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.2101","0.0867","","","0.2079","0.2524","","","","","","0.991","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208543","17.132","0.0004","17.132","0.0004","29.2524","0.0009","90","","90","","120","","7435.5","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H94 Co N6 O12 -","- C120 H94.02 Co N6 O12 -","- C360 H282.06 Co3 N18 O36 -","3","0.333333","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1256","0.0941","","","0.2323","0.2411","","","","","","1.198","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208544","18.392","0.0003","18.966","0.0003","15.866","0.0003","90","","90","","90","","5534.42","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C62 H74 Co N6 O10 -","- C62 H74 Co N6 O10 -","- C248 H296 Co4 N24 O40 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0761","0.0395","","","0.1093","0.1156","","","","","","0.881","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208545","16.772","0.004","17.601","0.003","19.969","0.005","90","","91.723","0.005","90","","5892","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C130 H140 N12 O17 Zn2 -","- C130 H114 N12 O17 Zn2 -","- C260 H228 N24 O34 Zn4 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1758","0.0666","","","0.1612","0.1846","","","","","","0.812","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208546","14.767","0.003","17.448","0.004","17.88","0.008","116.355","0.004","96.267","0.003","102.994","0.005","3905","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H146 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0928","0.0448","","","0.1046","0.1124","","","","","","0.844","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208547","14.772","0.005","17.442","0.004","17.887","0.006","115.964","0.002","96.529","0.007","103.069","0.005","3915","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H144 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0599","0.0399","","","0.1066","0.1109","","","","","","0.921","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208548","10.788","0.003","18.229","0.006","21.761","0.007","90","","98.766","0.004","90","","4229","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 Co4 Na2 O39 -","- C72 H74 Co4 Na2 O39 -","- C144 H148 Co8 Na4 O78 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0475","","","0.1418","0.1507","","","","","","0.96","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208549","9.724","0.003","18.516","0.005","17.637","0.006","90","","99.769","0.005","90","","3129.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Cu3 Na2 O24 -","- C72 H56 Cu3 Na2 O24 -","- C144 H112 Cu6 Na4 O48 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0376","","","0.0785","0.0829","","","","","","0.821","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208550","53.477","0.0008","10.565","0.0003","38.155","0.0013","90","","95.734","0.002","90","","21449.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H264 Cu7 Na4 O61 -","- C208 H256 Cu7 Na4 O61 -","- C832 H1024 Cu28 Na16 O244 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1118","0.0486","","","0.0946","0.1011","","","","","","0.864","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208551","24.2387","0.0006","25.4087","0.0007","18.6362","0.0005","90","","97.552","0.002","90","","11378","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Na O16 Zn2 -","- C52 H39 Na O16 Zn2 -","- C416 H312 Na8 O128 Zn16 -","8","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.135","0.0619","","","0.1593","0.177","","","","","","0.823","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208552","10.957","0.005","12.644","0.004","21.49","0.003","86.158","0.004","82.931","0.006","67.84","0.007","2735.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H122 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1052","0.0588","","","0.1377","0.1471","","","","","","0.908","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208553","5.7447","0.0001","16.4119","0.0002","32.229","0.0005","90","","90","","90","","3038.6","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0418","0.0294","","","0.063","0.0657","","","","","","1.078","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208554","9.444","0.0003","10.8391","0.0004","11.7728","0.0004","111.084","0.002","110.207","0.002","97.956","0.002","1006.63","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-diiodotetrafluorobenzene 1/1","","- C19 H13 F4 I2 O P -","- C19 H13 F4 I2 O P -","- C38 H26 F8 I4 O2 P2 -","2","1","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0447","0.0338","","","0.0819","0.0892","","","","","","1.039","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208555","5.7074","0.0001","16.4007","0.0002","31.869","0.0005","90","","90","","90","","2983.11","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-dibromotetrafluorobenzene 2/1","","- C32 H26 Br2 F4 O2 P2 -","- C32 H26 Br2 F4 O2 P2 -","- C128 H104 Br8 F16 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0419","0.0327","","","0.0718","0.0754","","","","","","1.063","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208556","6.2187","0.0003","11.6168","0.0007","5.7876","0.0005","90","","93.61","0.03","90","","417.27","0.05","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-diiodotetrafluorobenzene","1,4-diiodotetrafluorobenzene","","- C6 F4 I2 -","- C6 F4 I2 -","- C12 F8 I4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0393","0.0313","","","0.0773","0.083","","","","","","1.048","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208557","11.5465","0.0002","5.834","0.0001","24.7421","0.0005","90","","91.269","0.001","90","","1666.28","0.05","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mdppo)2(ofib)","","","- C30 H26 F8 I2 O2 P2 -","- C30 H26 F8 I2 O2 P2 -","- C60 H52 F16 I4 O4 P4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0514","0.0255","","","0.0463","0.0474","","","","","","0.849","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208558","9.6579","0.0016","10.1549","0.0018","10.6914","0.0016","106.576","0.002","107.444","0.003","110.66","0.004","841.4","0.2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Eu N2 O9 -","- C14 H17 Eu N2 O9 -","- C28 H34 Eu2 N4 O18 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0287","0.028","","","0.0677","0.0685","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208559","9.642","0.006","10.142","0.007","10.654","0.007","106.388","0.006","107.72","0.005","110.452","0.002","837.1","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Tb -","- C14 H13 N2 O9 Tb -","- C28 H26 N4 O18 Tb2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0806","0.0841","","","","","","1.038","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208560","9.63","0.003","10.182","0.003","10.687","0.003","106.573","0.003","107.2","","110.615","0.002","843.4","0.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Sm -","- C14 H13 N2 O9 Sm -","- C28 H26 N4 O18 Sm2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0332","0.0302","","","0.0766","0.0806","","","","","","1.003","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208561","21.6024","0.0008","21.6024","0.0008","11.3824","0.0008","90","","90","","90","","5311.8","0.5","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 Eu N O9.5 -","- C12 H8 Eu N O8.5 -","- C192 H128 Eu16 N16 O136 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0304","0.027","","","0.0593","0.0614","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208562","21.4229","0.0006","21.4229","0.0006","11.3047","0.0006","90","","90","","90","","5188.2","0.3","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Tb -","- C12 H8 N O8.5 Tb -","- C192 H128 N16 O136 Tb16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0315","0.027","","","0.0613","0.0641","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208563","21.5765","0.0004","21.5765","0.0004","11.3469","0.0004","90","","90","","90","","5282.5","0.2","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Sm -","- C12 H8 N O8.5 Sm -","- C192 H128 N16 O136 Sm16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0204","0.0178","","","0.0482","0.0494","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208564","9.762","0.002","13.486","0.003","16.804","0.003","90","","100.04","0.03","90","","2178.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0928","0.0608","","","0.1115","0.123","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208565","9.857","0.002","14.011","0.003","16.884","0.003","90","","100.93","0.03","90","","2289.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cd N4 O4 -","- C27 H20 Cd N4 O4 -","- C108 H80 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0882","0.067","","","0.1045","0.1135","","","","","","1.092","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208566","9.5702","0.0019","14.329","0.003","16.631","0.003","90","","98.75","0.03","90","","2254.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cd N5 O4 -","- C26 H19 Cd N5 O4 -","- C104 H76 Cd4 N20 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0482","0.0423","","","0.0926","0.0959","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208567","9.6647","0.0019","14.032","0.003","16.543","0.003","90","","98.79","0.03","90","","2217.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0407","0.0361","","","0.0863","0.0892","","","","","","1.036","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208568","9.967","0.002","12.179","0.002","15.859","0.003","96.41","0.03","96.96","0.03","104.19","0.03","1832.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cd2 N6 O16 -","- C34 H28 Cd2 N6 O16 -","- C68 H56 Cd4 N12 O32 -","2","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0593","0.0412","","","0.0918","0.104","","","","","","1.069","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208569","29.425","0.006","9.4342","0.0019","20.233","0.004","90","","123.71","0.03","90","","4672","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N4 O7 S -","- C26 H18 Cd N4 O7 S -","- C208 H144 Cd8 N32 O56 S8 -","8","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0473","0.0388","","","0.0858","0.0899","","","","","","1.103","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208570","15.771","0.002","14.711","0.002","8.3852","0.0012","90","","102.485","0.002","90","","1899.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.0418","0.0339","","","0.0931","0.0968","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208571","14.36","0.02","14.75","0.02","8.276","0.013","90","","99.746","0.019","90","","1728","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.1424","0.0804","","","0.1734","0.1915","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208572","4.4592","0.0005","15.3668","0.0011","13.3336","0.0012","90","","90.602","0.008","90","","913.62","0.15","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C38 H34 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.5418","CuKα","","0.0433","0.0364","","","0.0787","0.0834","","","","","","1.024","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208573","8.3845","0.0003","8.9098","0.0004","13.2841","0.0007","83.81","0.004","80.223","0.004","84.612","0.003","969.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O7 -","- C20 H17 N3 O7 -","- C40 H34 N6 O14 -","2","2","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54178","CuKα","","0.0429","0.0378","","","0.1041","0.1161","","","","","","1.114","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208574","6.2151","0.0003","10.7634","0.0008","15.0123","0.0009","85.26","0.005","87.897","0.005","81.635","0.005","989.86","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O7 -","- C21 H21 N3 O7 -","- C42 H42 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54184","CuKα","","0.0507","0.0398","","","0.0985","0.1077","","","","","","1.029","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208575","10.0239","0.0003","10.0797","0.0003","23.5726","0.0007","77.713","0.002","79.766","0.002","88.768","0.002","2289.82","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C60 H63 N12 O53 P12 Zn10 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Sun, Gong-ming; Song, Yu-mei; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-zun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","[Zn5(PO4)(HPO4)4(Hbpy)2(bpy)][H2PO4]·H2O: a novel inorganic‒organic metal-phosphate framework showing an unprecedented (3,4)-connected (4·62)6(4·62·103)2(64·102)2 topology and the coexistence of various phosphates","CrystEngComm","2012","14","18","5730","","10.1039/c2ce25730k","","","0.71073","MoKα","","0.0576","0.0527","","","0.1118","0.1142","","","","","","1.149","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208576","15.158","0.005","12.517","0.004","7.44","0.002","90","","93.12","0.03","90","","1409.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cd Cl2 N O6 -","- C9 H13 Cd Cl2 N O6 -","- C36 H52 Cd4 Cl8 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0517","0.0413","","","0.1009","0.1071","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208577","8.012","0.002","12.51","0.006","14.753","0.006","90","","90","","90","","1478.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Br2 Cd N O6 -","- C9 H13 Br2 Cd N O6 -","- C36 H52 Br8 Cd4 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0832","0.0605","","","0.124","0.1401","","","","","","1.026","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208578","7.763","0.002","12.938","0.005","17.221","0.007","72.48","0.02","87.107","0.016","86.201","0.017","1644.9","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","chlortalidone Form IV","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl) benzenesulfonamide chloroform solvate","","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","1","0.5","","Martins, Felipe T.; de abreu, Polyana J.; Azarias, Lilian C.; Villis, Paulo C. M.; de Campos Melo, Ariane C.; Ellena, Javier; Doriguetto, Antônio C.","Form III-like conformation and Form I-like packing in a chloroform channel solvate of the diuretic drug chlortalidone","CrystEngComm","2012","14","19","6173","","10.1039/c2ce25766a","","","0.71073","MoKα","","0.1793","0.0659","","","0.1306","0.1536","","","","","","1.04","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208579","8.964","0.007","30.082","0.005","9.428","0.006","90","","115.94","0.05","90","","2286","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Perphenazine fumarate","","","- C23 H28 Cl N3 O3 S -","- C23 H28 Cl N3 O3 S -","- C92 H112 Cl4 N12 O12 S4 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo","Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution","CrystEngComm","2012","14","18","6035","","10.1039/c2ce25846c","","","0.71073","MoKα","","0.1151","0.0844","","","0.2414","0.2664","","","","","","1.084","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208580","7.138","0.003","21.173","0.009","8.531","0.004","90","","98.715","0.007","90","","1274.4","1","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0753","","","","0.2018","","","","","","1.002","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208581","18.328","0.005","6.5775","0.0014","22.617","0.006","90","","110.443","0.004","90","","2554.8","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C104 H128 N16 O32 -","8","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.048","","","","0.1794","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208582","10.153","0.006","8.109","0.004","12.906","0.008","90","","110.708","0.006","90","","993.9","1","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0419","","","","0.1316","","","","","","1.009","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208583","11.91","0.04","7.938","0.005","13.481","0.011","90","","107.32","0.04","90","","1217","4","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0756","","","","0.213","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208584","11.4332","0.0006","8.6325","0.0005","13.0666","0.0007","90","","109.37","0.001","90","","1216.64","0.12","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71069","MoKα","","","0.0442","","","","0.1262","","","","","","1.203","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208585","10.5351","0.0016","8.1715","0.0013","14.384","0.003","90","","109.536","0.002","90","","1167","0.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C44 H44 I4 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71073","MoKα","","","0.0453","","","","0.1181","","","","","","1.06","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208586","7.6978","0.0016","17.25","0.004","14.089","0.003","90","","93.102","0.003","90","","1868.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O7 Zn -","- C19 H18 N2 O7 Zn -","- C76 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.0593","0.0442","","","0.1211","0.132","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208587","12.8165","0.0015","8.8463","0.001","16.94","0.002","90","","102.31","0.002","90","","1876.5","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19.5 H15 N2 O5 Zn -","- C19.5 H12 N2 O5 Zn -","- C78 H48 N8 O20 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.1","0.0647","","","0.1399","0.1556","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208588","26.54","0.005","26.54","0.005","26.54","0.005","90","","90","","90","","18694","6","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H4 O5 Zn -","- C6 H2 O5 Zn -","- C288 H96 O240 Zn48 -","48","0.25","","Song, Xiaokai; Jeong, Seok; Kim, Dongwook; Lah, Myoung Soo","Transmetalations in two metal‒organic frameworks with different framework flexibilities: Kinetics and core‒shell heterostructure","CrystEngComm","2012","14","18","5753","","10.1039/c2ce26115d","","","0.71069","MoKα","","0.0649","0.0622","","","0.1882","0.1918","","","","","","1.125","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208638","7.5319","0.0008","15.1775","0.0019","15.61","0.002","90","","98.919","0.003","90","","1762.9","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N6 O5 -","- C17 H18 N6 O5 -","- C68 H72 N24 O20 -","4","1","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0681","0.0405","","","0.0933","0.1084","","","","","","1.038","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208639","17.5387","0.0003","13.3386","0.0002","7.8738","0.0001","90","","99.12","0.001","90","","1818.72","0.05","180","2","180","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17.5 H15 N6 O7.25 -","- C17.5 H11 N6 O7.25 -","- C70 H44 N24 O29 -","4","0.5","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0537","0.0484","","","0.1498","0.1617","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208640","3.6687","0.0017","9.932","0.005","10.204","0.005","114.093","0.004","98.647","0.005","97.244","0.005","328.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0281","0.0262","","","0.0697","0.0712","","","","","","1.141","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208641","3.642","0.0012","9.706","0.003","10.459","0.003","109.23","0.003","100.133","0.003","99.271","0.003","333.96","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0865","0.0931","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208642","3.7117","0.0017","9.871","0.004","10.44","0.007","116.081","0.007","97.186","0.007","97.626","0.005","333.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0649","0.0441","","","0.1147","0.1267","","","","","","1.026","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208643","20.376","0.002","13.5114","0.0013","4.39","0.0004","90","","90","","90","","1208.6","0.2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Li5 O14 Rb2 -","- B7 Li5 O14 Rb2 -","- B28 Li20 O56 Rb8 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Dong, Xiaoyu; Su, Xin; Yang, Zhihua; Zhang, Min; Zhao, Wenwu; Chen, Zhaohui","Li5Rb2B7O14: a new congruently melting compound with two kinds of B‒O one-dimensional chains and short UV absorption edge","CrystEngComm","2012","14","20","6720","","10.1039/c2ce06742k","","","0.71073","MoKα","","0.0265","0.0248","","","0.0588","0.0592","","","","","","1.069","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208644","14.0268","0.0008","17.7897","0.001","5.0012","0.0003","90","","90","","90","","1247.96","0.12","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C30 H32 N4 O14 -","- C28 H20 N4 O13 -","- C56 H40 N8 O26 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0574","0.0567","","","0.1639","0.1649","","","","","","1.132","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208645","17.7028","0.0017","13.9075","0.0014","5.009","0.0005","90","","90","","90","","1233.2","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C22 H14 N4 O9 -","- C22 H14 N4 O9 -","- C44 H28 N8 O18 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0484","0.0469","","","0.1459","0.1477","","","","","","1.109","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208646","10.5968","0.0004","12.7228","0.0005","13.1435","0.0005","108.784","0.001","93.287","0.001","91.004","0.001","1673.67","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N7 O8 -","- C37 H27 N7 O8 -","- C74 H54 N14 O16 -","2","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0625","0.043","","","0.1043","0.1195","","","","","","1.036","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208647","25.1363","0.0018","14.3111","0.0011","15.8025","0.0012","90","","94.313","0.002","90","","5668.5","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 O10 S2 -","- C26 H24 N4 O10 S2 -","- C208 H192 N32 O80 S16 -","8","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0638","0.0457","","","0.1077","0.1221","","","","","","1.038","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208648","10.182","0.002","10.773","0.002","20.706","0.004","89.93","0.03","77.78","0.03","62.19","0.03","1950.9","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Mn2 N6 O12 -","- C38 H38 Mn2 N6 O12 -","- C76 H76 Mn4 N12 O24 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0651","","","0.088","0.125","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208649","9.6544","0.0019","20.825","0.004","10.138","0.002","90","","117.47","0.03","90","","1808.5","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O5 -","- C19 H17 Co N3 O5 -","- C76 H68 Co4 N12 O20 -","4","2","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.1267","0.0715","","","0.132","0.1519","","","","","","1.013","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208650","9.194","0.0018","10.167","0.002","10.905","0.002","114.8","0.03","97.6","0.03","102.1","0.03","876.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N3 O4 Zn -","- C19 H15 N3 O4 Zn -","- C38 H30 N6 O8 Zn2 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0905","0.109","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208651","12.055","0.002","13.112","0.003","16.94","0.003","90","","107.21","0.03","90","","2557.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 Cd2 N3 O8 -","- C27 H19 Cd2 N3 O8 -","- C108 H76 Cd8 N12 O32 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0542","0.0476","","","0.1302","0.1349","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208652","9.0247","0.0018","10.475","0.002","12.242","0.002","99.96","0.03","110.61","0.03","106.37","0.03","990.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Mn N3 O6 -","- C20 H21 Mn N3 O6 -","- C40 H42 Mn2 N6 O12 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0454","","","0.1034","0.1408","","","","","","1.092","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208653","9.536","0.0012","17.804","0.002","11.453","0.0016","90","","90","","90","","1944.5","0.4","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 Co N3 O6 -","- C19 H19 Co N3 O6 -","- C76 H76 Co4 N12 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0595","0.0528","","","0.1404","0.1455","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208654","9.4225","0.0018","17.784","0.004","11.416","0.003","90","","90","","90","","1913","0.8","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 N3 Ni O6 -","- C19 H19 N3 Ni O6 -","- C76 H76 N12 Ni4 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0633","0.0567","","","0.1535","0.1589","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208655","18.662","0.004","20.461","0.004","9.4272","0.0019","90","","90","","90","","3599.7","1.3","295","2","295","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H32 N6 O10 Zn3 -","- C38 H32 N6 O10 Zn3 -","- C152 H128 N24 O40 Zn12 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0781","0.049","","","0.1009","0.1173","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208656","12.129","0.0004","12.7912","0.0004","11.0668","0.0004","90","","90","","90","","1716.95","0.1","478","","478","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-diazabicyclo(2.2.2)octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C48 H104 Br8 N16 -","8","2","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","powder diffraction","","0.5385","synchrotron","","","","","","","","","5.9364","","","","","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208657","7.542","0.004","10.176","0.005","10.161","0.005","90","","90","","90","","779.8","0.7","296","2","296","2","400000","","","","","","","4","C m c 21","C 2c -2","36","dabcoHBr","1,4-diazabicyclo[2.2.2]octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C24 H52 Br4 N8 -","4","0.5","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","","","0.71073","MoKα","","0.0598","0.0449","","","0.0637","0.072","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208658","5.0482","0.001","9.422","0.0019","10.25","0.002","90","","90","","90","","487.53","0.17","295","2","295","2","","","430000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0619","0.0489","","","0.1242","0.1333","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208659","5.0292","0.001","9.3989","0.0019","10.186","0.002","90","","90","","90","","481.48","0.17","295","2","295","2","","","630000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1224","0.1013","","","0.2764","0.3079","","","","","","1.157","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208660","4.9973","0.001","9.4478","0.0019","10.076","0.002","90","","90","","90","","475.72","0.16","295","2","295","2","","","720000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0375","0.0369","","","0.093","0.0935","","","","","","1.09","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208661","4.9467","0.001","9.3791","0.0019","9.834","0.002","90","","90","","90","","456.25","0.16","295","2","295","2","","","970000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0481","0.0451","","","0.1021","0.1045","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208662","5.058","0.001","5.2221","0.001","16.054","0.003","90","","90","","90","","424.04","0.14","295","2","295","2","","","2140000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1265","0.0805","","","0.2045","0.2255","","","","","","1.025","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208663","5.0122","0.001","5.0885","0.001","16.044","0.003","90","","90","","90","","409.2","0.14","295","2","295","2","","","2330000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1301","0.1118","","","0.2797","0.3005","","","","","","1.101","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208664","6.6041","0.0011","19.562","0.004","14.734","0.003","90","","91.627","0.007","90","","1902.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.031","0.0224","","","0.0437","0.0477","","","","","","1.072","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208665","6.6991","0.0009","19.587","0.003","14.9395","0.0019","90","","91.815","0.005","90","","1959.3","0.5","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0389","0.0263","","","0.0507","0.058","","","","","","1.081","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208666","6.5871","0.0001","20.6666","0.0005","15.7822","0.0004","90","","100.013","0.001","90","","2115.75","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0284","0.0238","","","0.0556","0.0579","","","","","","1.076","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208667","6.6678","0.001","20.686","0.004","15.926","0.003","90","","100.359","0.009","90","","2160.9","0.7","260","2","260","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0353","0.0241","","","0.0588","0.0649","","","","","","1.05","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208668","6.5663","0.0005","20.5989","0.0018","15.7624","0.0012","90","","100.392","0.004","90","","2097","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0443","0.0375","","","0.0912","0.0942","","","","","","1.159","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208669","13.3579","0.0005","9.9265","0.0004","18.76","0.0007","90","","106.731","0.002","90","","2382.22","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 -","- C12 H18 N4 -","- C96 H144 N32 -","8","2","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0528","0.0389","","","0.0957","0.1041","","","","","","1.02","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208670","9.27","0.002","6.7304","0.0013","9.71","0.004","90","","107.6","0.04","90","","577.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0984","0.0643","","","0.1434","0.1599","","","","","","1.167","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208671","9.194","0.004","6.653","0.003","9.643","0.009","90","","107.72","0.07","90","","561.9","0.7","296","2","296","2","1700000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.1801","0.1125","","","0.2178","0.2507","","","","","","1.137","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208672","9.059","0.003","6.7868","0.0017","10.543","0.004","90","","108.28","0.03","90","","615.5","0.4","296","2","296","2","1000000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0277","0.0258","","","0.0609","0.0617","","","","","","1.178","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208673","9.04","0.003","6.759","0.0009","10.516","0.003","90","","108.45","0.03","90","","609.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0486","0.0447","","","0.1544","0.1566","","","","","","1.679","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208674","8.879","0.003","6.6161","0.0009","10.328","0.003","90","","108.81","0.03","90","","574.3","0.3","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.059","0.055","","","0.0882","0.0884","","","","","","1.394","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208675","5.2238","0.0006","22.95","0.003","7.402","0.0008","90","","107.64","0.009","90","","845.67","0.18","273","","273","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-BP BF4","4-Bromopyridinium tetrafluoroborate","","- C5 H5 B Br F4 N -","- C5 H5 B Br F4 N -","- C20 H20 B4 Br4 F16 N4 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.087","0.0453","","","0.0995","0.1144","","","","","","1.051","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208676","7.7096","0.0014","6.7687","0.0012","8.5459","0.0015","90","","105.241","0.004","90","","430.27","0.13","89","2","89","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","(3-Brpy)CuF2.2H2O","","","- C5 H8 Br Cu F2 N O2 -","- C5 H8 Br Cu F2 N O2 -","- C10 H16 Br2 Cu2 F4 N2 O4 -","2","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.0235","0.0224","","","0.0615","0.0648","","","","","","1.152","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208677","19.875","0.006","39.36","0.03","4.398","0.004","90","","90","","90","","3440","4","296","2","296","2","80000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1145","0.0994","","","0.2218","0.2367","","","","","","1.291","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208678","19.8523","0.0003","39.3437","0.0007","4.4697","0.0001","90","","90","","90","","3491.12","0.11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","1.54178","CuKα","","0.0591","0.0579","","","0.1695","0.1714","","","","","","1.11","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208679","19.659","0.009","38.94","0.04","4.07","0.005","90","","90","","90","","3116","5","293","2","296","2","1200000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1802","0.1266","","","0.2628","0.2861","","","","","","1.224","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208680","6.0152","0.0011","12.442","0.002","29.838","0.006","90","","90","","90","","2233.1","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.1045","0.0559","","","0.1145","0.1322","","","","","","0.799","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208681","6.037","0.002","11.169","0.004","16.091","0.006","90","","95.612","0.004","90","","1079.8","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O7 -","- C20 H29 N3 O7 -","- C40 H58 N6 O14 -","2","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1451","","","","","","1.108","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208682","18.6069","0.0011","19.1286","0.0009","24.0604","0.0014","91.308","0.002","91.075","0.003","94.282","0.004","8535.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(H2O))8(W(CN)8)6). 11.8 H2O","{Ni[Ni(bpy)(H2O)]8[W(CN)8]6}. 11.8 H2O","","- C128 H103.6 N64 Ni9 O19.8 W6 -","- C128 H64 N64 Ni9 O19.8 W6 -","- C256 H128 N128 Ni18 O39.6 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0803","0.0471","","","0.1016","0.1144","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208683","18.4747","0.0011","18.5055","0.0012","27.732","0.002","84.222","0.003","85.211","0.004","87.182","0.003","9392.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(solv))8(W(CN)8)6).11H2O","{Ni[Ni(bpy)(solv)]8[W(CN)8]6}.11H2O","","- C134.4 H114.8 N64 Ni9 O19 W6 -","- C134.4 H80 N64 Ni9 O19 W6 -","- C268.8 H160 N128 Ni18 O38 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1432","0.1125","","","0.2804","0.304","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208684","19.195","0.005","19.843","0.005","20.321","0.005","93.918","0.005","111.191","0.005","115.588","0.005","6273","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.0652","0.0421","","","0.1057","0.1176","","","","","","1.028","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208685","18.9503","0.0002","19.5178","0.0002","20.1197","0.0002","93.128","0.001","112.145","0.001","115.236","0.001","6025.51","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0696","0.0537","","","0.1443","0.1594","","","","","","1.071","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208686","19.12","0.005","19.474","0.005","19.769","0.005","100.32","0.005","105.23","0.005","118.465","0.005","5828","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1326","0.0684","","","0.1445","0.177","","","","","","1.054","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208687","19.899","0.005","20.113","0.005","31.475","0.005","89.305","0.005","90.024","0.005","73.132","0.005","12054","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H89 N65 Ni9 O12 W6 -","- C148 H89 N65 Ni9 O12 W6 -","- C296 H178 N130 Ni18 O24 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1964","0.0955","","","0.2047","0.2551","","","","","","1.048","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208688","20.2904","0.0002","20.3359","0.0002","21.3903","0.0003","105.6","","111.614","0.001","98.081","0.001","7615.02","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dtbpy)(H2O))8(W(CN)8)6)*17H2O","{Ni[Ni(4,4'dtbpy)(H2O)]8[W(CN)8]6}*17H2O","","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1047","0.054","","","0.123","0.1534","","","","","","1.067","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208689","11.582","0.002","15.457","0.003","14.73","0.003","90","","92.69","0.03","90","","2634.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl4 Hg2 N6 -","- C22 H18 Cl4 Hg2 N6 -","- C88 H72 Cl16 Hg8 N24 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1114","0.0609","","","0.1001","0.1133","","","","","","1.155","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208690","8.2037","0.0016","11.926","0.002","14.227","0.003","88.07","0.03","82.43","0.03","87.89","0.03","1378.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br4 Hg2 N6 -","- C22 H18 Br4 Hg2 N6 -","- C44 H36 Br8 Hg4 N12 -","2","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1123","0.0748","","","0.1744","0.1947","","","","","","1.127","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208691","8.6931","0.0017","12.727","0.003","13.158","0.003","90","","93.54","0.03","90","","1453","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Hg I2 N3 -","- C11 H9 Hg I2 N3 -","- C44 H36 Hg4 I8 N12 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1007","0.0793","","","0.1845","0.1978","","","","","","1.172","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208692","6.8912","0.0014","12.082","0.002","13.372","0.003","109.97","0.03","100.51","0.03","103.88","0.03","972.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C42 H34 Na2 O12 -","2","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.1643","0.0461","","","0.092","0.1309","","","","","","0.765","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208693","5.8402","0.0012","14.499","0.003","22.136","0.004","90","","97.18","0.03","90","","1859.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.0723","0.0411","","","0.0983","0.1173","","","","","","0.949","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208694","11.7485","0.001","11.7636","0.0012","16.8054","0.0018","73.176","0.005","89.985","0.007","89.854","0.007","2223.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 N2 O18.5 S4 U -","- C36 H44 N2 O18.5 S4 U -","- C72 H88 N4 O37 S8 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.102","0.0899","","","0.2138","0.2207","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208695","11.6416","0.0011","32.87","0.003","12.0455","0.001","90","","90.578","0.006","90","","4609.1","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H100 Ce2 O64 S8 U -","- C56 H40 Ce2 O64 S8 U -","- C112 H80 Ce4 O128 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0899","0.0756","","","0.1803","0.1886","","","","","","1.029","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208696","11.9431","0.0002","19.8987","0.0004","20.4792","0.0004","71.2552","0.0009","78.0759","0.001","77.8533","0.0008","4454.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H97 Eu2 O62.5 S8 U -","- C56 H46 Eu2 O62.5 S8 U -","- C112 H92 Eu4 O125 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0737","0.0594","","","0.1518","0.1587","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208697","9.7419","0.0006","18.752","0.0008","32.0657","0.0015","90","","96.542","0.005","90","","5819.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52.5 Co2 N8 O16.25 -","- C50 H42 Co2 N8 O16.25 -","- C200 H168 Co8 N32 O65 -","4","1","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.1606","0.081","","","0.1685","0.1965","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208698","9.8633","0.0003","16.4409","0.0006","18.2187","0.0006","90","","94.197","0.003","90","","2946.45","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C103 H102 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","1","0.25","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.0774","0.0595","","","0.1613","0.1755","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208699","8.4363","0.0004","5.3754","0.0002","25.8792","0.0012","90","","90","","90","","1173.58","0.09","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Li2 O5 -","- C14 H8 Li2 O5 -","- C56 H32 Li8 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0618","0.036","","","0.0819","0.0884","","","","","","1.018","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208700","29.1055","0.0012","5.7959","0.0002","7.697","0.0003","90","","92.448","0.002","90","","1297.24","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H10 Na2 O6 -","- C14 H10 Na2 O6 -","- C56 H40 Na8 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0391","0.0321","","","0.0705","0.0748","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208701","6.0308","0.0002","28.4845","0.0011","7.0345","0.0003","90","","90","","90","","1208.42","0.08","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 K O5 -","- C14 H9 K O5 -","- C56 H36 K4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0461","0.0343","","","0.0899","0.0946","","","","","","1.041","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208702","6.3248","0.0002","28.4469","0.0009","7.0194","0.0002","90","","90","","90","","1262.94","0.07","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 O5 Rb -","- C14 H9 O5 Rb -","- C56 H36 O20 Rb4 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0431","0.0273","","","0.0679","0.0733","","","","","","1.075","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208703","6.7477","0.0001","28.4272","0.0003","7.0986","0.0001","90","","90","","90","","1361.64","0.03","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cs O5 -","- C14 H9 Cs O5 -","- C56 H36 Cs4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0373","0.0291","","","0.0727","0.0762","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208704","14.0657","0.0008","10.0353","0.0006","10.2031","0.0006","90","","105.474","0.003","90","","1388","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mg O7 -","- C14 H12 Mg O7 -","- C56 H48 Mg4 O28 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.1185","0.0777","","","0.2269","0.2446","","","","","","1.093","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208705","5.633","0.0001","28.9079","0.0005","7.8516","0.0001","90","","95.517","0.001","90","","1272.62","0.04","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0288","0.0258","","","0.0709","0.0731","","","","","","1.044","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208706","29.3128","0.0011","6.3013","0.0002","7.0793","0.0003","90","","90","","90","","1307.61","0.08","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0439","0.0342","","","0.0705","0.0723","","","","","","1.059","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208707","18.5081","0.0005","18.5081","0.0005","13.2016","0.0009","90","","90","","90","","4522.2","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H32 Cd Cu2 N4 O8 -","- C48 H32 Cd Cu2 N4 O8 -","- C192 H128 Cd4 Cu8 N16 O32 -","4","0.25","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Deliberate design of a neutral heterometallic organic framework containing a record 25-fold interpenetrating diamondoid network","CrystEngComm","2012","14","20","6359","","10.1039/c2ce25605c","","","0.71073","MoKα","","0.0662","0.0513","","","0.1596","0.1712","","","","","","1.089","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208708","12.5886","0.0006","12.5886","0.0006","9.218","0.0004","90","","90","","120","","1265.09","0.1","93.1","","93.1","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0616","","","","0.1822","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208709","12.6333","0.0005","12.6333","0.0005","9.258","0.0004","90","","90","","120","","1279.62","0.09","293","","293","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0618","","","","0.1905","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208710","5.8719","0.0012","8.9749","0.0018","9.2191","0.0018","78.23","0.03","78.19","0.03","88.73","0.03","465.46","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0343","0.0315","","","0.078","0.0918","","","","","","1.137","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208711","21.4812","0.0008","5.8879","0.0001","27.0285","0.0008","90","","98.74","0.003","90","","3378.85","0.17","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 Br Cd3 N9 S7 -","- C20 H28 Br Cd3 N9 S7 -","- C80 H112 Br4 Cd12 N36 S28 -","4","1","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0427","0.0365","","","0.0932","0.0965","","","","","","1.038","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208712","11.893","0.002","18.214","0.004","7.3355","0.0015","90","","98.32","0.03","90","","1572.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cd N4 S2 -","- C12 H10 Br2 Cd N4 S2 -","- C48 H40 Br8 Cd4 N16 S8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0306","0.0284","","","0.0689","0.0699","","","","","","1.164","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208713","5.8239","0.0012","9.2118","0.0018","11.001","0.002","105.22","0.03","104.66","0.03","102.32","0.03","525.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0217","0.0203","","","0.0501","0.0506","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208714","7.6572","0.0015","18.782","0.004","8.4532","0.0017","90","","90","","90","","1215.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0168","0.0158","","","0.0378","0.0381","","","","","","1.179","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208715","25.409","0.005","5.9049","0.0012","14.194","0.003","90","","107.94","0.03","90","","2026.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cd N6 S4 -","- C14 H22 Cd N6 S4 -","- C56 H88 Cd4 N24 S16 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0318","0.0259","","","0.0566","0.0585","","","","","","1.123","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208716","18.232","0.003","10.8471","0.0017","18.894","0.003","90","","108.711","0.003","90","","3539.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N6 O10 Zn2 -","- C33 H38 N6 O10 Zn2 -","- C132 H152 N24 O40 Zn8 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0671","0.0567","","","0.1475","0.1567","","","","","","0.914","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208717","9.695","0.002","18.427","0.004","12.52","0.003","90","","106.434","0.004","90","","2145.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N4 O7 Zn -","- C19 H25 N4 O7 Zn -","- C76 H100 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0725","0.0571","","","0.1441","0.1547","","","","","","1.023","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208718","7.1354","0.0004","30.7781","0.0016","9.8145","0.0005","90","","102.696","0.002","90","","2102.7","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0222","0.0214","","","0.0445","0.0447","","","","","","1.321","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208719","13.513","0.001","15.5802","0.0011","20.9805","0.0016","90","","90","","90","","4417.1","0.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C144 H240 N32 O48 W8 -","8","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0421","0.0293","","","0.0785","0.0912","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208720","7.0702","0.0002","23.5538","0.0007","13.0177","0.0004","90","","98.18","0.001","90","","2145.78","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C72 H120 N16 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0256","0.024","","","0.0629","0.0639","","","","","","1.144","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208721","11.4027","0.0003","23.4885","0.0006","22.6238","0.0005","90","","90","","90","","6059.4","0.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C64 H60 N8 Ni O3 -","- C64 H60 N8 Ni O3 -","- C256 H240 N32 Ni4 O12 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0642","0.0489","","","0.1211","0.125","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208722","11.6264","0.0002","24.3482","0.0003","22.2375","0.0003","90","","90","","90","","6295.03","0.16","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C68 H68 Cl4 N8 Ni2 O2 -","- C68 H68 Cl4 N8 Ni2 O2 -","- C272 H272 Cl16 N32 Ni8 O8 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0452","0.0372","","","0.0908","0.093","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208723","11.4808","0.0002","23.4663","0.0004","22.5673","0.0004","90","","90","","90","","6079.9","0.18","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C64 H62.8 Br2 N8 Ni O3.4 -","- C64 H56 Br2 N8 Ni O3.4 -","- C256 H224 Br8 N32 Ni4 O13.6 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0933","0.078","","","0.2007","0.2135","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208724","11.1951","0.0002","29.4448","0.0004","18.0834","0.0003","90","","96.759","0.002","90","","5919.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.8 H67.2 N10 Ni O8.8 -","- C66.8 H67.2 N10 Ni O8.8 -","- C267.2 H268.8 N40 Ni4 O35.2 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0937","0.049","","","0.1029","0.1101","","","","","","0.927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208725","23.7034","0.0005","11.7726","0.0003","22.0772","0.0007","90","","90","","90","","6160.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H62 Cl2 N8 Ni O9 -","- C67 H62 Cl N8 Ni O5 -","- C268 H248 Cl4 N32 Ni4 O20 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0624","0.0573","","","0.1542","0.1606","","","","","","1.024","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208726","15.7526","0.0005","19.9434","0.0007","19.9541","0.0008","116.937","0.004","103.576","0.003","93.729","0.003","5325.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H98.7 Cl6 N16 Ni3 O1.35 -","- C120 H96 Cl6 N16 Ni3 O1.35 -","- C240 H192 Cl12 N32 Ni6 O2.7 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0986","0.0454","","","0.0784","0.0863","","","","","","0.94","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208727","12.2832","0.0004","15.2035","0.0006","19.4459","0.0006","69.188","0.003","82.117","0.002","68.905","0.003","3166.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.4 H62.1 Br2 N12.7 Ni -","- C69.4 H62.1 Br2 N12.7 Ni -","- C138.8 H124.2 Br4 N25.4 Ni2 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0892","0.0443","","","0.0858","0.0903","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208728","23.8271","0.0007","11.3058","0.0004","23.1922","0.0008","90","","90","","90","","6247.6","0.4","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C66 H61.6 I2 N8 Ni O2.8 -","- C66 H60 I2 N8 Ni O2.8 -","- C264 H240 I8 N32 Ni4 O11.2 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0463","0.0423","","","0.1158","0.1183","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208729","11.4752","0.0003","22.951","0.0005","22.8593","0.0005","90","","90","","90","","6020.4","0.2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C64 H64 N10 Ni O10 -","- C64 H60 N10 Ni O10 -","- C256 H240 N40 Ni4 O40 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0582","0.0434","","","0.1067","0.1114","","","","","","0.996","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208730","13.1954","0.0007","23.8866","0.001","11.2041","0.0007","90","","114.105","0.007","90","","3223.5","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C136.8 H129.6 Cl4 N16 Ni2 O21.6 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0955","0.0875","","","0.2353","0.2476","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208731","17.4689","0.0004","8.7125","0.0002","18.7322","0.0004","90","","90","","90","","2851","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cl2 N4 Ni -","- C32 H28 Cl2 N4 Ni -","- C128 H112 Cl8 N16 Ni4 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0665","0.0328","","","0.0608","0.0653","","","","","","0.846","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208732","28.6711","0.0003","28.6711","0.0003","14.0797","0.0002","90","","90","","90","","11574","0.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Ni -","- C32 H28 Br2 N4 Ni -","- C512 H448 Br32 N64 Ni16 -","16","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0334","0.0251","","","0.0454","0.0461","","","","","","0.902","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208733","6.0809","0.0003","7.3878","0.0005","16.0562","0.001","100.554","0.006","98.892","0.005","94.548","0.005","696.28","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","1","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0742","0.0725","","","0.1905","0.191","","","","","","1.065","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208734","9.995","0.002","11.41","0.003","11.572","0.003","87.877","0.004","88.749","0.004","83.876","0.003","1311.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C60 H52 Cd2 N8 O8 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.0489","0.0382","","","0.0961","0.1043","","","","","","1.032","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208735","10.237","0.012","11.827","0.014","14.256","0.016","91.67","0.02","109.35","0.02","103.26","0.02","1575","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Br4 N4 O4 Zn -","- C30 H22 Br4 N4 O4 Zn -","- C60 H44 Br8 N8 O8 Zn2 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.1194","0.0532","","","0.1195","0.1523","","","","","","0.887","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208736","16.4467","0.0011","7.9431","0.0004","26.0004","0.0019","90","","90","","90","","3396.6","0.4","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C19 H23 N2 S2 -","- C19 H23 N2 S2 -","- C152 H184 N16 S16 -","8","","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1661","0.1384","","","0.3609","0.3854","","","","","","1.768","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208737","8.9908","0.0002","8.1469","0.0002","22.5487","0.0006","90","","90.993","0.001","90","","1651.38","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 S2 -","- C18 H22 N2 S2 -","- C72 H88 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0648","0.0423","","","0.0939","0.103","","","","","","1.031","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208738","8.6109","0.001","8.8251","0.001","22.832","0.003","90","","91.635","0.002","90","","1734.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N2 O0 S2 -","- C18 H23 N2 S2 -","- C72 H92 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1434","0.0894","","","0.2616","0.3191","","","","","","1.059","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208739","10.4455","0.0004","16.5989","0.0007","11.7361","0.0005","90","","92.14","0.002","90","","2033.43","0.14","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Ag Cl F0 N2 O4 P0 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C72 H88 Ag4 Cl4 N8 O16 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0826","0.0643","","","0.176","0.1881","","","","","","1.028","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208740","22.717","0.003","8.7709","0.001","20.543","0.002","90","","91.765","0.002","90","","4091.2","0.8","173","2","173","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Ag Cl N2 O4 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C144 H176 Ag8 Cl8 N16 O32 S16 -","8","2","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0744","0.0455","","","0.1029","0.1188","","","","","","1.025","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208741","13.4295","0.0007","17.027","0.0009","20.1592","0.0011","90","","90","","90","","4609.7","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Ag Cl N3 O4 S2 -","- C20 H25 Ag Cl N3 O4 S2 -","- C160 H200 Ag8 Cl8 N24 O32 S16 -","8","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0717","0.0631","","","0.1117","0.1143","","","","","","1.344","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208742","33.8229","0.0008","7.4038","0.0002","9.1147","0.0002","90","","90","","90","","2282.48","0.1","173","2","173","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C19 H26 Ag2 N4 O7 S2 -","- C19 H26 Ag2 N4 O7 S2 -","- C76 H104 Ag8 N16 O28 S8 -","4","0.5","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.09","0.0871","","","0.2165","0.218","","","","","","1.208","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208743","8.1769","0.0013","10.2311","0.0016","13.132","0.002","77.649","0.007","83.949","0.008","78.854","0.007","1050.6","0.3","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Hg N4 O6 S2 -","- C18 H22 Hg N4 O6 S2 -","- C36 H44 Hg2 N8 O12 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0412","0.0358","","","0.1128","0.1402","","","","","","0.912","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208744","8.41","0.0008","9.2205","0.001","15.1951","0.0017","90","","93.107","0.005","90","","1176.6","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 Cu N2 O9 S2 -","- C18 H24 Cl2 Cu N2 O9 S2 -","- C36 H48 Cl4 Cu2 N4 O18 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0533","0.052","","","0.1456","0.147","","","","","","1.03","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208745","16.5333","0.0012","10.1786","0.0007","16.9387","0.0012","90","","117.185","0.003","90","","2535.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 N2 O9 Pb S2 -","- C19 H24 Cl2 N2 O9 Pb S2 -","- C76 H96 Cl8 N8 O36 Pb4 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0297","0.0286","","","0.0835","0.0843","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208746","5.48888","0.00009","5.4611","0.00009","24.9512","0.0004","90","","90","","90","","747.92","0.02","298","","298","","","","","","","","","4","A 21 a m","A -2 2a","36","","","","- Bi2.5 Na0.5 Nb2 O9 -","- Bi2.5 Na0.5 Nb2 O9 -","- Bi10 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0768","","","","0.1009","","","1.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208747","5.49254","0.00012","5.47896","0.00013","24.8632","0.0005","90","","90","","90","","748.22","0.03","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb2 O9 -","- Bi2.0002 La0.4996 Na0.5 Nb2 O9 -","- Bi8.0008 La1.9984 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0876","","","","0.1122","","","1.3","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208748","5.48754","0.00008","5.47967","0.00009","24.8523","0.0004","90","","90","","90","","747.31","0.02","298","","298","","","","","","","","","6","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb1.972 O9 W0.023 -","- Bi2 La0.5002 Na0.5001 Nb1.972 O9 W0.024 -","- Bi8 La2.0008 Na2.0004 Nb7.888 O36 W0.096 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0713","","","","0.0914","","","1.31","","","","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208749","11.1768","0.0005","12.2798","0.0007","13.8457","0.0005","92.345","0.004","101.299","0.004","110.315","0.005","1735.26","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0765","0.035","","","0.0391","0.0417","","","","","","0.806","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208750","11.79","0.002","12.562","0.003","13.051","0.003","81.35","0.03","71.88","0.03","72.32","0.03","1747","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.086","0.0772","","","0.1722","0.178","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208751","14.0334","0.0009","14.4092","0.0009","15.3559","0.0009","87.956","0.001","62.931","0.001","72.497","0.001","2618.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0529","0.0418","","","0.0867","0.0939","","","","","","1.075","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208752","10.343","0.0011","10.4839","0.0011","11.3463","0.0012","90","","91.229","0.003","90","","1230.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0534","0.0468","","","0.1211","0.126","","","","","","1.027","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208753","13.218","0.004","5.8309","0.0018","18.241","0.006","90","","108.237","0.015","90","","1335.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O8 -","- C30 H24 N2 O8 -","- C60 H48 N4 O16 -","2","0.5","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0568","0.0372","","","0.0851","0.0983","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208754","13.257","0.003","18.326","0.004","7.1499","0.0014","90","","115.93","0.03","90","","1562.2","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H32 Mg2 O28 S4 -","- C12 H32 Mg2 O28 S4 -","- C24 H64 Mg4 O56 S8 -","2","0.25","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0969","0.0727","","","0.1861","0.2118","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208755","8.2224","0.0016","8.8596","0.0018","10.543","0.002","87.39","0.03","68.54","0.03","77.46","0.03","697.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Ca O12 S2 -","- C6 H12 Ca O12 S2 -","- C12 H24 Ca2 O24 S4 -","2","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0757","0.0742","","","0.0985","0.1237","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208756","12.88","0.003","17.407","0.004","16.87","0.003","90","","90","","90","","3782.3","1.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H21 Ca2 O17.5 S2 -","- C6 H21 Ca2 O17.5 S2 -","- C48 H168 Ca16 O140 S16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0453","0.0433","","","0.1293","0.1306","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7208757","21.868","0.004","17.015","0.003","7.9824","0.0016","90","","93.2","0.03","90","","2965.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O12 S2 Sr -","- C6 H12 O12 S2 Sr -","- C48 H96 O96 S16 Sr8 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0744","0.0595","","","0.1339","0.1457","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208758","19.134","0.004","8.1984","0.0016","19.519","0.004","90","","90","","90","","3061.9","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 O13 S2 Sr2 -","- C6 H12 O13 S2 Sr2 -","- C48 H96 O104 S16 Sr16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0718","0.0576","","","0.1452","0.1568","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208759","19.875","0.004","7.8394","0.0016","8.8456","0.0018","90","","90","","90","","1378.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H12 Ba O12 S2 -","- C6 H12 Ba O12 S2 -","- C24 H48 Ba4 O48 S8 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0318","0.0315","","","0.0745","0.0747","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208760","5.8767","0.0012","16.476","0.003","7.5012","0.0015","90","","94.47","0.03","90","","724.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 Ba O6 S -","- C3 H5 Ba O6 S -","- C12 H20 Ba4 O24 S4 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0312","0.03","","","0.0756","0.0764","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208761","11.2814","0.0012","9.9474","0.0011","13.2863","0.0015","90","","108.784","0.001","90","","1411.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C48 H24 Br8 Cd4 N8 O16 -","4","1","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0423","0.0323","","","0.0723","0.0772","","","","","","1.021","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208762","15.0926","0.0018","16.9747","0.0018","14.44","0.0016","90","","120.52","0.04","90","","3186.9","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","0.5","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0923","0.0669","","","0.204","0.2289","","","","","","1.064","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208763","6.7842","0.0019","7.258","0.002","21.155","0.006","90","","96.751","0.008","90","","1034.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71069","MoKα","","0.0534","0.0525","","","0.1449","0.1454","","","","","","1.153","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208764","13.4975","0.0006","6.642","0.0002","13.5534","0.0006","90","","118.641","0.002","90","","1066.39","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 F N4 O -","- C10 H11 F N4 O -","- C40 H44 F4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0672","0.0541","","","0.1112","0.1202","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208765","13.4984","0.0008","6.6361","0.0004","14.0835","0.0005","90","","118.38","0.003","90","","1109.93","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N4 O -","- C10 H11 Cl N4 O -","- C40 H44 Cl4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0859","0.0483","","","0.1133","0.1332","","","","","","1.019","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208766","13.4204","0.0006","16.5076","0.0007","28.1263","0.0013","90","","90","","90","","6231.1","0.5","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C8 H16 Ag2 N2 O10 -","- C8 H16 Ag2 N2 O10 -","- C128 H256 Ag32 N32 O160 -","16","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0464","0.0365","","","0.0753","0.0785","","","","","","1.07","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208767","16.3286","0.0008","13.4452","0.0005","28.0645","0.0014","90","","90.8","0.004","90","","6160.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C32 H64 Ag8 N8 O40 -","- C32 H64 Ag8 N8 O40 -","- C128 H256 Ag32 N32 O160 -","4","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.0881","0.0973","","","","","","0.865","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208768","12.1262","0.0013","17.6035","0.0016","14.7902","0.0012","90","","93.461","0.008","90","","3151.4","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(24-crown-8) tetrasilver nitrate dihydrate","(24-crown-8) tetrasilver nitrate dihydrate","","- C16 H36 Ag4 N4 O22 -","- C16 H36 Ag4 N4 O22 -","- C64 H144 Ag16 N16 O88 -","4","0.5","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0481","0.036","","","0.0939","0.101","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208769","7.778","0.002","22.865","0.007","16.384","0.005","90","","99.471","0.005","90","","2874.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N3 O8 Zn2 -","- C33 H23 N3 O8 Zn2 -","- C132 H92 N12 O32 Zn8 -","4","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0462","0.0393","","","0.1068","0.1131","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208770","11.697","0.002","14.521","0.003","14.76","0.003","73.646","0.004","73.937","0.005","87.731","0.007","2309.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N4 O15 Zn2 -","- C54 H38 N4 O15 Zn2 -","- C108 H76 N8 O30 Zn4 -","2","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0637","0.045","","","0.0927","0.1","","","","","","0.935","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208771","31.956","0.011","13.755","0.004","16.234","0.006","90","","118.944","0.003","90","","6244","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H35.5 N6 Ni O6.25 -","- C34 H35.5 N6 Ni O6.25 -","- C272 H284 N48 Ni8 O50 -","8","1","","Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","A 2D→3D net with coexistence of polycatenation and polythreading constructed by long rigid and flexible ligands","CrystEngComm","2012","14","20","6397","","10.1039/c2ce25911g","","","0.71073","MoKα","","0.0544","0.0435","","","0.1142","0.1213","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208772","34.628","0.002","18.2216","0.0006","23.1357","0.0018","90","","118.404","0.009","90","","12840.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cd3 Cl3 N5 O21.5 -","- C42 H33 Cd3 Cl3 N5 O15 -","- C336 H264 Cd24 Cl24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1183","0.092","","","0.2796","0.3136","","","","","","1.188","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208773","35.319","0.003","18.2332","0.001","23.452","0.002","90","","120.172","0.01","90","","13056","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 Cd3 N5 O15 -","- C68 H60 Cd3 N5 O15 -","- C544 H480 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0829","0.0694","","","0.1849","0.1926","","","","","","1.094","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208774","34.799","0.002","18.4666","0.0011","23.031","0.002","90","","118.787","0.01","90","","12971","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 Cd3 N5 O23 -","- C48 H40 Cd3 N5 O15 -","- C384 H320 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","1.54184","CuKα","","0.0783","0.0724","","","0.2118","0.2207","","","","","","1.069","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208775","34.0339","0.001","18.7606","0.0004","22.3666","0.0007","90","","116.429","0.004","90","","12788.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 Cd3 N6 O26 -","- C44 H40 Cd3 N6 O16 -","- C352 H320 Cd24 N48 O128 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0976","0.0608","","","0.1555","0.172","","","","","","0.963","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208776","33.943","0.002","18.5224","0.0011","21.2174","0.0018","90","","116.291","0.009","90","","11959.6","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 Cd3 N5 O26 -","- C41 H26 Cd3 N5 O15 -","- C328 H208 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1729","0.1416","","","0.3656","0.3967","","","","","","1.305","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208777","10.635","0.009","15.32","0.013","15.753","0.013","82.79","0.009","73.747","0.009","73.244","0.01","2357","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H58 N8 Nd2 O28 S7 -","- C14 H58 N8 Nd2 O28 S7 -","- C28 H116 N16 Nd4 O56 S14 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0774","0.0529","","","0.1618","0.1796","","","","","","1.184","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208778","9.6036","0.0008","10.449","0.0009","10.5171","0.0009","72.164","0.001","72.66","0.001","75.19","0.001","943.18","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Eu N3 O12 S3 -","- C6 H24 Eu N3 O12 S3 -","- C12 H48 Eu2 N6 O24 S6 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0232","0.0226","","","0.0638","0.0642","","","","","","1.239","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208779","10.9333","0.0009","10.2837","0.0009","31.318","0.003","90","","90","","90","","3521.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Eu N3 O12 S3 -","- C5 H21 Eu N3 O12 S3 -","- C40 H168 Eu8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0371","0.0307","","","0.0789","0.081","","","","","","1.144","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208780","10.9321","0.0017","10.272","0.0016","31.325","0.005","90","","90","","90","","3517.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Gd N3 O12 S3 -","- C5 H21 Gd N3 O12 S3 -","- C40 H168 Gd8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0452","0.0314","","","0.0679","0.0717","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208781","10.919","0.004","10.236","0.003","31.206","0.01","90","","90","","90","","3488","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 N3 O12 S3 Tb -","- C5 H21 N3 O12 S3 Tb -","- C40 H168 N24 O96 S24 Tb8 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0369","0.0261","","","0.0656","0.0703","","","","","","0.978","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208782","9.832","0.005","11.001","0.006","15.288","0.008","70.555","0.006","75.366","0.007","67.367","0.005","1424.4","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Dy2 N4 O20 S5 -","- C8 H32 Dy2 N4 O20 S5 -","- C16 H64 Dy4 N8 O40 S10 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.1083","0.0749","","","0.1834","0.1991","","","","","","1.066","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208783","8.726","0.0018","9.828","0.002","13.475","0.003","99.102","0.002","92.703","0.003","115.764","0.002","1018.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0541","0.0428","","","0.0984","0.1029","","","","","","1.012","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208784","8.734","0.002","9.824","0.003","13.466","0.004","99.028","0.003","92.819","0.003","115.737","0.003","1018.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0307","0.0267","","","0.0596","0.0611","","","","","","1","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208785","8.7375","0.0018","9.817","0.002","13.443","0.003","98.975","0.002","92.892","0.002","115.75","0.002","1016.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0234","0.0221","","","0.0574","0.0579","","","","","","1.199","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208786","8.727","0.004","9.793","0.004","13.407","0.009","99.014","0.007","93.045","0.007","115.736","0.004","1009.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0368","0.0315","","","0.065","0.0669","","","","","","1.024","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208787","8.744","0.01","9.802","0.012","13.444","0.016","99.049","0.013","93.013","0.013","115.786","0.013","1015","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0374","0.0326","","","0.0706","0.0752","","","","","","1.171","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208788","8.7343","0.0006","9.785","0.0007","13.3866","0.0014","98.95","0.001","93.16","0.001","115.715","0.001","1008.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0292","0.0259","","","0.0586","0.0598","","","","","","1.043","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208789","7.6843","0.0005","5.5794","0.0004","9.4459","0.0007","90","","100.949","0.004","90","","397.61","0.05","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-H-Tetrazole, 1-(Phenylmethyl)","1-H-Tetrazole, 1-(Phenylmethyl)","","- C8 H8 N4 -","- C8 H8 N4 -","- C16 H16 N8 -","2","1","","Spencer, John; Patel, Hiren; Deadman, John J.; Palmer, Rex A.; Male, Louise; Coles, Simon J.; Uzoh, Ogaga G.; Price, Sarah L.","The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole","CrystEngComm","2012","14","20","6441","","10.1039/c2ce25940k","","","0.71073","MoKα","","0.0694","0.0447","","","0.0786","0.087","","","","","","1.081","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208790","25.759","0.0008","13.593","0.0004","27.142","0.0008","90","","116.68","","90","","8491.7","0.4","187","2","187","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C224 H224 Ag16 N64 O160 Si4 W48 -","4","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0446","0.0326","","","0.0708","0.0763","","","","","","1.02","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208791","12.5035","0.0004","13.6536","0.0005","14.4885","0.0005","115.173","0.001","91.44","0.001","107.595","0.001","2099.67","0.13","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71073","MoKα","","0.043","0.0335","","","0.0753","0.0803","","","","","","1.046","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208792","15.087","0.0008","15.343","0.0008","26.042","0.0014","95.941","0.001","100.639","0.001","115.479","0.001","5233.5","0.5","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H162.2 Ag7 N32 Na2 O147.6 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0887","0.0555","","","0.1459","0.163","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208793","16.769","0.0006","16.8322","0.0006","21.3485","0.0007","88.713","0.001","82.497","0.001","76.926","0.001","5819.2","0.4","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C140 H140 Ag10 K4 N40 O128 P4 W36 -","2","1","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0564","0.0383","","","0.0967","0.114","","","","","","1.057","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208794","9.613","0.0003","12.409","0.0004","14.163","0.0005","68.306","0.001","76.9","0.001","78.21","","1515.33","0.09","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 Ag2 N8 O47.5 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.035","0.0313","","","0.0797","0.0823","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208795","25.907","0.003","11.9344","0.0012","23.796","0.003","90","","114.356","0.002","90","","6702.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Ag3 N11 O21 -","- C50 H48 Ag3 N11 O17 -","- C200 H192 Ag12 N44 O68 -","4","0.5","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0746","0.0539","","","0.1632","0.1742","","","","","","1.12","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208796","10.0372","0.0009","10.0372","0.0009","17.607","0.004","90","","90","","90","","1773.8","0.5","293","2","293","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C25 H32 Ag2 N6 O14 -","- C25 H32 Ag2 N6 O13 -","- C50 H64 Ag4 N12 O26 -","2","0.25","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0851","0.0789","","","0.1966","0.2046","","","","","","1.148","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208797","10.2262","0.0004","12.7262","0.0005","18.4057","0.0007","108.983","0.002","93.755","0.002","97.731","0.002","2229.16","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H36 Cd2 N6 O12 -","- C49 H36 Cd2 N6 O12 -","- C98 H72 Cd4 N12 O24 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0348","0.0293","","","0.0738","0.084","","","","","","1.166","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208798","9.4363","0.0001","9.4363","0.0001","33.2595","0.0006","90","","90","","90","","2961.55","0.07","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H22 N4 O6 Zn -","- C34 H22 N4 O6 Zn -","- C136 H88 N16 O24 Zn4 -","4","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0458","0.0382","","","0.0661","0.0707","","","","","","1.079","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208799","9.0717","0.0003","9.5953","0.0003","24.5297","0.0009","79.486","0.002","85.167","0.002","88.973","0.002","2091.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 Cd N6 O7 -","- C50 H39 Cd N6 O7 -","- C100 H78 Cd2 N12 O14 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0571","0.0465","","","0.1093","0.1195","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208800","10.6827","0.0002","14.4414","0.0003","14.6757","0.0003","102.886","0.001","99.604","0.001","104.259","0.001","2079.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","1","0.5","","Huang, Hai-xiao; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao","The first 2D→3D polycatenation array built on (3,4)-connected bilayer nets","CrystEngComm","2012","14","23","7861","","10.1039/c2ce26043c","","","0.71073","MoKα","","0.0642","0.0406","","","0.1119","0.1278","","","","","","1.067","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208801","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","Guanidinium Carbamoyldicyanomethanide","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","","0.71073","MoKα","","0.0393","0.036","","","0.0836","0.0869","","","","","","1.108","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208802","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","neutron","","neutron","","0.0413","0.0271","","","0.0543","0.0579","","","","","","0.908","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208803","30.9991","0.001","10.1021","0.0004","20.4318","0.0008","90","","110.727","0.003","90","","5984.2","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 N20 O18 Pb3 -","- C46 H48 N20 O18 Pb3 -","- C184 H192 N80 O72 Pb12 -","4","0.5","","Hashemi, Lida; Morsali, Ali","Reversible crystal-to-crystal transformation in nano-porous three-dimensional lead(ii) MOFs; study of solvent attendance on iodide adsorption affinity","CrystEngComm","2012","14","24","8349","","10.1039/c2ce26056e","","","0.71073","MoKα","","0.1702","0.1076","","","0.2029","0.2286","","","","","","1.114","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208804","10.152","0.003","17.953","0.006","18.062","0.006","90","","94.62","0.01","90","","3281.3","1.8","115","2","388","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H57 Co4 N4 O36 -","- C48 H57 Co4 N4 O35.5 -","- C48 H57 Co4 N4 O35.5 -","1","0.5","","Zou, Yang; Yu, Chaoyong; Li, Yuanyuan; Lah, Myoung Soo","A 3-dimensional coordination polymer with a rare lonsdaleite topology constructed from a tetrahedral ligand","CrystEngComm","2012","14","21","7174","","10.1039/c2ce26109j","","","0.71073","MoKα","","0.1503","0.102","","","0.2662","0.2951","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208805","29.61","0.004","29.61","0.004","9.77","0.002","90","","90","","90","","8566","2","298","2","298","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H38 Cu2 N2 O9 P4 -","- C38 H36 Cu2 N2 O9 P4 -","- C304 H288 Cu16 N16 O72 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","1.5418","CuKα","","0.2049","0.0798","","","0.1724","0.226","","","","","","0.991","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208806","29.573","0.003","29.573","0.003","9.736","0.003","90","","90","","90","","8515","3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H36 Cu2 N2 O8 P4 -","- C38 H36 Cu2 N2 O8 P4 -","- C304 H288 Cu16 N16 O64 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","0.71073","MoKα","","0.0631","0.046","","","0.1085","0.1166","","","","","","1.058","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208807","11.328","0.002","13.975","0.003","18.27","0.003","106.019","0.004","100.171","0.004","102.572","0.003","2625.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H50 Ag4 N14 O18 -","- C47 H50 Ag4 N14 O18 -","- C94 H100 Ag8 N28 O36 -","2","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0828","0.0661","","","0.1228","0.1308","","","","","","1.169","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208808","19.314","0.004","12.146","0.002","17.814","0.004","90","","106.86","0.03","90","","3999.3","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H34 Ag3 N11 O11 -","- C37 H34 Ag3 N11 O11 -","- C148 H136 Ag12 N44 O44 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0344","0.0306","","","0.0657","0.0688","","","","","","1.013","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208809","14.01","0.004","11.38","0.003","18.085","0.005","90","","101.627","0.005","90","","2824.2","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Ag2 N8 O7 -","- C27 H24 Ag2 N8 O7 -","- C108 H96 Ag8 N32 O28 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0994","0.0767","","","0.1979","0.2106","","","","","","1.189","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208810","12.3175","0.0005","13.2596","0.0006","25.4769","0.0011","88.893","0.002","88.152","0.002","79.98","0.002","4095","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","AR-ZZ4 pentyl 4-pyridyl cavitand, 1,4-I2-F4-benzene","","- C88 H82 F8 I4 N6 O8 -","- C88 H82 F8 I4 N6 O8 -","- C176 H164 F16 I8 N12 O16 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.0806","0.0513","","","0.1244","0.1412","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208811","18.758","0.003","19.828","0.003","22.558","0.003","100.106","0.01","98.682","0.01","110.342","0.009","7538","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H160.5 F16 I4 N9.5 O16 -","- C158.999 H160.5 F15.9996 I3.9999 N9.5 O15.9999 -","- C317.998 H320.999 F31.9992 I7.9998 N19 O31.9998 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.3358","0.2076","","","0.4356","0.476","","","","","","2.216","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208812","7.7265","0.0016","9.864","0.002","22.541","0.005","79.457","0.004","89.924","0.007","89.993","0.004","1688.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","2","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.127","0.0588","","","0.1068","0.1283","","","","","","1.005","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208813","8.6273","0.0017","9.5152","0.0019","10.644","0.002","81.61","0.03","75.88","0.03","86.06","0.03","837.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C38 H32 Cl2 N2 O10 -","2","1","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.0395","0.0331","","","0.076","0.0802","","","","","","1.047","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208814","20.925","0.002","20.925","0.002","20.61","0.002","90","","90","","120","","7815.2","1.3","298","2","298","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C258 H324 Cl18 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0519","0.0373","","","0.0799","0.0858","","","","","","1.033","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208815","20.6498","0.0008","20.6498","0.0008","20.3322","0.0013","90","","90","","120","","7508.4","0.6","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C43 H57 Cu4 N10 O3 S4 -","- C43 H57 Cu4 N10 O3 S4 -","- C258 H342 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0592","0.0358","","","0.0722","0.0816","","","","","","1.029","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208816","8.3136","0.0019","14.719","0.004","11.526","0.003","90","","90.807","0.005","90","","1410.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H11 N3 O9 Tb -","- C44 H44 N12 O36 Tb4 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0886","0.0608","","","0.1072","0.1172","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208817","8.2862","0.0017","14.865","0.003","11.559","0.002","90","","90.87","0.003","90","","1423.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H11 Eu N3 O9 -","- C44 H44 Eu4 N12 O36 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0498","0.0402","","","0.0782","0.0818","","","","","","1.057","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208818","6.7956","0.0015","11.993","0.003","21.79","0.005","90","","90","","90","","1775.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl (2R,3S)-2-hydroxy-3-phenyl-3-(((5-phenyl-1,3,4- oxadiazol-2-yl)-carbonyl)amino)-propanoate","methyl (2R,3S)-2-hydroxy-3-phenyl-3-{[(5-phenyl-1,3,4-oxadiazol- 2-yl)-carbonyl]amino}-propanoate","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Wang, Li; Zhang, Zhenfeng; Wang, Yibo; Wu, Yanbo; Zhang, Shengyong","O⋯π and O‒H⋯π interactions: the first disclosure of the nature of 1,3,4-oxadiazol⋯aromatic contacts","CrystEngComm","2012","14","23","7877","","10.1039/c2ce26224j","","","0.71073","MoKα","","0.0269","0.0246","","","0.0615","0.0638","","","","","","1.008","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208819","16.459","0.001","4.1097","0.0005","18.072","0.001","90","","93.72","0.01","90","","1219.84","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Cl2 N2 O Pb -","- C10 H8 Cl2 N2 O Pb -","- C40 H32 Cl8 N8 O4 Pb4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0585","0.0381","","","0.0686","0.0745","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208820","16.847","0.001","4.0866","0.0005","35.249","0.003","90","","97.55","0.01","90","","2405.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl2 N6 O8 Pb -","- C20 H18 Cl2 N6 O8 Pb -","- C80 H72 Cl8 N24 O32 Pb4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0856","0.0399","","","0.0617","0.0685","","","","","","1.039","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208821","18.14","0.003","5.04","0.0009","19.369","0.003","90","","90","","90","","1770.8","0.5","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O S -","- C22 H18 N2 O S -","- C88 H72 N8 O4 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.0757","0.0548","","","0.1413","0.1638","","","","","","1.136","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208822","8.8488","0.0015","21.149","0.004","10.0801","0.0017","90","","98.541","0.004","90","","1865.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1075","0.0571","","","0.1463","0.1747","","","","","","1.027","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208823","10.511","0.002","34.171","0.008","11.778","0.003","90","","113.517","0.005","90","","3879","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1043","0.0504","","","0.1066","0.1279","","","","","","1.003","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208856","5.2052","0.0006","12.6763","0.0017","19.107","0.003","90","","91.293","0.012","90","","1260.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Lithum Yttrium Barium Molybdate","Lithum Yttrium Barium Molybdate","","- Ba2 Li3 Mo8 O32 Y3 -","- Ba2 Li3 Mo8 O32 Y3 -","- Ba4 Li6 Mo16 O64 Y6 -","2","0.25","","Song, Mingjun; Zhou, Weiwei; Wu, Mingyan; Wang, Guofu","Structure, thermal and spectroscopic properties of Tm3±doped Li3Ba2Y3(MoO4)8 crystal as a promising candidate for 2 μm lasers","CrystEngComm","2013","15","1","168","","10.1039/c2ce25671a","","","0.71073","MoKα","","0.0447","0.0425","","","0.1109","0.1123","","","","","","1.19","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208857","9.8525","0.0019","10.375","0.002","13.982","0.003","72.383","0.003","89.789","0.002","80.764","0.003","1343","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N8 O2 -","- C32 H26 N8 O2 -","- C64 H52 N16 O4 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0788","0.0546","","","0.1343","0.1509","","","","","","1.025","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208858","7.599","0.002","9.335","0.003","23.306","0.007","90","","97.817","0.005","90","","1637.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.1358","0.079","","","0.1463","0.1699","","","","","","1.106","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208859","9.865","0.002","15.655","0.004","14.016","0.003","90","","101.089","0.003","90","","2124.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C96 H80 N24 O8 -","8","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.085","0.0594","","","0.1398","0.1542","","","","","","1.069","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208860","7.352","0.002","9.03","0.003","9.219","0.003","116.322","0.004","93.538","0.004","108.236","0.004","506.4","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C24 H20 N6 O2 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0758","0.066","","","0.1693","0.178","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208861","11.3946","0.0003","11.3946","0.0003","11.3946","0.0003","90","","90","","90","","1479.44","0.07","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12 Ni12 -","- Cd12 Ni12 -","- Cd48 Ni48 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0101","0.0095","","0.0294","0.0289","","","","1.21","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208862","19.722","0.0002","19.722","0.0002","19.722","0.0002","90","","90","","90","","7671.02","0.13","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.247 Ni14.486 -","- Cd82.208 Ni14.51 -","- Cd328.832 Ni58.04 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0432","0.0404","","0.1305","0.1284","","","","1.82","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208863","19.7145","0.0011","19.7145","0.0011","19.7145","0.0011","90","","90","","90","","7662.3","0.7","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.826 Ni13.378 -","- Cd82.79 Ni13.41 -","- Cd331.16 Ni53.64 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.045","0.0423","","0.1356","0.1337","","","","1.85","1.89","1.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208864","19.7356","0.0005","19.7356","0.0005","19.7356","0.0005","90","","90","","90","","7686.9","0.3","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.96 Ni13.252 -","- Cd82.908 Ni13.29 -","- Cd331.632 Ni53.16 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0476","0.0407","","0.1084","0.1058","","","","1.69","1.75","1.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208865","19.7384","","19.7384","","19.7384","","90","","90","","90","","7690.17","","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd83.144 Ni13.09 -","- Cd83.22 Ni13.06 -","- Cd332.88 Ni52.24 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0353","0.0344","","0.121","0.1203","","","","1.82","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208866","11.397","0.0004","11.397","0.0004","11.397","0.0004","90","","90","","90","","1480.37","0.09","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12.303 Ni11.697 -","- Cd12.304 Ni11.696 -","- Cd49.216 Ni46.784 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0201","0.0192","","0.0642","0.0623","","","","1.2","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208867","32.365","0.004","32.365","0.004","32.365","0.004","90","","90","","90","","33902","7","173","2","173","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C10 H7 Cu0.5 N O3.5 -","- C10 H6 Cu0.5 N O3.5 -","- C480 H288 Cu24 N48 O168 -","48","1","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.71073","MoKα","","0.2465","0.1515","","","0.4379","0.4844","","","","","","1.341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208868","41.121","0.008","20.457","0.004","39.436","0.008","90","","106.71","0.03","90","","31773","12","96","2","96","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C278 H328 N44 Ni14 O94 -","- C278 H328 N44 Ni14 O94 -","- C1112 H1312 N176 Ni56 O376 -","4","0.5","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.8","synchrotron","","0.0803","0.0643","","","0.1933","0.2031","","","","","","1.085","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208869","17.812","0.0018","15.4281","0.0016","16.3819","0.0017","90","","90","","90","","4501.8","0.8","298","2","298","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16 H16 Cd2 N4 O9 -","- C16 H16 Cd2 N4 O9 -","- C128 H128 Cd16 N32 O72 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.1093","0.0775","","","0.2072","0.2389","","","","","","1.073","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208870","8.9597","0.0011","11.2586","0.0012","13.1658","0.0015","111.467","0.002","94.81","0.001","98.544","0.001","1208.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Ag2 N6 O4 -","- C20 H27 Ag2 N6 O4 -","- C40 H54 Ag4 N12 O8 -","2","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.058","0.0338","","","0.0794","0.0967","","","","","","1.021","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208871","7.229","0.0007","8.9199","0.0009","9.3501","0.001","65.68","0.001","88.42","0.002","70.57","0.001","513.9","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20.5 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","1","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0494","0.0407","","","0.1103","0.1143","","","","","","1.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208872","19.267","0.003","11.2198","0.0005","12.833","0.003","90","","127.52","0.03","90","","2200.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O5 Zn -","- C8 H5 N2 O5 Zn -","- C64 H40 N16 O40 Zn8 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0368","0.0323","","","0.1183","0.1269","","","","","","1.027","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208873","8.2303","0.0002","10.7231","0.0003","11.1975","0.0003","90","","90","0.03","90","","988.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C32 H36 Cd2 N8 O16 -","2","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.03","0.0263","","","0.0782","0.0833","","","","","","1.012","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208874","16.201","0.0003","16.201","0.0003","6.9121","0.0003","90","","90","","90","","1814.24","0.09","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C6 H6 Cd N2 O5 -","- C6 Cd N2 O5 -","- C48 Cd8 N16 O40 -","8","0.25","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0455","0.0405","","","0.1384","0.1422","","","","","","1.089","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208875","16.178","0.0002","16.178","0.0002","6.8377","0.0002","90","","90","","90","","1789.62","0.06","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C7 H8 Cd N2 O5 -","- C7 Cd N2 O5 -","- C56 Cd8 N16 O40 -","8","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0572","0.045","","","0.1309","0.1378","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208876","12.8722","0.0005","12.9237","0.0004","29.641","0.002","90","","90","","90","","4931","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Cl22 Cu16 N6 -","- C18 H42 Cl22 Cu16 N6 -","- C72 H168 Cl88 Cu64 N24 -","4","1","","Williams, Edward R.; Weller, Mark T.","Hydrothermal synthesis and structural characterisation of [H2DABCO]3[Cu16Cl22]: a new copper(i) chloride framework","CrystEngComm","2013","15","1","31","","10.1039/c2ce26068a","","","0.71075","MoKα","","0.0659","0.0592","","","0.1379","0.1413","","","","","","1.13","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208877","23.8588","0.0012","18.6112","0.0009","8.4514","0.0005","90","","100.598","0.003","90","","3688.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N6 O8 Pd Zn -","- C24 H30 N6 O8 Pd Zn -","- C96 H120 N24 O32 Pd4 Zn4 -","4","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","1.54178","CuKα","","0.0462","0.0424","","","0.1271","0.1312","","","","","","1.088","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208878","11.4952","0.0009","11.5504","0.0008","21.6426","0.0016","94.351","0.001","91.218","0.001","113.627","0.001","2620.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 Co N11 Ni2 O16 -","- C41 H59 Co N11 Ni2 O16 -","- C82 H118 Co2 N22 Ni4 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0772","0.0519","","","0.1633","0.1947","","","","","","0.995","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208879","11.4505","0.0008","11.5123","0.0008","21.6191","0.0014","94.207","0.001","91.531","0.001","113.612","0.001","2599.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 N11 Ni3 O16 -","- C41 H59 N11 Ni3 O16 -","- C82 H118 N22 Ni6 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0777","0.0569","","","0.178","0.1977","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208880","11.4882","0.0008","11.5521","0.0008","21.6308","0.0016","94.361","0.001","91.317","0.001","113.584","0.001","2618.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 N11 Ni2 O16 Zn -","- C41 H63 N11 Ni2 O16 Zn -","- C82 H126 N22 Ni4 O32 Zn2 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0781","0.0492","","","0.1281","0.1527","","","","","","1.065","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208881","11.5109","0.0014","11.5916","0.0014","21.717","0.003","91.17","0.002","94.449","0.002","113.834","0.002","2638.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 N11 Ni O19 Zn2 -","- C41 H67 N11 Ni O19 Zn2 -","- C82 H134 N22 Ni2 O38 Zn4 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0585","0.0497","","","0.1532","0.1611","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208882","11.5056","0.0008","11.6391","0.0008","21.8286","0.0015","91.695","0.001","94.3","0.001","113.432","0.001","2668.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 N11 O17 Zn3 -","- C41 H65 N11 O17 Zn3 -","- C82 H130 N22 O34 Zn6 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0689","0.0528","","","0.1707","0.1935","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208883","13.8978","0.0008","15.0595","0.0009","15.5605","0.0009","90","","115.097","0.001","90","","2949.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cu N6 Ni O11 -","- C24 H36 Cu N6 Ni O11 -","- C96 H144 Cu4 N24 Ni4 O44 -","4","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0631","0.0362","","","0.0784","0.0867","","","","","","0.942","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208884","8.2345","0.0009","13.4315","0.0015","13.4515","0.0015","65.405","0.001","81.539","0.002","85.676","0.002","1337.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu2 N6 O10 -","- C24 H34 Cu2 N6 O10 -","- C48 H68 Cu4 N12 O20 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0439","0.039","","","0.1399","0.1589","","","","","","1.146","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208885","9.706","0.004","10.184","0.004","10.607","0.004","62.712","0.004","85.47","0.005","69.691","0.004","869.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","1","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0679","0.0648","","","0.1729","0.1773","","","","","","1.023","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208886","15.107","0.002","9.1347","0.0014","19.186","0.003","90","","100.09","0.002","90","","2606.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium hemi(tetrafluoroborate)","","","- C10 H13 B F4 N4 -","- C10 H13 B F4 N4 -","- C80 H104 B8 F32 N32 -","8","2","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0817","0.0472","","","0.1077","0.1232","","","","","","1.043","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208887","6.604","0.001","6.604","0.001","31.614","0.01","90","","90","","90","","1378.8","0.5","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","4-aminopyridinium hemihexafluorphosphate","","","- C10 H13 F6 N4 P -","- C10 H13 F6 N4 P -","- C40 H52 F24 N16 P4 -","4","0.125","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0413","0.0347","","","0.0902","0.0967","","","","","","1.06","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208888","9.7157","0.0017","8.8484","0.0016","13.216","0.002","90","","95.285","0.002","90","","1131.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Aminopyridinium hemichloride","","","- C10 H13 Cl N4 -","- C10 H13 Cl N4 -","- C40 H52 Cl4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0466","0.0359","","","0.0841","0.0914","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208889","9.7699","0.0017","8.993","0.0015","13.46","0.002","90","","95.826","0.003","90","","1176.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium hemibromide","","","- C10 H13 Br N4 -","- C10 H13 Br N4 -","- C40 H52 Br4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0402","0.0303","","","0.0781","0.0828","","","","","","1.037","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208890","8.2553","0.0011","12.849","0.0016","3.888","0.0004","90","","90","","90","","412.41","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C6 H2 Cs2 O4 -","- C6 Cs2 O4 -","- C12 Cs4 O8 -","2","0.125","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.055","","","","0.1534","","","","","","1.102","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208891","3.9251","0.0001","11.2358","0.0003","8.3337","0.0002","90","","102.757","0.003","90","","358.457","0.016","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 K2 O4 -","- C6 H2 K2 O4 -","- C12 H4 K4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0294","","","","0.0845","","","","","","1.119","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208892","15.9708","0.0007","6.4417","0.0002","7.9093","0.0003","90","","116.462","0.005","90","","728.45","0.06","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H6 Li2 O6 -","- C6 H6 Li2 O6 -","- C24 H24 Li8 O24 -","4","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0363","","","","0.1084","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208893","8.2507","0.0009","12.4085","0.0013","7.0259","0.0012","90","","90","","90","","719.3","0.16","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0569","","","","0.1873","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208894","8.1716","0.0004","12.468","0.0005","7.2307","0.0003","90","","90","","90","","736.69","0.06","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H2 O4 Rb2 -","- C6 H2 O4 Rb2 -","- C24 H8 O16 Rb8 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0433","","","","0.1216","","","","","","1.13","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7208895","6.86","0.002","7.368","0.002","18.967","0.005","90","","109.738","0.009","90","","902.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.1331","0.0696","","","0.168","0.2105","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208896","9.7089","0.0014","8.9276","0.0013","25.93","0.004","90","","91.09","0.002","90","","2247.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Tb -","- C24 H15 N6 O6 Tb -","- C96 H60 N24 O24 Tb4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0502","0.041","","","0.0972","0.1021","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208897","9.7575","0.001","8.9776","0.0009","26.005","0.003","90","","91.113","0.001","90","","2277.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Eu N6 O6 -","- C24 H15 Eu N6 O6 -","- C96 H60 Eu4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0321","0.025","","","0.0627","0.0785","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208898","9.8425","0.0007","9.0698","0.0007","26.084","0.002","90","","91.216","0.001","90","","2328","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Pr -","- C24 H15 N6 O6 Pr -","- C96 H60 N24 O24 Pr4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0351","0.029","","","0.0638","0.0661","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208899","9.853","0.002","9.073","0.002","26.152","0.006","90","","91.153","0.004","90","","2337.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 Nd O6 -","- C24 H15 N6 Nd O6 -","- C96 H60 N24 Nd4 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0689","0.0549","","","0.1184","0.1249","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208900","9.7434","0.0011","8.9656","0.001","26","0.003","90","","91.179","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Gd N6 O6 -","- C24 H15 Gd N6 O6 -","- C96 H60 Gd4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0526","0.0373","","","0.0715","0.0774","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208901","11.9092","0.0007","5.2342","0.0003","11.3589","0.0007","90","","91.198","0.003","90","","707.9","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-AzoPy-SA (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)2-COOH","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0538","0.0406","","","0.1098","0.1181","","","","","","1.131","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208902","5.2025","0.0004","7.0703","0.0006","11.4579","0.001","99.247","0.005","102.957","0.006","101.395","0.005","393.25","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)4-COOH","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0611","0.0489","","","0.1337","0.1451","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208903","5.468","0.0006","7.0381","0.0007","11.9358","0.0012","98.867","0.006","93.592","0.006","102.392","0.006","441.09","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-04BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0585","0.0476","","","0.1372","0.1484","","","","","","1.087","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208904","7.0388","0.0014","8.2451","0.0018","17.49","0.004","77.525","0.014","80.368","0.013","85.474","0.014","976.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-03BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)8-COOH","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.1782","0.093","","","0.2017","0.2462","","","","","","1.177","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208905","5.8269","0.0006","8.6817","0.0008","9.0827","0.0009","76.314","0.006","87.963","0.006","77.486","0.006","435.76","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","05:04BD (4-pyridyl)-N=N-(4-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0767","0.0504","","","0.1308","0.1459","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208906","12.089","0.011","14.791","0.013","15.76","0.014","87.779","0.013","74.046","0.012","70.035","0.012","2542","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 N4 Ni2 O14.5 -","- C48 H41 N4 Ni2 O14.5 -","- C96 H82 N8 Ni4 O29 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.2047","0.0785","","","0.1637","0.2224","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208907","12.215","0.003","14.94","0.004","15.929","0.004","88.1","0.003","73.721","0.003","70.836","0.003","2630.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N5 Ni2 O15 -","- C51 H47 N5 Ni2 O15 -","- C102 H94 N10 Ni4 O30 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1273","0.0607","","","0.1313","0.1586","","","","","","1.019","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208908","11.275","0.005","13.288","0.006","18.774","0.008","92.211","0.006","100.988","0.005","104.96","0.005","2656","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H49 N4 Ni2 O19 -","- C55 H49 N4 Ni2 O19 -","- C110 H98 N8 Ni4 O38 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0834","0.051","","","0.1219","0.1392","","","","","","1.018","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208909","14.858","0.018","15.017","0.018","15.9","0.018","64.059","0.015","71.167","0.015","76.371","0.015","3001","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","1","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1137","0.0666","","","0.1803","0.2146","","","","","","1.005","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208910","10.682","0.007","15.358","0.01","20.449","0.014","90","","93.388","0.008","90","","3349","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 Co3 N4 O20 -","- C76 H54 Co3 N4 O20 -","- C152 H108 Co6 N8 O40 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1921","0.089","","","0.1955","0.2355","","","","","","0.999","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208911","14.001","0.01","10.758","0.008","16.911","0.012","90","","105.111","0.008","90","","2459","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H33 Co3 N0 O19 -","- C56 H33 Co3 O19 -","- C112 H66 Co6 O38 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0618","0.0393","","","0.0813","0.0911","","","","","","1.015","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208912","29.685","0.008","18.809","0.005","10.441","0.003","90","","97.5","0.003","90","","5780","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Co3 N8 O22 S -","- C52 H50 Co3 N8 O22 S -","- C208 H200 Co12 N32 O88 S4 -","4","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0562","0.0418","","","0.1089","0.1189","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208913","19.052","0.002","18.588","0.002","28.092","0.004","90","","90","","90","","9948","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Br5 Cd6 N41 O -","- C16 H38 Br5 Cd6 N41 O -","- C128 H304 Br40 Cd48 N328 O8 -","8","1","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0381","0.0366","","","0.0838","0.0847","","","","","","1.054","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208914","12.724","0.007","13.439","0.007","23.509","0.012","90","","90","","90","","4020","4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 Br5 Cd4 N21 -","- C16 H36 Br5 Cd4 N21 -","- C64 H144 Br20 Cd16 N84 -","4","0.5","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0477","0.0413","","","0.104","0.1078","","","","","","1.029","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208915","8.7258","0.0011","10.6743","0.0006","11.7457","0.0011","65.623","0.012","78.885","0.014","76.553","0.014","963.36","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cd N2 O9 S2 -","- C15 H16 Cd N2 O9 S2 -","- C30 H32 Cd2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.068","0.0496","","","0.0997","0.1083","","","","","","1.05","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208916","10.736","0.0013","23.426","0.003","16.561","0.002","90","","95.698","0.004","90","","4144.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 Cd2 N4 O15 S4 -","- C35 H34 Cd2 N4 O15 S4 -","- C140 H136 Cd8 N16 O60 S16 -","4","0.5","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0969","0.0728","","","0.1691","0.1824","","","","","","1.157","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208917","10.8173","0.0018","23.278","0.004","16.465","0.003","90","","97.66","0.005","90","","4109","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O8 S2 -","- C18 H8 Cd N2 O8 S2 -","- C144 H64 Cd8 N16 O64 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1187","0.0799","","","0.1307","0.146","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208918","9.048","0.0011","10.9486","0.0015","12.7222","0.0018","106.62","0.002","103.906","0.003","102.182","0.002","1118","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co N2 O9 S2 -","- C18 H12 Co N2 O9 S2 -","- C36 H24 Co2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0984","0.0813","","","0.1708","0.1808","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208919","8.913","0.003","21.652","0.006","10.046","0.004","90","","110.545","0.011","90","","1815.4","1.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Co N2 O7 S2 -","- C17 H8 Co N2 O7 S2 -","- C68 H32 Co4 N8 O28 S8 -","4","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1625","0.098","","","0.1378","0.166","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208920","22.748","0.005","10.543","0.002","15.131","0.003","90","","108.49","0.03","90","","3441.6","1.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Co N2 O5 S2 -","- C16 H12 Co N2 O5 S2 -","- C128 H96 Co8 N16 O40 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71073","MoKα","","0.1736","0.0953","","","0.1429","0.1752","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208921","15.9051","0.0013","15.9844","0.0013","18.1694","0.0015","74.805","0.003","89.245","0.003","63.414","0.002","3957.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Er N27 O38 -","- C60 H72 Er N27 O25 -","- C120 H144 Er2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.044","0.0412","","","0.1257","0.1288","","","","","","1.098","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208922","15.8697","0.0013","15.9935","0.0012","18.2482","0.0014","74.793","0.003","89.019","0.003","63.367","0.002","3968","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Gd N27 O38 -","- C60 H72 Gd N27 O25 -","- C120 H144 Gd2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0563","0.0491","","","0.1385","0.1499","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208923","15.9003","0.0008","15.9406","0.0008","18.1921","0.0009","74.646","0.002","89.345","0.002","63.329","0.002","3942.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Y -","- C60 H72 N27 O25 Y -","- C120 H144 N54 O50 Y2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0817","0.0585","","","0.16","0.1734","","","","","","1.064","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208924","15.8719","0.0008","15.9679","0.0008","18.3263","0.0009","74.45","0.002","88.987","0.002","63.323","0.002","3969.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Sm -","- C60 H72 N27 O25 Sm -","- C120 H144 N54 O50 Sm2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0488","0.0432","","","0.1178","0.1215","","","","","","1.042","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208925","15.9117","0.0007","15.9777","0.0006","18.2073","0.0007","74.75","0.001","89.332","0.002","63.384","0.001","3962.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Dy N27 O38 -","- C60 H72 Dy N27 O25 -","- C120 H144 Dy2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0505","0.0453","","","0.1349","0.1396","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208926","15.8602","0.0007","15.9685","0.0006","18.0548","0.0008","74.91","0.001","89.449","0.002","63.404","0.001","3917.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Yb -","- C60 H72 N27 O25 Yb -","- C120 H144 N54 O50 Yb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0341","0.0314","","","0.0867","0.0889","","","","","","1.056","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208927","10.7042","0.0006","14.7774","0.0008","29.5216","0.0016","77.486","0.002","81.423","0.002","69.116","0.002","4246","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H124 Cl2 N25 O41 Pr -","- C60 H72 Cl2 N25 O20 Pr -","- C120 H144 Cl4 N50 O40 Pr2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0878","0.0739","","","0.2161","0.2293","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208928","15.8602","0.0006","15.9876","0.0006","18.2197","0.0006","74.954","0.001","89.086","0.001","63.282","0.001","3957.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Eu N27 O38 -","- C60 H72 Eu N27 O25 -","- C120 H144 Eu2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0433","0.0372","","","0.1033","0.107","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208929","10.6667","0.0008","28.785","0.002","14.6296","0.0011","90","","110.47","0.002","90","","4208.2","0.5","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H128 Cl2 N25 O43 Pr -","- C60 H64 Cl2 N25 O19 Pr -","- C120 H128 Cl4 N50 O38 Pr2 -","2","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.1504","0.1109","","","0.3278","0.3602","","","","","","1.264","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208930","15.845","0.0007","15.9385","0.0007","18.1401","0.0008","74.731","0.002","89.311","0.002","63.456","0.002","3923.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H104 Ho N27 O37 -","- C60 H72 Ho N27 O25 -","- C120 H144 Ho2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0468","0.0407","","","0.1137","0.1177","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208931","15.8446","0.0006","15.9631","0.0007","18.1699","0.0007","74.865","0.001","89.206","0.001","63.336","0.001","3936","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Tb -","- C60 H72 N27 O25 Tb -","- C120 H144 N54 O50 Tb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0529","0.0449","","","0.1217","0.1268","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208932","17.7064","0.0013","26.467","0.002","21.98","0.0016","90","","111.594","0.002","90","","9577.7","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H136 Cl2 Lu2 N28 O56 -","- C60 H72 Cl2 Lu2 N28 O36 -","- C240 H288 Cl8 Lu8 N112 O144 -","4","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0493","0.0388","","","0.1092","0.114","","","","","","1.101","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208933","15.558","0.002","15.609","0.002","20.746","0.002","104.25","0.004","95.811","0.004","119.308","0.004","4108.9","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H218 N60 Nd4 O97 -","- C120 H144 N60 Nd4 O76 -","- C120 H144 N60 Nd4 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0997","0.0927","","","0.2341","0.238","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208934","15.5784","0.0009","15.6145","0.0009","20.8875","0.0017","104.115","0.003","95.999","0.003","119.254","0.002","4146.1","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H208 Ce4 N60 O92 -","- C120 H144 Ce4 N60 O76 -","- C120 H144 Ce4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0483","0.044","","","0.1173","0.1204","","","","","","1.052","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208935","15.5568","0.0018","15.6496","0.0019","21.03","0.002","104.42","0.004","95.91","0.004","119.074","0.004","4179.3","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H212 La4 N60 O94 -","- C120 H144 La4 N60 O76 -","- C120 H144 La4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.084","0.0765","","","0.1871","0.1907","","","","","","1.074","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208936","16.0445","0.0012","27.598","0.002","9.9439","0.0009","90","","95.898","0.009","90","","4379.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Er2 N2 O17 -","- C45 H31 Er2 N2 O17 -","- C180 H124 Er8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0587","0.0414","","","0.0967","0.102","","","","","","0.888","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208937","16.0603","0.0005","27.6878","0.0011","9.9639","0.0005","90","","96.019","0.004","90","","4406.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 N2 O17 Yb2 -","- C45 H32 N2 O17 Yb2 -","- C180 H128 N8 O68 Yb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0543","0.0424","","","0.1039","0.1098","","","","","","1.078","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208938","16.0587","0.0004","27.6658","0.0006","9.9524","0.0003","90","","96.044","0.002","90","","4397","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Ho2 N2 O17 -","- C45 H32 Ho2 N2 O17 -","- C180 H128 Ho8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0592","0.0447","","","0.1072","0.1142","","","","","","1.097","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208939","8.8868","0.0005","29.0154","0.0014","16.6276","0.0012","90","","91.827","0.006","90","","4285.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O19 Tb2 -","- C45 H36 N2 O19 Tb2 -","- C180 H144 N8 O76 Tb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0647","0.0356","","","0.0908","0.1022","","","","","","0.64","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208940","8.898","0.0004","28.9894","0.0012","16.6177","0.0006","90","","91.95","0.004","90","","4284","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy2 N2 O19 -","- C45 H36 Dy2 N2 O19 -","- C180 H144 Dy8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0818","0.0675","","","0.1598","0.1688","","","","","","1.477","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208941","8.9134","0.0003","29.0448","0.001","16.6484","0.0005","90","","91.909","0.003","90","","4307.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Eu2 N2 O19 -","- C45 H36 Eu2 N2 O19 -","- C180 H144 Eu8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.068","0.0538","","","0.156","0.1715","","","","","","1.161","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208942","18.055","0.0004","16.3958","0.0003","29.0934","0.0007","90","","90","","90","","8612.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H32 La2 N2 O18 -","- C45 H32 La2 N2 O18 -","- C360 H256 La16 N16 O144 -","8","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0457","0.0259","","","0.077","0.0855","","","","","","0.58","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208943","23.4064","0.001","5.9565","0.0002","33.4858","0.0017","90","","121.375","0.003","90","","3985.9","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H36 O21 Sm2 -","- C42 H36 O21 Sm2 -","- C168 H144 O84 Sm8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0528","0.0338","","","0.0693","0.0724","","","","","","0.962","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208944","23.571","0.005","14.997","0.003","20.221","0.004","90","","93.55","0.03","90","","7134","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cu2 Mo4 N8 O13 -","- C28 H28 Cu2 Mo4 N8 O13 -","- C224 H224 Cu16 Mo32 N64 O104 -","8","1","","Hou, Guang-Feng; Wang, Xiao-Dan; Yu, Ying-Hui; Gao, Jin-Sheng; Wen, Bo; Yan, Peng-Fei","A new topology constructed from an octamolybdate and metallomacrocycle coordination complex","CrystEngComm","2013","15","2","249","","10.1039/c2ce26250a","","","0.71073","MoKα","","0.052","0.0389","","","0.0617","0.0652","","","","","","1.058","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208945","11.0516","0.0008","12.4783","0.001","12.7662","0.001","105.868","0.001","98.2301","0.001","115.649","0.0011","1455.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0359","0.028","","","0.0653","0.0697","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208946","10.9441","0.0013","12.4765","0.0015","12.7277","0.0016","105.947","0.002","98.136","0.002","115.568","0.001","1438","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0322","0.0232","","","0.0542","0.0605","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208947","11.0202","0.0006","12.5108","0.0006","12.9049","0.0011","106.603","0.001","97.781","0.0011","115.596","0.001","1467.13","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0294","0.0252","","","0.06","0.0623","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208948","10.7899","0.0015","12.0807","0.0016","14.438","0.0019","76.362","0.002","68.371","0.003","65.305","0.002","1582","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0369","0.0307","","","0.0792","0.0832","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208949","20.81","0.002","8.8755","0.001","8.9926","0.0009","90","","96.024","0.01","90","","1651.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 La O10 -","- C12 H21 La O10 -","- C48 H84 La4 O40 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0868","0.0453","","","0.0979","0.1093","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208950","20.7047","0.0004","8.8643","0.0001","8.8911","0.0001","90","","90","","90","","1631.81","0.04","120","2","120","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C12 H21 Ce O10 -","- C12 H21 Ce O10 -","- C48 H84 Ce4 O40 -","4","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0359","0.0227","","","0.0456","0.0516","","","","","","1.047","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208951","11.0074","0.0013","11.1582","0.0012","12.1118","0.0012","98.66","0.009","103.678","0.009","118.293","0.011","1211.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H28 Ce2 O14 -","- C18 H28 Ce2 O14 -","- C36 H56 Ce4 O28 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0651","0.0538","","","0.1422","0.1545","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208952","34.7924","0.0019","12.5064","0.0008","11.5839","0.0007","90","","90","","90","","5040.5","0.5","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 Eu2 O15 -","- C18 H30 Eu2 O15 -","- C144 H240 Eu16 O120 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0591","0.051","","","0.1205","0.126","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208953","34.6706","0.0011","12.5002","0.0003","11.5584","0.0004","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 O15 Tb2 -","- C18 H30 O15 Tb2 -","- C144 H240 O120 Tb16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.043","0.0322","","","0.0562","0.0589","","","","","","1.162","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208954","5.8422","0.0003","9.8906","0.0004","21.5267","0.001","90","","93.957","0.004","90","","1240.91","0.1","120","2","120","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H34 O17 Y2 -","- C18 H32 O17 Y2 -","- C36 H64 O34 Y4 -","2","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0891","0.086","","","0.1903","0.1918","","","","","","1.241","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208955","5.8717","0.0008","9.8057","0.0018","11.979","0.002","70.102","0.016","80.008","0.013","89.723","0.013","637.6","0.19","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H16 O8 Y -","- C9 H16 O8 Y -","- C18 H32 O16 Y2 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0759","0.0645","","","0.1865","0.1951","","","","","","1.148","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208956","11.1645","0.0005","11.7892","0.001","18.3088","0.0014","89.219","0.006","87.563","0.005","72.844","0.006","2300.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H50 O25 Y4 -","- C36 H50 O25 Y4 -","- C72 H100 O50 Y8 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0633","0.0321","","","0.0627","0.0814","","","","","","0.967","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208957","11.1375","0.0004","18.0442","0.0005","12.7462","0.0004","90","","112.496","0.004","90","","2366.65","0.15","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Lu2 O13 -","- C18 H26 Lu2 O13 -","- C72 H104 Lu8 O52 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0392","0.0308","","","0.0622","0.0663","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208958","11.8632","0.0002","13.0361","0.0003","13.1531","0.0002","116.813","0.002","94.042","0.001","113.589","0.002","1583.45","0.07","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H37 Lu3 O19 -","- C24 H37 Lu3 O19 -","- C48 H74 Lu6 O38 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0248","0.0236","","","0.0634","0.0644","","","","","","1.113","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208959","15.9284","0.0006","16.27","0.0004","11.882","0.0004","90","","92.683","0.003","90","","3075.91","0.17","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Lu3 O17 -","- C24 H33 Lu3 O17 -","- C96 H132 Lu12 O68 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.055","0.0372","","","0.0628","0.0692","","","","","","1.037","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208960","22.7053","0.0011","12.3557","0.0005","8.3931","0.0003","90","","93.878","0.004","90","","2349.21","0.17","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 La O7 -","- C9 H14 La O7 -","- C72 H112 La8 O56 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0429","0.0308","","","0.0604","0.0658","","","","","","1.003","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208961","17.6673","0.0004","17.6673","0.0004","15.1787","0.0006","90","","90","","90","","4737.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 O12 Y2 -","- C18 H24 O12 Y2 -","- C144 H192 O96 Y16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0971","0.0985","","","","","","1.088","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208962","15.5367","0.0003","7.2065","0.0001","15.8326","0.0003","90","","106.567","0.001","90","","1699.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0487","0.0435","","","0.1091","0.1129","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208963","15.3346","0.0008","7.291","0.0004","16.1284","0.0009","90","","104.857","0.004","90","","1742.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.118","0.0664","","","0.165","0.2032","","","","","","1.024","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208964","7.3283","0.0002","7.7161","0.0002","16.2329","0.0004","90.86","0.001","97.774","0.002","112.116","0.002","840.38","0.04","100","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C36 H34 N2 O12 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0405","0.0355","","","0.0943","0.1069","","","","","","1.099","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208965","10.282","0.0005","14.1275","0.0006","11.8374","0.0005","90","","96.725","0.002","90","","1707.66","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","2","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.169","0.0681","","","0.0893","0.1143","","","","","","1.005","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208966","10.3597","0.0005","13.9938","0.0007","11.8314","0.0006","90","","97.721","0.003","90","","1699.67","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O12 S2 -","- C36 H34 N2 O12 S2 -","- C72 H68 N4 O24 S4 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0773","0.0542","","","0.1225","0.1364","","","","","","1.047","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208967","9.6186","0.0003","11.3663","0.0004","11.7792","0.0006","61.273","0.002","76.368","0.003","67.977","0.002","1044.45","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C42 H46 N2 O16 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0925","0.0645","","","0.1488","0.1622","","","","","","1.155","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208968","9.6628","0.0001","12.9705","0.0002","15.2675","0.0002","90","","108.034","0.001","90","","1819.49","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C76 H76 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0501","0.0374","","","0.0946","0.1019","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208969","15.1007","0.001","17.2538","0.0011","31.509","0.002","90","","90","","90","","8209.5","0.9","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C20 H12 Cd N10 -","- C20 H12 Cd N10 -","- C320 H192 Cd16 N160 -","16","0.5","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0258","0.0217","","","0.0593","0.0613","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208970","10.523","0.0013","16.51","0.002","7.4998","0.0009","90","","109.908","0.001","90","","1225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cd N8 O -","- C10 H8 Cd N8 O -","- C40 H32 Cd4 N32 O4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0348","","","0.0841","0.0849","","","","","","1.085","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208971","8.0261","0.001","8.7696","0.0011","15.719","0.002","90","","99","0.002","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N5 Zn -","- C10 H6 Cl N5 Zn -","- C40 H24 Cl4 N20 Zn4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0562","0.0466","","","0.1323","0.1393","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208972","9.3824","0.0013","13.4516","0.0019","14.717","0.002","112.547","0.002","96.925","0.002","101.903","0.002","1637.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20.5 Cd2 N12 O4.25 -","- C32 H20.5 Cd2 N12 O4.25 -","- C64 H41 Cd4 N24 O8.5 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0287","","","0.0706","0.0748","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208973","10.0822","0.0011","10.291","0.0012","11.6096","0.0013","102.739","0.001","107.223","0.001","90.824","0.001","1118.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H7.34 Cd2 N5 O9.67 -","- C19 H7.34 Cd2 N5 O9.67 -","- C38 H14.68 Cd4 N10 O19.34 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.034","0.0306","","","0.0871","0.0898","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208974","8.759","0.0007","25.993","0.002","15.0096","0.0011","90","","103.528","0.001","90","","3322.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cd6 N20 O23 -","- C60 H42 Cd6 N20 O23 -","- C120 H84 Cd12 N40 O46 -","2","0.25","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0325","0.0285","","","0.0744","0.0776","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208975","7.0454","0.0004","12.1205","0.0007","13.2868","0.0008","70.681","0.001","86.723","0.001","80.613","0.001","1056.38","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H27 Co N3 O14 S -","- C11 H27 Co N3 O14 S -","- C22 H54 Co2 N6 O28 S2 -","2","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0395","0.0365","","","0.0964","0.0981","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208976","24.075","0.007","9.496","0.003","14.226","0.004","90","","122.425","0.004","90","","2745.2","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N3 O7 S -","- C11 H13 Cu N3 O7 S -","- C88 H104 Cu8 N24 O56 S8 -","8","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0482","0.0412","","","0.1081","0.1152","","","","","","1.051","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208977","8.6706","0.0008","21.5919","0.0019","6.9169","0.0006","90","","90.171","0.001","90","","1294.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N3 O6 S -","- C11 H11 Cd N3 O6 S -","- C44 H44 Cd4 N12 O24 S4 -","4","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0402","0.0302","","","0.0706","0.075","","","","","","1.079","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208978","13.2467","0.0003","28.8514","0.0008","32.3635","0.0008","90","","90","","90","","12368.9","0.5","133.1","","133.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H87 N5 O5 -","- C67 H87 N5 O5 -","- C536 H696 N40 O40 -","8","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Takahashi, Hiroki; Tamura, Rui","Solid‒gas sorption behavior of a new polymorph of azacalix[5]arene pentamethyl ether as controlled by crystal architecture","CrystEngComm","2013","15","8","1536","","10.1039/c2ce26339d","","","0.71075","MoKα","","","0.088","","","","0.2478","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208979","5.9638","0.0015","12.926","0.003","9.457","0.002","90","","92.71","0.005","90","","728.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N3 -","- C8 H6 Cu N3 -","- C32 H24 Cu4 N12 -","4","1","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","0.71073","MoKα","","0.0829","0.0574","","","0.1556","0.2326","","","","","","1.002","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208980","12.3244","0.0002","12.3244","0.0002","5.9519","0.0002","90","","90","","90","","904.04","0.04","293","2","293","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C7 H4 Cu2 N4 S -","- C7 H4 Cu2 N4 S -","- C28 H16 Cu8 N16 S4 -","4","0.5","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","1.54178","CuKα","","0.0984","0.0905","","","0.2143","0.2168","","","","","","1.119","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208981","22.891","0.002","22.891","0.002","13.1165","0.0011","90","","90","","120","","5952.2","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H104 Cd7 N12 O50 P6 -","- C54 H60 Cd7 N12 O50 P6 -","- C162 H180 Cd21 N36 O150 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0497","0.0443","","","0.1088","0.1123","","","","","","1.148","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208982","22.506","0.0013","22.506","0.0013","13.2344","0.0013","90","","90","","120","","5805.4","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H106 Mn7 N12 O51 P6 -","- C54 H60 Mn7 N12 O51 P6 -","- C162 H180 Mn21 N36 O153 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0929","0.0747","","","0.1814","0.1957","","","","","","1.076","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208983","9.484","0.006","8.377","0.005","18.414","0.012","90","","103.319","0.012","90","","1423.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Co N2 O8 P -","- C9 H13 Co N2 O8 P -","- C36 H52 Co4 N8 O32 P4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0897","0.0682","","","0.1635","0.1786","","","","","","1.12","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208984","8.6361","0.0011","10.8402","0.0015","19.795","0.003","90","","95.624","0.003","90","","1844.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0309","0.0251","","","0.0549","0.056","","","","","","0.989","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208985","9.955","0.006","19.393","0.011","10.077","0.006","90","","108.59","0.011","90","","1843.9","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0464","0.0358","","","0.0704","0.074","","","","","","0.915","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208986","59.6523","0.0011","8.2064","0.0001","16.9558","0.0002","90","","95.447","0.001","90","","8262.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Gd4 O42 -","- C84 H48 Gd4 O42 -","- C336 H192 Gd16 O168 -","4","0.5","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0653","0.0355","","","0.0696","0.0792","","","","","","0.964","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208987","9.9474","0.0001","15.6416","0.0002","28.7511","0.0004","90","","95.117","0.001","90","","4455.65","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H42 Gd2 O24 -","- C42 H24 Gd2 O24 -","- C168 H96 Gd8 O96 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0549","0.0404","","","0.0985","0.1057","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208988","23.662","0.004","6.0657","0.001","29.414","0.006","90","","102.03","0.07","90","","4129","1.7","293","2","293","2","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 La2 O21 -","- C42 H24 La2 O21 -","- C168 H96 La8 O84 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71069","MoKα","","0.0532","0.0353","","","0.0812","0.0886","","","","","","1.024","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208989","12.0511","0.0004","14.9625","0.0005","16.2348","0.0005","76.487","0.003","86.836","0.003","72.44","0.003","2713.33","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 N8 Ni O22.5 Ta -","- C56 H37 N8 Ni O22.511 Ta -","- C112 H74 N16 Ni2 O45.022 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0752","0.0586","","","0.1315","0.1356","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208990","11.6629","0.0003","13.5404","0.0004","16.0209","0.0004","65.972","0.003","80.64","0.002","76.627","0.002","2241.45","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 N6 Ni O21 Ta -","- C42 H39 N6 Ni O21 Ta -","- C84 H78 N12 Ni2 O42 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0397","0.0321","","","0.0694","0.0731","","","","","","1.022","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208991","11.5314","0.0006","12.6938","0.0006","15.613","0.0008","108.324","0.004","92.332","0.004","109.013","0.004","2024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H31 N6 Ni O14 Ta -","- C44 H31 N6 Ni O14 Ta -","- C88 H62 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0474","0.0277","","","0.0502","0.053","","","","","","0.876","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208992","11.4776","0.0002","12.6662","0.0002","15.53","0.0001","110.145","0.001","90.867","0.001","109.593","0.002","1974.97","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 N6 Ni O14 Ta -","- C43 H29 N6 Ni O14 Ta -","- C86 H58 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0212","0.0184","","","0.0433","0.0446","","","","","","1.048","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208993","33.748","0.013","34.172","0.014","3.7629","0.0015","90","","90","","90","","4340","3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","1,3-Bis(cyanoxime)benzene, monohydrate","1,3-Bis(cyanoxime)benzene, monohydrate","","- C10 H7 N4 O2.5 -","- C10 H7 N4 O2.5 -","- C160 H112 N64 O40 -","16","1","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0872","0.06","","","0.1413","0.1582","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208994","7.9182","0.001","13.0263","0.0016","13.5001","0.0016","90","","90","","90","","1392.5","0.3","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","1,3-bis-cyanoxime(benzene), DMF solvate","1,3-bis-cyanoxime(benzene), DMF solvate","","- C13 H13 N5 O3 -","- C13 H13 N5 O3 -","- C52 H52 N20 O12 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0835","0.0665","","","0.1848","0.1991","","","","","","1.108","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208995","5.1519","0.0009","11.244","0.002","16.37","0.003","90","","90","","90","","948.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4-bis(cyanoxime)benzene","1,4-bis(cyanoxime)benzene","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0934","0.0635","","","0.1809","0.2028","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208996","6.2397","0.0004","7.8663","0.0005","9.624","0.0006","81.374","0.001","80.696","0.001","72.025","0.001","440.88","0.05","129","2","129","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(cyanoxime)benzene, DMSO solvate","1,4-bis(cyanoxime)benzene, DMSO solvate","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","1","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0305","0.0269","","","0.0706","0.0738","","","","","","1.065","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208997","7.8908","0.0007","16.1902","0.0014","27.1562","0.0019","90","","102.083","0.002","90","","3392.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 N12 O16 Pb2 -","- C80 H60 N12 O16 Pb2 -","- C160 H120 N24 O32 Pb4 -","2","0.5","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71073","MoKα","","0.0622","0.0356","","","0.0643","0.0701","","","","","","0.949","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208998","10.589","0.005","22.803","0.005","14.703","0.005","90","","97.504","0.005","90","","3520","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N10 O6 Pb -","- C41 H28 N10 O6 Pb -","- C164 H112 N40 O24 Pb4 -","4","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.1255","0.0484","","","0.099","0.125","","","","","","0.975","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208999","14.32","0.005","14.58","0.005","16.195","0.005","86.729","0.005","84.156","0.005","79.526","0.005","3305.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 N12 O14 Pb3 -","- C72 H60 N12 O14 Pb3 -","- C144 H120 N24 O28 Pb6 -","2","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.0646","0.0371","","","0.1027","0.1351","","","","","","1.029","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7209000","20.463","0.004","20.463","0.004","27.88","0.007","90","","90","","120","","10110","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16.5 H17.5 N1.5 Na O9.5 V -","- C12 H4 Na O9 V -","- C216 H72 Na18 O162 V18 -","18","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.061","0.0385","","","0.0904","0.0956","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209001","18.079","0.004","16.435","0.003","11.603","0.002","90","","90","","90","","3447.6","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H42 Li N3 O13 V -","- C30 H42 Li N3 O13 V -","- C120 H168 Li4 N12 O52 V4 -","4","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.1045","0.0609","","","0.1293","0.148","","","","","","1.004","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209002","9.2812","0.0005","10.8141","0.0007","17.5421","0.0012","90.146","0.004","96.815","0.004","99.763","0.003","1722.44","0.19","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H45 N3 O11 -","- C35 H45 N3 O11 -","- C70 H90 N6 O22 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.0999","0.0761","","","0.1692","0.1942","","","","","","1.13","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209003","9.5432","0.0016","10.525","0.0019","17.119","0.003","105.358","0.008","93.281","0.009","96.235","0.009","1641.6","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 O11 S2 -","- C32 H40 O11 S2 -","- C64 H80 O22 S4 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.125","0.0587","","","0.1416","0.1827","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209004","21.4901","0.0011","21.4901","0.0011","42.883","0.004","90","","90","","90","","19804","2","143","2","143","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","12C4","","","- C70 H48 O21 Zn4 -","- C70 H48 O21 Zn4 -","- C280 H192 O84 Zn16 -","4","0.25","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.1245","0.0767","","","0.2138","0.2301","","","","","","0.945","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209005","21.4744","0.0013","21.4744","0.0013","21.4744","0.0013","90","","90","","90","","9902.9","1","153","2","153","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","15C5","","","- C60 H24 O13 Zn4 -","- C60 H18 O13 Zn4 -","- C120 H36 O26 Zn8 -","2","0.0208333","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.146","0.0921","","","0.2759","0.315","","","","","","1.105","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209006","17.79","0.002","15.5454","0.0017","9.3054","0.001","90","","114.886","0.002","90","","2334.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","1_CS2","","","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C89.74 H88 Cd4 Cl8 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0449","0.0427","","","0.1063","0.1078","","","","","","1.105","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209007","17.179","0.002","15.8014","0.0019","9.6965","0.0011","90","","114.179","0.002","90","","2401.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","2_2MeOH","","","- C46 H52 Br4 Cd2 N8 O2 -","- C46 H52 Br4 Cd2 N8 O2 -","- C92 H104 Br8 Cd4 N16 O4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0385","0.0331","","","0.0815","0.0848","","","","","","1.04","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209008","17.478","0.002","15.809","0.002","9.3913","0.0013","90","","114.457","0.002","90","","2362.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C89.74 H88 Br8 Cd4 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0624","0.0439","","","0.0929","0.0994","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209009","18.001","0.003","15.844","0.003","9.353","0.0015","90","","114.239","0.003","90","","2432.4","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","2_vac","","","- C44 H44 Br4 Cd2 N8 -","- C44 H44 Br4 Cd2 N8 -","- C88 H88 Br8 Cd4 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0928","0.0454","","","0.0937","0.1125","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209010","17.799","0.002","16.188","0.002","9.4162","0.0012","90","","113.843","0.002","90","","2481.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CH2Cl2","","","- C45 H46 Cd2 Cl2 I4 N8 -","- C45.04 H46.08 Cd2 Cl2.08 I4 N8 -","- C90.08 H92.16 Cd4 Cl4.16 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0407","0.0311","","","0.0674","0.09","","","","","","1.165","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209011","18.281","0.003","16.193","0.003","9.2445","0.0017","90","","113.271","0.003","90","","2514","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CHCl3","","","- C45 H45 Cd2 Cl3 I4 N8 -","- C45 H45 Cd2 Cl3 I4 N8 -","- C90 H90 Cd4 Cl6 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0585","0.0535","","","0.1419","0.1447","","","","","","1.109","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209012","17.584","0.003","16.19","0.003","9.4187","0.0015","90","","113.809","0.002","90","","2453.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CS2","","","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C89.52 H88 Cd4 I8 N16 S3.04 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0869","0.0775","","","0.1562","0.1596","","","","","","1.347","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209013","18.081","0.002","16.3388","0.0018","9.322","0.001","90","","113.628","0.002","90","","2523.1","0.5","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","3_vac","","","- C44 H44 Cd2 I4 N8 -","- C44 H44 Cd2 I4 N8 -","- C88 H88 Cd4 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0577","0.052","","","0.143","0.148","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209014","20.94","0.004","10.563","0.002","14.998","0.003","90","","91.14","0.03","90","","3316.7","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-p-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C128 H112 N32 S32 -","16","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0466","0.033","","","0.077","0.0844","","","","","","1.086","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209015","5.9118","0.0012","13.36","0.003","10.963","0.002","90","","105.11","0.03","90","","835.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-m-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C32 H28 N8 S8 -","4","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0371","0.0362","","","0.0935","0.0945","","","","","","1.048","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209016","7.8589","0.0016","14.917","0.003","55.362","0.011","90","","92.445","0.003","90","","6484","2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-o-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C256 H224 N64 S64 -","32","8","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.1679","0.0746","","","0.1366","0.1696","","","","","","0.983","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209017","7.7097","0.0011","19.332","0.002","9.3678","0.0012","90","","93.144","0.009","90","","1394.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","2","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0582","0.0359","","","0.0767","0.0864","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209018","9.893","0.0002","9.893","0.0002","40.122","0.0016","90","","90","","90","","3926.8","0.19","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C176 H240 O16 -","8","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0958","0.0531","","","0.0894","0.1012","","","","","","1.057","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209019","9.4979","0.0004","16.7194","0.0006","5.6273","0.0002","90","","90","","90","","893.61","0.06","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0426","0.0336","","","0.0879","0.0941","","","","","","1.059","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209020","9.6636","0.0024","23.3522","0.0052","11.4105","0.0027","90","","114.896","0.0147","90","","2335.7","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O -","- C11 H15 Br O -","- C88 H120 Br8 O8 -","8","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0931","0.0435","","","0.0813","0.0937","","","","","","0.936","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209021","19.2144","0.0006","13.7947","0.0004","23.5076","0.0007","90","","106.596","0.0016","90","","5971.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C256 H288 O32 -","16","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.1185","0.0861","","","0.2584","0.3044","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209022","12.4527","0.0018","13.616","0.002","13.984","0.002","90","","90","","90","","2371.1","0.6","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C2 H6 Mn O6 S -","- C2 H6 Mn O6 S -","- C32 H96 Mn16 O96 S16 -","16","0.5","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.021","0.0202","","","0.0553","0.0558","","","","","","1.05","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209023","13.0864","0.001","11.9903","0.0009","14.3224","0.0011","90","","90.897","0.002","90","","2247.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mn2 N4 O18 S4 -","- C8 H28 Mn2 N4 O18 S4 -","- C32 H112 Mn8 N16 O72 S16 -","4","1","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.0568","0.0447","","","0.1167","0.1238","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209024","4.0517","0.0004","13.9045","0.0014","10.2601","0.0011","90","","94.72","0.004","90","","576.06","0.1","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C22 H26 N6 O6 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0396","0.0363","","","0.0957","0.0995","","","","","","1.072","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209025","21.0949","0.0017","10.5185","0.0008","3.8315","0.0004","90","","90","","90","","850.16","0.13","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0316","0.0299","","","0.0747","0.0759","","","","","","1.125","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209026","11.4954","0.0017","10.6744","0.0017","15.506","0.003","90","","90","","90","","1902.7","0.6","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0495","0.0377","","","0.092","0.0987","","","","","","1.037","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209027","13.9556","0.0014","10.0763","0.0011","8.6383","0.0008","90","","101.106","0.003","90","","1192","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0384","0.0347","","","0.0912","0.0939","","","","","","1.043","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209028","21.6741","0.0018","3.7762","0.0003","21.1734","0.0018","90","","102.254","0.005","90","","1693.5","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C88 H64 N16 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0377","0.0349","","","0.092","0.0951","","","","","","1.079","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209029","14.2517","0.0008","8.1077","0.0006","8.9124","0.0006","90","","90","","90","","1029.81","0.12","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","0.5","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0397","0.0384","","","0.0942","0.0952","","","","","","1.07","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209030","9.1149","0.0002","10.1937","0.0002","10.128","0.0002","90","","91.9285","0.0012","90","","940.51","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0326","0.0307","","","0.0771","0.0789","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209031","34.844","0.003","13.5225","0.0011","6.7362","0.0005","90","","91.412","0.003","90","","3173","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 F0 N12 O4 S0 -","- C44 H36 Ag2 N12 O4 -","- C88 H72 Ag4 N24 O8 -","2","0.25","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0654","0.0578","","","0.1581","0.1621","","","","","","1.189","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209032","11.3883","0.0012","9.4818","0.001","15.1208","0.0016","90","","110.395","0.004","90","","1530.4","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag F3 N3 O4 S -","- C12 H9 Ag F3 N3 O4 S -","- C48 H36 Ag4 F12 N12 O16 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0317","0.0292","","","0.071","0.0726","","","","","","1.122","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209033","12.0134","0.0006","9.9549","0.0005","13.2918","0.0007","90","","90.9902","0.0014","90","","1589.36","0.14","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Ag F3 N3 O5 S -","- C12 H11 Ag F3 N3 O5 S -","- C48 H44 Ag4 F12 N12 O20 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0512","0.0485","","","0.0991","0.1009","","","","","","1.208","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209034","10.2591","0.0008","10.2823","0.0008","11.0872","0.0015","96.288","0.005","103.286","0.005","116.555","0.004","987.45","0.18","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H9 Ag2 F6 N3 O7 S2 -","- C13 H9 Ag2 F6 N3 O7 S2 -","- C26 H18 Ag4 F12 N6 O14 S4 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0415","0.0373","","","0.1009","0.108","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209035","13.64","0.002","10.7221","0.0019","18.581","0.003","90","","96.22","0.002","90","","2701.5","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O10 P3 -","- C24 H27 N4 O10 P3 -","- C96 H108 N16 O40 P12 -","4","1","","Chen, Shuo-ping; Deng, Pu; Yuan, Chu-feng; Yuan, Liang-jie","A novel organic salt with water/humidity-induced fluorescence switching and heat-induced coloration performance","CrystEngComm","2013","15","7","1414","","10.1039/c2ce26457a","","","0.71073","MoKα","","0.0743","0.0565","","","0.1562","0.1664","","","","","","1.1","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209036","37.4921","0.0009","37.4921","0.0009","37.4921","0.0009","90","","90","","90","","52701","2","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C141.17 H156.92 Cl7.75 Co N10 O8.58 -","- C140 H144 Cl6 Co N10 O8 -","- C1680 H1728 Cl72 Co12 N120 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6884","synchrotron","","0.1797","0.1455","","","0.4179","0.4358","","","","","","1.581","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209037","37.5208","0.0002","37.5208","0.0002","37.5208","0.0002","90","","90","","90","","52822.2","0.5","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C147.33 H174.33 Cl10.08 Co N9 O11.33 -","- C134 H144 Cl0.0833333 Co N9 O8 -","- C1608 H1728 Cl Co12 N108 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0676","0.0611","","","0.1842","0.1901","","","","","","1.085","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209038","37.1172","0.0004","37.1172","0.0004","37.1172","0.0004","90","","90","","90","","51135.9","1","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C136.33 H155.33 Cl0.17 Co N9 O13.33 -","- C133.6 H144 Cl0.166667 Co N9 O10.5 -","- C1603.2 H1728 Cl2 Co12 N108 O126 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6709","synchrotron","","0.1838","0.1444","","","0.4132","0.4396","","","","","","1.651","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209039","37.5512","0.0003","37.5512","0.0003","37.5512","0.0003","90","","90","","90","","52950.7","0.7","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169.08 H215.58 Co N9 O20.75 -","- C133.732 H144 Co N9 O9 -","- C1604.78 H1728 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0944","0.0876","","","0.2881","0.3008","","","","","","1.338","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209040","37.627","0.004","37.627","0.004","37.627","0.004","90","","90","","90","","53272","10","150","2","150","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H150.25 Br2 Cl4.25 Co N8 O9.42 -","- C128 H144 Br2 Co N8 O8 -","- C1536 H1728 Br24 Co12 N96 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1351","0.1172","","","0.3544","0.3724","","","","","","1.471","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209041","37.2791","0.0003","37.2791","0.0003","37.2791","0.0003","90","","90","","90","","51807.9","0.7","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42 -","- C128 H144 Br0.87 Co N8 O10 -","- C1536 H1728 Br10.44 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1228","0.1025","","","0.3268","0.3473","","","","","","1.375","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209042","37.017","0.004","37.017","0.004","37.017","0.004","90","","90","","90","","50723","9","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.17 H153.42 Br1.32 Cl3.25 Co N8 O11.08 -","- C128 H144 Br1.317 Co N8 O10 -","- C1536 H1728 Br15.804 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.158","0.1359","","","0.3776","0.4015","","","","","","1.535","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209043","37.458","0.005","37.458","0.005","37.458","0.005","90","","90","","90","","52557","12","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H157 Co N9 O8 -","- C132 H155 Co N9 O10 -","- C1584 H1860 Co12 N108 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1497","0.1354","","","0.389","0.3993","","","","","","1.6","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209044","37.23","0.004","37.23","0.004","37.23","0.004","90","","90","","90","","51603","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C128 H146 Cl2 Co N8 O10 -","- C128 H144 Cl2 Co N8 O10 -","- C1536 H1728 Cl24 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1885","0.1749","","","0.465","0.4776","","","","","","2.003","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209045","37.365","0.004","37.365","0.004","37.365","0.004","90","","90","","90","","52167","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.5 H154.25 Cl5.02 Co N8 O11.25 -","- C128 H144 Cl1.35 Co N8 O10 -","- C1536 H1728 Cl16.2 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1491","0.1318","","","0.3742","0.3949","","","","","","1.647","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209046","37.6395","0.0003","37.6395","0.0003","37.6395","0.0003","90","","90","","90","","53325.1","0.7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130 H157.17 Cl1.5 Co N8 O12.67 -","- C129 H144 Co N8 O12 -","- C1548 H1728 Co12 N96 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1101","0.1043","","","0.3445","0.3528","","","","","","1.603","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209047","37.5719","0.0016","37.5719","0.0016","37.5719","0.0016","90","","90","","90","","53038","4","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C135.5 H157.17 Co N12 O8.75 -","- C134 H144 Co N12 O10.0833 -","- C1608 H1728 Co12 N144 O121 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6939","synchrotron","","0.1037","0.0835","","","0.2717","0.295","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209048","37.603","0.003","37.603","0.003","37.603","0.003","90","","90","","90","","53170","7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C144.5 H184.25 Cl9.75 Co N12 O15.25 -","- C138 H144 Co N12 O12 -","- C1656 H1728 Co12 N144 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1223","0.1171","","","0.3932","0.4004","","","","","","1.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209049","37.3922","0.0002","37.3922","0.0002","37.3922","0.0002","90","","90","","90","","52280.9","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C152.5 H176.5 Co N11.5 O8.5 -","- C152.5 H176 Co N11.5 O8.5 -","- C1830 H2112 Co12 N138 O102 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1611","0.1508","","","0.4504","0.4565","","","","","","2.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209050","37.4908","0.0002","37.4908","0.0002","37.4908","0.0002","90","","90","","90","","52695.6","0.5","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H155 Cl3 Co N9 O9 -","- C132 H145 Cl3 Co N9 O9 -","- C1584 H1740 Cl36 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.671","synchrotron","","0.1843","0.1458","","","0.4153","0.459","","","","","","2.041","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209051","21.336","0.008","16.819","0.006","18.474","0.007","90","","114.455","0.005","90","","6035","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H146 Cl6 Co N8 O8 -","- C130 H146 Cl6 Co N8 O8 -","- C260 H292 Cl12 Co2 N16 O16 -","2","0.5","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.0732","0.0684","","","0.1882","0.1949","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209052","21.8547","0.0012","21.8547","0.0013","16.8466","0.0012","90","","90","","120","","6968.4","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Cu3 N12 O6 S3 -","- C33 H54 Cu3 N12 O6 S3 -","- C198 H324 Cu18 N72 O36 S18 -","6","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0299","","","0.0645","0.0712","","","","","","1.036","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209053","20.274","0.003","20.274","0.003","11.094","0.002","90","","90","","120","","3949.1","1.1","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C49 H64 Cu3 N6 O13 -","- C49.02 H60.03 Cu3 N6 O12.99 -","- C147.06 H180.09 Cu9 N18 O38.97 -","3","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0384","","","0.075","0.0783","","","","","","1.017","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209054","16.5587","0.0011","12.7837","0.0011","19.7939","0.0012","90","","110.863","0.005","90","","3915.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cu3 N15 O6 -","- C29 H38 Cu3 N15 O6 -","- C116 H152 Cu12 N60 O24 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.1293","0.0599","","","0.1025","0.1209","","","","","","0.966","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209055","17.353","0.0008","17.7311","0.0008","7.5449","0.0003","90","","90.105","0.001","90","","2321.47","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Co0.5 N O7.5 P2 -","- C7 H12 Co0.5 N O7.5 P2 -","- C56 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0427","0.0351","","","0.0955","0.0995","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209056","17.3268","0.0006","17.6256","0.0006","7.5134","0.0003","90","","90.08","0.001","90","","2294.55","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 N Ni0.5 O7.5 P2 -","- C7 H12 N Ni0.5 O7.5 P2 -","- C56 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0372","0.0348","","","0.0966","0.0983","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209057","17.0884","0.0011","18.6492","0.0011","7.5691","0.0004","90","","90.174","0.001","90","","2412.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co0.5 N O7.5 P2 -","- C8 H12 Co0.5 N O7.5 P2 -","- C64 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0496","0.0377","","","0.1011","0.1075","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209058","17.096","0.0008","18.5599","0.0008","7.5289","0.0004","90","","90.223","0.001","90","","2388.9","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N Ni0.5 O7.5 P2 -","- C8 H12 N Ni0.5 O7.5 P2 -","- C64 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0592","0.0482","","","0.1956","0.2264","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209059","14.1357","0.0007","14.1357","0.0007","17.7983","0.0017","90","","90","","90","","3556.4","0.4","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C112 H132 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","1","0.125","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.078","0.0664","","","0.1935","0.2046","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209060","13.5842","0.0004","13.5842","0.0004","14.8502","0.0009","90","","90","","120","","2373.18","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H30 Cl2 Cu N8 O5 -","- C28 H30 Cl2 Cu N8 O5 -","- C84 H90 Cl6 Cu3 N24 O15 -","3","0.5","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.0245","0.0237","","","0.0785","0.0799","","","","","","0.685","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209061","13.292","0.003","15.146","0.003","19.946","0.004","90","","102.23","0.03","90","","3924.4","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H55 B N10 Ni2 O47 W12 -","- C50 H40 B N10 Ni2 O47 W12 -","- C100 H80 B2 N20 Ni4 O94 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0993","0.0646","","","0.127","0.1468","","","","","","1.067","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209062","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Cl2 N10 Ni2 O43 Si W12 -","- C50 H40 Cl2 N10 Ni2 O43 Si W12 -","- C100 H80 Cl4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.119","0.0698","","","0.1645","0.2042","","","","","","1.034","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209063","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Br2 N10 Ni2 O43 Si W12 -","- C50 H40 Br2 N10 Ni2 O43 Si W12 -","- C100 H80 Br4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1266","0.0772","","","0.1844","0.2161","","","","","","1.049","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209064","12.216","0.002","17.998","0.003","21.073","0.004","68.599","0.002","86.811","0.002","83.191","0.002","4282.9","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1218","0.0695","","","0.1633","0.1883","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209065","12.2184","0.0012","17.9919","0.0018","21.077","0.002","68.66","0.002","86.836","0.002","83.211","0.002","4285.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0879","0.0633","","","0.1302","0.1423","","","","","","1.097","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209066","16.523","0.0001","15.9952","0.0003","5.4792","0.0003","90","","90","","90","","1448.09","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0425","0.0357","","","0.0911","0.096","","","","","","1.027","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209067","27.495","0.002","14.043","0.002","4.0898","0.0004","90","","90","","90","","1579.1","0.3","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0697","0.0428","","","0.0932","0.1057","","","","","","1.061","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209068","9.3853","0.0014","9.5439","0.0019","10.2148","0.0016","79.25","0.013","66.306","0.01","80.437","0.013","818.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N6 O4.5 Zn -","- C14 H12 N6 O4.5 Zn -","- C28 H24 N12 O9 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0747","0.0495","","","0.1342","0.2245","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209069","9.478","0.002","9.956","0.003","11.461","0.004","85.54","0.02","82.98","0.02","63.499","0.016","960.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N7 O9 Zn -","- C14 H11 N7 O9 Zn -","- C28 H22 N14 O18 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0639","0.0537","","","0.1381","0.1469","","","","","","1.091","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209070","20.91","0.004","10.2807","0.0013","20.029","0.003","90","","120.564","0.003","90","","3707.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 I N6 O6 Zn -","- C14 H15 I N6 O6 Zn -","- C112 H120 I8 N48 O48 Zn8 -","8","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0524","0.0413","","","0.1233","0.1357","","","","","","1.028","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209071","13.178","0.004","14.361","0.004","16.553","0.004","90","","101.428","0.006","90","","3070.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N12 O13 S Zn -","- C20 H32 N12 O13 S Zn -","- C80 H128 N48 O52 S4 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0952","0.0675","","","0.1498","0.1629","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209072","7.0083","0.0016","16.147","0.003","17.274","0.004","90","","93.804","0.006","90","","1950.5","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N6 O9 Zn -","- C15 H14 N6 O9 Zn -","- C60 H56 N24 O36 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.0694","0.0557","","","0.1425","0.1515","","","","","","1.064","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209073","17.86","0.002","9.6438","0.001","23.297","0.003","90","","104.683","0.003","90","","3881.6","0.8","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N12 O16.5 Zn3 -","- C30 H30 N12 O16.5 Zn3 -","- C120 H120 N48 O66 Zn12 -","4","0.5","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.1118","0.0688","","","0.1492","0.1694","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209074","10.7197","0.0002","11.1072","0.0002","13.5033","0.0003","66.951","0.001","68.682","0.001","85.301","0.001","1374.78","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H78 O4 -","- C66 H78 O4 -","- C66 H78 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0654","0.0456","","","0.1096","0.1216","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209075","14.2198","0.0006","16.0642","0.0008","9.3447","0.0004","90","","105.109","0.002","90","","2060.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 N2 O2 -","- C52 H52 N2 O2 -","- C104 H104 N4 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0643","0.0436","","","0.1059","0.1178","","","","","","1.015","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209076","27.8442","0.0011","9.5895","0.0003","14.243","0.0006","90","","90.527","0.002","90","","3802.9","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C50 H46 O4 -","- C50 H46 O4 -","- C200 H184 O16 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0712","0.0585","","","0.1545","0.1627","","","","","","1.077","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209077","10.6049","0.0002","11.0553","0.0003","13.1571","0.0003","106.016","0.001","95.625","0.001","93.744","0.001","1468.64","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0602","0.044","","","0.1197","0.1359","","","","","","1.002","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209078","8.975","0.0002","10.0343","0.0002","12.5415","0.0003","93.415","0.001","100.351","0.001","110.989","0.001","1027.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C52 H50 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0659","0.0557","","","0.1476","0.1575","","","","","","1.029","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209079","11.4578","0.0002","12.9959","0.0002","14.1065","0.0003","64.774","0.001","80.205","0.001","73.551","0.001","1819.47","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0487","0.0387","","","0.11","0.1192","","","","","","0.985","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209080","12.1123","0.0003","15.8485","0.0004","27.3301","0.0007","90","","99.504","0.001","90","","5174.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 O3 -","- C64 H72 O3 -","- C256 H288 O12 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.1105","0.0526","","","0.1143","0.1419","","","","","","1.005","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209081","15.4565","0.0002","28.6559","0.0003","16.8825","0.0002","90","","91.2664","0.0006","90","","7475.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H44 Cd7.5 N51 O6.5 -","- C42.5 H35 Cd7.5 N51 O6.5 -","- C170 H140 Cd30 N204 O26 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Azide-bridged Cd(ii) 1D coordination polymer with Cd13 nano-crown-like cluster","CrystEngComm","2013","15","4","650","","10.1039/c2ce26525g","","","0.71073","MoKα","","0.0994","0.037","","","0.0677","0.0773","","","","","","0.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209082","8.173","0.012","11.626","0.017","11.735","0.017","64.73","0.02","74.09","0.03","89.31","0.03","963","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","","- C13 H16 N12 O7 -","- C13 H16 N12 O7 -","- C26 H32 N24 O14 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.118","0.0588","","","0.1247","0.1475","","","","","","0.949","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209083","6.453","0.015","10.37","0.02","17.84","0.04","97.8","0.04","90.44","0.04","98.27","0.04","1170","4","446","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 N12 O8 -","- C12 H22 Cl2 N12 O8 -","- C24 H44 Cl4 N24 O16 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.1885","0.1274","","","0.2859","0.3157","","","","","","1.183","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209084","7.1159","0.0014","17.478","0.003","15.208","0.003","90","","96.66","0.03","90","","1878.7","0.6","113","2","113.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C37 H34 Cd Cl2 N8 O10 -","- C37 H28 Cd Cl2 N8 O10 -","- C74 H56 Cd2 Cl4 N16 O20 -","2","0.25","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.0551","0.0542","","","0.1452","0.1461","","","","","","1.068","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209085","10.558","0.002","25.831","0.005","16.593","0.003","90","","96.93","0.03","90","","4492.2","1.5","113","2","113.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H28 Cd Cl2 N8 O4 -","- C36 H28 Cd Cl2 N8 O4 -","- C144 H112 Cd4 Cl8 N32 O16 -","4","1","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.1078","0.0694","","","0.1566","0.1746","","","","","","1.051","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209086","22.5733","0.0013","4.89448","0.00021","18.3874","0.0009","90","","108.519","0.0027","90","","1926.33","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","from D:/data/P.Sapui/gsas_26052012/ps1.cif","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C84 H72 Cl4 N4 O24 -","4","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","powder diffraction","x-ray","1.5406","","","","","","","","","0.06165","","2.31","","","","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209087","11.858","0.003","4.8452","0.0009","16.785","0.003","90","","102.47","0.02","90","","941.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C42 H36 Cl2 N2 O12 -","2","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","","","0.71073","MoKα","","0.1903","0.0882","","","0.1219","0.1598","","","","","","0.998","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209088","46.332","0.002","46.332","0.002","12.6066","0.0006","90","","90","","120","","23436.4","1.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","DiOPrTetraAcidPy","","","- C58 H58 N4 O13 -","- C58 H56 N4 O13 -","- C1044 H1008 N72 O234 -","18","1","","Kennedy, Stuart; Cholewa, Piotr; McIntosh, Ruaraidh D.; Dalgarno, Scott J.","Eliminating disorder in a self-assembled calixarene nanotube","CrystEngComm","2013","15","8","1520","","10.1039/c2ce26536b","","","0.71073","MoKα","","0.1418","0.0977","","","0.2749","0.2901","","","","","","1.739","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209089","8.7709","0.0008","11.2786","0.0011","25.176","0.003","90","","90","","90","","2490.5","0.4","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C4 H18 In3 N3 O2 Te5 -","- C4 H13 In3 N3 O2 Te5 -","- C16 H52 In12 N12 O8 Te20 -","4","0.25","","Hu, Feilong; Zhou, Jian; Liu, Xing; Chen, Rong; Fu, Wensheng; Wei, Yuanchun","A novel 1-D telluridoindate based on rare tetramer [In4Te10]4− unit with photocatalytic properties","CrystEngComm","2013","15","6","1194","","10.1039/c2ce26537k","","","0.71073","MoKα","","0.0401","0.036","","","0.1109","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209090","8.9884","0.0009","9.3145","0.0009","9.8343","0.0011","94.624","0.004","104.185","0.003","98.138","0.005","784.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O12 Zn2 -","- C12 H11 N O12 Zn2 -","- C24 H22 N2 O24 Zn4 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0548","0.0493","","","0.1351","0.1401","","","","","","1.055","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209091","15.7991","0.0012","11.4257","0.0006","18.7582","0.0012","90","","103.367","0.004","90","","3294.4","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H19 N4 O10 Zn3 -","- C27 H19 N4 O10 Zn3 -","- C108 H76 N16 O40 Zn12 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0417","0.0369","","","0.1221","0.1287","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209092","6.761","0.002","10.374","0.003","11.889","0.003","92.286","0.004","95.457","0.002","98.643","0.004","819.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cd2 N O12 -","- C12 H13 Cd2 N O12 -","- C24 H26 Cd4 N2 O24 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0319","0.0232","","","0.0636","0.0887","","","","","","1.088","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209093","18.0861","0.0006","14.2083","0.0003","19.298","0.0005","90","","97.836","0.002","90","","4912.8","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H35 Cd4 N4 O22.5 -","- C34 H22 Cd4 N4 O22.5 -","- C136 H88 Cd16 N16 O90 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0455","0.0433","","","0.1184","0.1206","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209094","8.4133","0.0017","9.7073","0.0019","11.035","0.002","81.28","0.03","87.91","0.03","75.48","0.03","862.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(2-amino-1,3-benzothiazole-6-carboxylate)-cadmium(ii)","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C32 H20 Cd2 N8 O8 S4 -","2","1","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0381","0.0359","","","0.1004","0.1033","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209095","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C30 H10 Cd N4 O4 S2 -","- C120 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0781","0.0723","","","0.1873","0.1914","","","","","","1.322","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209096","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C64 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0604","0.0528","","","0.1738","0.1793","","","","","","1.239","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209097","32.122","0.017","15.681","0.008","7.105","0.004","90","","90","","90","","3579","3","105","2","105","2","","","","","","","","4","P m n a","-P 2ac 2","53","","2,2'-Bipyridine-5,5'-dicarboxylate.Bis(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a] pyrimidinium)","","- C13 H21 N4 O6.708 -","- C13 H21 N4 O6.71 -","- C104 H168 N32 O53.68 -","8","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.1259","0.0632","","","0.1614","0.1995","","","","","","1.008","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209098","8.5504","0.0012","9.4858","0.0013","10.3928","0.0014","66.749","0.001","69.257","0.001","89.901","0.002","714.86","0.17","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","1","0.5","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.0426","0.0382","","","0.103","0.1076","","","","","","1.056","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209099","10.395","0.002","12.82","0.003","13.611","0.003","78.43","0.03","76.51","0.03","74","0.03","1677.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3-methyl-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-methyl-4-nitrobenzoate.pentahydrate","","- C33 H32 Co N5 O12 -","- C33 H28 Co N5 O12 -","- C66 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0363","0.0313","","","0.0869","0.0906","","","","","","1.031","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209100","10.317","0.002","12.688","0.003","13.277","0.003","76.71","0.03","79.98","0.03","88.97","0.03","1665.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2-chloro-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chloro-4-nitrobenzoate.pentahydrate","","- C32 H29 Cl Co N5 O12 -","- C32 H25 Cl Co N5 O12 -","- C64 H50 Cl2 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0496","0.0435","","","0.1298","0.1361","","","","","","1.044","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209101","11.227","0.002","12.46","0.003","15.064","0.003","105.26","0.03","102.43","0.03","100.5","0.03","1920.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- methoxybenzoate.octahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-methoxybenzoate.octahydrate","","- C38 H41 Co N4 O14 -","- C38 H35 Co N4 O14 -","- C76 H70 Co2 N8 O28 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0823","0.0586","","","0.1476","0.1597","","","","","","1.053","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209102","10.287","0.002","13.078","0.003","13.134","0.003","70.22","0.03","83.92","0.03","72.95","0.03","1589.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 4-nitrobenzoate.pentahydrate","","- C32 H30 Co N5 O12 -","- C32 H28 Co N5 O12 -","- C64 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0536","0.0389","","","0.1061","0.1126","","","","","","1.038","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209103","11.284","0.002","12.636","0.003","14.396","0.003","67.41","0.03","77.95","0.03","64.21","0.03","1704.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- iodobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-iodobenzoate.heptahydrate","","- C32 H34 Co I N4 O12 -","- C32 H34 Co I N4 O12 -","- C64 H68 Co2 I2 N8 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.051","0.0414","","","0.1164","0.122","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209104","10.3056","0.0014","12.0933","0.0014","12.9967","0.0017","79.683","0.005","87.857","0.005","79.362","0.005","1566.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3- nitrobenzoate.tetrahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-nitrobenzoate.tetrahydrate","","- C32 H28 Co N5 O11 -","- C32 H24 Co N5 O11 -","- C64 H48 Co2 N10 O22 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.1112","0.0621","","","0.1291","0.1422","","","","","","1.036","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209105","16.3601","0.0003","16.1545","0.0003","14.0117","0.0003","90","","103.027","0.001","90","","3607.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- napthaleneacetate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-napthaleneacetate.heptahydrate","","- C37 H39 Co N4 O12 -","- C37 H39 Co N4 O12 -","- C148 H156 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0663","0.0376","","","0.086","0.0939","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209106","13.2762","0.0003","19.9687","0.0005","14.0664","0.0003","90","","115.851","0.001","90","","3355.95","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- chlorobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chlorobenzoate.heptahydrate","","- C32 H34 Cl Co N4 O12 -","- C32 H30 Cl Co N4 O12 -","- C128 H120 Cl4 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0846","0.0522","","","0.15","0.1681","","","","","","1.061","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209107","8.3012","0.0017","12.94","0.003","14.208","0.003","111.01","0.03","96.22","0.03","91.11","0.03","1413.5","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin-pyridine(1:1)","","- C13 H11 N5 O5 -","- C13 H11 N5 O5 -","- C52 H44 N20 O20 -","4","2","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0792","0.0721","","","0.1772","0.1831","","","","","","1.209","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209108","7.0324","0.0014","22.647","0.004","10.031","0.004","90","","112.38","0.02","90","","1477.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nitrofurantoin and 2-Picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0685","0.0603","","","0.1468","0.1595","","","","","","1.174","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209109","6.1489","0.0012","7.4328","0.0015","16.446","0.003","85.35","0.03","85.97","0.03","83.67","0.03","743.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Nitrofurantoin-3-picoline(1:1)","Nitrofurantoin-3-picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C28 H26 N10 O10 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0634","0.0607","","","0.1577","0.1606","","","","","","1.157","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209110","15.268","0.006","6.4161","0.0019","8.461","0.003","90","","105.286","0.005","90","","799.5","0.5","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1:1 solvate of nitrofurantoin, 3-picoline and water","1:1:1 solvate of nitrofurantoin, 3-picoline and water","","- C14 H15 N5 O6 -","- C14 H15 N5 O6 -","- C28 H30 N10 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.0345","0.0333","","","0.0823","0.0833","","","","","","1.075","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209111","14.84","0.003","8.0152","0.0016","12.951","0.003","90","","91.12","0.03","90","","1540.2","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 nitrofurantoin and 4-picoline","1:1 nitrofurantoin and 4-picoline","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.1049","0.0847","","","0.1879","0.2019","","","","","","1.183","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209112","8.1736","0.0016","9.3544","0.0019","11.894","0.002","103.46","0.03","109.31","0.03","90.14","0.03","831.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 nitrofurantoin, 2-pyridone and acetonitrile","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C30 H28 N12 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0642","0.0622","","","0.1714","0.1744","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209113","8.616","0.004","26.655","0.011","7.029","0.003","90","","100.722","0.009","90","","1586.1","1.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 salt of nitrofurantoin and 4-dimethylaminopyridine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C60 H64 N24 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.1133","0.0996","","","0.1785","0.1857","","","","","","1.247","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209114","7.2712","0.0015","18.918","0.004","15.451","0.004","90","","117.41","0.02","90","","1886.8","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","","- C17 H17 N7 O6 -","- C17 H17 N7 O6 -","- C68 H68 N28 O24 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0402","0.0382","","","0.0965","0.098","","","","","","1.118","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209115","7.1843","0.0007","11.8503","0.0012","13.9092","0.0014","114.553","0.003","95.716","0.001","91.176","0.002","1069.23","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N7 O10 -","- C20 H19 N7 O10 -","- C40 H38 N14 O20 -","2","1","","Seth, Saikat Kumar; Manna, Prankrishna; Singh, N. Jiten; Mitra, Monojit; Jana, Atish Dipankar; Das, Amrita; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Kim, Kwang S.","Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions","CrystEngComm","2013","15","7","1285","","10.1039/c2ce26577j","","","0.71073","MoKα","","0.0354","0.033","","","0.0894","0.0917","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209116","7.9465","0.0014","8.1567","0.0014","7.9743","0.0014","90","","116.379","0.011","90","","463.05","0.15","435","2","435","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","0.5","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0613","0.0444","","","0.1358","0.1459","","","","","","1.123","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209117","8.0233","0.0001","8.308","0.0002","13.5868","0.0003","90","","90","","90","","905.66","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0219","0.0187","","","0.0446","0.0463","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209118","7.8586","0.0005","8.0818","0.0005","7.8918","0.0005","90","","116.29","0.004","90","","449.38","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0308","0.023","","","0.0453","0.0459","","","","","","0.864","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209119","22.707","0.003","10.2165","0.0011","15.1394","0.0016","90","","124.543","0.001","90","","2892.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H22 Co N4 O6 S -","- C32 H22 Co N4 O6 S -","- C128 H88 Co4 N16 O24 S4 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0299","0.0283","","","0.0723","0.0735","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209120","49.698","0.004","7.2513","0.0006","21.8865","0.0019","90","","93.513","0.001","90","","7872.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H29 Co2 N6 O11 S -","- C43 H29 Co2 N6 O11 S -","- C344 H232 Co16 N48 O88 S8 -","8","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0772","0.051","","","0.1237","0.139","","","","","","1.039","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209121","14.909","0.003","7.1963","0.0015","24.592","0.005","90","","104.312","0.002","90","","2556.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H15 Co F6 N2 O4 -","- C26 H15 Co F6 N2 O4 -","- C104 H60 Co4 F24 N8 O16 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.1006","0.067","","","0.1487","0.1653","","","","","","1.015","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209122","39.7834","0.0004","39.7834","0.0004","39.7834","0.0004","90","","90","","90","","62965.9","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C166 H96 Cu24 N22 O78 -","- C166 H96 Cu24 N22 O78 -","- C1328 H768 Cu192 N176 O624 -","8","0.0416667","","Lian, Ting-Ting; Chen, Shu-Mei; Wang, Fei; Zhang, Jian","Metal‒organic framework architecture with polyhedron-in-polyhedron and further polyhedral assembly","CrystEngComm","2013","15","6","1036","","10.1039/c2ce26611c","","","0.71073","MoKα","","0.0589","0.0479","","","0.1447","0.1568","","","","","","1.117","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209123","18.2266","0.0006","10.3496","0.0004","9.1663","0.0003","90","","90","","90","","1729.11","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 N8 O3 Zn -","- C11 H9 N7 O2 Zn -","- C44 H36 N28 O8 Zn4 -","4","1","","Yang, E.; Li, Hong-Yan; Wang, Fei; Yang, Hui; Zhang, Jian","Enhancing CO2 adsorption enthalpy and selectivity via amino functionalization of a tetrahedral framework material","CrystEngComm","2013","15","4","658","","10.1039/c2ce26612a","","","0.71073","MoKα","","0.0509","0.0412","","","0.0951","0.1002","","","","","","1.008","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209124","9.4138","0.0006","12.1688","0.0008","13.0313","0.0009","88.29","0.008","88.203","0.008","71.209","0.008","1412.23","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N10 Ni S2 -","- C22 H24 N10 Ni S2 -","- C44 H48 N20 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.056","0.0431","","","0.1153","0.1212","","","","","","1.032","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209125","8.1708","0.0006","13.4538","0.0014","15.202","0.0013","101.707","0.011","99.997","0.01","96.51","0.011","1592.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N12 Ni S2 -","- C27 H29 N12 Ni S2 -","- C54 H58 N24 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0809","0.0633","","","0.167","0.1796","","","","","","0.985","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209126","8.3977","0.0007","11.9808","0.0012","15.0476","0.0012","98.015","0.011","100.532","0.009","94.328","0.011","1466","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N10 Ni O S2 -","- C24 H30 N10 Ni O S2 -","- C48 H60 N20 Ni2 O2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0652","0.0559","","","0.1812","0.1877","","","","","","1.063","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209127","6.9271","0.0007","8.0392","0.001","9.2125","0.001","107.194","0.013","112.256","0.012","99.445","0.013","430.91","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","1","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0604","0.0439","","","0.1085","0.1165","","","","","","0.996","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209128","7.3832","0.0004","10.0762","0.0004","13.9767","0.0007","90","","104.536","0.004","90","","1006.51","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 Ni O2 S2 -","- C14 H20 N6 Ni O2 S2 -","- C28 H40 N12 Ni2 O4 S4 -","2","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0339","0.0276","","","0.0695","0.0723","","","","","","1.06","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209129","9.05","0.0007","11.3575","0.0008","24.0133","0.0016","84.29","0.006","85.96","0.006","79.693","0.006","2412.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H44 N18 Ni2 O S4 -","- C39 H44 N18 Ni2 O S4 -","- C78 H88 N36 Ni4 O2 S8 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.1479","0.1077","","","0.2853","0.3258","","","","","","1.067","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209130","18.33206","0.00042","9.39332","0.00022","11.2837","0.00027","90","","124.643","0.0019","90","","1598.56","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 Ni S2 -","- C12 H12 N6 Ni S2 -","- C48 H48 N24 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.512","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7209131","14.2691","0.0011","5.6188","0.0004","13.7419","0.001","90","","101.886","0.009","90","","1078.14","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 Ni S2 -","- C7 H6 N4 Ni S2 -","- C28 H24 N16 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0707","0.0572","","","0.1506","0.1588","","","","","","1.093","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209132","13.8838","0.0008","10.1039","0.0006","18.7348","0.0011","90","","107.125","0.001","90","","2511.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl4 F8 N4 O4 -","- C58 H46 Cl4 F8 N4 O4 -","- C116 H92 Cl8 F16 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Lahti, Paul M.","A co-crystal of 2-(1′-pyrenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl with octafluoronaphthalene","CrystEngComm","2013","15","5","831","","10.1039/c2ce26621k","","","0.71073","MoKα","","0.0618","0.0442","","","0.1029","0.1161","","","","","","1.048","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209133","18.407","0.004","15.378","0.003","13.471","0.003","90","","128.44","0.03","90","","2986.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ag5 I7 N2 -","- C14 H18 Ag5 I7 N2 -","- C56 H72 Ag20 I28 N8 -","4","0.5","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.054","0.039","","","0.1196","0.1295","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209134","12.073","0.0017","12.073","0.0017","20.906","0.004","90","","90","","120","","2639","0.7","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag5 I7 N2 -","- C18 H26 Ag5 I7 N2 -","- C54 H78 Ag15 I21 N6 -","3","1","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.1064","0.0688","","","0.1801","0.2029","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209135","25.54","0.005","5.14","0.001","22.306","0.005","90","","117.73","0.03","90","","2591.9","1.2","173","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cu N2 O12 S2 -","- C29 H20 Cu N2 O12 S2 -","- C116 H80 Cu4 N8 O48 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.789","synchrotron","","0.0462","0.0454","","","0.125","0.1281","","","","","","1.088","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209136","27.191","0.002","18.5355","0.0014","16.3259","0.0012","90","","126.031","0.001","90","","6654.2","0.9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Cu N4 O7 S4 -","- C31 H26 Cu N4 O7 S4 -","- C248 H208 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.71073","MoKα","","0.0517","0.0324","","","0.0747","0.087","","","","","","1.071","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209137","7.6554","0.0004","8.3794","0.0004","9.4395","0.0004","78.649","0.001","69.631","0.001","73.884","0.001","541.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br2 Hg N2 -","- C9 H8 Br2 Hg N2 -","- C18 H16 Br4 Hg2 N4 -","2","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.0258","0.0238","","","0.0586","0.0596","","","","","","1.033","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209138","7.6657","0.0006","14.5794","0.0012","17.376","0.0014","90","","95.315","0.001","90","","1933.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Hg2.5 I5 N2 -","- C9 H8 Hg2.5 I5 N2 -","- C36 H32 Hg10 I20 N8 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.051","0.0442","","","0.1174","0.1228","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209139","7.1277","0.0013","21.708","0.004","7.7585","0.0014","90","","102.497","0.003","90","","1172","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Ag2 N3 O6 -","- C8 H9 Ag2 N3 O6 -","- C32 H36 Ag8 N12 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0286","0.0276","","","0.0723","0.0729","","","","","","1.082","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209140","13.715","0.0005","10.8413","0.0004","7.3319","0.0003","90","","102.586","0.004","90","","1063.97","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag2 N2 O6 -","- C8 H6 Ag2 N2 O6 -","- C32 H24 Ag8 N8 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0326","0.0288","","","0.0696","0.0714","","","","","","1.119","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209141","13.132","0.003","6.9261","0.0014","24.512","0.005","90","","90","","90","","2229.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N2 O7 -","- C8 H9 Ag N2 O7 -","- C64 H72 Ag8 N16 O56 -","8","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0497","0.0413","","","0.1026","0.1092","","","","","","1.048","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209142","6.7018","0.0013","22.923","0.005","15.748","0.003","90","","96.49","0.03","90","","2403.8","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Ag4 N6 O13 -","- C16 H20 Ag4 N6 O13 -","- C64 H80 Ag16 N24 O52 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0576","0.0421","","","0.0991","0.1141","","","","","","1.009","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209143","14.7762","0.0003","12.6035","0.0002","14.8514","0.0003","90","","93.044","0.001","90","","2761.9","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cu2 I2 N2 S2 -","- C22 H34 Cu2 I2 N2 S2 -","- C88 H136 Cu8 I8 N8 S8 -","4","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0349","0.0282","","","0.0636","0.067","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209144","13.7721","0.0006","14.5307","0.0007","16.5618","0.0008","104.374","0.001","110.692","0.001","103.503","0.001","2808.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H61 Cu7 I7 N3 O S3 -","- C37 H61 Cu7 I7 N3 O S3 -","- C74 H122 Cu14 I14 N6 O2 S6 -","2","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0651","0.0329","","","0.0745","0.102","","","","","","1.065","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209145","17.182","0.003","17.97","0.004","22.695","0.004","90","","90","","90","","7007","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H46 Cl3 Dy N2 O8 -","- C26 H46 Cl3 Dy N2 O8 -","- C208 H368 Cl24 Dy8 N16 O64 -","8","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0693","0.0342","","","0.0677","0.0783","","","","","","1.003","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209146","12.389","0.003","22.59","0.004","22.464","0.007","90","","119.74","0.02","90","","5459","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 Dy2 N6 O7 -","- C61 H64 Dy2 N6 O7 -","- C244 H256 Dy8 N24 O28 -","4","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0503","0.0391","","","0.0785","0.0816","","","","","","1.127","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209147","13","0.006","16.363","0.007","3.7037","0.0016","90","","90","","90","","787.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C20 H24 Cd2 Cl4 N12 O10 -","2","0.5","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.032","0.0306","","","0.0727","0.0749","","","","","","1.193","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209148","29.012","0.004","10.4455","0.0012","7.1789","0.0008","90","","92.189","0.004","90","","2173.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 Cd Cl3 N3 O2 -","- C5 H6 Cd Cl3 N3 O2 -","- C40 H48 Cd8 Cl24 N24 O16 -","8","1","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.0226","0.0207","","","0.0532","0.0543","","","","","","1.054","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209149","14.591","0.017","8.75","0.007","30.538","0.007","90","","90","","90","","3899","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 O2 Pd S -","- C14 H22 Cl2 N4 O2 Pd S -","- C112 H176 Cl16 N32 O16 Pd8 S8 -","8","2","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0548","0.0285","","","0.062","0.0697","","","","","","1.051","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209150","8.186","0.005","9.317","0.004","13.956","0.006","72.55","0.03","83.78","0.04","72.72","0.04","969.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","1","0.5","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0605","0.0537","","","0.1519","0.1571","","","","","","1.099","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209151","12.5309","0.0006","12.9417","0.0006","18.394","0.0009","94.407","0.001","93.591","0.001","95.061","0.001","2955.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H40 Cd2 N4 O12 S2 -","- C61 H40 Cd2 N4 O12 S2 -","- C122 H80 Cd4 N8 O24 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0421","0.0356","","","0.1248","0.1365","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209152","18.4538","0.0013","25.3442","0.0017","37.783","0.003","90","","90","","90","","17671","2","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C97 H77 Cd2 N9 O16 S2 -","- C97 H77 Cd2 N9 O16 S2 -","- C776 H616 Cd16 N72 O128 S16 -","8","2","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0861","0.0634","","","0.1291","0.1347","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209153","15.923","0.004","18.233","0.004","19.264","0.007","98.129","0.005","106.949","0.005","115.195","0.004","4608","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H71 Cd2 N9 O13 S2 -","- C97 H71 Cd2 N9 O13 S2 -","- C194 H142 Cd4 N18 O26 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0703","0.052","","","0.1502","0.1583","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209154","11.0361","0.0011","7.7101","0.0007","17.9654","0.0018","90","","105.75","0.002","90","","1471.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","propylammonium deoxycholate acetone clathrate","propylammonium deoxycholate acetone clathrate","","- C30 H55 N O5 -","- C30 H55 N O5 -","- C60 H110 N2 O10 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0554","0.0408","","","0.095","0.1023","","","","","","1.022","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209155","7.7287","0.0006","11.521","0.0009","16.5589","0.0013","81.143","0.002","79.051","0.002","89.485","0.002","1430.03","0.19","173","2","173","2","","","","","","","","4","P 1","P 1","1","di-(propylammonium deoxycholate) hydrate","di-(propylammonium deoxycholate) hydrate","","- C54 H106.26 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","1","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0543","0.0442","","","0.107","0.1134","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209156","14.043","0.003","7.8258","0.0016","14.055","0.003","90","","100.94","0.03","90","","1516.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","di-n-butylammonium deoxycholate","di-n-butylammonium deoxycholate","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0633","0.0413","","","0.0941","0.1028","","","","","","1.03","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209157","23.511","0.004","7.6318","0.0012","18.196","0.003","90","","123.03","0.02","90","","2737.3","1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-2-butylammonium deoxycholate","(R)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C112 H204 N4 O16 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0663","0.0462","","","0.1115","0.1222","","","","","","1.05","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209158","10.1547","0.0011","7.5678","0.0008","17.645","0.002","90","","90.915","0.003","90","","1355.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-butylammonium deoxycholate","(S)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C56 H102 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0492","0.0403","","","0.0986","0.1046","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209159","11.501","0.002","7.7042","0.0015","17.175","0.003","90","","106.19","0.03","90","","1461.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-3-methyl-2-butylammonium deoxycholate","(R)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0869","0.0494","","","0.1192","0.138","","","","","","1.006","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209160","11.026","0.002","7.5245","0.0015","17.6","0.004","90","","105.26","0.03","90","","1408.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-3-methyl-2-butylammonium deoxycholate","(S)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0938","0.0425","","","0.0869","0.0989","","","","","","0.964","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209161","18.9143","0.0007","21.0884","0.0009","5.2773","0.0002","90","","90","","90","","2104.97","0.14","100","2","100","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 O9 S3 -","- C15 H24 O9 S3 -","- C60 H96 O36 S12 -","4","0.5","","Davey, Roger J.; Brychczynska, Monika; Sadiq, Ghazala; Dent, Geoffrey; Pritchard, Robin G.","Crystallising trimesic acid from DMSO solutions ‒ can crystallography teach us anything about the process of crystal nucleation?","CrystEngComm","2013","15","5","856","","10.1039/c2ce26712h","","x-ray","0.71073","MoKα","","0.1439","0.088","","","0.176","0.2067","","","","","","1.021","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209162","16.95","0.003","13.32","0.003","13.85","0.003","90","","90","","90","","3127","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H20 N10 O4 S2 Zn -","- C24 H20 N10 O4 S2 Zn -","- C96 H80 N40 O16 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0631","0.0598","","","0.2037","0.2162","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209163","17.125","0.003","13.543","0.003","13.762","0.003","90","","90","","90","","3191.7","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H20 F6 N8 S2 Zn -","- C26 H20 F6 N8 S2 Zn -","- C104 H80 F24 N32 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0869","0.0709","","","0.2327","0.2734","","","","","","1.339","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209164","9.928","0.002","11.123","0.002","12.86","0.003","74.09","0.03","89.89","0.03","65.9","0.03","1236.8","0.6","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 F N4 S -","- C12 H11 F N4 S -","- C48 H44 F4 N16 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0459","0.0426","","","0.0917","0.0937","","","","","","1.139","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209165","8.7107","0.0008","16.0126","0.0015","20.772","0.002","90","","90","","90","","2897.3","0.5","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C112 H128 N32 S8 -","8","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0433","0.0373","","","0.0948","0.0992","","","","","","1.028","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209166","8.628","0.0017","14.716","0.003","9.834","0.002","90","","111.82","0.03","90","","1159.2","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N5 S -","- C11 H11 N5 S -","- C44 H44 N20 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.024","0.0238","","","0.0595","0.0596","","","","","","1.07","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209167","7.0476","0.0014","9.2828","0.0019","10.069","0.002","90","","105.45","0.03","90","","634.9","0.2","106","2","106","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C24 H22 N10 O4 S2 -","2","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209168","12.38","0.003","16.488","0.003","21.246","0.004","90","","90","","90","","4336.8","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd4 N16 O12 -","- C32 H24 Cd4 N16 O12 -","- C128 H96 Cd16 N64 O48 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0849","0.0682","","","0.1939","0.2049","","","","","","1.077","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209169","10.984","0.01","17.667","0.016","26.08","0.02","90","","90","","90","","5061","8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cd N8 O2 -","- C28 H20 Cd N8 O2 -","- C224 H160 Cd8 N64 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0466","0.0307","","","0.0655","0.0732","","","","","","1.031","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209170","25.919","0.004","9.9766","0.0016","17.701","0.003","90","","128.489","0.002","90","","3582.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N6 O2 -","- C20 H12 Cd N6 O2 -","- C160 H96 Cd8 N48 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0402","0.0289","","","0.0635","0.0685","","","","","","1.067","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209171","13.6219","0.0013","16.5119","0.0016","13.4293","0.0013","90","","93.153","0.001","90","","3016","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cd3 N10 O9 -","- C28 H18 Cd3 N10 O9 -","- C112 H72 Cd12 N40 O36 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0303","0.0272","","","0.0602","0.0612","","","","","","1.194","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209172","18.22","0.003","13.269","0.002","6.8783","0.0011","90","","90","","90","","1662.9","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Cd N8 O4 -","- C16 H10 Cd N8 O4 -","- C64 H40 Cd4 N32 O16 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0347","0.0278","","","0.057","0.0603","","","","","","1.02","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209173","10.735","0.002","12.852","0.003","14.491","0.003","84.6","0.03","74.08","0.03","65.93","0.03","1755.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1321","0.0741","","","0.1354","0.1529","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209174","12.271","0.003","13.775","0.003","14.061","0.003","89.21","0.02","65.01","0.03","71.28","0.03","2019.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1581","0.0847","","","0.1569","0.1797","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209175","8.3499","0.0002","12.4558","0.0003","13.7987","0.0004","90","","90","","90","","1435.13","0.06","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C15 H12 Co O6.5 -","- C15 H11 Co O6.5 -","- C60 H44 Co4 O26 -","4","0.5","","Sun, Hao-Ling; Jiang, Rui; Li, Zongsheng; Dong, Yong Qiang; Du, Miao","Novel (4,8)-connected scu coordination framework constructed by tetrakis(4-benzoic acid)ethylene","CrystEngComm","2013","15","9","1669","","10.1039/c2ce26761f","","","0.71073","MoKα","","0.0433","0.0364","","","0.1022","0.1061","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209176","35.272","0.01","35.272","0.01","5.282","0.001","90","","90","","120","","5691","3","290","2","290","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C45 H38 N6 O4 -","- C45 H37.98 N6 O4 -","- C270 H227.88 N36 O24 -","6","0.333333","","Prohens, Rafel; Font-Bardia, Mercè; Barbas, Rafael","Water wires in the nanoporous form II of carbamazepine: a single-crystal X-ray diffraction analysis","CrystEngComm","2013","15","5","845","","10.1039/c2ce26787j","","","0.71073","MoKα","","0.1145","0.0762","","","0.1766","0.1954","","","","","","1.21","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209177","9.8116","0.0009","9.9911","0.0009","15.5601","0.0014","81.117","0.001","84.035","0.001","70.191","0.001","1415.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Seth, Saikat Kumar; Das, Amrita; Meredith, Joanne; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata","Salt-bridge‒π (sb‒π) interactions at work: associative interactions of sb‒π, π‒π and anion‒π in Cu(ii)-malonate‒2-aminopyridine‒hexafluoridophosphate ternary system","CrystEngComm","2013","15","4","686","","10.1039/c2ce26790j","","","0.71073","MoKα","","0.0428","0.0311","","","0.0858","0.0974","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209178","12.6675","0.0004","12.9716","0.0004","13.7656","0.0005","107.358","0.001","114.619","0.001","103.137","0.001","1794.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - n-butyl acetate solvate (2:1:1)","","- C30 H36 Cl4 N10 O6 -","- C30 H36 Cl4 N10 O6 -","- C60 H72 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.1445","0.0821","","","0.2564","0.2942","","","","","","1.043","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209179","12.6839","0.0002","13.1519","0.0002","13.6466","0.0002","107.084","0.001","114.367","0.001","101.984","0.001","1835.4","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - tetrahydofuran solvate (2:1:2)","","- C32 H40 Cl4 N10 O6 -","- C32 H40 Cl4 N10 O6 -","- C64 H80 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.7107","MoKα","","0.0989","0.0719","","","0.1678","0.1805","","","","","","1.097","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209180","12.5864","0.0003","13.5421","0.0003","13.9251","0.0004","104.191","0.002","114.809","0.002","105.476","0.002","1895.43","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - n-butyl acetate solvate (2:1:1)","","- C31 H38 Cl4 N10 O6 -","- C31 H38 Cl4 N10 O6 -","- C62 H76 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0817","0.069","","","0.1795","0.1901","","","","","","1.038","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209181","12.983","0.0003","13.6706","0.0003","13.8425","0.0004","102.681","0.001","115.756","0.001","106.841","0.002","1940.4","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - tetrahydrofuran solvate (2:1:2)","","- C33 H42 Cl4 N10 O6 -","- C33 H42 Cl4 N10 O6 -","- C66 H84 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0951","0.0778","","","0.2039","0.2172","","","","","","1.052","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209182","10.5156","0.0003","9.1793","0.0003","12.2202","0.0004","90","","98.381","0.001","90","","1166.97","0.06","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H5 F4 N3 -","- C14 H5 F4 N3 -","- C56 H20 F16 N12 -","4","1","","Lane, Joseph R.; Saunders, Graham C.; Webb, Samantha J.","Engineering of a polar crystal structure exclusively by π‒π stacking between aryl and polyfluoroaryl groups","CrystEngComm","2013","15","7","1293","","10.1039/c2ce26796a","","","0.71073","MoKα","","0.0251","0.025","","","0.0708","0.0709","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209183","18.167","0.005","16.43","0.004","19.731","0.005","90","","93.477","0.003","90","","5879","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C-hexyltetracyanoresorcin(4)arene","","","- C59 H82 N4 O12 -","- C58.992 H82 N4 O12 -","- C235.968 H328 N16 O48 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","","0.71073","MoKα","","0.0754","0.0572","","","0.1582","0.1734","","","","","","1.037","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209184","15.6936","0.0018","15.9984","0.0019","26.489","0.003","90","","90","","90","","6650.7","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C-hexyltetracyanoresorcin(4)arene silver complex","","","- C59.6 H83 Ag N4 O11.9 -","- C59.6 H68 Ag N4 O11.9 -","- C238.4 H272 Ag4 N16 O47.6 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","x-ray","0.71073","MoKα","","0.1634","0.1058","","","0.2857","0.3363","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209185","13.1028","0.0011","13.5056","0.0011","23.797","0.002","92.405","0.002","91.395","0.001","105.902","0.001","4043.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C52 H92 Cu6 N64 O86 P2 S16 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0305","0.0264","","","0.0662","0.0681","","","","","","1.045","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209186","13.095","0.003","13.375","0.003","23.823","0.005","92.183","0.004","90.456","0.003","105.986","0.003","4007.5","1.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 N32 O43 S8 Si W12 -","- C26 H42 Cu4 N32 O43 S8 Si W12 -","- C52 H84 Cu8 N64 O86 S16 Si2 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0418","0.0314","","","0.0934","0.1001","","","","","","0.952","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209187","13.063","0.003","13.512","0.004","23.709","0.006","92.366","0.006","91.564","0.005","105.99","0.005","4016.2","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C52 H92 Cu6 Mo24 N64 O86 P2 S16 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0313","0.0239","","","0.0595","0.0634","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209188","13.0057","0.0007","13.3497","0.0008","23.6446","0.0013","91.917","0.001","91.017","0.001","106.702","0.001","3928.2","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 Mo12 N32 O43 S8 Si -","- C26 H42 Cu4 Mo12 N32 O43 S8 Si -","- C52 H84 Cu8 Mo24 N64 O86 S16 Si2 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0599","0.0569","","","0.1252","0.1267","","","","","","1.06","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209189","8.5321","0.0004","20.7094","0.001","25.769","0.001","90","","90","","90","","4553.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Ag F6 N4 P -","- C8 H12 Ag F6 N4 P -","- C96 H144 Ag12 F72 N48 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.1507","0.0378","","","0.0565","0.0706","","","","","","0.762","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209190","24.244","0.001","8.5678","0.0005","20.654","0.001","90","","90","","90","","4290.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag Cl N4 O4 -","- C8 H12 Ag Cl N4 O4 -","- C96 H144 Ag12 Cl12 N48 O48 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.0432","0.0325","","","0.0656","0.0685","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209191","8.5713","0.0001","21.9018","0.0003","27.8052","0.0005","90","","90","","90","","5219.78","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.053","0.0366","","","0.0771","0.0841","","","","","","1.027","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209192","41.11","0.005","41.11","0.005","31.944","0.008","90","","90","","120","","46754","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C300 H327 Cu12 N9 O96 -","- C264 H216 Cu12 O84 -","- C792 H648 Cu36 O252 -","3","0.166667","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","An ideal metal‒organic rhombic dodecahedron for highly efficient adsorption of dyes in an aqueous solution","CrystEngComm","2013","15","5","848","","10.1039/c2ce26836a","","","0.71073","MoKα","","0.3052","0.0692","","","0.0882","0.0944","","","","","","1.023","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209193","13.596","0.002","14.05","0.002","19.495","0.003","90","","125.036","0.008","90","","3049.2","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C120 H88 N24 O40 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.047","0.0372","","","0.09","0.0937","","","","","","1.075","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209194","18.365","0.003","10.5691","0.0018","17.065","0.003","90","","106.028","0.007","90","","3183.6","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N3 O6.5 Zn -","- C15 H13 N3 O6.5 Zn -","- C120 H104 N24 O52 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0334","0.0283","","","0.08","0.0825","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209195","7.8778","0.0015","23.005","0.004","8.2756","0.0015","90","","107.346","0.002","90","","1431.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C60 H44 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0668","0.0443","","","0.0887","0.0954","","","","","","1.062","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209196","9.664","0.002","9.582","0.002","16.414","0.004","90","","104.43","0.003","90","","1472","0.6","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.11","0.1057","","","0.2217","0.2234","","","","","","1.309","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209197","11.4026","0.0015","7.6683","0.001","17.686","0.002","90","","96.38","0.002","90","","1536.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn3(maleate)2(OH)2(4-pina)2","","- C30 H24 N6 O12 Zn3 -","- C30 H24 N6 O12 Zn3 -","- C60 H48 N12 O24 Zn6 -","2","0.5","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0292","0.0242","","","0.0606","0.0632","","","","","","1.063","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209198","7.3106","0.0007","18.8655","0.0017","10.8996","0.001","90","","106.099","0.001","90","","1444.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0303","0.0244","","","0.0591","0.0621","","","","","","1.034","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209201","14.385","0.004","11.708","0.004","10.799","0.003","90","","98.286","0.006","90","","1799.8","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-di-O-benzoyl-myo-inositol","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Sureshan, Kana M.; Gonnade, Rajesh G.","Weak becomes strong: remarkable strength of C‒H⋯π hydrogen bond in the presence of O‒H⋯O hydrogen bonds in the crystal stabilization","CrystEngComm","2013","15","9","1676","","10.1039/c3ce26894b","","","0.71073","MoKα","","0.056","0.0376","","","0.0883","0.0967","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209202","4.918","0.0006","20.285","0.008","10.1651","0.0013","85.65","0.02","113.352","0.009","88.33","0.02","926.4","0.4","293","2","293","2","","","100000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1904","0.1095","","","0.272","0.3429","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209203","4.8468","0.0006","20.177","0.004","10.0209","0.0012","85.32","0.02","113.602","0.009","88.18","0.019","892.8","0.2","293","2","293","2","","","700000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1676","0.1011","","","0.2755","0.3404","","","","","","1.091","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209204","19.704","0.0009","38.121","0.0018","23.7705","0.001","90","","110.449","0.002","90","","16729.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB6formI","","","- C90 H92 Cl3 N60 O58 -","- C90 H92 Cl3 N60 O58 -","- C360 H368 Cl12 N240 O232 -","4","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1192","0.104","","","0.2971","0.3076","","","","","","1.174","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209205","22.1502","0.0004","22.1502","0.0004","47.2588","0.0013","90","","90","","120","","20080.2","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","CB6","","","- C180 H262 Cl3 N120 O101 -","- C180 H180 Cl3 N120 O101 -","- C540 H540 Cl9 N360 O303 -","3","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1873","0.1681","","","0.4077","0.4182","","","","","","2.682","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209206","18.8281","0.000026","7.19429","0.000018","5.73035","0.000014","90","","95.9613","0.0001","90","","772.006","0.003","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","","- C14 H21 N O7 -","- C14 H21 N O7 -","- C28 H42 N2 O14 -","2","1","","Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.","Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate","CrystEngComm","2013","15","10","1853","","10.1039/c2ce26097b","powder diffraction","","0.826146","synchrotron","","","","","","","","","","1.874","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209207","11.902","0.005","8.377","0.004","19.291","0.009","90","","98.545","0.009","90","","1902","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cu3 N12 O10 -","- C38 H34 Cu3 N12 O10 -","- C76 H68 Cu6 N24 O20 -","2","0.5","","Zhu, Qilong; Tian, Chongbin; Shen, Chaojun; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","A three-dimensional coordination polymer based on linear trinuclear copper(ii) clusters featuring a ferromagnetic exchange interaction","CrystEngComm","2013","15","11","2120","","10.1039/c2ce26461g","","","0.71073","MoKα","","0.0797","0.0596","","","0.1637","0.1812","","","","","","1.071","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209208","11.4037","0.0003","8.1964","0.0002","25.3329","0.0007","90","","92.066","0.002","90","","2366.31","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate","","- C19 H27 K N2 O12 -","- C19 H27 K N2 O12 -","- C76 H108 K4 N8 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0666","0.0391","","","0.0913","0.1052","","","","","","1.052","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209209","9.2865","0.0003","13.1382","0.0004","14.0544","0.0004","71.495","0.001","79.23","0.001","86.232","0.001","1597.41","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate 3,5-dinitrobenzoic acid","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C26 H31 K N4 O18 -","- C26 H31 K N4 O18 -","- C52 H62 K2 N8 O36 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0425","0.0349","","","0.0975","0.1079","","","","","","0.829","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209210","19.7525","0.0003","10.7903","0.0002","8.2793","0.0001","90","","99.556","0.001","90","","1740.13","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoic acid","","- C16 H14 K N3 O8 -","- C16 H14 K N3 O8 -","- C64 H56 K4 N12 O32 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0625","0.04","","","0.1072","0.1195","","","","","","1.035","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209211","6.784","0.0007","7.6611","0.0008","18.6422","0.0018","81.212","0.005","87.658","0.004","86.753","0.005","955.47","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Sodium 3,5-dinitrobenzoate 4-(N, N'-dimethylamino)benzoic acid dihydrate","","- C16 H18 N3 Na O10 -","- C16 H18 N3 Na O10 -","- C32 H36 N6 Na2 O20 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0772","0.0638","","","0.1938","0.2005","","","","","","1.295","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209212","6.1722","0.0004","8.4443","0.0006","18.7848","0.0012","83.049","0.004","82.207","0.004","86.054","0.004","961.52","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","","- C16 H21 N5 O8 -","- C16 H21 N5 O8 -","- C32 H42 N10 O16 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1685","0.0599","","","0.1431","0.1721","","","","","","0.863","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209213","11.4622","0.0003","8.2534","0.0002","25.9532","0.0006","90","","90.485","0.002","90","","2455.14","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5-dinitrobenzoate","","- C19 H31 N3 O12 -","- C19 H31 N3 O12 -","- C76 H124 N12 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1171","0.0524","","","0.1509","0.1799","","","","","","1.033","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209214","25.1719","0.0005","25.1719","0.0005","10.8188","0.0003","90","","90","","120","","5936.7","0.2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H32 Cl2 Cu N4 O4 -","- C24 H32 Cl2 Cu N4 O4 -","- C216 H288 Cl18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0697","0.0406","","","0.0647","0.0686","","","","","","1.089","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209215","25.4049","0.0003","25.4049","0.0003","10.6802","0.0002","90","","90","","120","","5969.6","0.15","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C23 H30 Br2 Cu N4 O4 -","- C23 H30 Br2 Cu N4 O4 -","- C207 H270 Br18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0688","0.059","","","0.134","0.1371","","","","","","1.026","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209216","5.8194","0.0002","22.0856","0.0007","16.198","0.0006","90","","90.285","0.003","90","","2081.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of pimelic acid","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1065","0.047","","","0.078","0.085","","","","","","1.116","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209217","8.4176","0.0012","14.7394","0.0014","19.1141","0.0019","90","","100.12","0.012","90","","2334.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of glutaric acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","2","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1191","0.0625","","","0.0929","0.1041","","","","","","1.134","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209218","10.2636","0.0004","19.9663","0.0007","12.0807","0.0005","90","","99.979","0.003","90","","2438.2","0.16","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B2 Cu F8 N7 O4 -","- C17 H19 B2 Cu F8 N7 O4 -","- C68 H76 B8 Cu4 F32 N28 O16 -","4","1","","Ramírez de Arellano, Carmen; Escrivà, Emilio; Gómez-García, Carlos J.; Mínguez Espallargas, Guillermo; Ballesteros, Rafael; Abarca, Belén","Hydrogen bonding versus π-stacking in ferromagnetic interactions. Studies on a copper triazolopyridine complex","CrystEngComm","2013","15","10","1836","","10.1039/c2ce26654g","","","0.71073","MoKα","","0.0493","0.0419","","","0.1121","0.1179","","","","","","1.048","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209219","11.4102","0.0009","7.9586","0.0006","14.2631","0.0011","90","","95.548","0.001","90","","1289.15","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H29 N6 Ni O13 P2 -","- C16 H15 N6 Ni O13 P2 -","- C32 H30 N12 Ni2 O26 P4 -","2","0.5","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0834","0.0792","","","0.2016","0.2042","","","","","","1.015","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209220","20.319","0.003","20.319","0.003","14.754","0.002","90","","90","","120","","5275.3","1.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 N18 Ni3 O33 P6 -","- C48 H66 N18 Ni3 O33 P6 -","- C144 H198 N54 Ni9 O99 P18 -","3","0.166667","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0556","0.0397","","","0.0968","0.1078","","","","","","1.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209221","7.5069","0.0005","12.8076","0.001","22.2479","0.0017","93.887","0.004","94.965","0.004","92.39","0.004","2123.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Cu2 N2 O24 P6 -","- C30 H48 Cu2 N2 O24 P6 -","- C60 H96 Cu4 N4 O48 P12 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.1371","0.0745","","","0.174","0.2146","","","","","","0.996","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209222","8.0321","0.0015","10.14","0.0019","12.985","0.002","67.54","0.002","85.067","0.002","74.216","0.002","940.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Ni1.5 O12 P3 -","- C12 H24 Ni1.5 O12 P3 -","- C24 H48 Ni3 O24 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0469","0.0377","","","0.0922","0.0977","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209223","9.981","0.004","10.454","0.004","13.701","0.006","86.396","0.004","71.039","0.004","82.803","0.004","1341","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 N2 Ni O11 P3 -","- C24 H31 N2 Ni O11 P3 -","- C48 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0387","0.0313","","","0.0759","0.0796","","","","","","1.03","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209224","9.9667","0.0006","10.4207","0.0006","13.3783","0.0008","94.054","0.001","106.84","0.001","93.649","0.001","1321.4","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 N2 Ni O11 P3 -","- C22 H31 N2 Ni O11 P3 -","- C44 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0545","0.0427","","","0.0955","0.1023","","","","","","1.05","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209225","9.7878","0.0016","10.201","0.0016","14.443","0.003","76.79","0.002","81.902","0.002","66.993","0.001","1290.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cu N2 O9 P3 -","- C22 H27 Cu N2 O9 P3 -","- C44 H54 Cu2 N4 O18 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0616","0.0429","","","0.1051","0.1143","","","","","","1.023","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209226","10.1684","0.0007","15.3969","0.0011","16.7062","0.0012","90","","92.608","0.001","90","","2612.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cu N2 O10 P3 -","- C24 H27 Cu N2 O10 P3 -","- C96 H108 Cu4 N8 O40 P12 -","4","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0368","0.0305","","","0.0789","0.083","","","","","","1.027","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209227","8.7633","0.0006","10.559","0.0007","14.8583","0.001","79.707","0.001","86.776","0.001","67.111","0.001","1246.09","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 Cu N2 O11 P3 -","- C22 H28 Cu N2 O10.134 P3 -","- C44 H56 Cu2 N4 O20.268 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0513","0.0411","","","0.1033","0.1092","","","","","","1.007","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209228","8.327","0.0004","9.9585","0.0005","13.2645","0.0007","68.034","0.001","82.339","0.001","72.169","0.001","970.88","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24.2 Mn1.5 O12.1 P3 -","- C12 H24.2 Mn1.5 O12.1 P3 -","- C24 H48.4 Mn3 O24.2 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0385","0.035","","","0.0892","0.0919","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209229","8.8798","0.0006","9.2592","0.0006","15.0913","0.001","104.757","0.001","99.526","0.001","90.516","0.001","1181.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N5 O7 Zn -","- C25 H19 N5 O7 Zn -","- C50 H38 N10 O14 Zn2 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0407","0.0333","","","0.0906","0.0937","","","","","","1.028","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209230","9.064","0.003","9.558","0.003","13.644","0.004","95.546","0.004","91.307","0.005","90.209","0.005","1176.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cd N5 O7 -","- C25 H19 Cd N5 O7 -","- C50 H38 Cd2 N10 O14 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0312","0.0271","","","0.0659","0.0678","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209231","11.9526","0.0009","12.6037","0.0009","16.381","0.0012","90","","102.082","0.001","90","","2413.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N5 O6 Zn -","- C25 H17 N5 O6 Zn -","- C100 H68 N20 O24 Zn4 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0741","0.0462","","","0.1256","0.1424","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209232","11.1167","0.0006","14.3657","0.0007","15.1482","0.0008","90","","93.261","0.001","90","","2415.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cd N5 O6 -","- C25 H17 Cd N5 O6 -","- C100 H68 Cd4 N20 O24 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0339","0.026","","","0.065","0.0691","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209233","10.4005","0.0002","10.6486","0.0002","13.6321","0.0003","105.307","0.0007","93.835","0.0008","108.935","0.0012","1358.02","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H13.5 Er O12 -","- C7.5 H1.5 Er O12 -","- C30 H6 Er4 O48 -","4","2","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71069","MoKα","","0.0577","0.0454","","","0.1184","0.1278","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209234","11.2874","0.0004","17.5352","0.0003","11.8917","0.0004","90","","106.723","0.001","90","","2254.14","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H40 O41 Tm4 -","- C30 H5 O41 Tm4 -","- C60 H10 O82 Tm8 -","2","0.5","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0847","0.0912","","","","","","1.081","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209235","10.285","0.0002","11.5717","0.0003","13.5114","0.0004","85.581","0.001","69.209","0.001","63.755","0.001","1342.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 O25 Tm2 -","- C15 H3 O25 Tm2 -","- C30 H6 O50 Tm4 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71073","MoKα","","0.0587","0.0465","","","0.1371","0.1447","","","","","","1.461","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209236","9.5338","0.0001","11.7159","0.0002","14.7503","0.0003","106.505","0.001","97.684","0.001","101.981","0.001","1512.3","0.05","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H16.5 Gd2.5 O22 -","- C20 H4 Gd2.5 O22 -","- C40 H8 Gd5 O44 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0522","0.0448","","","0.1347","0.1399","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209237","10.4135","0.0002","10.5541","0.0002","14.0372","0.0004","99.595","0.001","99.62","0.001","108.843","0.001","1398.72","0.06","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H26 Er2 O23.5 -","- C15 H3 Er2 O23.5 -","- C30 H6 Er4 O47 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0481","0.0373","","","0.0939","0.1002","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209238","10.2435","0.0001","11.4789","0.0001","14.015","0.0002","84.763","0.001","78.631","0.001","63.819","0.001","1449.83","0.03","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H31 Gd2 O26 -","- C15 H3 Gd2 O26 -","- C30 H6 Gd4 O52 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0487","0.0338","","","0.0791","0.0856","","","","","","1.024","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209239","9.537","0.005","14.761","0.005","23.057","0.005","107.218","0.005","96.735","0.005","97.691","0.005","3030","2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H56 Gd5 K O56 -","- C40 H8 Gd5 K O56 -","- C80 H16 Gd10 K2 O112 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0825","0.0567","","","0.1625","0.1792","","","","","","1.054","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209240","10.7033","0.0016","11.88","0.004","12.457","0.006","115.528","0.006","106.801","0.005","91.358","0.004","1348","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1829","0.058","","","0.0921","0.1075","","","","","","0.826","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209241","20.494","0.0007","13.4394","0.0005","23.0775","0.0007","90","","93.709","0.003","90","","6342.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cd2 N18 O14 -","- C52 H55 Cd2 N18 O14 -","- C208 H220 Cd8 N72 O56 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0878","0.0529","","","0.1675","0.1752","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209242","18.577","0.007","11.671","0.003","18.655","0.005","90","","118.998","0.004","90","","3537.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N9 O9 Zn2 -","- C34 H31 N9 O9 Zn2 -","- C136 H124 N36 O36 Zn8 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.1787","0.0689","","","0.1407","0.1873","","","","","","0.975","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209243","10.3392","0.0014","16.2364","0.0012","22.526","0.002","90","","102.756","0.004","90","","3688.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cd2 N9 O10 -","- C34 H30 Cd2 N9 O10 -","- C136 H120 Cd8 N36 O40 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0914","0.0345","","","0.0464","0.0497","","","","","","0.791","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209244","13.3713","0.0014","14.7967","0.0017","16.661","0.002","103.393","0.008","102.889","0.007","105.532","0.002","2943.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N18 O13 Zn3 -","- C60 H56 N18 O13 Zn3 -","- C120 H112 N36 O26 Zn6 -","2","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1316","0.066","","","0.1516","0.1854","","","","","","1.003","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209245","9.6371","0.0011","11.5022","0.0014","13.0554","0.0018","72.255","0.012","84.177","0.01","67.195","0.011","1270.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.0986","0.0676","","","0.177","0.2003","","","","","","1.011","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209246","11.896","0.002","11.896","0.003","34.2854","0.0017","90","","90","","90","","4851.9","1.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H46 Cd2 N18 O9 -","- C46 H44 Cd2 N18 O9 -","- C184 H176 Cd8 N72 O36 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0499","0.0331","","","0.0758","0.078","","","","","","0.952","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209247","6.741","0.001","6.743","0.001","8.58","0.002","90","","90","","90","","390","0.12","8","2","8","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylurea","N-methylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.5166","synchrotron","","0.027","0.027","","","","0.058","0.051","","","","","1.485","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209248","4.634","0.001","5.292","0.001","13.943","0.003","90","","95.57","0.03","90","","340.31","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-phenylurea","N-phenylurea","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C14 H16 N4 O2 -","2","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.04","0.028","","","","","2.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209249","9.09","0.002","10.372","0.002","11.77","0.002","90","","90","","90","","1109.7","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diphenylurea","N,N'-diphenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.044","0.054","","","","","2.348","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209251","17.5123","0.0017","13.6834","0.0015","15.2911","0.0014","90","","90","","90","","3664.2","0.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0963","0.0645","","","0.2052","0.2272","","","","","","1.13","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209252","17.1691","0.0004","13.5523","0.0004","15.4503","0.0005","90","","90","","90","","3594.99","0.18","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 N2 Ni O5 -","- C18 H12 N2 Ni O5 -","- C144 H96 N16 Ni8 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0729","0.0586","","","0.2131","0.2263","","","","","","1.157","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209253","13.6268","0.0005","16.8885","0.0006","15.9853","0.0005","90","","93.269","0.002","90","","3672.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N4 O10 -","- C36 H26 Co2 N4 O10 -","- C144 H104 Co8 N16 O40 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0804","0.0539","","","0.1862","0.2073","","","","","","1.083","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209256","22.1775","0.0005","7.3566","0.0002","22.1781","0.0005","90","","94.089","0.001","90","","3609.17","0.15","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C48 H63 O64 Zn8 -","- C48 H16 O64 Zn8 -","- C96 H32 O128 Zn16 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0762","0.068","","","0.1953","0.2035","","","","","","1.04","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209257","24.429","0.004","33.425","0.005","20.004","0.003","90","","90","","90","","16334","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C96 H194 I6 K6 N60 O76 -","- C96 H103 I6 K6 N60 O34 -","- C384 H412 I24 K24 N240 O136 -","4","0.5","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1146","0.0672","","","0.1956","0.212","","","","","","1.088","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209258","25.899","0.002","19.5796","0.0017","34.39","0.003","90","","94.006","0.002","90","","17396","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C118 H236 I6 K6 N60 O83 -","- C118 H132 K6 N60 O36 -","- C472 H528 K24 N240 O144 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1988","0.1228","","","0.2823","0.3189","","","","","","0.965","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209259","20.565","0.004","27.168","0.005","35.246","0.007","90","","90.155","0.003","90","","19692","7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H268 Cl6 K6 N60 O92 -","- C126 H143 K6 N60 O34 -","- C504 H572 K24 N240 O136 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1799","0.0965","","","0.2481","0.2695","","","","","","1.06","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209260","23.8792","0.0008","34.9081","0.0013","20.2709","0.0008","90","","93.448","0.002","90","","16866.8","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 I2 K2 N20 O21 -","- C42 H47.3333 I K2 N20 O13.6667 -","- C504 H568 I12 K24 N240 O164 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1388","0.0934","","","0.2628","0.2946","","","","","","1.003","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209261","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H90 Cl2 K2 N20 O30 -","- C45 H49.3333 Cl2 K2 N20 O11.6667 -","- C540 H592 Cl24 K24 N240 O140 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1052","0.0651","","","0.1704","0.186","","","","","","0.995","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209262","11.297","0.002","9.665","0.0019","10.413","0.002","90","","114.59","0.03","90","","1033.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Ce O11 -","- C3 H10 Ce O11 -","- C12 H40 Ce4 O44 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0507","0.042","","","0.0774","0.0792","","","","","","1.051","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209263","9.6103","0.0019","11.531","0.002","12.2","0.002","90","","99.03","0.03","90","","1335.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Er O13 -","- C6 H15 Er O13 -","- C24 H60 Er4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0313","0.0264","","","0.0927","0.0985","","","","","","0.811","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209264","9.5915","0.0019","11.452","0.002","12.178","0.002","90","","98.96","0.03","90","","1321.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Yb -","- C6 H15 O13 Yb -","- C24 H60 O52 Yb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1334","0.1393","","","","","","1.109","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209265","20.423","0.003","20.423","0.003","16.226","0.003","90","","90","","90","","6767.8","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 N4 O13.25 Sm2 -","- C10 H12.5 N4 O13.25 Sm2 -","- C160 H200 N64 O212 Sm32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0405","0.0299","","","0.0622","0.0652","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209266","20.3131","0.0014","20.3131","0.0014","16.19","0.002","90","","90","","90","","6680.4","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Eu2 N4 O13.25 -","- C10 H12.5 Eu2 N4 O13.25 -","- C160 H200 Eu32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0439","0.0312","","","0.0722","0.077","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209267","20.299","0.003","20.299","0.003","16.157","0.003","90","","90","","90","","6657.5","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Gd2 N4 O13.25 -","- C10 H12.5 Gd2 N4 O13.25 -","- C160 H200 Gd32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0361","0.0292","","","0.0841","0.0868","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209268","20.227","0.004","20.227","0.004","16.047","0.007","90","","90","","90","","6565","3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H11.5 N4 O12.75 Tb2 -","- C10 H11.5 N4 O12.75 Tb2 -","- C160 H184 N64 O204 Tb32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.086","0.0462","","","0.0998","0.1171","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209269","20.213","0.0015","20.213","0.0015","16.001","0.002","90","","90","","90","","6537.5","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Dy2 N4 O13.25 -","- C10 H12.5 Dy2 N4 O13.25 -","- C160 H200 Dy32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0456","0.0304","","","0.0666","0.0723","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209270","11.241","0.002","9.6687","0.0019","10.338","0.002","90","","114.51","0.03","90","","1022.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 O12 Pr -","- C3 H12 O12 Pr -","- C12 H48 O48 Pr4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0281","0.0261","","","0.0671","0.0687","","","","","","1.032","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209271","9.7166","0.0019","11.926","0.002","12.38","0.003","90","","99.42","0.03","90","","1415.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Nd O13 -","- C6 H15 Nd O13 -","- C24 H60 Nd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.038","0.0306","","","0.0706","0.0759","","","","","","1.133","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209272","9.6885","0.0019","11.817","0.002","12.326","0.003","90","","99.26","0.03","90","","1392.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Sm -","- C6 H15 O13 Sm -","- C24 H60 O52 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0266","0.0227","","","0.0565","0.0581","","","","","","1.079","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209273","9.6661","0.0019","11.737","0.002","12.315","0.003","90","","99.24","0.03","90","","1379","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Eu O13 -","- C6 H15 Eu O13 -","- C24 H60 Eu4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0289","0.0245","","","0.0773","0.0796","","","","","","0.993","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209274","9.659","0.0019","11.718","0.002","12.281","0.003","90","","99.2","0.03","90","","1372.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Gd O13 -","- C6 H15 Gd O13 -","- C24 H60 Gd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0273","0.0236","","","0.0638","0.0656","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209275","9.6515","0.0019","11.655","0.002","12.264","0.003","90","","99.14","0.03","90","","1362","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Tb -","- C6 H15 O13 Tb -","- C24 H60 O52 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0409","0.0303","","","0.0663","0.0699","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209276","9.6315","0.0019","11.613","0.002","12.217","0.002","90","","99.13","0.03","90","","1349.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Dy O13 -","- C6 H15 Dy O13 -","- C24 H60 Dy4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.026","0.0233","","","0.0594","0.0608","","","","","","1.02","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209277","9.6205","0.0019","11.564","0.002","12.229","0.002","90","","99.04","0.03","90","","1343.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ho O13 -","- C6 H15 Ho O13 -","- C24 H60 Ho4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0356","0.0286","","","0.0669","0.0698","","","","","","1.044","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209278","14.726","0.003","5.9694","0.0013","18.782","0.004","90","","97.438","0.012","90","","1637.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C64 H64 F4 N12 O12 S8 -","4","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.1257","0.0565","","","0.125","0.1562","","","","","","0.983","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209279","6.4038","0.0004","10.2494","0.0006","13.1644","0.0009","77.41","0.005","86.768","0.005","82.386","0.005","835.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C32 H32 F2 N6 O6 S4 -","2","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.0634","0.0366","","","0.0763","0.0813","","","","","","0.931","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209280","12.6672","0.0006","12.6672","0.0006","25.4399","0.0018","90","","90","","90","","4082","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C96 H80 N64 O32 Zn16 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0501","0.0414","","","0.1153","0.1212","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209281","12.5845","0.0005","12.5845","0.0005","25.4464","0.0014","90","","90","","90","","4029.9","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 Co N4 O2 -","- C6 H5 Co N4 O2 -","- C96 H80 Co16 N64 O32 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0641","0.0579","","","0.1564","0.1602","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209282","12.668","0.0005","9.6186","0.0004","20.4254","0.0008","90","","95.966","0.004","90","","2475.32","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N9 O9 S Zn2 -","- C20 H18 N9 O9 S Zn2 -","- C80 H72 N36 O36 S4 Zn8 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71073","MoKα","","0.046","0.0366","","","0.0906","0.0983","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209283","8.91","0.0004","12.007","0.0005","12.526","0.0005","77.708","0.004","76.629","0.004","76.378","0.004","1249.15","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N9 O11 S Zn1.5 -","- C14 H13 N9 O11 S Zn1.5 -","- C28 H26 N18 O22 S2 Zn3 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0605","0.0475","","","0.1382","0.1495","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209284","16.308","0.0009","10.517","0.0005","22.986","0.0014","90","","104.444","0.006","90","","3817.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N18 O16 S3 Zn3 -","- C24 H24 N18 O16 S3 Zn3 -","- C96 H96 N72 O64 S12 Zn12 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.1019","0.0631","","","0.1375","0.1597","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209285","10.107","0.0005","11.073","0.0007","12.529","0.0008","69.771","0.006","78.299","0.004","81.557","0.004","1283.85","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N9 O7.5 Zn -","- C20 H18 N9 O7.5 Zn -","- C40 H36 N18 O15 Zn2 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0847","0.0583","","","0.1345","0.152","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209286","10.298","0.0004","11.117","0.0006","12.268","0.0004","67.475","0.004","73.32","0.004","68.923","0.004","1192.25","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cd N9 O7.5 -","- C20 H23 Cd N9 O7.5 -","- C40 H46 Cd2 N18 O15 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0237","0.0221","","","0.0561","0.0568","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209287","10.144","0.0008","10.797","0.0008","12.16","0.0008","68.36","0.06","72.963","0.006","70.147","0.007","1142.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N9 O7 -","- C20 H18 Co N9 O7 -","- C40 H36 Co2 N18 O14 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0804","0.0555","","","0.1185","0.1339","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209288","11.471","0.0008","11.833","0.001","12.272","0.001","80.712","0.007","68.015","0.007","77.768","0.006","1503.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cu2 N9 O10.5 -","- C28 H20 Cu2 N9 O10.5 -","- C56 H40 Cu4 N18 O21 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0946","0.062","","","0.1303","0.1511","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209289","20.479","0.007","20.479","0.007","20.479","0.007","90","","90","","90","","8589","5","296","2","296","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- B6 Cl2 H10 Na13 O47 P11 -","- B6 Cl2 Na13 O47 P11 -","- B48 Cl16 Na104 O376 P88 -","8","0.166667","","Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang","A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages","CrystEngComm","2013","15","11","2048","","10.1039/c3ce26918c","","","0.71073","MoKα","","0.0541","0.0504","","","0.1171","0.1187","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209290","7.577","0.003","6.894","0.002","8.927","0.004","90","","102.174","0.005","90","","455.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Imidazolium L-Tartrate","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C14 H20 N4 O12 -","2","1","","Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun","Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold","CrystEngComm","2013","15","11","2157","","10.1039/c3ce26942f","","","0.71073","MoKα","","0.0257","0.0246","","","0.0635","0.0641","","","","","","1.041","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209291","23.8931","0.0002","23.8931","0.0002","15.9482","0.0003","90","","90","","90","","9104.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H12 Be4 O12 -","- C16 H12 Be4 O12 -","- C256 H192 Be64 O192 -","16","1","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0699","0.0506","","","0.1374","0.1467","","","","","","1.047","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209292","10.3705","0.0004","11.2422","0.0006","18.403","0.0007","90","","90","","90","","2145.55","0.16","293","2","293","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C10 H6 Be4 O12 -","- C10 H6 Be4 O12 -","- C40 H24 Be16 O48 -","4","0.25","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0708","0.0563","","","0.1554","0.1649","","","","","","1.124","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209321","3.5617","0.0004","11.4103","0.0013","12.0524","0.0014","71.286","0.002","83.404","0.002","87.609","0.002","460.84","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 Cd N6 O2 -","- C7 H4 Cd N6 O2 -","- C14 H8 Cd2 N12 O4 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0218","0.0213","","","0.0544","0.0547","","","","","","1.148","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209322","3.6149","0.0002","11.4499","0.0007","12.1649","0.0008","70.789","0.001","82.385","0.001","86.674","0.001","471.22","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Cd N10 -","- C5 H4 Cd N10 -","- C10 H8 Cd2 N20 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0188","0.0178","","","0.0455","0.0461","","","","","","1.062","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209323","12.51","0.003","12.902","0.003","12.175","0.003","90","","116.431","0.003","90","","1759.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co2 N20 O2 S4 -","- C24 H20 Co2 N20 O2 S4 -","- C48 H40 Co4 N40 O4 S8 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0542","0.0387","","","0.0848","0.0911","","","","","","1.061","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209324","8.3799","0.0019","19.526","0.004","10.357","0.002","90","","90","","90","","1694.7","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H8 Cd N10 S2 -","- C12 H8 Cd N10 S2 -","- C48 H32 Cd4 N40 S8 -","4","","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.031","0.0238","","","0.0546","0.0579","","","","","","1.008","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209325","8.6882","0.0007","12.6477","0.001","9.0639","0.0007","90","","111.736","0.001","90","","925.18","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mn N10 O2 S2 -","- C12 H12 Mn N10 O2 S2 -","- C24 H24 Mn2 N20 O4 S4 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0316","0.0292","","","0.0776","0.0798","","","","","","1.076","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209326","11.918","0.005","11.34","0.005","12.434","0.005","90","0.005","115.472","0.005","90","0.005","1517.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N10 O2 Zn -","- C12 H8 N10 O2 Zn -","- C48 H32 N40 O8 Zn4 -","4","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71069","MoKα","","0.049","0.0386","","","0.0936","0.0993","","","","","","1.009","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209327","12.3178","0.0008","12.8907","0.0008","12.1015","0.0008","90","","115.818","0.001","90","","1729.73","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N20 Ni2 O2 S4 -","- C24 H20 N20 Ni2 O2 S4 -","- C48 H40 N40 Ni4 O4 S8 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0751","0.0462","","","0.0954","0.1058","","","","","","1.028","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209328","8.3561","0.0008","9.8609","0.0009","11.2066","0.001","86.6056","0.0014","71.833","0.0013","71.3906","0.0013","830.67","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N10 S2 Zn -","- C12 H8 N10 S2 Zn -","- C24 H16 N20 S4 Zn2 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0388","0.0335","","","0.0892","0.0922","","","","","","1.076","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209505","14.0437","0.0003","16.4599","0.0003","9.3843","0.0002","90","","99.7969","0.0008","90","","2137.62","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 I2 N2 -","- C17 H32 I2 N2 -","- C68 H128 I8 N8 -","4","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.046","0.0346","","0.0821","0.0694","0.0821","","","","","","1.0483","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209506","8.8992","0.0005","9.1246","0.0005","14.513","0.0008","108.091","0.005","93.709","0.004","106.155","0.004","1061.15","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H34 Cl I N2 O -","- C17 H34 Cl I N2 O -","- C34 H68 Cl2 I2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","1.5418","CuKα","","0.0436","0.0422","","0.1087","0.1067","0.1087","","","","","","1.0779","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209507","8.7542","0.0002","9.3695","0.0002","13.6378","0.0004","71.4823","0.001","74.1255","0.0011","73.9467","0.0011","997.94","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 Br N2 O -","- C17 H35 Br N2 O -","- C34 H70 Br2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0727","0.0427","","0.1213","0.0933","0.1213","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209508","18.4148","0.0002","8.7874","0.0001","27.3027","0.0004","90","","107.422","0.0005","90","","4215.4","0.09","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H34 Br2 N2 O -","- C17 H34 Br2 N2 O -","- C136 H272 Br16 N16 O8 -","8","2","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0786","0.0507","","0.1048","0.0948","0.1048","","","","","","1.0066","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209509","18.5049","0.0001","23.8735","0.0002","9.3156","0.0001","90","","90","","90","","4115.42","0.06","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","diimidazolatozinc(ii)","diimidazolatozinc(II)","","- C17 H17 N9 Zn2 -","- C17 H17 N9 Zn2 -","- C136 H136 N72 Zn16 -","8","0.5","","Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano","Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory","CrystEngComm","2013","15","20","4036","","10.1039/c2ce26045j","","","1.54184","CuKα","","0.0284","0.0283","","","0.0731","0.0732","","","","","","1.031","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209510","11.814","0.003","18.304","0.005","7.957","0.002","90","","90","","90","","1720.6","0.8","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(E)-3-(4-(benzyloxy)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0784","0.0515","","","0.1336","0.1591","","","","","","1.059","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209511","18.981","0.0006","7.5355","0.0003","24.6569","0.0007","90","","105.108","0.002","90","","3404.8","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(4-(benzyloxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0537","0.037","","","0.106","0.1209","","","","","","1.029","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209512","6.3071","0.001","8.0751","0.0014","8.5714","0.0011","104.521","0.013","94.539","0.01","102.964","0.011","407.57","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(2,5-dibromopyridine)dibromocopper(ii)","trans-Bis(2,5-dibromopyridine)dibromocopper(II)","","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","1","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0511","0.0412","","","0.11","0.1172","","","","","","1.026","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209513","8.3173","0.0013","12.847","0.002","14.61","0.003","90","","90.868","0.008","90","","1560.9","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trans-Bis(2,5-dibromopyridine)dichlorocopper(ii)","trans-Bis(2,5-dibromopyridine)dichlorocopper(II)","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0672","0.0516","","","0.1313","0.1429","","","","","","1.02","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209514","10.457","0.0001","19.097","0.0002","17.707","0.0002","90","","91.212","0.001","90","","3535.25","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C28 H28 Co1.5 N12 O10 W -","- C28 H28 Co1.5 N12 O10 W -","- C112 H112 Co6 N48 O40 W4 -","4","1","","Chorazy, Szymon; Podgajny, Robert; Majcher, Anna M.; Nitek, Wojciech; Rams, Michał; Suturina, Elizaveta A.; Ungur, Liviu; Chibotaru, Liviu F.; Sieklucka, Barbara","Magnetic anisotropy of CoII‒WV ferromagnet: single crystal and ab initio study","CrystEngComm","2013","15","13","2378","","10.1039/c2ce26387d","","","0.71073","MoKα","","0.0376","0.028","","","0.0718","0.0751","","","","69.706","69.706","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209515","5.3318","0.0005","9.5162","0.0009","12.7812","0.0013","90","","96.49","0.01","90","","644.34","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 Li O5 -","- C4 H7 Li O5 -","- C16 H28 Li4 O20 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0422","0.0316","","","0.0266","0.0321","","","","1.07","1.07","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209516","10.561","0.0008","9.4941","0.0007","13.2344","0.0008","90","","107.394","0.003","90","","1266.3","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Li2 O10 -","- C8 H14 Li2 O10 -","- C32 H56 Li8 O40 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0501","0.0327","","","0.0488","0.0538","","","","1.25","1.25","1.15","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209517","8.7716","0.0003","16.9903","0.0006","20.5716","0.0007","104.794","0.002","102.209","0.002","92.243","0.002","2883.05","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 O14 S12 Se12 -","- C38 H24 Cu2 O15 S12 Se12 -","- C76 H48 Cu4 O30 S24 Se24 -","2","1","","Zhang, Bin; Zhang, Yan; Wang, Zheming; Gao, Song; Guo, Yanjun; Liu, Fen; Zhu, Daoben","BETS3[Cu2(C2O4)3](CH3OH)2: an organic‒inorganic hybrid antiferromagnetic metal (BETS = bisethylene(tetraselenfulvalene))","CrystEngComm","2013","15","18","3529","","10.1039/c2ce26552d","","","0.71073","MoKα","","0.1752","0.0604","","","0.1523","0.191","","","","","","0.898","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209518","6.819","0.005","10.781","0.005","14.252","0.005","72.89","0.005","80.394","0.005","74.456","0.005","960.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl5 N3 O5 U -","- C10 H10 Cl5 N3 O5 U -","- C20 H20 Cl10 N6 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0631","0.0552","","","0.1567","0.1679","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209519","9.739","0.005","16.484","0.005","12.95","0.005","90","0.005","102.36","0.005","90","0.005","2030.8","1.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Br2 Cl3 N3 O5 U -","- C10 H10 Br2 Cl3 N3 O5 U -","- C40 H40 Br8 Cl12 N12 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0838","0.0463","","","0.1076","0.1396","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209520","7.9797","0.0005","25.0428","0.0017","14.7303","0.001","90","","103.019","0.002","90","","2868","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl3 I3 N5 O8 U -","- C15 H15 Cl3 I3 N5 O8 U -","- C60 H60 Cl12 I12 N20 O32 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0778","0.0543","","","0.1333","0.1476","","","","","","1.049","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7209521","15.893","0.002","26.122","0.004","25.301","0.003","90","","94.641","0.002","90","","10469","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C158 H65 Br3 N8 -","- C158 H65 Br3 N8 -","- C632 H260 Br12 N32 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","0.71073","MoKα","","0.0621","0.0482","","","0.1159","0.1227","","","","","","1.033","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209522","15.5528","0.0007","26.013","0.0012","27.1199","0.0012","90","","93.28","0.002","90","","10954.1","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C690 H286 Br14 N32 O6 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","1.54178","CuKα","","0.0549","0.0534","","","0.1294","0.1305","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209523","8.9378","0.0018","15.708","0.003","8.9066","0.0018","90","","100.67","0.03","90","","1228.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O10 -","- C10 H9 Dy O10 -","- C40 H36 Dy4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.068","0.0441","","","0.0799","0.0858","","","","","","1.148","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209524","8.9007","0.0018","15.592","0.003","8.8728","0.0018","90","","100.63","0.03","90","","1210.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Er O10 -","- C10 H9 Er O10 -","- C40 H36 Er4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0783","0.0503","","","0.0819","0.0882","","","","","","1.191","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209525","8.96312","0.00018","15.7701","0.0003","8.95189","0.00018","90","","100.376","0.002","90","","1244.65","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Eu O10 -","- C10 H9 Eu O10 -","- C40 H36 Eu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0271","0.021","","","0.0452","0.0467","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209526","8.9811","0.0003","15.7995","0.0006","8.9343","0.0003","90","","100.505","0.003","90","","1246.5","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Gd O10 -","- C10 H9 Gd O10 -","- C40 H36 Gd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0319","0.0243","","","0.0518","0.0569","","","","","","1.072","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209527","8.93845","0.00013","15.6658","0.0002","8.88816","0.00016","90","","100.648","0.0015","90","","1223.16","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Ho O10 -","- C10 H9 Ho O10 -","- C40 H36 Ho4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0235","0.0203","","","0.0445","0.0461","","","","","","1.11","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209528","8.9151","0.0018","15.521","0.003","8.8732","0.0018","90","","100.58","0.03","90","","1206.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Lu O10 -","- C10 H9 Lu O10 -","- C40 H36 Lu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0629","0.0434","","","0.0671","0.071","","","","","","1.236","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209529","19.808","0.004","9.989","0.002","6.9059","0.0014","90","","106.03","0.03","90","","1313.3","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 Nd O10 -","- C10 H9 Nd O10 -","- C40 H36 Nd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0215","0.0204","","","0.048","0.0484","","","","","","1.034","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209530","19.115","0.004","9.674","0.0019","6.6627","0.0013","90","","106.72","0.03","90","","1180","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 O10 Pr -","- C10 H9 O10 Pr -","- C40 H36 O40 Pr4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0449","0.0447","","","0.1093","0.1097","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209531","8.92","0.0018","15.66","0.003","8.95","0.0018","90","","100.58","0.03","90","","1228.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Tb -","- C10 H5 O10 Tb -","- C40 H20 O40 Tb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0703","0.0495","","","0.077","0.0821","","","","","","1.235","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209532","8.8839","0.0005","15.4942","0.0011","8.8941","0.0006","90","","100.575","0.006","90","","1203.47","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Yb -","- C10 H9 O10 Yb -","- C40 H36 O40 Yb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0372","0.0266","","","0.0679","0.0702","","","","","","1.057","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209533","27.6","0.004","27.6","0.004","26.7","0.005","90","","90","","90","","20339","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H66 Cl Cu5 N20 O38.5 V16 -","- C624 H528 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1116","0.0748","","","0.1861","0.2084","","","","","","1.041","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209534","27.672","0.004","27.672","0.004","26.693","0.005","90","","90","","90","","20440","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H70 Cl Cu5 N20 O38.5 V16 -","- C624 H560 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1204","0.062","","","0.1471","0.1721","","","","","","0.926","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209535","20.059","0.0006","20.059","0.0006","7.1686","0.0004","90","","90","","120","","2497.95","0.17","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(EtOH)0.66","","","- C25.32 H9.96 F3.72 I6 N6 O0.66 P0.62 S12 -","- C24 H6 F3 I6 N6 O6 P0.5 S12 -","- C48 H12 F6 I12 N12 O12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.045","0.0424","","","0.1435","0.1458","","","","","","1.225","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209536","20.046","0.0008","20.046","0.0008","7.1715","0.0005","90","","90","","120","","2495.7","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.70(1-PrOH)0.65","","","- C25.95 H11.2 F4.2 I6 N6 O0.65 P0.7 S12 -","- C37 H6 F3 I6 N6 O2.04 P0.5 S12 -","- C74 H12 F6 I12 N12 O4.08 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0734","0.0729","","","0.1597","0.1599","","","","","","1.489","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209537","20.0545","0.0008","20.0545","0.0008","7.1733","0.0005","90","","90","","120","","2498.5","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.63(2-PrOH)0.92","","","- C26.76 H13.36 F3.78 I6 N6 O0.92 P0.63 S12 -","- C38.98 H6 F3 I6 N6 P0.5 S12 -","- C77.96 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0495","0.0487","","","0.1103","0.1123","","","","","","1.287","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209538","20.0989","0.0009","20.0989","0.0009","7.2043","0.0006","90","","90","","120","","2520.4","0.3","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.51(Acetone)1.97","","","- C29.91 H17.82 F3.06 I6 N6 O1.97 P0.51 S12 -","- C30.02 H17.88 F3 I6 N6 O1.98 P0.5 S12 -","- C60.04 H35.76 F6 I12 N12 O3.96 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0582","0.0577","","","0.1198","0.1199","","","","","","1.539","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209539","20.0593","0.0013","20.0593","0.0013","7.1695","0.0009","90","","90","","120","","2498.3","0.4","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(AcOEt)0.49","","","- C25.96 H9.92 F3.72 I6 N6 O0.98 P0.62 S12 -","- C36.96 H6 F3 I6 N6 P0.5 S12 -","- C73.92 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0526","0.0503","","","0.1187","0.1198","","","","","","1.469","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209540","4.902","0.0003","21.4561","0.0012","12.1298","0.0007","90","","100.151","0.002","90","","1255.82","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCOOH)2","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCOOH)2","","- C24 H10 F8 I2 N4 O4 -","- C24 H10 F8 I2 N4 O4 -","- C48 H20 F16 I4 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0239","0.0207","","","0.0492","0.0508","","","","","","1.068","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209541","4.8724","0.0003","22.0007","0.0013","11.6936","0.0007","90","","101.336","0.003","90","","1229.06","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhCOOH)2","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCOOH)2","","- C24 H10 Br2 F8 N4 O4 -","- C24 H10 Br2 F8 N4 O4 -","- C48 H20 Br4 F16 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0275","0.0261","","","0.0679","0.0688","","","","","","1.084","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209542","19.0228","0.0011","16.8636","0.001","7.2425","0.0004","90","","93.198","0.002","90","","2319.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","","- C22 H10 F8 I2 N4 O2 -","- C22 H10 F8 I2 N4 O2 -","- C88 H40 F32 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0196","0.0176","","","0.045","0.0463","","","","","","1.021","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209543","18.2149","0.0008","16.4379","0.0007","7.4736","0.0004","90","","99.631","0.002","90","","2206.17","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhOH)2","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhOH)2","","- C22 H10 Br2 F8 N4 O2 -","- C22 H10 Br2 F8 N4 O2 -","- C88 H40 Br8 F32 N16 O8 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0375","0.0265","","","0.0656","0.0699","","","","","","0.998","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209544","5.6341","0.0004","10.4834","0.0007","11.5197","0.0008","75.365","0.002","77.562","0.002","80.975","0.002","639.09","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCH=NOH)2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCH=NOH)2","","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0194","0.0186","","","0.0439","0.0444","","","","","","1.085","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209545","8.35","0.0008","8.3646","0.0008","9.8996","0.001","105.765","0.003","103.151","0.003","99.733","0.003","628","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0597","0.048","","","0.1208","0.1288","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209546","6.2112","0.0008","8.1879","0.0011","8.9824","0.0012","84.843","0.003","70.837","0.003","77.402","0.003","421.03","0.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4- PhCOOH)","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4-PhCOOH)","","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","1","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0489","0.0433","","","0.1123","0.1149","","","","","","1.065","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209547","10.1601","0.0006","13.4584","0.0008","14.4512","0.001","112.181","0.004","90.56","0.004","111.547","0.004","1676.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Br F4 N4 O2 -","- C17 H9 Br F4 N4 O2 -","- C68 H36 Br4 F16 N16 O8 -","4","2","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.1012","0.0886","","","0.227","0.2362","","","","","","1.078","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209548","6.1515","0.0005","9.8197","0.0007","13.7443","0.001","81.558","0.003","85.932","0.003","78.342","0.003","803.57","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","","- C16 H9 F4 I N4 O -","- C16 H9 F4 I N4 O -","- C32 H18 F8 I2 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0293","0.0275","","","0.0746","0.0756","","","","","","1.082","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209549","6.3706","0.0003","9.567","0.0005","13.3289","0.0007","79.453","0.002","83.09","0.002","79.476","0.001","782.03","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","","- C16 H9 Br F4 N4 O -","- C16 H9 Br F4 N4 O -","- C32 H18 Br2 F8 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0699","0.072","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209550","17.6282","0.0007","6.3167","0.0003","31.7318","0.0014","90","","96.518","0.002","90","","3510.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","","- C17 H10 F4 I N5 O -","- C17 H10 F4 I N5 O -","- C136 H80 F32 I8 N40 O8 -","8","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0303","0.0239","","","0.0548","0.0575","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209551","10.2846","0.001","4.6215","0.0005","27.841","0.002","90","","98.246","0.006","90","","1309.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C48 H24 Br4 F16 N12 O4 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0763","0.0595","","","0.1457","0.1586","","","","","","1.099","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209552","11.826","0.0005","5.0779","0.0002","14.4717","0.0006","90","","113.431","0.002","90","","797.38","0.06","123","1","123","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 F8 I2 -","- C16 F8 I2 -","- C32 F16 I4 -","2","0.5","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0233","0.0223","","","0.0545","0.055","","","","","","1.087","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209553","13.7911","0.0004","30.7832","0.001","8.3658","0.0001","90","","96.292","0.0019","90","","3530.17","0.16","150","1","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H36 F8 I3 N -","- C32 H36 F8 I3 N -","- C128 H144 F32 I12 N4 -","4","1","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0553","0.0433","","","0.0965","0.106","","","","","","1.069","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209554","14.347","0.0007","6.471","0.0003","76.54","0.003","90","","92.998","0.004","90","","7096.2","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C144 H48 I16 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0635","","","","0.1857","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209555","7.632","0.005","11.716","0.007","20.19","0.01","98.87","0.01","93.4","0.008","101.19","0.01","1742.4","1.8","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 N Ni2 S20 -","- C18 H6 Br2 N Ni2 S20 -","- C36 H12 Br4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0533","","","","0.1805","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209556","35.368","0.007","11.088","0.002","13.129","0.003","90","","103.317","0.003","90","","5010.2","1.8","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 I2 N Ni3 S30 -","- C24 H6 I2 N Ni3 S30 -","- C96 H24 I8 N4 Ni12 S120 -","4","0.5","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0389","","","","0.1034","","","","","","0.976","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209557","14.218","0.004","6.436","0.001","76.15","0.02","90","","93.836","0.009","90","","6953","3","296.2","","296.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Br I N Ni2 S20 -","- C18 H6 Br I N Ni2 S20 -","- C144 H48 Br8 I8 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0549","","","","0.1734","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209558","7.427","0.002","11.68","0.003","21.199","0.007","81.935","0.01","96.406","0.011","99.938","0.011","1786.2","0.9","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C36 H12 I4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0559","","","","0.1679","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209559","11.4552","0.0013","10.586","0.002","18.08","0.003","90","","107.115","0.003","90","","2095.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N3 O4 Zn -","- C22 H16 N3 O4 Zn -","- C88 H64 N12 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0733","0.0393","","","0.0998","0.1066","","","","","","0.897","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209560","11.5009","0.0014","10.475","0.002","18.115","0.003","90","","103.417","0.004","90","","2122.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N4 O4 Zn -","- C22 H17 N4 O4 Zn -","- C88 H68 N16 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0738","0.0385","","","0.0801","0.0858","","","","","","0.824","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209561","15.1367","0.0016","9.579","0.002","18.531","0.003","90","","96.767","0.003","90","","2668.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 N6 O14 Zn3 -","- C52 H40 N6 O14 Zn3 -","- C104 H80 N12 O28 Zn6 -","2","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.1197","0.0508","","","0.1044","0.1173","","","","","","0.818","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209562","25.161","0.003","11.253","0.002","18.172","0.003","90","","90","0.004","90","","5145.2","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 N6 O14 Zn3 -","- C46 H34 N6 O14 Zn3 -","- C184 H136 N24 O56 Zn12 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0951","0.045","","","0.1066","0.1151","","","","","","0.871","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209563","9.176","0.005","10.783","0.002","11.423","0.003","80.53","0.006","67.186","0.007","78.205","0.002","1015.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N3 O5 -","- C22 H18 Cd N3 O5 -","- C44 H36 Cd2 N6 O10 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0824","0.0389","","","0.0518","0.055","","","","","","0.773","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209564","8.424","0.002","9.959","0.006","11.898","0.005","90.723","0.004","105.561","0.008","101.282","0.005","940.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C44 H32 Cd2 N6 O8 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0676","0.047","","","0.1172","0.1208","","","","","","1.088","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209565","8.38","0.0014","20.837","0.004","11.227","0.003","90","","101.346","0.005","90","","1922.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C88 H64 Cd4 N12 O16 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0749","0.0357","","","0.0634","0.0687","","","","","","0.872","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209566","10.393","0.002","23.046","0.006","28.526","0.005","90","","95.381","0.004","90","","6802","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 Cd2 N6 O10 -","- C45 H28 Cd2 N6 O10 -","- C180 H112 Cd8 N24 O40 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.1699","0.0741","","","0.1722","0.1906","","","","","","1.013","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209567","24.935","0.003","14.5352","0.0015","17.7035","0.0019","90","","131.687","0.002","90","","4791.7","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 Cl4 Co2 N12 O2 -","- C53 H44 Cl4 Co2 N12 O2 -","- C212 H176 Cl16 Co8 N48 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0709","0.0527","","","0.1319","0.1439","","","","","","1.027","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209568","12.4628","0.0018","10.8337","0.0015","20.597","0.003","90","","105.875","0.003","90","","2674.9","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H44 Cl6 Cu4 N12 O2 -","- C53 H44 Cl6 Cu4 N12 O2 -","- C106 H88 Cl12 Cu8 N24 O4 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1474","0.1288","","","0.2922","0.3017","","","","","","1.129","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209569","10.271","0.004","17.067","0.006","12.28","0.005","90","","91.22","0.009","90","","2152.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl2 Cu2 N12 -","- C50 H34 Cl2 Cu2 N12 -","- C100 H68 Cl4 Cu4 N24 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1336","0.051","","","0.0973","0.1279","","","","","","0.941","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209570","7.8615","0.0006","10.7668","0.0008","14.0784","0.001","73.473","0.001","84.73","0.002","89.354","0.001","1137.44","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N6 Zn -","- C25 H18 Cl2 N6 Zn -","- C50 H36 Cl4 N12 Zn2 -","2","1","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0385","0.0313","","","0.0895","0.1106","","","","","","1.105","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209571","12.8398","0.0018","5.1086","0.0007","15.192","0.002","90","","105.007","0.003","90","","962.5","0.2","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C25 H18 N6 -","- C25 H18 N6 -","- C50 H36 N12 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0555","0.0401","","","0.1053","0.1149","","","","","","1.08","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209572","16.896","0.001","16.503","0.001","27.4254","0.0016","90","","101.07","0.001","90","","7504.9","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H62 Cl6 Cu6 N18 O2 -","- C78 H62 Cl6 Cu6 N18 O2 -","- C312 H248 Cl24 Cu24 N72 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.047","0.0344","","","0.0889","0.0967","","","","","","1.027","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209573","8.71","0.004","10.353","0.005","14.973","0.007","107.204","0.01","92.64","0.011","94.681","0.011","1282","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N10 O4 -","- C22 H16 N10 O4 -","- C44 H32 N20 O8 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0895","0.0642","","","0.1826","0.1953","","","","","","1.194","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209574","8.366","0.001","9.982","0.001","14.679","0.002","91.465","0.001","97.58","0.003","105.924","0.003","1166","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N10 O3 S -","- C20 H22 N10 O3 S -","- C40 H44 N20 O6 S2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1038","0.0862","","","0.2387","0.2577","","","","","","1.01","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209575","8.9692","0.0018","10.621","0.002","14.453","0.003","83.86","0.03","85.29","0.03","77.44","0.03","1333.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N10 O -","- C18 H16 N10 O -","- C36 H32 N20 O2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0823","0.0716","","","0.1759","0.1805","","","","","","1.032","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209576","15.882","0.004","7.619","0.002","17.176","0.004","90","","115.635","0.005","90","","1873.8","0.8","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0824","0.0489","","","0.0981","0.1084","","","","","","0.903","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209577","12.342","0.003","13.853","0.003","14.853","0.003","90","","101.91","0.03","90","","2484.8","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1017","0.0843","","","0.2246","0.2339","","","","","","1.061","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209578","15.3134","0.0003","14.0411","0.0002","16.3451","0.0003","90","","90.219","0.001","90","","3514.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Cd2 N4 O9 -","- C35 H30 Cd2 N4 O9 -","- C140 H120 Cd8 N16 O36 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0551","0.045","","","0.2223","0.2457","","","","","","1.081","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209579","20.3025","0.0012","14.0277","0.0003","19.7191","0.0007","90","","120.074","0.005","90","","4859.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Cd N4 O4 -","- C23 H21 Cd N4 O4 -","- C184 H168 Cd8 N32 O32 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0924","0.0823","","","0.2423","0.2654","","","","","","1.086","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209580","13.443","0.0004","13.801","0.0005","18.8121","0.0004","90.97","0.002","104.982","0.002","116.719","0.003","2975.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N8 O12.5 -","- C58 H46 Cd2 N8 O12.5 -","- C116 H92 Cd4 N16 O25 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0635","0.0551","","","0.1726","0.1852","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209581","9.7163","0.0004","9.3623","0.0003","18.4041","0.0008","90","","105.392","0.004","90","","1614.12","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Cd N9 O4 -","- C30 H36 Cd N9 O4 -","- C60 H72 Cd2 N18 O8 -","2","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0331","0.0287","","","0.0703","0.0738","","","","","","1.028","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209582","29.2901","0.0008","9.4068","0.0003","17.3833","0.0005","90","","124.817","0.003","90","","3932.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd N9 O4 -","- C30 H34 Cd N9 O4 -","- C120 H136 Cd4 N36 O16 -","4","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0552","0.051","","","0.1458","0.1531","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209583","10.1726","0.0006","11.8494","0.0007","13.6326","0.0008","68.34","0.006","70.388","0.006","68.92","0.005","1385.48","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H20 Br3 Cd Co0 Ho0 N4 O6 -","- C23 H20 Br3 Cd N4 O6 -","- C46 H40 Br6 Cd2 N8 O12 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0541","0.0499","","","0.1362","0.1422","","","","","","1.016","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209584","19.639","0.003","13.6527","0.001","19.0257","0.0014","90","","119.568","0.007","90","","4436.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Br2 Co N4 O4.5 -","- C19 H19 Br2 Co N4 O4.5 -","- C152 H152 Br16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.096","0.0646","","","0.1609","0.1786","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209585","9.639","0.004","10.219","0.005","21.866","0.01","90","","90","","90","","2153.8","1.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N4 O2 Zn -","- C9 H8 N4 O2 Zn -","- C72 H64 N32 O16 Zn8 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.1061","0.0775","","","0.167","0.1818","","","","","","1.281","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209586","12.7","0.003","12.7","0.003","25.364","0.005","90","","90","","90","","4091","1.6","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O5 Zn2 -","- C12 H10 N8 O5 Zn2 -","- C96 H80 N64 O40 Zn16 -","8","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0844","0.0585","","","0.1628","0.1833","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209587","10.203","0.006","10.005","0.006","18.287","0.01","90","","90.56","0.008","90","","1866.7","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N8 O4 Zn2 -","- C14 H14 N8 O4 Zn2 -","- C56 H56 N32 O16 Zn8 -","4","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0806","0.0655","","","0.1727","0.186","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209588","22.579","0.003","18.542","0.003","13.6018","0.0019","90","","92.614","0.002","90","","5688.6","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N8 O15 Zn4 -","- C22 H18 N8 O15 Zn4 -","- C176 H144 N64 O120 Zn32 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.066","0.0396","","","0.0885","0.1","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209589","7.977","0.0009","16.763","0.002","15.8519","0.0019","90","","100.788","0.002","90","","2082.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N8 O13 Zn3 -","- C14 H12 N8 O13 Zn3 -","- C56 H48 N32 O52 Zn12 -","4","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0866","0.0781","","","0.1936","0.2009","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209590","9.278","0.003","10.106","0.003","12.136","0.003","92.828","0.004","103.413","0.005","111.715","0.006","1016.8","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23.5 Mn N3 O9.75 -","- C16 H22 Mn N3 O9.75 -","- C32 H44 Mn2 N6 O19.5 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1365","0.0825","","","0.1414","0.1629","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209591","10.1259","0.0011","11.6606","0.0013","13.7407","0.0013","91.41","0.003","94.187","0.003","109.446","0.003","1523.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Mn N9 O4 -","- C32 H34 Mn N9 O4 -","- C64 H68 Mn2 N18 O8 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1147","0.0707","","","0.1514","0.1732","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209592","5.059","0.002","9.54","0.004","11.701","0.005","90.952","0.012","91.597","0.011","100.868","0.014","554.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","1","0.5","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.7107","MoKα","","0.1064","0.0604","","","0.123","0.1451","","","","","","1.045","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209593","12.2271","0.0006","16.76","0.0007","14.4858","0.0006","90","","94.476","0.004","90","","2959.5","0.2","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Co N6 O5 -","- C30 H28 Co N6 O5 -","- C120 H112 Co4 N24 O20 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0702","0.0519","","","0.1465","0.1567","","","","","","1.011","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209594","15.253","0.003","15.285","0.003","18.224","0.003","107.496","0.002","101.147","0.003","112.147","0.002","3519.8","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H73 Co4 N12 O28.5 -","- C66 H72 Co4 N12 O28.5 -","- C132 H144 Co8 N24 O57 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1311","0.0833","","","0.1663","0.1909","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209595","10.1205","0.0005","11.8855","0.0007","13.4846","0.0007","91.532","0.005","92.938","0.004","110.081","0.005","1519.72","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N9 Ni O4.5 -","- C32 H34 N9 Ni O4.5 -","- C64 H68 N18 Ni2 O9 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0787","0.0535","","","0.1047","0.116","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209596","10.0375","0.0014","15.2234","0.0018","18.925","0.002","90","","90","","90","","2891.8","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.0781","0.0578","","","0.1321","0.1462","","","","","","1.024","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209597","10.121","0.002","15.235","0.003","19.027","0.004","90","","90","","90","","2933.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.1451","0.0887","","","0.1835","0.2054","","","","","","1.089","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209598","10.51","0.004","8.418","0.003","14.039","0.005","90","","97.052","0.005","90","","1232.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Co N3 O6 -","- C11 H9 Co N3 O6 -","- C44 H36 Co4 N12 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0656","0.0455","","","0.0983","0.1079","","","","","","1.043","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209599","10.4369","0.0003","8.4152","0.0002","13.908","0.0004","90","","96.836","0.003","90","","1212.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 Ni O6 -","- C11 H9 N3 Ni O6 -","- C44 H36 N12 Ni4 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","1.54184","CuKα","","0.0382","0.0349","","","0.0961","0.0989","","","","","","1.078","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209600","11.4084","0.0016","11.115","0.0016","8.8184","0.0012","90","","92.036","0.002","90","","1117.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Mn N3 O5 -","- C11 H7 Mn N3 O5 -","- C44 H28 Mn4 N12 O20 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0569","0.049","","","0.1271","0.134","","","","","","1.056","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209601","17.422","0.002","9.824","0.0014","15.803","0.002","90","","105.435","0.002","90","","2607.2","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O7 Zn -","- C11 H11 N3 O7 Zn -","- C88 H88 N24 O56 Zn8 -","8","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0253","0.0221","","","0.0607","0.0629","","","","","","1.011","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209602","20.3883","0.0013","20.3883","0.0013","20.3883","0.0013","54.956","0.004","54.956","0.004","54.956","0.004","5289.3","0.7","298","2","298","2","","","","","","","","5","R -3 m :R","-P 3* 2","166","","","","- C24 H12 Cu2 N2 O12 -","- C24 H12 Cu2 N2 O12 -","- C72 H36 Cu6 N6 O36 -","3","0.25","","Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng","Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture","CrystEngComm","2013","15","18","3517","","10.1039/c3ce26177h","","","0.71073","MoKα","","0.0578","0.0522","","","0.1537","0.1571","","","","","","1.054","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209603","19.056","0.005","24.415","0.006","15.698","0.004","90","","109.463","0.013","90","","6886","3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H70 O35 -","- C42 H70 O35 -","- C168 H280 O140 -","4","1","","Ramos, Ana I.; Braga, Teresa M.; Silva, Patrícia; Fernandes, José A.; Ribeiro-Claro, Paulo; Lopes, Maria de Fátima Silva; Paz, Filipe A. Almeida; Braga, Susana S.","Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action","CrystEngComm","2013","15","15","2822","","10.1039/c3ce26414a","","","0.71073","MoKα","","0.2548","0.1366","","","0.3486","0.3942","","","","","","0.918","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209604","8.057","0.003","15.966","0.006","3.447","0.0016","90","","100.06","0.03","90","","436.6","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 F O9 -","- B3 Cd5 F O9 -","- B6 Cd10 F2 O18 -","2","0.5","","Zou, Guohong; Zhang, Liyuan; Ye, Ning","Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F","CrystEngComm","2013","15","13","2422","","10.1039/c3ce26506d","","","0.71073","MoKα","","0.0359","0.0346","","","0.0736","0.0742","","","","","","1.172","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209605","6.9513","0.001","8.9349","0.0013","17.922","0.002","83.047","0.002","84.916","0.002","79.039","0.002","1082.3","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","1","0.5","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Co-crystallization turned on the phosphorescence of phenanthrene by C‒Br⋯π halogen bonding, π‒hole⋯π bonding and other assisting interactions","CrystEngComm","2013","15","14","2722","","10.1039/c3ce26661c","","","0.71073","MoKα","","0.0428","0.0307","","","0.0667","0.071","","","","","","1.028","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209606","10.6086","0.0007","21.0572","0.0007","11.4521","0.0007","90","","112.68","0.002","90","","2360.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-ClPhO-BsubPc","(3-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C120 H64 B4 Cl4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1475","0.0609","","","0.1242","0.1591","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209607","10.6874","0.0003","21.2084","0.0005","11.4373","0.0003","90","","113.079","0.0013","90","","2384.93","0.11","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-BrPhO-BsubPc","(3-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0983","0.0472","","","0.094","0.1113","","","","","","1.032","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209608","20.58","0.0004","17.0942","0.0004","16.7268","0.0004","90","","109.811","0.001","90","","5536.2","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C240 H128 B8 I8 N48 O8 -","8","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0416","0.0292","","","0.0663","0.0694","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209609","10.8999","0.0004","21.4167","0.0006","11.4529","0.0004","90","","114.267","0.0015","90","","2437.33","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1224","0.0572","","","0.1365","0.1769","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209610","10.1276","0.0003","10.835","0.0003","11.8593","0.0004","86.4627","0.0015","77.0822","0.0013","64.904","0.0015","1147.87","0.06","150","1","150","1","","","","","","","","6","P -1","-P 1","2","o-FPhO-BsubPc","(2-Fluorophenolato)(subphthalocyaninato)boron","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0897","0.0557","","","0.1396","0.1637","","","","","","1.046","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209611","8.088","0.0002","42.9323","0.0014","13.7269","0.0004","90","","99.379","0.0015","90","","4702.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-ClPhO-BsubPc","(2-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C240 H128 B8 Cl8 N48 O8 -","8","2","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.116","0.0609","","","0.1396","0.1708","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209612","10.8223","0.0005","20.6856","0.0011","11.5946","0.0004","90","","112.325","0.003","90","","2401.1","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-BrPhO-BsubPc","(2-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1398","0.0865","","","0.2227","0.2668","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209613","10.1641","0.0003","13.89","0.0004","19.3994","0.0006","90","","97.604","0.0016","90","","2714.71","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C33 H19 B I N6 O -","- C33 H19 B I N6 O -","- C132 H76 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.084","0.0479","","","0.1127","0.1317","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209614","11.0324","0.0005","20.5587","0.0008","11.6778","0.0006","90","","112.71","0.002","90","","2443.3","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1609","0.0914","","","0.2426","0.3026","","","","","","1.021","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209615","8.5099","0.0003","12.5191","0.0004","13.8756","0.0006","107.637","0.002","100.015","0.002","99.28","0.003","1350.77","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","Cl5-BsubPc","(Pentachlorophenolato)(subphthalocyaninato)boron","","- C30 H12 B Cl5 N6 O -","- C30 H12 B Cl5 N6 O -","- C60 H24 B2 Cl10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1322","0.0624","","","0.1477","0.1882","","","","","","1.02","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209616","11.0395","0.0003","11.7114","0.0004","13.16","0.0004","115.177","0.0018","94.94","0.0019","93.673","0.0017","1524.47","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C33 H15 B Br5 N6 O -","- C33 H15 B Br5 N6 O -","- C66 H30 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0632","0.0439","","","0.1036","0.1132","","","","","","1.009","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209617","8.4976","0.0003","12.9454","0.0004","13.965","0.0005","107.243","0.0018","97.553","0.002","101.703","0.002","1406.21","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C30 H12 B Br5 N6 O -","- C30 H12 B Br5 N6 O -","- C60 H24 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0984","0.0656","","","0.1717","0.1901","","","","","","1.047","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209618","26.1217","0.001","20.3172","0.0006","21.5286","0.0005","90","","90.214","0.003","90","","11425.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Ge5 N12 O30 V6 -","- C24 H48 Ge5 N12 O30 V6 -","- C192 H384 Ge40 N96 O240 V48 -","8","1","","You, Li-Sheng; Zhu, Qin-Yu; Zhang, Xiang; Pu, Ya-Yang; Bian, Guo-Qing; Dai, Jie","A new type of germanium‒vanadate cluster, [Ge5V6O21(heda)6] (Hheda = N-(2-hydroxyethyl)ethylenediamine)","CrystEngComm","2013","15","13","2411","","10.1039/c3ce26726a","","","0.71073","MoKα","","0.1205","0.0686","","","0.1644","0.1976","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209619","14.4599","0.0002","14.9417","0.0002","15.0638","0.0002","90","","117.683","0.001","90","","2882.07","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl F4 I2 P -","- C22 H36 Cl F4 I2 P -","- C88 H144 Cl4 F16 I8 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.0269","0.0209","","","0.0492","0.0537","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209620","48.3095","0.001","8.7022","0.0002","13.6477","0.0003","90","","90","","90","","5737.5","0.2","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Br F4 I2 N -","- C22 H36 Br F4 I2 N -","- C176 H288 Br8 F32 I16 N8 -","8","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.074","0.0667","","","0.1845","0.1889","","","","","","1.123","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209621","49.7447","0.001","8.4785","0.0002","14.1541","0.0003","90","","104.119","0.001","90","","5789.3","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Br2 F8 I4 P2 -","- C44 H72 Br2 F8 I4 P2 -","- C176 H288 Br8 F32 I16 P8 -","4","0.5","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.057","0.0429","","","0.1057","0.1136","","","","","","1.002","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209622","10.8351","0.0003","11.8074","0.0003","17.0179","0.0004","90","","92.343","0.001","90","","2175.35","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br F2 I P -","- C23 H20 Br F2 I P -","- C92 H80 Br4 F8 I4 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.019","0.0167","","","0.0452","0.0464","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209623","8.687","0.0017","8.9","0.0018","13.039","0.003","104.06","0.03","97.67","0.03","105.15","0.03","922.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.1409","0.0957","","","0.1819","0.209","","","","","","1.12","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209624","3.88","0.003","10.058","0.006","12.438","0.009","76.64","0.03","88.3","0.04","82.26","0.04","468","0.6","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","1","0.5","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.0715","0.0499","","","0.1241","0.1397","","","","","","1.015","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209625","7.969","0.0001","10.1122","0.0001","17.9406","0.0003","92.936","0.001","94.163","0.001","106.062","0.001","1381.78","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+carbamazepine+methanol","","- C29 H33 Cl N6 O3 -","- C29 H33 Cl N6 O3 -","- C58 H66 Cl2 N12 O6 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0544","","","0.1253","0.1415","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209626","7.9789","0.0004","10.3092","0.0005","13.6586","0.0007","68.186","0.003","87.884","0.002","75.726","0.003","1008.98","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+theophylline","","- C19 H21 Cl N8 O2 -","- C19 H21 Cl N8 O2 -","- C38 H42 Cl2 N16 O4 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0771","0.0543","","","0.1318","0.1472","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209627","6.904","0.0001","7.5866","0.0001","21.2823","0.0003","85.364","0.001","81.052","0.001","79.007","0.001","1079.44","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Pyrimethaminium+saccharinate+methanol","","- C20 H22 Cl N5 O4 S -","- C20 H22 Cl N5 O4 S -","- C40 H44 Cl2 N10 O8 S2 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0506","0.0388","","","0.0936","0.1009","","","","","","1.031","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209628","7.8393","0.0002","11.0472","0.0003","12.106","0.0004","82.881","0.002","71.67","0.002","69.719","0.002","933.38","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+alpha-ketoglutarate","","- C17 H19 Cl N4 O5 -","- C17 H19 Cl N4 O5 -","- C34 H38 Cl2 N8 O10 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0585","0.0409","","","0.1008","0.111","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209629","10.0012","0.0003","11.5494","0.0004","11.7171","0.0004","107.432","0.002","106.355","0.002","99.557","0.002","1191.77","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+aspirinate+acetonitrile","","- C23 H24 Cl N5 O4 -","- C23 H24 Cl N5 O4 -","- C46 H48 Cl2 N10 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0471","","","0.124","0.1386","","","","","","1.014","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209630","7.6086","0.0001","9.945","0.0002","14.6138","0.0003","80.963","0.001","87.224","0.001","72.816","0.001","1043.31","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+p-coumarate+water","","- C21 H23 Cl N4 O4 -","- C21 H23 Cl N4 O4 -","- C42 H46 Cl2 N8 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0551","0.0383","","","0.1106","0.1153","","","","","","1.038","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209631","10.194","0.0013","13.2638","0.0017","12.8106","0.0016","90","","106.048","0.002","90","","1664.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Gd N O9 -","- C12 H21 Gd N O9 -","- C48 H84 Gd4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0634","0.0588","","","0.1146","0.1163","","","","","","1.256","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209632","10.287","0.0007","13.2402","0.0009","12.8956","0.0009","90","","106.596","0.001","90","","1683.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N O9 Tb -","- C12 H21 N O9 Tb -","- C48 H84 N4 O36 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0457","0.0399","","","0.0765","0.0781","","","","","","1.216","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209633","10.2267","0.0008","13.2034","0.0011","12.8125","0.0011","90","","106.391","0.0016","90","","1659.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Dy N O9 -","- C12 H22 Dy N O9 -","- C48 H88 Dy4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.056","0.0416","","","0.0862","0.0916","","","","","","1.088","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209634","10.2606","0.0005","13.2388","0.0007","12.8502","0.0007","90","","106.629","0.001","90","","1672.54","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Ho2 N2 O18 -","- C24 H42 Ho2 N2 O18 -","- C48 H84 Ho4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0975","0.115","","","","","","1.288","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209635","10.2427","0.0004","13.2007","0.0004","12.8252","0.0005","90","","106.646","0.002","90","","1661.43","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Er2 N2 O18 -","- C24 H42 Er2 N2 O18 -","- C48 H84 Er4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0412","0.0369","","","0.0765","0.0788","","","","","","0.884","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209636","8.2558","0.0017","10.82","0.002","14.719","0.003","90","","90","","90","","1314.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.027","0.0246","","","0.0597","0.061","","","","","","1.082","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209637","8.1149","0.0016","10.823","0.002","14.712","0.003","90","","90","","90","","1292.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.041","0.0377","","","0.0939","0.096","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209638","8.1597","0.0016","10.818","0.002","14.716","0.003","90","","90","","90","","1299","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0337","0.0302","","","0.07","0.072","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209639","8.1878","0.0008","10.8856","0.0011","14.7371","0.0015","90","","90","","90","","1313.5","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209640","10.7549","0.0019","12.012","0.002","7.6348","0.0014","90","","109.318","0.002","90","","930.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 Cd O5 -","- C9 H8 Cd O5 -","- C36 H32 Cd4 O20 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0168","0.0156","","","0.039","0.0399","","","","","","1.058","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209641","8.3518","0.0014","15.361","0.003","16.038","0.003","90","","100.053","0.002","90","","2026","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N2 O4 -","- C22 H20 Cd N2 O4 -","- C88 H80 Cd4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0415","0.0276","","","0.0454","0.0481","","","","","","1.052","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209642","8.8542","0.0011","10.5788","0.0013","10.917","0.0013","108.08","0.001","92.099","0.001","92.315","0.001","970","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O4 -","- C21 H16 Cd N2 O4 -","- C42 H32 Cd2 N4 O8 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0249","0.0234","","","0.0575","0.0588","","","","","","1.053","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209643","10.095","0.002","15.929","0.003","14.236","0.003","90","","106.156","0.002","90","","2198.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cd3 N4 O12 -","- C46 H42 Cd3 N4 O12 -","- C92 H84 Cd6 N8 O24 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0479","0.0345","","","0.0804","0.0884","","","","","","1.034","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209644","10.198","0.002","22.367","0.005","13.285","0.003","90","","97.775","0.003","90","","3002.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cd3 N9 O14 -","- C17 H31 Cd3 N9 O14 -","- C68 H124 Cd12 N36 O56 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0637","0.0542","","","0.1587","0.1672","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209645","4.933","0.0003","8.4214","0.0005","12.3642","0.0008","100.542","0.005","82.986","0.005","97.144","0.005","498.45","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDA cocrystal with oxalamide host","","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Jin, Hongjian; Plonka, Anna M.; Parise, John B.; Goroff, Nancy S.","Pressure induced topochemical polymerization of diiodobutadiyne: a single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","16","3106","","10.1039/c3ce26851a","","","0.71073","MoKα","","0.1125","0.0673","","","0.1787","0.2064","","","","","","1.05","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209646","11.4581","0.0004","11.6819","0.0004","11.8696","0.0006","64.132","0.004","81.202","0.004","72.663","0.003","1364.15","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","1","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0695","0.0609","","","0.155","0.1622","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209647","39.4912","0.0015","23.7984","0.0012","8.9131","0.0003","90","","90","","90","","8376.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 N16 O13 Zn3 -","- C33 H22 N16 O13 Zn3 -","- C264 H176 N128 O104 Zn24 -","8","1","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.1318","0.0749","","","0.1412","0.167","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209648","7.9992","0.0004","7.6259","0.0003","20.6651","0.001","90","","97.391","0.004","90","","1250.12","0.1","121.2","","121.2","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H8 Cd2 K3 N9 O16 -","- C12 H8 Cd2 K3 N9 O16 -","- C24 H16 Cd4 K6 N18 O32 -","2","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0422","0.0404","","","0.1162","0.1183","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209649","5.2649","0.0011","8.6837","0.0017","10.192","0.002","105.83","0.03","96.18","0.03","101.4","0.03","432.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.1018","0.0597","","","0.1803","0.242","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209650","8.781","0.005","10.066","0.007","10.289","0.006","99.273","0.01","107.452","0.009","110.288","0.009","777.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0968","0.0467","","","0.111","0.1581","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209651","7.0147","0.0014","7.5439","0.0015","12.6","0.003","76.07","0.03","81.7","0.03","88.92","0.03","640.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0687","0.0608","","","0.18","0.1904","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209652","8.319","0.003","10.152","0.004","10.642","0.003","87.5","0.006","73.992","0.004","69.092","0.006","805.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F4 N2 O4 -","- C18 H10 F4 N2 O4 -","- C36 H20 F8 N4 O8 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0473","","","0.1238","0.1436","","","","","","1.061","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209653","10.041","0.002","6.8049","0.0014","13.405","0.003","90","","100.97","0.03","90","","899.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H10 F4 N4 O5 -","- C20 H10 F4 N4 O5 -","- C40 H20 F8 N8 O10 -","2","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0382","0.0356","","","0.0997","0.1011","","","","","","1.087","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209654","7.9033","0.0016","7.9444","0.0016","13.749","0.003","99.65","0.03","96.63","0.03","91.26","0.03","844.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0702","0.0604","","","0.2249","0.2335","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209655","7.8627","0.0016","9.6759","0.0019","13.503","0.003","79.34","0.03","81.08","0.03","66.64","0.03","923","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F4 N2 O5 -","- C20 H12 F4 N2 O5 -","- C40 H24 F8 N4 O10 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0475","","","0.1461","0.1883","","","","","","1.064","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209656","9.7141","0.0019","7.23","0.0014","17.407","0.004","90","","90","","90","","1222.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0354","0.0345","","","0.0871","0.0882","","","","","","1.066","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209657","5.0356","0.0003","9.3352","0.0006","31.222","0.002","90","","93.442","0.003","90","","1465.05","0.16","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine hemikis(fumaric acid)","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Rahim, Syarifah Abd; Hammond, Robert B.; Sheikh, Ahmad Y.; Roberts, Kevin J.","A comparative assessment of the influence of different crystallization screening methodologies on the solid forms of carbamazepine co-crystals","CrystEngComm","2013","15","19","3862","","10.1039/c3ce26878k","","","0.71073","MoKα","","0.0501","0.0361","","","0.084","0.0944","","","","","","1.068","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209658","22.6172","0.0006","10.9922","0.0003","17.0958","0.0005","90","","118.375","0.001","90","","3739.59","0.18","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cu I2 N O5 -","- C17 H14 Cu I2 N O5 -","- C136 H112 Cu8 I16 N8 O40 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0853","0.0561","","","0.1427","0.1554","","","","","","1.076","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209659","10.445","0.0011","10.5713","0.0011","12.0695","0.0012","64.728","0.006","82.156","0.007","67.008","0.006","1108.7","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0457","0.0341","","","0.1038","0.1125","","","","","","0.82","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209660","11.2066","0.0003","17.1224","0.0004","12.7046","0.0003","90","","96.758","0.002","90","","2420.87","0.1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C84 H56 Cl8 Cu4 I8 N8 O16 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0328","0.0268","","","0.061","0.0631","","","","","","1.055","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209661","9.765","0.0009","9.9384","0.0008","11.6831","0.001","73.381","0.005","80.448","0.005","84.369","0.005","1069.86","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0509","0.0394","","","0.0995","0.1047","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209662","41.924","0.007","8.2952","0.0014","22.541","0.004","90","","90.592","0.003","90","","7839","2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cu2 I4 O12 -","- C32 H32 Cu2 I4 O12 -","- C256 H256 Cu16 I32 O96 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0865","0.0448","","","0.0864","0.0991","","","","","","0.999","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209663","19.847","0.0009","14.0302","0.0006","12.2535","0.0005","90","","116.97","0.002","90","","3041","0.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl2 Cu I2 N4 O6 -","- C27 H22 Cl2 Cu I2 N4 O6 -","- C108 H88 Cl8 Cu4 I8 N16 O24 -","4","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0909","0.0932","","","","","","1.089","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209664","14.5424","0.0003","16.5333","0.0004","18.3008","0.0003","90","","98.676","0.001","90","","4349.78","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cu2 I4 N4 O10 -","- C40 H28 Cu2 I4 N4 O10 -","- C160 H112 Cu8 I16 N16 O40 -","4","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0465","0.0367","","","0.0853","0.0903","","","","","","1.053","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209665","11.175","0.002","11.499","0.002","22.243","0.004","83.95","0.03","83.06","0.03","76.05","0.03","2745","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N10 O18 -","- C48 H38 Cd3 N10 O18 -","- C96 H76 Cd6 N20 O36 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1225","0.1036","","","0.2605","0.2745","","","","","","1.002","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209666","9.985","0.002","10.44","0.002","11.511","0.002","93.48","0.03","97.29","0.03","100.15","0.03","1167.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cd N5 O6 -","- C24 H15 Cd N5 O6 -","- C48 H30 Cd2 N10 O12 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0358","0.0318","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209667","14.495","0.003","16.313","0.003","19.838","0.004","90","","107.07","0.03","90","","4484.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 Cd4 N20 O25 -","- C80 H70 Cd4 N20 O25 -","- C160 H140 Cd8 N40 O50 -","2","0.5","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0899","0.0671","","","0.1539","0.1631","","","","","","1.181","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209668","9.5869","0.0005","9.7706","0.0006","13.3468","0.0006","75.481","0.004","81.145","0.004","63.89","0.005","1085.39","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N5 O7 -","- C20 H19 Cd N5 O7 -","- C40 H38 Cd2 N10 O14 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0372","0.0313","","","0.0763","0.0807","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209669","16.931","0.003","9.908","0.002","21.471","0.004","90","","108.61","0.03","90","","3413.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cd N10 O9 -","- C32 H32 Cd N10 O9 -","- C128 H128 Cd4 N40 O36 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1039","0.0685","","","0.1417","0.1594","","","","","","0.984","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209670","7.041","0.0014","23.337","0.005","13.814","0.004","90","","116.54","0.02","90","","2030.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cd N5 O6 -","- C20 H16 Cd N5 O6 -","- C80 H64 Cd4 N20 O24 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1529","0.126","","","0.2899","0.3007","","","","","","1.282","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209671","13.627","0.004","13.627","0.004","36.416","0.012","90","","90","","90","","6762","4","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 N10 O17 -","- C60 H56 N10 O17 -","- C240 H224 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.1765","0.0917","","","0.2331","0.2713","","","","","","0.931","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209672","13.5368","0.0006","13.5368","0.0006","36.4665","0.0015","90","","90","","90","","6682.3","0.5","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H58 N10 O17 -","- C62 H58 N10 O17 -","- C248 H232 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.0891","0.0717","","","0.2208","0.2361","","","","","","1.104","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209673","6.6678","0.0005","11.953","0.0009","12.7015","0.001","93.451","0.004","103.761","0.004","102.981","0.004","951.2","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0431","0.0302","","","0.0621","0.0661","","","","","","1.027","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209674","6.5847","0.0005","15.8533","0.0013","18.2578","0.0015","92.436","0.006","90.283","0.006","93.469","0.006","1900.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 S2 -","- C32 H28 Cu2 I4 O10 S2 -","- C64 H56 Cu4 I8 O20 S4 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0853","0.0512","","","0.119","0.13","","","","","","1.06","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209675","12.196","0.002","13.011","0.002","13.015","0.002","74.517","0.007","68.073","0.007","87.38","0.008","1843","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0688","0.0411","","","0.0976","0.1093","","","","","","1.058","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209676","12.997","0.003","12.621","0.003","16.88","0.003","90","","96.15","0.03","90","","2753","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Cu2 I4 N6 O14 -","- C46 H58 Cu2 I4 N6 O14 -","- C92 H116 Cu4 I8 N12 O28 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0526","0.0429","","","0.1107","0.1149","","","","","","1.031","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209677","13.4825","0.0004","13.4825","0.0004","9.8363","0.0003","90","","90","","90","","1788.02","0.09","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H32 Cu2 I4 N2 O8 -","- C36 H32 Cu2 I4 N2 O8 -","- C72 H64 Cu4 I8 N4 O16 -","2","0.125","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.12","0.0858","","","0.2484","0.2747","","","","","","1.052","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209678","15.23","0.003","22.664","0.005","27.692","0.005","90","","102.821","0.01","90","","9320","3","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cu2 I4 N2 O8 -","- C38 H24 Cu2 I4 N2 O8 -","- C304 H192 Cu16 I32 N16 O64 -","8","2","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.31","0.1425","","","0.3537","0.4112","","","","","","0.906","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209679","8.2079","0.0019","16.029","0.004","24.699","0.006","102.764","0.017","98.004","0.016","101.353","0.014","3049.9","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cu2 I4 N4 O10 -","- C66 H56 Cu2 I4 N4 O10 -","- C132 H112 Cu4 I8 N8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.231","0.108","","","0.2654","0.3417","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209680","8.4221","0.0012","9.3371","0.0014","14.325","0.002","84.824","0.004","76.353","0.004","84.257","0.005","1086.6","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N4 O7 Zn -","- C21 H22 N4 O7 Zn -","- C42 H44 N8 O14 Zn2 -","2","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0436","0.0375","","","0.08","0.0833","","","","","","1.049","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209681","11.95","0.002","7.6626","0.0015","17.867","0.004","90","","105.24","0.03","90","","1578.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 O5 Zn -","- C18 H12 N4 O5 Zn -","- C72 H48 N16 O20 Zn4 -","4","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0896","0.1068","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209682","9.4123","0.0016","9.4994","0.0007","13.1602","0.0018","74.96","0.02","83.55","0.03","82.9","0.03","1123.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N4 O7 Zn -","- C18 H24 N4 O7 Zn -","- C36 H48 N8 O14 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0631","0.0526","","","0.148","0.1613","","","","","","1.079","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209683","9.413","0.005","18.542","0.009","15.016","0.008","90","","100.205","0.008","90","","2579","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl2 N4 O14 Zn -","- C14 H18 Cl2.003 N4 O14 Zn -","- C56 H72 Cl8.012 N16 O56 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0894","0.0778","","","0.2472","0.2639","","","","","","1.074","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209684","17.083","0.012","22.908","0.016","23.481","0.015","90","","90","","90","","9189","11","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H22 N6 O2 S2 Zn -","- C16 H18 N6 O2 S2 Zn -","- C256 H288 N96 O32 S32 Zn16 -","16","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0938","0.0747","","","0.2358","0.2599","","","","","","1.085","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209685","14.429","0.004","19.03","0.005","24.58","0.007","90","","90","","90","","6749","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H21 Cl2 N4 O1.5 Zn -","- C14 H18 Cl2 N4 O1.5 Zn -","- C224 H288 Cl32 N64 O24 Zn16 -","16","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0357","0.0326","","","0.0751","0.0766","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209686","9.654","0.003","12.336","0.003","13.268","0.004","62.445","0.013","77.26","0.017","68.993","0.016","1304.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0855","0.0601","","","0.1683","0.1914","","","","","","1.102","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209687","9.377","0.003","11.834","0.004","12.956","0.004","64.086","0.01","79.02","0.014","71.274","0.012","1222.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0656","0.0534","","","0.1591","0.1707","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209688","14.1484","0.0005","14.2777","0.0005","21.0378","0.0007","106.575","0.003","95.223","0.003","100.968","0.003","3950.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 N2 O36 P S4 Y -","- C66 H106 N2 O36 P S4 Y -","- C132 H212 N4 O72 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.2079","0.1557","","","0.3324","0.3666","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209689","14.1613","0.0004","14.2691","0.0003","21.0932","0.0006","106.609","0.002","95.188","0.002","101.065","0.002","3960.4","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 Gd N2 O36 P S4 -","- C66 H106 Gd N2 O36 P S4 -","- C132 H212 Gd2 N4 O72 P2 S8 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.198","0.1553","","","0.3256","0.3542","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209690","14.0694","0.0004","14.3067","0.0005","20.9333","0.0007","105.88","0.003","95.132","0.002","101.529","0.002","3924.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H100 N2 O33 P S4 Y -","- C67 H98 N2 O33 P S4 Y -","- C134 H196 N4 O66 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","1.54178","CuKα","","0.1768","0.151","","","0.3304","0.3466","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209691","14.685","0.0005","14.7838","0.0005","21.1776","0.0006","107.952","0.003","100.973","0.002","105.689","0.003","4018.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H105 N O34 P S4 Y -","- C69 H105 N O34 P S4 Y -","- C138 H210 N2 O68 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.1204","0.0866","","","0.1684","0.187","","","","","","1.003","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209692","9.0811","0.0006","9.5438","0.0005","12.3439","0.0009","78.643","0.004","71.021","0.003","67.775","0.004","933.16","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O9 S U -","- C18 H12 N2 O9 S U -","- C36 H24 N4 O18 S2 U2 -","2","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0378","0.0298","","","0.0671","0.0692","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209693","9.8594","0.0005","11.6695","0.0007","14.334","0.0007","70.785","0.003","77.639","0.003","71.479","0.002","1465.57","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","1","0.5","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0395","0.0302","","","0.0641","0.0661","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209694","9.2111","0.0008","13.1733","0.0006","16.0964","0.0013","84.739","0.004","83.029","0.004","87.457","0.005","1929.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 N O9 S U -","- C14 H19 N O9 S U -","- C56 H76 N4 O36 S4 U4 -","4","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0861","0.049","","","0.1233","0.1353","","","","","","1.04","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209695","11.5202","0.0006","14.4501","0.001","22.0213","0.001","90","","100.47","0.003","90","","3604.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N2 O11.5 S U -","- C12 H8 N2 O11.5 S U -","- C96 H64 N16 O92 S8 U8 -","8","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0704","0.042","","","0.0913","0.0989","","","","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209696","11.4801","0.0005","21.0566","0.0014","14.7227","0.001","90","","110.471","0.004","90","","3334.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O24 S2 U2 -","- C22 H30 N2 O24 S2 U2 -","- C88 H120 N8 O96 S8 U8 -","4","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.069","0.0448","","","0.108","0.117","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209697","18.3342","0.0006","7.6172","0.0002","16.7658","0.0007","90","","90","","90","","2341.43","0.14","116","1","116","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H7 Cd0.5 I N7 -","- C9 H7 Cd0.5 I N7 -","- C72 H56 Cd4 I8 N56 -","8","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0545","0.0323","","","0.0611","0.0714","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209698","20.0843","0.0005","20.0843","0.0005","20.2408","0.0007","90","","90","","120","","7070.9","0.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C10.8 H8.4 B Cd0.6 F5.2 N8.4 O3.6 P0.2 -","- C10.8 H8.4 B0.996 Cd0.6 F5.184 N8.4 O3.6 P0.2 -","- C162 H126 B14.94 Cd9 F77.76 N126 O54 P3 -","15","0.833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1105","0.0814","","","0.188","0.2076","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209699","16.549","0.012","6.323","0.005","15.523","0.011","90","","109.066","0.01","90","","1535","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cd I2 N6 -","- C10 H8 Cd I2 N6 -","- C40 H32 Cd4 I8 N24 -","4","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0277","0.0236","","","0.0566","0.0596","","","","","","0.883","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209700","5.5829","0.0013","7.2843","0.0017","9.482","0.002","93.241","0.003","102.883","0.003","94.796","0.003","373.46","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0251","0.0244","","","0.0671","0.0676","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209701","7.4903","0.0012","12.354","0.002","16.282","0.003","101.81","0.003","97.598","0.002","91.796","0.003","1459.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0805","0.0714","","","0.1852","0.1961","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209702","16.247","0.004","16.247","0.004","8.146","0.004","90","","90","","120","","1862.2","1.1","150","2","150","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 Cd Cl2 N18 O8 -","- C30 H24 Cd Cl2 N18 O8 -","- C60 H48 Cd2 Cl4 N36 O16 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0936","0.0792","","","0.2685","0.2888","","","","","","1.018","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209703","7.5567","0.0017","12.29","0.003","16.329","0.004","101.322","0.003","97.13","0.003","92.066","0.003","1472.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cd F6 N12 O6 Si -","- C20 H16 Cd F6 N12 O6 Si -","- C40 H32 Cd2 F12 N24 O12 Si2 -","2","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1343","0.0736","","","0.1722","0.2047","","","","","","1.046","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209704","16.21","0.004","16.21","0.004","8.07","0.004","90","","90","","120","","1836.4","1.1","173","2","173","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 B2 Cd F8 N18 -","- C30 H24 B2 Cd F8 N18 -","- C60 H48 B4 Cd2 F16 N36 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1273","0.0897","","","0.2631","0.3056","","","","","","1.099","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209705","40.9855","0.0003","40.9855","0.0003","40.9855","0.0003","90","","90","","90","","68847.9","0.9","213","2","213","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","Zn5((Tp)Fe(CN)3)6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","Zn5[(Tp)Fe(CN)3]6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","","- C90 H106 B6 Fe6 N58.75 O7.38 Zn5 -","- C90.003 H74.1 B6 Fe6 N58.734 O7.304 Zn5 -","- C1440.05 H1185.6 B96 Fe96 N939.744 O116.864 Zn80 -","16","0.333333","","Li, Yong-Hua; Min, Yong-Gang; Wang, Shi; Zuo, Jing-Lin; Wang, Lian-Hui; Huang, Wei","An unusual (3,4)-connected cubic-C3N4 type network constructed with [FeIII(Tp)(CN)3]− (Tp− = hydrotris(pyrazolyl)borate)","CrystEngComm","2013","15","19","3772","","10.1039/c3ce27001g","","","0.71073","MoKα","","0.0658","0.0495","","","0.1289","0.1352","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209706","20.073","0.004","20.073","0.004","15.195","0.006","90","","90","","120","","5302","3","223","2","223","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C36 H87 Cd3 Cl9 N24 O36 -","- C36 H36 Cd3 Cl9 N24 O24 -","- C108 H108 Cd9 Cl27 N72 O72 -","3","0.0833333","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0877","0.0756","","","0.2116","0.2214","","","","","","1.065","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209707","12.6","0.03","12.647","0.014","12.733","0.013","106.08","0.03","105.57","0.05","104.49","0.05","1759","5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H90 Cd3 Cl6 N24 O39 -","- C36 H36 Cd3 Cl6 N24 O30 -","- C36 H36 Cd3 Cl6 N24 O30 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.1668","0.1062","","","0.315","0.3672","","","","","","1.429","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209708","23.6197","0.0015","10.723","0.0006","29.6064","0.0017","90","","112.713","0.003","90","","6917","0.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H75 Cd2 Cl8 N24 Na3 O31 -","- C36 H36 Cd2 Cl8 N24 Na3 O18 -","- C144 H144 Cd8 Cl32 N96 Na12 O72 -","4","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0641","0.0525","","","0.1556","0.1676","","","","","","1.068","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209709","11.018","0.0005","12.4823","0.001","12.741","0.0006","107.495","0.002","108.015","0.001","97.391","0.002","1541.11","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H70 Cd2 Cl4 N24 O29 -","- C36 H36 Cd2 Cl4 N24 O16 -","- C36 H36 Cd2 Cl4 N24 O16 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0389","0.0357","","","0.1045","0.1087","","","","","","1.089","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209710","14.3175","0.0003","14.402","0.0003","22.6162","0.0004","90","","100.498","0.001","90","","4585.42","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0869","0.0541","","","0.138","0.1481","","","","","","0.886","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209711","22.8595","0.0006","18.742","0.0006","29.669","0.001","90","","104.858","0.001","90","","12286.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","1","0.25","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0608","0.0439","","","0.1175","0.1222","","","","","","0.911","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209712","16.8167","0.0003","14.2636","0.0003","12.007","0.0003","90","","118.469","0.0009","90","","2531.82","0.1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0733","0.0502","","","0.1387","0.1511","","","","","","0.982","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209713","16.8383","0.0005","14.7317","0.0004","11.9247","0.0004","90","","117.379","0.0012","90","","2626.65","0.14","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mn2 O14 -","- C17 H18 Mn2 O14 -","- C68 H72 Mn8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0747","0.0529","","","0.1448","0.1551","","","","","","1.003","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209714","27.6223","0.0007","10.1486","0.0002","16.6182","0.0005","90","","94.794","0.001","90","","4642.2","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Cd3 N3 O17 -","- C34 H25 Cd3 N3 O17 -","- C136 H100 Cd12 N12 O68 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0318","0.0256","","","0.0665","0.0699","","","","","","1.053","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209715","11.6416","0.0007","14.9517","0.0009","16.6108","0.0011","90","","93.893","0.003","90","","2884.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu3 N4 O18 -","- C38 H38 Cu3 N4 O18 -","- C76 H76 Cu6 N8 O36 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.059","0.0516","","","0.1712","0.1752","","","","","","1.355","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209716","12.5175","0.0002","17.86","0.0003","12.3435","0.0002","90","","112.601","0.0006","90","","2547.62","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Co3 N4 O30 -","- C38 H62 Co3 N4 O30 -","- C76 H124 Co6 N8 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0739","0.048","","","0.1263","0.1434","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209717","12.663","0.0014","18.189","0.002","12.5528","0.0014","90","","113.388","0.005","90","","2653.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Mn3 N2 O24 -","- C32 H32 Mn3 N2 O24 -","- C64 H64 Mn6 N4 O48 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71069","MoKα","","0.0539","0.0477","","","0.1593","0.1674","","","","","","0.978","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209718","12.4428","0.0004","17.7483","0.0006","12.2315","0.0003","90","","112.51","0.001","90","","2495.39","0.13","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 N4 Ni3 O30 -","- C38 H62 N4 Ni3 O30 -","- C76 H124 N8 Ni6 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0972","0.0521","","","0.1297","0.1462","","","","","","0.916","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209719","13.7904","0.0006","13.029","0.0005","16.7784","0.0007","90","","110.786","0.001","90","","2818.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34 H33 N O7 -","- C136 H132 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0815","0.0631","","","0.1745","0.1909","","","","","","1.067","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209720","10.866","0.0012","24.737","0.003","11.8896","0.0013","90","","96.584","0.001","90","","3174.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-lutidinium pamoate dihydrate","","","- C37 H37.36 N2 O7.68 -","- C37 H37.354 N2 O7.677 -","- C148 H149.416 N8 O30.708 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0496","0.0399","","","0.1004","0.1074","","","","","","1.062","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209721","22.064","0.003","19.904","0.002","14.513","0.0017","90","","115.221","0.002","90","","5766","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H26 N O7.5 -","- C264 H208 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0862","0.0551","","","0.1295","0.1509","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209722","22.221","0.003","19.525","0.003","14.438","0.002","90","","115.645","0.002","90","","5647.1","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H30 N O7.5 -","- C264 H240 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0829","0.0493","","","0.1142","0.1347","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209723","13.445","0.0013","14","0.0013","13.8229","0.0013","90","","114.612","0.001","90","","2365.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate","","","- C30 H25 N O6 -","- C30 H25 N O6 -","- C120 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0504","0.0386","","","0.0939","0.1018","","","","","","1.045","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209724","13.7002","0.001","13.2762","0.001","16.7596","0.0012","90","","112.418","0.001","90","","2818","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate NMP solvate","","","- C34 H32 N2 O7 -","- C34 H32 N2 O7 -","- C136 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0892","0.0517","","","0.1222","0.144","","","","","","1.033","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209725","7.3335","0.0006","5.8827","0.0004","12.8465","0.0009","90","","99.79","0.007","90","","546.14","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0508","0.0337","","","0.0585","0.0606","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209726","7.5402","0.0002","7.5402","0.0002","22.7232","0.0001","90","","90","","90","","1291.92","0.05","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.037","0.0356","","","0.0832","0.0845","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209727","7.5385","0.00001","7.5385","0.00001","22.7308","0.0001","90","","90","","90","","1291.77","0.006","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.033","0.0298","","","0.0632","0.0649","","","","","","1.004","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209728","5.8266","0.0002","17.2093","0.0007","23.5764","0.0001","90","","90","","90","","2364.05","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cd N2 O11 -","- C22 H30 Cd N2 O11 -","- C88 H120 Cd4 N8 O44 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0593","0.0378","","","0.0763","0.084","","","","","","1.001","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209729","21.79","0.001","21.79","0.001","6.9741","0.0005","90","","90","","90","","3311.3","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Zn(tzeg)]n","[Zn(tzeg)]n","","- C5 H7 N5 O2 Zn -","- C5 H7 N5 O2 Zn -","- C80 H112 N80 O32 Zn16 -","16","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0324","0.0297","","","0.0742","0.0758","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209730","18.904","0.005","7.5712","0.0015","14.406","0.004","90","","120.575","0.019","90","","1775.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cd(tzeg)(H2O)]n","","","- C5 H9 Cd N5 O3 -","- C5 H9 Cd N5 O3 -","- C40 H72 Cd8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0313","0.026","","","0.0643","0.0675","","","","","","1.009","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209731","18.672","0.009","7.359","0.003","14.81","0.007","90","","125.297","0.005","90","","1660.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(tzeg)(H2O)]n","[Cu(tzeg)(H2O)]n","","- C5 H9 Cu N5 O3 -","- C5 H9 Cu N5 O3 -","- C40 H72 Cu8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0346","0.0279","","","0.0686","0.0728","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209732","11.5417","0.001","19.8125","0.0017","15.9144","0.0014","90","","99.277","0.002","90","","3591.5","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N7 O3 Zn -","- C36 H29 N7 O3 Zn -","- C144 H116 N28 O12 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0648","0.0475","","","0.1288","0.1496","","","","","","1.126","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209733","10.3255","0.0006","17.0424","0.0008","19.2023","0.001","90","","105.25","0.001","90","","3260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.52 H29.08 N7 O4.52 Zn -","- C35.52 H29.08 N7 O4.52 Zn -","- C142.08 H116.32 N28 O18.08 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1059","0.0764","","","0.1987","0.2235","","","","","","1.056","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209734","10.0345","0.0002","17.8774","0.0005","18.5558","0.0004","90","","91.106","0.001","90","","3328.12","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N7 O5 Zn -","- C37 H33 N7 O5 Zn -","- C148 H132 N28 O20 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0841","0.0442","","","0.1005","0.1436","","","","","","1.171","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209735","22.1947","0.0006","12.6975","0.0003","28.1501","0.0006","90","","112.104","0.001","90","","7350.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 N16 O9 Zn3 -","- C80 H61 N16 O9 Zn3 -","- C320 H244 N64 O36 Zn12 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1035","0.0576","","","0.1408","0.1787","","","","","","1.091","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209736","7.0862","0.0005","9.8582","0.0007","12.1267","0.0008","71.132","0.004","83.785","0.004","86.867","0.004","796.73","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H3 Bi3 Cu N4 O11 -","- C10 H3 Bi3 Cu N4 O11 -","- C20 H6 Bi6 Cu2 N8 O22 -","2","1","","SHI, Fa-Nian; Silva, Ana Rosa; Yang, Ting-Hai; Rocha, João","Mixed Cu(ii)‒Bi(iii) metal organic framework with a 2D inorganic subnetwork and its catalytic activity","CrystEngComm","2013","15","19","3776","","10.1039/c3ce27056d","","","0.71073","MoKα","","0.0604","0.0414","","","0.0887","0.0955","","","","","","1.044","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209737","11.8179","0.001","11.8179","0.001","37.714","0.005","90","","90","","90","","5267.2","0.9","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H25 Co N4 O11 -","- C20 H13 Co N4 O11 -","- C160 H104 Co8 N32 O88 -","8","0.5","","Liu, Yong-Liang; Yue, Ke-Fen; Li, Dong-Sheng; Yu, Yang; Hou, Lei; Wang, Yao-Yu","The first one-fold inclined 1D →3D polycatenation assembly from unique interweaving triple-stranded helices","CrystEngComm","2013","15","15","2791","","10.1039/c3ce27061k","","","0.71073","MoKα","","0.1195","0.0659","","","0.1745","0.2097","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209738","19.362","0.0003","19.362","0.0003","19.362","0.0003","90","","90","","90","","7258.56","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.25 Cl0.06 N2 O0.25 -","- C1.5 H0.5 Cd0.25 Cl0.0625 N2 O0.25 -","- C72 H24 Cd12 Cl3 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0295","0.0268","","","0.0701","0.0718","","","","","","1.131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209739","19.2945","0.0002","19.2945","0.0002","19.2945","0.0002","90","","90","","90","","7182.91","0.13","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.29 Cl0.13 N2 -","- C1.5 H0.5 Cd0.29 Cl0.125 N2 -","- C72 H24 Cd13.92 Cl6 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0606","0.0558","","","0.164","0.1698","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209740","18.7976","0.0003","18.7976","0.0003","18.7976","0.0003","90","","90","","90","","6642.13","0.18","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.06 Co0.29 N2 O0.25 -","- C1.5 H0.5 Cl0.0625 Co0.28 N2 O0.25 -","- C72 H24 Cl3 Co13.44 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0702","0.0653","","","0.1889","0.1939","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209741","18.5015","0.0003","18.5015","0.0003","18.5015","0.0003","90","","90","","90","","6333.17","0.18","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.19 Co0.31 N2 -","- C1.5 H0.5 Cl0.1875 Co0.315 N2 -","- C72 H24 Cl9 Co15.12 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0942","0.0873","","","0.2512","0.2583","","","","","","1.221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209742","18.6483","0.0003","18.6483","0.0003","18.6483","0.0003","90","","90","","90","","6485.12","0.18","294","2","294","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.13 N2 Ni0.31 O0.25 -","- C1.5 H0.5 Cl0.1275 N2 Ni0.315 O0.25 -","- C72 H24 Cl6.12 N96 Ni15.12 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0723","0.0675","","","0.2012","0.2056","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209743","18.5564","0.0003","18.5564","0.0003","18.5564","0.0003","90","","90","","90","","6389.71","0.18","423","2","423","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.1 N2 Ni0.42 O0.38 -","- C1.5 H0.5 Cl0.1125 N2 Ni0.415 O0.375 -","- C72 H24 Cl5.4 N96 Ni19.92 O18 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0801","0.0525","","","0.1491","0.1866","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209744","12.1273","0.0011","13.8348","0.0014","20.0191","0.0018","73.539","0.006","73.108","0.006","70.312","0.006","2961.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1773","0.069","","","0.1617","0.2169","","","","","","1.015","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209745","15.0704","0.0004","19.5784","0.0005","20.9873","0.0006","70.3","0.001","80.675","0.001","87.877","0.001","5751.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Co2 Mn2 N20 O10 -","- C134 H104 Co2 Mn2 N20 O10 -","- C268 H208 Co4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0624","0.0459","","","0.1418","0.1577","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209746","15.0924","0.0007","19.7862","0.0009","21.0071","0.0011","70.461","0.003","81.22","0.003","88.865","0.003","5839.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C268 H208 Cr4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0635","0.0447","","","0.1311","0.1615","","","","","","1.028","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209747","12.0132","0.0018","13.8829","0.0019","19.838","0.003","72.979","0.002","73.582","0.002","70.255","0.002","2914.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1117","0.0722","","","0.2041","0.2383","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209748","15.9553","0.0014","17.9118","0.0016","24.897","0.002","90","","99.081","0.005","90","","7026.1","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 Cl4 Co Mn N10 O6 -","- C68 H52 Cl4 Co Mn N10 O6 -","- C272 H208 Cl16 Co4 Mn4 N40 O24 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0791","0.0581","","","0.1727","0.1878","","","","","","1.055","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209749","16.102","0.004","18.12","0.004","24.444","0.005","90","","99.438","0.004","90","","7035","3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H44 Cl4 Cr Mn N10 O5 -","- C65 H44 Cl4 Cr Mn N10 O5 -","- C260 H176 Cl16 Cr4 Mn4 N40 O20 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1894","0.0759","","","0.172","0.226","","","","","","1.005","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209750","8.974","0.0018","9.951","0.002","29.751","0.006","90","","90.34","0.03","90","","2656.7","0.9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone-phenol co-crystal","","- C34 H28 N2 O3 -","- C34 H28 N2 O3 -","- C136 H112 N8 O12 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1614","0.0788","","","0.1346","0.1651","","","","","","1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209751","8.7264","0.0017","13.335","0.003","19.06","0.004","84.69","0.03","86.33","0.03","75.72","0.03","2138.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1317","0.0667","","","0.1656","0.1947","","","","","","1.034","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209752","10.133","0.002","8.776","0.0018","16.458","0.003","90","","92.6","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol- 1-yl)ethanone-2-naphthol co-crystal","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1318","0.0651","","","0.1142","0.1343","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209753","5.6999","0.0002","6.5428","0.0003","23.1874","0.001","90","","94.835","0.004","90","","861.66","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - S-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0411","0.0389","","","0.1136","0.1168","","","","","","1.097","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209754","5.7713","0.0002","6.252","0.0003","23.8346","0.0011","90","","92.047","0.004","90","","859.46","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - R-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0658","0.0642","","","0.1795","0.1811","","","","","","1.064","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209755","6.1054","0.0002","12.475","0.0005","49.1664","0.0013","90","","90","","90","","3744.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C152 H200 N8 O48 -","8","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0717","0.0524","","","0.1415","0.1566","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209756","13.122","0.002","5.898","0.001","24.075","0.003","90","","95.56","0.005","90","","1854.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","0.71073","MoKα","","0.05","0.0421","","","0.1052","0.1124","","","","","","0.832","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209757","12.1297","0.0004","13.0897","0.0004","14.3302","0.0006","91.39","0.003","98.373","0.003","90.423","0.002","2250.21","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H73.6 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0488","0.0374","","","0.0889","0.0955","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209758","12.138","0.0007","13.146","0.0007","14.321","0.0008","91.158","0.005","98.911","0.005","90.567","0.004","2256.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0856","0.0567","","","0.1438","0.1627","","","","","","1.043","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209759","10.6682","0.0006","13.4763","0.0007","15.2036","0.0005","94.98","0.004","105.397","0.004","110.916","0.005","1928.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0686","0.0462","","","0.0996","0.1102","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209760","10.927","0.0008","13.416","0.0007","14.968","0.001","90.755","0.005","109.04","0.006","103.885","0.005","2003.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N18 O17 Zn2 -","- C76 H44 N18 O18 Zn2 -","- C76 H44 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1462","0.0883","","","0.1751","0.1981","","","","","","1.074","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209761","10.312","0.0011","15.257","0.0013","15.919","0.0018","61.382","0.01","73.331","0.009","74.962","0.008","2083.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.1219","0.0751","","","0.1718","0.199","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209762","10.44","0.0005","14.925","0.0009","15.176","0.0006","65.274","0.005","75.741","0.004","71.068","0.005","2014.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1248","0.0707","","","0.161","0.1933","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209763","25.601","0.0013","23.058","0.0008","17.317","0.0009","90","","116.446","0.007","90","","9152.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Cd4 N18 O30 -","- C76 H58 Cd4 N18 O30 -","- C304 H232 Cd16 N72 O120 -","4","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0742","0.0513","","","0.1439","0.1631","","","","","","1.047","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209764","8.503","0.013","11.983","0.017","15.39","0.02","90","","90.509","0.018","90","","1568","4","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C12 H48 Bi4 Cl12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0643","0.0496","","","0.1012","0.109","","","","","","1.071","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209765","13.593","0.0011","13.593","0.0011","7.1406","0.0011","90","","90","","120","","1142.6","0.2","299","2","299","2","","","","","","","","6","P 3","P 3","143","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C9 H36 Bi3 Cl9 N18 S9 -","3","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0672","0.0481","","","0.0703","0.0765","","","","","","1.111","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209766","16.091","0.012","8.987","0.006","24.71","0.013","90","","128.62","0.03","90","","2792","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co N4 Ni O10 -","- C28 H25 Co N4 Ni O10 -","- C112 H100 Co4 N16 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.0666","0.0517","","","0.1686","0.1763","","","","","","1.04","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209767","15.674","0.003","8.6916","0.0017","19.06","0.004","90","","91.3","0.03","90","","2595.9","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu N4 Ni O12 -","- C24 H24 Cu N4 Ni O12 -","- C96 H96 Cu4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.04","0.0333","","","0.0907","0.0945","","","","","","1.1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209768","15.9","0.02","8.875","0.011","24.97","0.02","90","","128.93","0.05","90","","2741","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N4 Ni O12 -","- C24 H16 Mn N4 Ni O12 -","- C96 H64 Mn4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.1275","0.0894","","","0.2367","0.294","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209769","15.86","0.005","14.713","0.005","7.995","0.003","104.946","0.003","82.339","0.001","68.821","0.003","1626.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C43 H41 Cu2 I8 N9 O2 Pb2 -","2","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0417","0.0368","","","0.0941","0.0954","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209770","17.943","0.006","19.378","0.006","7.853","0.002","90","","95.009","0.005","90","","2720.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu I4 N4 Pb -","- C20 H16 Cu I4 N4 Pb -","- C80 H64 Cu4 I16 N16 Pb4 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0439","0.0309","","","0.0601","0.0631","","","","","","0.959","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209771","17.604","0.006","14.926","0.005","16.292","0.006","90","","105.311","0.005","90","","4129","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu I6 N6 Pb2 -","- C30 H24 Cu I6 N6 Pb2 -","- C120 H96 Cu4 I24 N24 Pb8 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0735","0.0526","","","0.1392","0.1565","","","","","","1.011","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209772","13.5031","0.0006","11.2985","0.0005","25.4543","0.0012","90","","98.694","0.004","90","","3838.8","0.3","100","2","100","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1 21/n 1","-P 2yn","14","n-butylammoniun salt of tolbutamide","","","- C16 H29 N3 O3 S -","- C16 H29 N3 O3 S -","- C128 H232 N24 O24 S8 -","8","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.1041","0.0677","","","0.1339","0.1506","","","","","","1.041","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209773","5.1562","0.0002","8.325","0.0004","9.8583","0.0007","100.801","0.005","102.284","0.004","90.371","0.003","405.68","0.04","295","2","295","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1","P 1","1","p-toluenesulfonamide","","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C14 H18 N2 O4 S2 -","2","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.0539","0.0421","","","0.0893","0.0972","","","","","","1.027","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209774","17.795","0.0014","7.3167","0.0006","11.3957","0.0009","90","","97.479","0.001","90","","1471.1","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0447","0.0387","","","0.1067","0.1104","","","","","","1.066","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209775","17.857","0.01","7.324","0.004","11.409","0.006","90","","97.668","0.009","90","","1478.8","1.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0618","0.0527","","","0.1512","0.1585","","","","","","1.051","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209776","23.6899","0.0004","23.6899","0.0004","30.8058","0.0007","90","","90","","120","","14972.3","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.5 H69.5 N4.5 O24.5 Zn4 -","- C48 H37.98 O20 Zn4 -","- C288 H227.88 O120 Zn24 -","6","0.333333","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0561","0.0465","","","0.135","0.14","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209777","22.3139","0.0002","22.3139","0.0002","43.2016","0.0008","90","","90","","90","","21510.5","0.5","130","2","130","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C200 H240 Cd7 Cl2 N16 O68 -","- C200 H240 Cd7 Cl2 N16 O68 -","- C800 H960 Cd28 Cl8 N64 O272 -","4","0.25","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.1195","0.0526","","","0.1176","0.1295","","","","","","0.817","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209778","29.5046","0.0005","14.3407","0.0002","18.4708","0.0003","90","","90","","90","","7815.3","0.2","130","2","130","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H60 O28 Pb6 -","- C68 H60 O28 Pb6 -","- C272 H240 O112 Pb24 -","4","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0673","0.03","","","0.0591","0.0624","","","","","","0.847","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209779","15.1458","0.0006","20.2514","0.0009","8.6838","0.0004","90","","90","","90","","2663.5","0.2","130","2","130","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0429","0.0376","","","0.1039","0.1061","","","","","","1.039","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209780","32.547","0.001","17.5335","0.0006","13.7923","0.0006","90","","90","","90","","7870.8","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H86 Ce2 N12 O34 -","- C66 H78 Ce2 N12 O30 -","- C264 H312 Ce8 N48 O120 -","4","0.5","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1123","0.056","","","0.0885","0.1057","","","","","","0.966","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209781","15.9742","0.0003","15.9742","0.0003","19.4383","0.0006","90","","90","","120","","4295.63","0.17","293","2","293","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H58 Ce F6 N8 O14 P -","- C48 H58 Ce F6 N8 O14 P -","- C144 H174 Ce3 F18 N24 O42 P3 -","3","0.25","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0614","0.0453","","","0.121","0.1314","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209782","29.134","0.006","14.254","0.003","14.244","0.003","90","","104.1","0.03","90","","5737","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 Ce N5 O14 -","- C23 H30 Ce N5 O14 -","- C184 H240 Ce8 N40 O112 -","8","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1183","0.0838","","","0.2104","0.2347","","","","","","1.053","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209783","17.751","0.004","10.493","0.002","22.403","0.004","90","","104.44","0.03","90","","4041","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Ce N4 O8 -","- C44 H48 Ce N4 O8 -","- C176 H192 Ce4 N16 O32 -","4","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0967","0.0615","","","0.1154","0.1317","","","","","","1.069","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209784","14.56","0.003","15.267","0.003","16.804","0.003","70.46","0.03","72.52","0.03","64.76","0.03","3129.1","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H62 Ce Cl2 F18 N4 O11 P3 -","- C46 H58 Ce Cl2 F18 N4 O11 P3 -","- C92 H116 Ce2 Cl4 F36 N8 O22 P6 -","2","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1062","0.0727","","","0.1905","0.216","","","","","","1.021","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209785","19.663","0.0003","19.663","0.0003","19.663","0.0003","90","","90","","90","","7602.4","0.2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H96 Cu6 Mo12 N72 O43 -","- C96 H96 Cu6 Mo12 N72 O43 -","- C192 H192 Cu12 Mo24 N144 O86 -","2","0.0416667","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.1236","0.1125","","","0.1915","0.1967","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209786","26.7741","0.0007","10.0535","0.0003","22.0865","0.0007","90","","97.275","0.003","90","","5897.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Mo10 N18 O42 Zn3 -","- C24 H26 Mo10 N18 O42 Zn3 -","- C96 H104 Mo40 N72 O168 Zn12 -","4","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.0368","0.0307","","","0.0676","0.0711","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209787","10.575","0.0005","10.894","0.0005","13.87","0.0007","87.233","0.004","72.403","0.004","66.408","0.004","1390.96","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0508","0.0356","","","0.0819","0.0895","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209788","10.549","0.0007","10.842","0.0007","13.8","0.0009","87.135","0.006","72.428","0.006","66.412","0.007","1374.43","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0572","0.0379","","","0.0823","0.0908","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209789","12.113","0.0018","12.226","0.0015","12.289","0.0016","102.178","0.011","100.545","0.012","119.663","0.014","1454.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.1432","0.069","","","0.123","0.1567","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209790","20.9095","0.0016","19.3423","0.0008","11.6313","0.0008","90","","119.1","0.01","90","","4110.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Ag3 F6 O5 -","- C19 H11 Ag3 F6 O5 -","- C152 H88 Ag24 F48 O40 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0619","0.0484","","","0.1214","0.1298","","","","","","1.086","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209791","11.746","0.002","12.454","0.003","14.005","0.003","76.38","0.03","74.67","0.03","87.77","0.03","1919.7","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H16 Ag6 F15 N O12 -","- C27 H16 Ag6 F15 N O12 -","- C54 H32 Ag12 F30 N2 O24 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0594","0.0524","","","0.118","0.1226","","","","","","1.03","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209792","7.6485","0.0002","11.1943","0.0003","30.1822","0.0007","94.781","0.002","92.459","0.002","90.367","0.002","2572.7","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Ag6 N2 O10 -","- C60 H44 Ag6 N2 O10 -","- C120 H88 Ag12 N4 O20 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0709","0.0542","","","0.1253","0.1351","","","","","","1.024","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209793","9.0069","0.0018","23.389","0.005","16.537","0.005","90","","118.56","0.02","90","","3059.8","1.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Ag5 F12 O10 -","- C23 H11 Ag5 F12 O10 -","- C92 H44 Ag20 F48 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0854","0.0727","","","0.1752","0.1855","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209794","32.536","0.006","11.67","0.002","26.226","0.005","90","","127.6","0.03","90","","7890","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Ag5 F9 O10 -","- C36 H22 Ag5 F9 O10 -","- C288 H176 Ag40 F72 O80 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.1495","0.1255","","","0.4347","0.4614","","","","","","1.082","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209795","13.8833","0.0014","24.923","0.003","13.0817","0.0013","90","","114.308","0.002","90","","4125.2","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H54 Ag8 F18 N8 O14 -","- C82 H54 Ag8 F18 N8 O14 -","- C164 H108 Ag16 F36 N16 O28 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0345","0.027","","","0.0645","0.0671","","","","","","1.003","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209796","4.128","0.0004","29.664","0.003","8.02","0.0007","90","","101.296","0.009","90","","963.05","0.16","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 S -","- C4 H4 N2 S -","- C32 H32 N16 S8 -","8","2","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0686","0.0658","","","0.2012","0.2028","","","","","","1.147","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209797","8.0166","0.001","12.9113","0.0009","6.5423","0.0006","90","","90","","90","","677.16","0.11","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H5 Cl N2 S -","- C4 H5 Cl N2 S -","- C16 H20 Cl4 N8 S4 -","4","0.25","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.71073","MoKα","","0.0377","0.0318","","","0.0848","0.0867","","","","","","1.138","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209798","14.0264","0.0006","4.6351","0.0002","10.5403","0.0005","90","","90","","90","","685.26","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C16 H20 Br4 N8 S4 -","4","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0346","0.0341","","","0.0969","0.0975","","","","","","1.115","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209799","11.5502","0.0003","8.6872","0.0004","13.6237","0.0006","90","","90","","90","","1366.99","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C32 H40 Br8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0244","0.0235","","","0.0632","0.0641","","","","","","1.069","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209800","11.812","0.005","9.152","0.005","13.478","0.005","90","","90","","90","","1457","1.1","100","2","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 I N2 S -","- C4 H5 I N2 S -","- C32 H40 I8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.7107","MoKα","","0.0789","0.0439","","","0.0743","0.0841","","","","","","1.064","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209801","34.1862","0.0007","20.4477","0.0003","34.3172","0.001","90","","108.802","0.002","90","","22708.6","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C127.5 H128 As4 O4 V8 -","- C127.49 H127.98 As4 O4 V8 -","- C1019.92 H1023.84 As32 O32 V64 -","8","1","","Elschenbroich, Christoph; Lu, Feng; Harms, Klaus; Pietzonka, Clemens","Intermolecular hydrogen bonds directed tetramer and intramolecular electronic communication: paramagnetic di([5]trovacenyl)arsinous acid","CrystEngComm","2013","15","18","3525","","10.1039/c3ce40246k","","","0.71073","MoKα","","0.085","0.0442","","","0.0962","0.1076","","","","","","0.901","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209802","18.3107","0.0004","16.6058","0.0004","11.7604","0.0003","90","","99.501","0.002","90","","3526.86","0.15","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Br2 Cu N4 O6 Si2 -","- C28 H48 Br2 Cu N4 O6 Si2 -","- C112 H192 Br8 Cu4 N16 O24 Si8 -","4","0.5","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.1027","0.0859","","","0.2753","0.2887","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209803","12.1935","0.0002","20.2551","0.0003","15.1134","0.0002","90","","97.944","0.001","90","","3696.9","0.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C112 H160 Br8 Cu4 N16 O8 S8 Si8 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.076","0.0457","","","0.0976","0.1033","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209804","11.9663","0.0001","11.9663","0.0001","16.2923","0.0003","90","","90","","90","","2332.93","0.05","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.051","0.0374","","","0.0709","0.076","","","","","","0.929","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209805","11.9456","0.0001","11.9456","0.0001","16.2905","0.0004","90","","90","","90","","2324.61","0.06","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.0736","0.0585","","","0.1426","0.1613","","","","","","0.999","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209806","8.0406","0.0012","22.942","0.003","11.6153","0.0015","90","","108.4","0.012","90","","2033.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F8 I2 N4 O -","- C16 H8 F8 I2 N4 O -","- C64 H32 F32 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.034","0.0242","","","0.0532","0.0573","","","","","","1.034","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209807","13.1606","0.0012","5.5451","0.0006","31.302","0.003","90","","91.877","0.01","90","","2283.1","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F12 I2 N4 O -","- C18 H8 F12 I2 N4 O -","- C72 H32 F48 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.0375","0.0327","","","0.0821","0.0841","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209808","8.7813","0.0017","15.715","0.003","10.4219","0.0014","90","","97.572","0.013","90","","1425.7","0.4","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0964","0.0631","","","0.1805","0.2154","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209809","9.6447","0.0003","10.2793","0.0004","10.651","0.0003","90","","91.74","0.003","90","","1055.46","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 S2 -","- C8 H7 Cu N3 S2 -","- C32 H28 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0668","0.0488","","","0.1093","0.1228","","","","","","0.947","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209810","10.2175","0.0003","11.0524","0.0004","10.7815","0.0003","90","","94.854","0.003","90","","1213.17","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cu N3 S2 -","- C10 H11 Cu N3 S2 -","- C40 H44 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0515","0.0376","","","0.0849","0.0927","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209811","8.4491","0.0004","14.2366","0.0005","10.4911","0.0004","90","","105.447","0.004","90","","1216.35","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N6 S4 -","- C20 H22 Cu2 N6 S4 -","- C40 H44 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0786","0.0692","","","0.1781","0.1902","","","","","","1.075","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209812","11.659","0.0004","12.0484","0.0003","28.1225","0.0007","90","","90","","90","","3950.43","0.19","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu2 N5 S3 -","- C17 H17 Cu2 N5 S3 -","- C136 H136 Cu16 N40 S24 -","8","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0667","0.0488","","","0.1218","0.1448","","","","","","1.076","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209813","11.0461","0.0015","10.8682","0.0014","11.0982","0.0015","90","","96.472","0.002","90","","1323.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B0 Cu N3 O0 S2 -","- C11 H13 Cu N3 S2 -","- C44 H52 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0474","0.0326","","","0.0742","0.0818","","","","","","1.022","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209814","6.8994","0.0004","3.8566","0.0002","31.2021","0.0019","90","","90.571","0.001","90","","830.19","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0379","0.0345","","","0.09","0.0921","","","","","","1.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209815","6.8823","0.0002","3.9043","0.0001","31.4618","0.0012","90","","90.077","0.003","90","","845.4","0.05","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0413","0.0319","","","0.0634","0.0651","","","","","","1.118","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209816","6.6422","0.0004","3.9472","0.0004","32.9","0.003","90","","95.552","0.007","90","","858.53","0.13","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0661","0.0389","","","0.081","0.0868","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209817","11.318","0.0004","11.3592","0.0004","16.8666","0.0006","98.753","0.003","102.761","0.003","103.029","0.003","2013.34","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20.8 H18 Br2 O4.9 -","- C20.8 H18 Br2 O4.9 -","- C83.2 H72 Br8 O19.6 -","4","2","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1095","0.1198","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209818","8.1051","0.0003","7.1178","0.0003","12.2732","0.0005","90","","103.646","0.004","90","","688.06","0.05","298","2","298","2","","","","","","","Synthetic Product","6","P 1 21 1","P 2yb","4","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bonfilio, Rudy; Rosa, Iara M. L.; Santos, Leandro M.; Santos, Olimpia M. M.; Araújo, Magali B.; Doriguetto, Antônio C.","The form II of the antihypertensive drug chlorthalidone","CrystEngComm","2013","15","19","3767","","10.1039/c3ce40303c","","","0.71073","MoKα","","0.0306","0.028","","","0.063","0.0645","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209819","6.6796","0.0002","7.6493","0.0003","10.2128","0.0005","90","","90","","90","","521.82","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3,5,6-tetrafluoropyridine","","","- C5 H F4 N -","- C5 H F4 N -","- C20 H4 F16 N4 -","4","0.5","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.041","0.0202","","","","0.0221","0.0184","","","","","2.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209820","10.8764","0.0007","10.2849","0.001","11.1336","0.0015","90","","116.979","0.005","90","","1109.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyridine, 2,3,4,5,6-pentafluoro-","","","- C5 F5 N -","- C5 F5 N -","- C40 F40 N8 -","8","2","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.066","0.0295","","","","0.0326","0.024","","","","","2.944","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209821","14.9116","0.0006","21.1567","0.0009","16.8197","0.0006","90","","110.715","0.001","90","","4963.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 Cu N6 O4 P2 -","- C55 H51 Cu N6 O4 P2 -","- C220 H204 Cu4 N24 O16 P8 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0922","0.0671","","","0.2002","0.2188","","","","","","1.088","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209822","11.7362","0.0002","12.7941","0.0003","13.0346","0.0003","79.994","0.001","85.875","0.001","74.651","0.0009","1857.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cu F6 N8 O5 -","- C36 H30 Cu F6 N8 O5 -","- C72 H60 Cu2 F12 N16 O10 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0615","0.0575","","","0.1718","0.1762","","","","","","1.066","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209823","18.311","0.0007","15.5229","0.0006","13.5546","0.0009","90","","128.044","0.001","90","","3034.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl4 Cu2 N8 -","- C30 H24 Cl4 Cu2 N8 -","- C120 H96 Cl16 Cu8 N32 -","4","0.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0541","0.0407","","","0.1065","0.1117","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209824","9.4972","0.0004","18.641","0.0007","21.2437","0.0007","90","","90","","90","","3760.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 Cu N5 O -","- C18 H19 Cl2 Cu N5 O -","- C144 H152 Cl16 Cu8 N40 O8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0315","0.0266","","","0.0688","0.071","","","","","","1.063","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209825","11.113","0.0003","12.054","0.0003","20.2158","0.0005","90","","95.667","0.001","90","","2694.79","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0358","0.0273","","","0.0634","0.0663","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209826","13.0088","0.0007","15.4845","0.0008","14.3809","0.0008","90","","106.056","0.002","90","","2783.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0538","0.0377","","","0.0928","0.1016","","","","","","1.049","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209827","8.3882","0.0015","14.56","0.003","15.502","0.003","71.291","0.004","89.483","0.005","80.025","0.004","1763.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Ag2 F6 N8 O4 -","- C34 H24 Ag2 F5.97 N8 O4 -","- C68 H48 Ag4 F11.94 N16 O8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0718","0.0504","","","0.159","0.1964","","","","","","1.037","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209828","12.1082","0.0003","12.1082","0.0003","24.2726","0.0007","90","","90","","90","","3558.57","0.16","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17 H12 Ag F3 N4 O2 -","- C17 H12 Ag F3 N4 O2 -","- C136 H96 Ag8 F24 N32 O16 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0407","0.0354","","","0.0946","0.0993","","","","","","1.07","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209829","43.4103","0.0009","12.3013","0.0003","19.7415","0.0004","90","","112.011","0.001","90","","9773.6","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Ag N8 O3 S -","- C31 H27 Ag N8 O3 S -","- C372 H324 Ag12 N96 O36 S12 -","12","1.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0989","0.0643","","","0.1459","0.21","","","","","","1.106","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209830","6.8541","0.0004","10.2636","0.0006","12.8115","0.0007","90.296","0.002","100.408","0.001","95.783","0.001","881.67","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Ag N4 O3 S -","- C16 H15 Ag N4 O3 S -","- C32 H30 Ag2 N8 O6 S2 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.03","0.0265","","","0.074","0.0765","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209831","12.0012","0.0008","12.6108","0.0008","21.0839","0.0014","81.438","0.002","85.256","0.002","74.156","0.001","3032.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Ag2 F6 N16 O6 S2 -","- C62 H48 Ag2 F6 N16 O6 S2 -","- C124 H96 Ag4 F12 N32 O12 S4 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.1136","0.0634","","","0.148","0.1759","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209832","11.3429","0.0003","12.3026","0.0004","20.4226","0.0006","90","","95.378","0.001","90","","2837.37","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Cl N8 O4 -","- C30 H24 Ag Cl N8 O4 -","- C120 H96 Ag4 Cl4 N32 O16 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0534","0.0413","","","0.1092","0.1177","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209833","11.323","0.0007","12.173","0.0008","20.4002","0.0013","90","","95.93","0.001","90","","2796.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag B F4 N8 -","- C30 H24 Ag B F4 N8 -","- C120 H96 Ag4 B4 F16 N32 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0376","0.0324","","","0.0842","0.0874","","","","","","1.057","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209834","10.5418","0.0006","10.6453","0.0007","10.6524","0.0006","67.967","0.001","71.49","0.002","78.281","0.002","1045.98","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au2 Cl6 N4 -","- C15 H12 Au2 Cl6 N4 -","- C30 H24 Au4 Cl12 N8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0319","0.0221","","","0.0418","0.0447","","","","","","1","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209835","7.9242","0.0007","15.9274","0.0012","20.1872","0.0016","90","","90","","90","","2547.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Au2 Cl6 N6 -","- C19 H18 Au2 Cl6 N6 -","- C76 H72 Au8 Cl24 N24 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0263","0.0239","","","0.0568","0.0577","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209836","17.198","0.0008","5.0156","0.0002","27.3815","0.0015","90","","97.311","0.002","90","","2342.68","0.19","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indomethacin Nicotinamide (1/1)","2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Pyridine-3-carboxamide (1/1)","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare F.; Williams, Adrian C.; Spillman, Mark J.; Pidcock, Elna; Shankland, Kenneth","Application of hydrogen-bond propensity calculations to an indomethacin‒nicotinamide (1 : 1) co-crystal","CrystEngComm","2013","15","20","4041","","10.1039/c3ce40367j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209837","13.253","0.013","12.775","0.012","43.66","0.04","90","","93.319","0.012","90","","7380","12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H120 N2 O16 -","- C73 H120 N2 O16 -","- C292 H480 N8 O64 -","4","1","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1493","0.0868","","","0.2262","0.2776","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209838","15.554","0.006","17.839","0.007","20.092","0.008","104.263","0.005","92.785","0.005","91.068","0.005","5394","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H73 N O17.63 -","- C51 H73 N O17.6315 -","- C204 H292 N4 O70.526 -","4","2","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1274","0.0769","","","0.207","0.2482","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209843","7.9448","0.0012","11.1929","0.0017","18","0.003","85.128","0.002","81.477","0.002","85.234","0.002","1573.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 Cd2 N4 O16 -","- C23 H34 Cd2 N4 O16 -","- C46 H68 Cd4 N8 O32 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0881","0.0621","","","0.1599","0.1685","","","","","","1.132","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209844","7.9857","0.0008","17.5783","0.0017","16.1584","0.0016","90","","94.614","0.001","90","","2260.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cd N4 O8 -","- C20 H21 Cd N4 O8 -","- C80 H84 Cd4 N16 O32 -","4","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.042","0.0345","","","0.0683","0.0703","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209845","8.506","0.007","10.573","0.009","20.792","0.018","78.711","0.015","79.649","0.015","88.877","0.015","1804","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd2 N6 O12 -","- C34 H38 Cd2 N6 O12 -","- C68 H76 Cd4 N12 O24 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.084","0.0583","","","0.1487","0.1625","","","","","","1.027","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209846","5.6991","0.0007","9.5878","0.0012","14.1723","0.0018","74.213","0.001","89.714","0.001","84.881","0.001","742.07","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","1","0.5","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0257","0.0233","","","0.0467","0.0473","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209847","8.1772","0.0012","16.157","0.002","3.6286","0.0005","90","","101.399","0.001","90","","469.95","0.11","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Pr -","- B3 Ca4 O10 Pr -","- B6 Ca8 O20 Pr2 -","2","0.5","","Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian","Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3","CrystEngComm","2013","15","26","5226","","10.1039/c3ce00024a","","","0.71073","MoKα","","0.0153","0.0152","","","0.0305","0.0305","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209848","17.222","0.003","21.526","0.004","26.316","0.009","90","","109.84","0.03","90","","9177","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 As2 Na6 Ni4 O83.5 Ru3 W17 -","- C18 H18 As2 Na4 Ni4 O83.5 Ru3 W17 -","- C72 H72 As8 Na16 Ni16 O334 Ru12 W68 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.1115","0.0653","","","0.1252","0.1425","","","","","","1.05","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209849","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.0878","0.0547","","","0.1121","0.1247","","","","","","1.021","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209850","7.1312","0.0012","9.5963","0.0016","12.431","0.002","100.546","0.002","98.09","0.002","95.025","0.002","822.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Er N2 O14 -","- C9 H16 Cl Er N2 O14 -","- C18 H32 Cl2 Er2 N4 O28 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0298","0.0283","","","0.0756","0.0764","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209851","6.8722","0.0009","7.8857","0.0011","10.9592","0.0015","101.529","0.002","106.681","0.002","95.551","0.002","549.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Cl Er N2 O8 -","- C9 H4 Cl Er N2 O8 -","- C18 H8 Cl2 Er2 N4 O16 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0259","0.0241","","","0.0584","0.0594","","","","","","1.021","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209852","7.044","","10.511","","9.693","","90","","106.24","","90","","689.029","","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C10 H6 Cl2 Cu2 N4 O4 -","- C10 H6 Cl2 Cu2 N4 O4 -","- C20 H12 Cl4 Cu4 N8 O8 -","2","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1202","0.0942","","","0.2265","0.2602","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209853","11.545","0.007","7.765","0.005","14.669","0.009","90","","95.146","0.008","90","","1309.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Cu2 N4 O5 -","- C10 H8 Cl Cu2 N4 O5 -","- C40 H32 Cl4 Cu8 N16 O20 -","4","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1617","0.1278","","","0.2654","0.2857","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209854","7.6664","0.0016","31.951","0.007","15.481","0.003","90","","90","","90","","3792.1","1.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cu3 I2 N4 O6 -","- C10 H10 Cu3 I2 N4 O6 -","- C80 H80 Cu24 I16 N32 O48 -","8","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1308","0.0867","","","0.1536","0.1696","","","","","","1.087","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209855","10.2783","0.0007","9.3993","0.0007","17.5516","0.0012","90","","103.055","0.001","90","","1651.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cd N6 O5 -","- C14 H9 Cd N6 O5 -","- C56 H36 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0301","0.0258","","","0.0894","0.1047","","","","","","1.008","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209856","23.6066","0.0015","10.0599","0.0006","17.7135","0.0011","90","","124.836","0.001","90","","3452.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N6 O6 -","- C14 H9 Cd N6 O6 -","- C112 H72 Cd8 N48 O48 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0401","0.0307","","","0.1122","0.144","","","","","","1.015","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209857","6.9138","0.0009","17.721","0.002","15.812","0.002","90","","100.216","0.002","90","","1906.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cd N6 O5 -","- C19 H14 Cd N6 O5 -","- C76 H56 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0274","0.0235","","","0.0783","0.0908","","","","","","1.003","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209858","7.6227","0.0004","10.5639","0.0005","12.0613","0.0006","68.254","0.001","84.76","0.001","76.642","0.001","877.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cd N6 O7 -","- C15 H9 Cd N6 O7 -","- C30 H18 Cd2 N12 O14 -","2","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0322","0.0265","","","0.0875","0.1133","","","","","","1.038","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209859","17.9451","0.0011","8.3941","0.0005","19.5874","0.0012","90","","90","","90","","2950.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N6 O4 Zn -","- C15 H9 N6 O4 Zn -","- C120 H72 N48 O32 Zn8 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0476","0.0297","","","0.1041","0.1383","","","","","","1.098","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209860","12.8475","0.001","19.5073","0.0015","17.9838","0.0013","90","","95.312","0.001","90","","4487.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H27 N18 O12 Zn3 -","- C45 H27 N18 O12 Zn3 -","- C180 H108 N72 O48 Zn12 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0734","0.0395","","","0.108","0.137","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209861","10.5471","0.0005","11.3694","0.0006","12.8451","0.0007","105.556","0.001","102.637","0.001","101.969","0.001","1388.74","0.13","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0336","0.0288","","","0.0667","0.0697","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209862","10.5341","0.0004","11.3689","0.0005","12.817","0.0006","105.56","0.001","102.874","0.001","101.815","0.001","1383.19","0.1","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0359","0.03","","","0.0666","0.0698","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209863","12.2399","0.0005","18.9948","0.0008","14.4502","0.0006","90","","95.78","0.001","90","","3342.5","0.2","191","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Dy2 N12 O12 -","- C68 H78 Dy2 N12 O12 -","- C136 H156 Dy4 N24 O24 -","2","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0294","0.0233","","","0.0594","0.0623","","","","","","1.107","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209864","12.34","0.003","7.8967","0.0015","14.187","0.003","90","","100.414","0.003","90","","1359.7","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(2-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0488","0.0359","","","0.0887","0.0959","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209865","7.705","0.018","7.191","0.018","12.34","0.03","90","","92.39","0.07","90","","683","3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","? 4-(3-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0845","0.0697","","","0.1752","0.1845","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209866","10.8467","0.0015","14.129","0.002","26.79","0.004","90","","90","","90","","4105.6","1","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C168 H108 Cl12 N48 O24 -","12","3","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0859","0.0449","","","0.0761","0.0883","","","","","","1.026","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209867","12.448","0.004","6.999","0.002","15.083","0.004","90","","95.273","0.006","90","","1308.5","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(2-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1069","0.0844","","","0.1507","0.1596","","","","","","1.243","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7209868","7.08","0.002","8.369","0.002","13.026","0.004","102.628","0.004","94.538","0.005","114.741","0.004","671.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(3-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1067","0.0821","","","0.1925","0.205","","","","","","1.167","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209869","8.55","0.005","5.256","0.003","29.749","0.018","90","","96.543","0.01","90","","1328.2","1.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(3-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0993","0.0649","","","0.1399","0.1594","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209870","7.013","0.004","7.312","0.004","13.309","0.007","94.793","0.008","96.114","0.008","107.261","0.008","643.2","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0634","0.0527","","","0.1434","0.1507","","","","","","1.07","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209871","7.587","0.008","13.601","0.014","13.338","0.013","90","","91.266","0.017","90","","1376","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1394","0.1","","","0.247","0.2781","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209872","7.954","0.007","13.263","0.011","12.684","0.011","90","","94.559","0.014","90","","1334","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0637","0.0497","","","0.1148","0.1242","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209873","5.4744","0.0014","11.366","0.003","11.235","0.003","90","","93.816","0.004","90","","697.5","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0293","","","0.0743","0.0749","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209874","9.4462","0.0015","7.2925","0.0011","20.875","0.003","90","","96.379","0.002","90","","1429.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0343","0.0316","","","0.0806","0.0828","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209875","5.431","0.002","21.767","0.009","12.162","0.005","90","","101.372","0.007","90","","1409.5","1","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.039","0.037","","","0.0934","0.0952","","","","","","1.078","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209876","8.945","0.0014","15.147","0.002","10.2164","0.0017","90","","92.321","0.003","90","","1383.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0334","0.0302","","","0.0781","0.0805","","","","","","1.029","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209877","8.566","0.004","8.694","0.004","10.011","0.005","85.508","0.007","71.441","0.007","72.559","0.007","674.2","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0335","0.0314","","","0.0769","0.0781","","","","","","1.089","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209878","7.587","0.004","8.31","0.004","12.755","0.006","95.053","0.007","100.946","0.007","116.761","0.007","691","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0477","0.0427","","","0.0991","0.1014","","","","","","1.138","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209879","7.1884","0.0008","11.985","0.0013","16.2685","0.0017","90","","96.66","0.002","90","","1392.1","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0418","0.0345","","","0.0776","0.0812","","","","","","1.15","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209880","7.8521","0.0011","7.089","0.001","24.5","0.003","90","","90.151","0.002","90","","1363.8","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0662","0.0672","","","","","","1.172","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209881","27.638","0.006","5.5912","0.0013","17.974","0.004","90","","96.932","0.006","90","","2757.2","1.1","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C112 H72 I8 N32 O16 -","8","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0423","0.0338","","","0.0757","0.0884","","","","","","1.127","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209882","8.691","0.0004","12.9024","0.0007","14.6057","0.0008","90","","90","","90","","1637.81","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C56 H56 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0519","0.0353","","","0.0798","0.0875","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209883","8.7299","0.0005","12.9","0.0006","14.6546","0.0006","90","","90","","90","","1650.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0602","0.0418","","","0.079","0.0847","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209884","11.3517","0.0007","9.6554","0.0005","15.5866","0.0008","90","","90","","90","","1708.37","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C48 H32 Br8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.065","0.0515","","","0.1182","0.1265","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209885","11.3675","0.0003","9.7875","0.0003","15.6246","0.0007","90","","90","","90","","1738.38","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 N4 S2 Zn -","- C12 H8 Br2 N4 S2 Zn -","- C48 H32 Br8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0584","0.0499","","","0.0887","0.0917","","","","","","1.327","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209886","8.6064","0.0002","12.7726","0.0003","14.6199","0.0004","90","","90","","90","","1607.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0322","0.0291","","","0.0629","0.064","","","","","","1.111","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209887","11.2928","0.0007","9.7123","0.0005","15.1913","0.0008","90","","90","","90","","1666.17","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0398","0.0312","","","0.0754","0.0799","","","","","","1.036","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209888","8.6264","0.0004","12.7738","0.0004","14.6614","0.0004","90","","90","","90","","1615.57","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.033","0.0283","","","0.0618","0.0637","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209889","11.3237","0.0004","9.7997","0.0003","15.2661","0.0006","90","","90","","90","","1694.06","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0424","0.0376","","","0.0867","0.0891","","","","","","1.166","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209890","11.357","0.0008","9.7125","0.0005","15.391","0.0012","90","","90","","90","","1697.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0685","0.0507","","","0.0921","0.0986","","","","","","1.186","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209891","11.138","0.006","11.333","0.006","15.819","0.008","102.563","0.002","109.028","0.005","99.004","0.005","1785.6","1.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C52 H72 N2 Ni2 O14 S20 -","2","2","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0519","0.0411","","","0.1155","0.1343","","","","","","0.869","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209892","8.752","0.004","10.936","0.007","11.13","0.007","84.99","0.03","67.779","0.018","70.16","0.02","926.6","0.9","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","1","1","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0754","0.0419","","","0.0961","0.1318","","","","","","0.97","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209893","10.0145","0.0004","8.8239","0.0003","13.7249","0.0008","90","","90","","90","","1212.83","0.1","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0471","0.0383","","","0.079","0.0837","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209894","10.0153","0.0005","9.8465","0.0005","12.7219","0.0006","90","","100.535","0.005","90","","1233.43","0.11","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0697","0.0446","","","0.0952","0.113","","","","","","1.046","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209895","8.9165","0.0005","13.8016","0.0008","10.3354","0.0004","90","","102.248","0.005","90","","1242.94","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0832","0.0629","","","0.1032","0.1254","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209896","9.4912","0.0006","14.474","0.0008","10.4976","0.001","90","","104.455","0.008","90","","1396.46","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0743","0.0626","","","0.1168","0.139","","","","","","1.025","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209897","5.6882","0.0011","7.1254","0.001","18.859","0.003","93.019","0.012","93.569","0.014","112.646","0.015","701.6","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C22 H26 N10 O12 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0975","0.0614","","","0.1457","0.1663","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209898","9.3186","0.0019","13.311","0.003","11.444","0.002","90","","95.92","0.03","90","","1411.9","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.092","0.0456","","","0.1178","0.1601","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209899","6.2576","0.0013","14.176","0.003","9.4606","0.0019","90","","107.55","0.03","90","","800.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0952","0.0623","","","0.1382","0.1542","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209900","14.059","0.003","5.0058","0.001","21.608","0.004","90","","95.23","0.03","90","","1514.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C44 H52 Cl8 N12 O32 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0874","0.065","","","0.1848","0.2053","","","","","","1.097","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209901","6.0703","0.0013","14.175","0.003","9.5289","0.0019","90","","105.04","0.03","90","","791.8","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0991","0.0638","","","0.1525","0.1774","","","","","","1.026","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209902","10.083","0.0004","13.1064","0.0005","23.2914","0.0013","90","","103.232","0.004","90","","2996.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C88 H96 F48 N24 P8 -","8","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0799","0.0539","","","0.1519","0.166","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209903","7.3681","0.0015","12.231","0.002","15.253","0.003","90","","98.31","0.03","90","","1360.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C44 H48 F24 N12 P4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0881","0.0681","","","0.2058","0.2261","","","","","","1.078","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209904","6.3859","0.0002","13.0144","0.0005","18.0253","0.0007","90","","98.581","0.004","90","","1481.29","0.09","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H25 F18 N6 P3 -","- C22 H25 F18 N6 P3 -","- C44 H50 F36 N12 P6 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.074","0.0508","","","0.1329","0.1538","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209905","8.16","0.003","22.912","0.008","10.715","0.004","90","","102.583","0.005","90","","1955.2","1.2","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C5 H40 Mo6 N Na2 O42 P3 -","- C5 H8 Mo6 N Na2 O42 P3 -","- C10 H16 Mo12 N2 Na4 O84 P6 -","2","0.5","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.0689","0.0552","","","0.1485","0.1565","","","","","","1.006","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209906","13.636","0.005","17.391","0.006","20.271","0.008","74.282","0.007","81.167","0.007","78.259","0.007","4506","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H68 Mn2 Mo12 N6 Na4 O78 P6 -","- C8 H16 Mn2 Mo12 N6 Na4 O78 P6 -","- C16 H32 Mn4 Mo24 N12 Na8 O156 P12 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.1479","0.07","","","0.1616","0.1841","","","","","","1.037","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209907","7.7424","0.0003","10.6628","0.0006","12.8135","0.0004","112.188","0.004","93.106","0.003","104.943","0.004","932.69","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 La N O12 -","- C14 H17 La N O12 -","- C28 H34 La2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0299","","","0.0624","0.0646","","","","","","1.039","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209908","10.2113","0.0005","12.0766","0.0007","12.9701","0.0007","74.784","0.005","76.254","0.005","71.416","0.005","1442.02","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Er2 N2 O17 -","- C28 H20 Er2 N2 O17 -","- C56 H40 Er4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0618","0.0448","","","0.0887","0.097","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209909","10.1999","0.001","12.0085","0.0012","12.9253","0.001","74.968","0.008","76.328","0.008","71.456","0.009","1429","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Yb2 -","- C28 H20 N2 O17 Yb2 -","- C56 H40 N4 O34 Yb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0256","","","0.0541","0.0568","","","","","","1.002","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209910","7.7062","0.0006","10.6544","0.0006","12.7524","0.0012","112.492","0.007","93.296","0.007","104.776","0.006","921.2","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ce N O12 -","- C14 H17 Ce N O12 -","- C28 H34 Ce2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.029","0.0265","","","0.0632","0.0645","","","","","","1.059","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209911","10.1992","0.0006","12.4966","0.0005","13.2905","0.0007","72.375","0.004","73.51","0.005","69.764","0.005","1484.08","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Pr2 -","- C28 H20 N2 O17 Pr2 -","- C56 H40 N4 O34 Pr4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0378","0.0317","","","0.0719","0.0758","","","","","","1.041","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209912","10.1782","0.001","12.457","0.0012","13.2659","0.0013","72.476","0.009","73.363","0.009","69.928","0.009","1474.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 Nd2 O17 -","- C28 H20 N2 Nd2 O17 -","- C56 H40 N4 Nd4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0353","0.0286","","","0.0643","0.0672","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209913","10.1638","0.0004","12.3381","0.0005","13.1801","0.0007","73.301","0.004","74.382","0.004","70.393","0.004","1463.71","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Sm2 -","- C28 H20 N2 O17 Sm2 -","- C56 H40 N4 O34 Sm4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0489","0.0375","","","0.0726","0.077","","","","","","1.038","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209914","10.1851","0.0009","12.2709","0.0012","13.1055","0.0017","73.633","0.01","75.226","0.009","70.826","0.008","1460.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Eu2 N2 O17 -","- C28 H20 Eu2 N2 O17 -","- C56 H40 Eu4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0286","","","0.0614","0.0646","","","","","","1.036","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209915","10.2255","0.0007","12.2071","0.0007","13.0585","0.001","74.105","0.006","75.466","0.006","71.01","0.006","1458.71","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Gd2 N2 O17 -","- C28 H20 Gd2 N2 O17 -","- C56 H40 Gd4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0493","0.035","","","0.0615","0.0658","","","","","","1.014","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209916","10.2253","0.0005","12.1473","0.0006","13.0025","0.0006","74.69","0.004","75.995","0.004","71.226","0.004","1452.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Tb2 -","- C28 H20 N2 O17 Tb2 -","- C56 H40 N4 O34 Tb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0733","0.0764","","","","","","1.092","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209917","10.223","0.0004","12.1165","0.0005","12.9755","0.0005","74.697","0.003","76.106","0.003","71.311","0.004","1447.07","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Dy2 N2 O17 -","- C28 H20 Dy2 N2 O17 -","- C56 H40 Dy4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0447","0.0325","","","0.0603","0.0642","","","","","","1.023","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209918","10.2863","0.0003","4.1579","0.0001","16.339","0.0005","90","","98.83","0.003","90","","690.53","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B La Mo O6 -","- B La Mo O6 -","- B6 La6 Mo6 O36 -","6","3","","Yu, Yan; Li, Lingyun; Lin, Zhoubin; Wang, Guofu","Growth, structure and optical properties of a nonlinear optical crystal α-LaBMoO6","CrystEngComm","2013","15","26","5245","","10.1039/c3ce40364e","","","0.71073","MoKα","","0.0382","0.03","","","0.0707","0.079","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209919","8.1571","0.001","14.7919","0.0018","20.877","0.003","108.625","0.002","95.964","0.002","98.671","0.002","2328.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O14 -","- C54 H34 Co4 N4 O14 -","- C108 H68 Co8 N8 O28 -","2","1","","Liu, Bo; Liu, Bin; Pang, Lingyan; Yang, Guoping; Cui, Lin; Wang, Yao-Yu; Shi, Qizhen","Unprecedented 1D alternate Co5 chain and discrete Co3 unit embedded in a 3D framework exhibiting slow magnetic relaxation behaviour","CrystEngComm","2013","15","26","5205","","10.1039/c3ce40373d","","","0.71073","MoKα","","0.0902","0.0537","","","0.1325","0.1612","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209920","20.5909","0.0004","20.5909","0.0004","28.3082","0.0009","90","","90","","120","","10394.3","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0308","","","0.0734","0.0746","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209921","20.609","0.003","20.609","0.003","28.314","0.004","90","","90","","120","","10415","3","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0704","","","0.1639","0.1652","","","","","","1.106","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209922","10.5251","0.0007","11.6823","0.0007","15.5758","0.0008","110.077","0.003","92.702","0.004","109.083","0.004","1672.3","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Cd2 N8 O6 -","- C37 H25 Cd2 N8 O6 -","- C74 H50 Cd4 N16 O12 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.033","0.0259","","","0.0667","0.0723","","","","","","1.034","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209923","14.326","0.003","17.238","0.003","7.4095","0.0015","90","","97.4","0.03","90","","1814.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd2 N6 O8 -","- C16 H8 Cd2 N6 O9 -","- C64 H32 Cd8 N24 O36 -","4","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.0431","0.0361","","","0.0866","0.093","","","","","","1.004","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209924","13.9731","0.0004","26.4604","0.0007","19.5809","0.0006","90","","90","","90","","7239.7","0.4","100.1","","100.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 La2 O51 S12 -","- C36 H18 La2 O51 S12 -","- C144 H72 La8 O204 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0455","","","","0.1257","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209925","13.916","0.0008","26.5308","0.0013","19.3049","0.0011","90","","90","","90","","7127.4","0.7","110.1","","110.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 Ce2 O47 S12 -","- C36 H18 Ce2 O47 S12 -","- C144 H72 Ce8 O188 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0722","","","","0.2427","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209926","15.5737","0.0006","12.2953","0.0005","20.6509","0.0008","90","","110.621","0.0011","90","","3701","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H74 Eu2 O56 S12 -","- C36 H74 Eu2 O56 S12 -","- C72 H148 Eu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.027","","","","0.068","","","","","","1.021","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209927","14.9888","0.0007","12.4793","0.0006","20.4181","0.001","90","","109.189","0.0015","90","","3607","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 Lu2 O56 S12 -","- C36 H18 Lu2 O56 S12 -","- C72 H36 Lu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0537","","","","0.1256","","","","","","1.158","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209928","15.5538","0.0004","12.2885","0.0004","20.6249","0.0006","90","","110.567","0.0009","90","","3690.84","0.19","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tb2 -","- C36 H78 O56 S12 Tb2 -","- C72 H156 O112 S24 Tb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0207","","","","0.0543","","","","","","1.109","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209929","15.4846","0.0007","12.3023","0.0005","20.5851","0.0008","90","","110.451","0.0012","90","","3674.2","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tm2 -","- C36 H78 O56 S12 Tm2 -","- C72 H156 O112 S24 Tm4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0263","","","","0.0619","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209930","15.4625","0.0005","12.2942","0.0004","20.5701","0.0006","90","","110.442","0.0008","90","","3664.1","0.2","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 O56 S12 Yb2 -","- C36 H18 O56 S12 Yb2 -","- C72 H36 O112 S24 Yb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0471","","","","0.115","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209931","7.9992","0.0006","9.3303","0.0005","9.5016","0.0004","95.094","0.004","97.795","0.005","108.464","0.006","659.85","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Mn N2 O6 P -","- C11 H10 Mn N2 O6 P -","- C22 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0394","0.0314","","","0.0692","0.072","","","","","","1.04","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209932","6.1008","0.0008","6.7115","0.0007","12.9864","0.0008","92.04","0.007","95.79","0.008","107.914","0.008","502.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Mn N O8 P -","- C7 H7 Mn N O8 P -","- C14 H14 Mn2 N2 O16 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0397","0.0306","","","0.0676","0.0718","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209933","7.7715","0.0009","9.4619","0.0008","10.7591","0.0008","114.628","0.007","90.843","0.006","102.125","0.008","698.47","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Mn N2 O6 P -","- C13 H10 Mn N2 O6 P -","- C26 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0423","0.0321","","","0.0724","0.077","","","","","","1.068","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209934","17.7951","0.0006","6.9089","0.0003","13.0784","0.0005","90","","109.667","0.002","90","","1514.12","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzoic acid 4-phenylpyridine","3-nitrobenzoic acid 4-phenylpyridine","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0512","0.0424","","","0.117","0.1255","","","","","","1.052","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209935","8.1839","0.0002","10.88","0.0003","19.2168","0.0005","73.589","0.001","83.558","0.001","68.897","0.001","1531.19","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-aminobenzoic acid 4-phenylpyridine","4-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0779","0.0445","","","0.0966","0.1143","","","","","","1.02","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209936","9.5861","0.0009","10.1179","0.0009","14.4262","0.0011","88.676","0.007","76.576","0.007","64.447","0.009","1223.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C25 H17 N5 O12 -","- C25 H17 N5 O12 -","- C50 H34 N10 O24 -","2","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0721","0.0374","","","0.0701","0.0757","","","","","","0.838","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209937","7.0267","0.0005","19.4733","0.0015","10.9698","0.0008","90","","102.362","0.003","90","","1466.23","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-phenylpyridinium gallate","4-phenylpyridinium gallate","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0378","0.036","","","0.0993","0.101","","","","","","1.05","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209938","22.4605","0.0005","7.1673","0.0002","20.0652","0.0005","90","","116.438","0.001","90","","2892.3","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium saliyclate","4-phenylpyridinium saliyclate","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0756","0.0565","","","0.1565","0.1654","","","","","","1.167","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209939","7.5367","0.0013","10.0173","0.0018","19.429","0.004","90","","92.881","0.008","90","","1465","0.5","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0542","0.0414","","","0.1051","0.1154","","","","","","1.025","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209940","7.5472","0.0009","10.0169","0.0012","19.516","0.003","90","","92.845","0.006","90","","1473.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0564","0.0421","","","0.1116","0.1192","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209941","7.557","0.0007","10.0088","0.001","19.597","0.002","90","","92.793","0.005","90","","1480.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0621","0.0432","","","0.1133","0.1232","","","","","","1.044","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209942","7.5656","0.0006","10.0044","0.0009","19.6836","0.0018","90","","92.755","0.004","90","","1488.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0587","0.0474","","","0.1262","0.138","","","","","","1.031","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209943","43.423","0.005","10.002","0.001","16.577","0.0018","90","","97.896","0.01","90","","7131.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 Cu2 N8 O15 Si6 -","- C48 H90 Cu2 N8 O15 Si6 -","- C192 H360 Cu8 N32 O60 Si24 -","4","0.5","","Vlad, Angelica; Zaltariov, Mirela-Fernanda; Shova, Sergiu; Novitchi, Ghenadie; Varganici, Cristian-Dragos; Train, Cyrille; Cazacu, Maria","Flexible linkers and dinuclear metallic nodes build up an original metal‒organic framework","CrystEngComm","2013","15","26","5368","","10.1039/c3ce40506k","","","0.7107","MoKα","","0.1679","0.0951","","","0.2342","0.2736","","","","","","1.018","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209944","7.936","0.002","12.2","0.003","34.428","0.007","90","","90","","90","","3333.3","1.4","80","2","80","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1684","0.0993","","","0.181","0.2168","","","","","","1.06","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209945","7.89","0.002","12.081","0.003","34.782","0.005","90","","90","","90","","3315.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-serinate methanol 1.57-solvate","","- C34.57 H42.28 N4 O11.57 -","- C34.57 H42.28 N4 O11.57 -","- C138.28 H169.12 N16 O46.28 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1454","0.0565","","","0.115","0.1388","","","","","","0.934","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209946","7.938","0.002","12.33","0.003","35.775","0.005","90","","90","","90","","3501.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.84~L~0.16~)-threoninate ethanol solvate 0.79-hydrate","","- C36 H45.61 N4 O11.81 -","- C36 H45.588 N4 O11.794 -","- C144 H182.352 N16 O47.176 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.1631","0.0888","","","0.1948","0.2306","","","","","","0.834","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209947","7.904","0.002","12.189","0.003","15.721","0.003","106.65","0.02","103.48","0.02","98.91","0.03","1370.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3-nitrobenzoyl)-L-valinate brucine pentahydrate","","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","1","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1019","0.0511","","","0.0744","0.0902","","","","","","0.964","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209948","7.88","0.003","12.092","0.002","34.308","0.006","90","","90","","90","","3269","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-D-alaninate methanol 1.61-solvate","","- C34.61 H42.45 N4 O10.61 -","- C34.615 H42.461 N4 O10.615 -","- C138.46 H169.844 N16 O42.46 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0798","0.0485","","","0.0972","0.1132","","","","","","1.032","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209949","7.919","0.002","12.266","0.003","34.42","0.005","90","","90","","90","","3343.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-L-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0867","0.0711","","","0.1577","0.1638","","","","","","1.14","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209950","12.144","0.003","7.893","0.002","34.093","0.005","90","","90.63","0.03","90","","3267.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3-nitrobenzoy)-(D~0.55~L~0.45~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0909","0.0828","","","0.2016","0.2066","","","","","","1.172","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209951","7.826","0.002","12.048","0.003","35.119","0.006","90","","90","","90","","3311.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.73~L~0.27~)-alaninate propan-1-ol solvate","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.5417","CuKα","","0.0808","0.0684","","","0.1715","0.1959","","","","","","1.055","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209952","7.798","0.002","12.117","0.003","35.287","0.005","90","","90","","90","","3334.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.77~L~0.23~)-alaninate propan-1,2-diol solvate","","- C36 H44 N4 O11 -","- C36 H44 N4 O11 -","- C144 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1351","0.0773","","","0.1727","0.1912","","","","","","1.023","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209953","7.882","0.002","12.211","0.003","35.713","0.006","90","","90","","90","","3437.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.51~L~0.49~)-alaninate propan-1,3-diol solvate","","- C36 H44 N4 O11 -","- C36.003 H44.008 N4 O11.002 -","- C144.012 H176.032 N16 O44.008 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1498","0.0704","","","0.1648","0.216","","","","","","0.984","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209954","7.922","0.002","12.252","0.003","35.746","0.006","90","","90","","90","","3469.5","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.82~L~0.18~)-alaninate butanol-1,2-diol 0.82-solvate 0.27-hydrate","","- C36.28 H44.74 N4 O10.91 -","- C36.284 H44.21 N4 O10.911 -","- C145.136 H176.84 N16 O43.644 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1495","0.0659","","","0.1374","0.1737","","","","","","1.033","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209955","7.837","0.002","12.202","0.003","35.412","0.006","90","","90","","90","","3386.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.59~L~0.41~)-alaninate butanol-1,2-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1156","0.0719","","","0.1806","0.1954","","","","","","1.071","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209956","7.906","0.002","12.047","0.003","35.802","0.004","90","","90","","90","","3409.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.57~L~0.43~)-alaninate butan-1,4-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.2015","0.0436","","","0.0602","0.0831","","","","","","0.756","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209957","7.944","0.002","12.52","0.003","33.073","0.004","90","","90","","90","","3289.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0514","0.0353","","","0.0717","0.0758","","","","","","0.94","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209958","7.835","0.002","12.067","0.003","34.634","0.006","90","","90","","90","","3274.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-L-serinate methanol solvate hydrate","","- C34 H42 N4 O12 -","- C34 H42 N4 O12 -","- C136 H168 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1096","0.048","","","0.0825","0.0953","","","","","","0.882","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209959","12.47","0.003","13.622","0.003","14.178","0.004","90","","90","","90","","2408.4","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine propan-1,2-diol solvate 0.19-hydrate","","- C26 H34.38 N2 O6.19 -","- C25.998 H34.369 N2 O6.185 -","- C103.992 H137.476 N8 O24.74 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0778","0.0588","","","0.1624","0.1797","","","","","","1.034","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209960","12.481","0.002","13.65","0.002","13.981","0.003","90","","90","","90","","2381.9","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine butan-1,2-diol 0.84-solvate 0.16-hydrate","","- C26.37 H34.74 N2 O5.84 -","- C26.372 H34.43 N2 O5.844 -","- C105.488 H137.72 N8 O23.376 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.0557","0.055","","","0.1489","0.1506","","","","","","1.048","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209961","15.2305","0.0018","15.2305","0.0018","15.2305","0.0018","90","","90","","90","","3533","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C12 H72 Co4 K O72 Ru6 -","- C12 H72.24 Co4 K O72 Ru6 -","- C24 H144.48 Co8 K2 O144 Ru12 -","2","0.0208333","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0499","0.0499","","","0.1625","0.1625","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209962","9.644","0.0019","9.592","0.0019","11.141","0.002","90","","109.71","0.03","90","","970.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H20 Co K O22 Ru2 -","- C4 H20 Co K O22 Ru2 -","- C8 H40 Co2 K2 O44 Ru4 -","2","1","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0389","0.0338","","","0.0717","0.0735","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209963","18.408","0.004","9.3923","0.0019","10.07","0.002","90","","90","","90","","1741","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 Co K O17 Ru2 -","- C4 H10 Co K O17 Ru2 -","- C16 H40 Co4 K4 O68 Ru8 -","4","0.5","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0669","0.0549","","","0.1483","0.1566","","","","","","1.083","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209964","9.586","0.0019","10.713","0.002","13.527","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0273","0.0237","","","0.064","0.0662","","","","","","0.88","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209965","9.589","0.0019","10.709","0.002","13.528","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0255","0.0235","","","0.0627","0.0635","","","","","","1.065","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209966","9.5958","0.0019","10.99","0.002","12.258","0.003","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O3 -","- C12 H12 Cu N4 O3 -","- C48 H48 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0293","0.0238","","","0.0518","0.0525","","","","","","0.96","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209967","8.2239","0.0016","9.5128","0.0019","10.46","0.002","64.03","0.03","71.43","0.03","83.95","0.03","696.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","1","0.5","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0843","0.0759","","","0.1943","0.1973","","","","","","1.266","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209968","9.518","0.004","11.058","0.004","14.814","0.006","92.275","0.007","105.925","0.007","109.584","0.006","1397.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br Cu N4 O2 -","- C12 H11 Br Cu N4 O2 -","- C48 H44 Br4 Cu4 N16 O8 -","4","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.1529","0.0659","","","0.1619","0.1906","","","","","","1.018","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209969","13.724","0.003","13.478","0.003","15.482","0.007","90","","117.98","0.02","90","","2529","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Cu N4 O2 -","- C11 H9 Br Cu N4 O2 -","- C88 H72 Br8 Cu8 N32 O16 -","8","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0426","0.0271","","","0.0656","0.0707","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209970","10.2341","0.0002","10.5536","0.0002","10.9976","0.0002","94.6444","0.0018","108.019","0.0019","108.183","0.002","1052.24","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","1","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0143","0.0142","","","0.0363","0.0364","","","","","","1.048","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209971","14.055","0.0004","14.4443","0.0004","17.5311","0.0007","90","","122.72","0.002","90","","2994.32","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn2 N10 O10 Pt S6 -","- C56 H52 Mn2 N10 O10 Pt S6 -","- C112 H104 Mn4 N20 O20 Pt2 S12 -","2","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0434","0.0314","","","0.0784","0.0812","","","","","","0.997","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209972","49.033","0.002","8.9877","0.0003","18.4357","0.0006","90","","90","","90","","8124.5","0.5","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cd Cl2 N14 O18 -","- C80 H80 Cd Cl2 N14 O18 -","- C320 H320 Cd4 Cl8 N56 O72 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1186","0.0712","","","0.1952","0.2251","","","","","","1.031","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209973","49.17","0.004","9.0156","0.0007","18.0678","0.0015","90","","90","","90","","8009.4","1.1","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cl2 N14 O18 Zn -","- C80 H78 Cl2 N14 O18 Zn -","- C320 H312 Cl8 N56 O72 Zn4 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1246","0.11","","","0.3009","0.3135","","","","","","1.235","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209974","25.242","0.009","19.401","0.007","8.718","0.003","90","","91.011","0.006","90","","4269","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Cu I N9 O6 -","- C43 H45 Cu I N9 O6 -","- C172 H180 Cu4 I4 N36 O24 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1038","0.0932","","","0.2713","0.2845","","","","","","1.077","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209975","46.404","0.005","8.9009","0.0009","19.4327","0.0019","90","","90.374","0.003","90","","8026.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H75 Cu N19 O9 S2 -","- C83 H75 Cu N19 O9 S2 -","- C332 H300 Cu4 N76 O36 S8 -","4","0.5","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.0934","0.0593","","","0.1543","0.1869","","","","","","1.102","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209976","29.174","0.004","16.934","0.002","18.119","0.002","90","","110.166","0.002","90","","8402.6","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C83 H76 N15 O12 -","- C83 H76 N15 O12 -","- C332 H304 N60 O48 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1026","0.0818","","","0.2206","0.251","","","","","","1.077","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209977","7.2366","0.0003","8.4314","0.0003","7.2292","0.0003","90","","90","","90","","441.09","0.03","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C3 H3 I3 N2 -","- C3 H3 I3 N2 -","- C6 H6 I6 N4 -","2","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0276","0.023","","","0.0492","0.0514","","","","","","1.056","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209978","7.8732","0.0005","15.4592","0.0007","9.6771","0.0006","90","","106.647","0.006","90","","1128.47","0.12","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 I N2 -","- C3 H5 I N2 -","- C24 H40 I8 N16 -","8","2","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0683","0.0624","","","0.132","0.1342","","","","","","1.276","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209979","7.8956","0.0009","7.8956","0.0009","8.0774","0.0016","90","","90","","120","","436.09","0.11","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C3 H5 I N2 -","- C2.9988 H4.998 I N1.9992 -","- C8.9964 H14.994 I3 N5.9976 -","3","0.0833333","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0204","0.0204","","","0.0547","0.0547","","","","","","0.975","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209980","13.9633","0.0016","15.6595","0.001","14.9399","0.0013","90","","116.778","0.007","90","","2916.4","0.5","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C48 H80 I32 N32 -","8","1","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0581","0.0463","","","0.1224","0.1289","","","","","","1.201","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7209981","14.1543","0.0012","15.7359","0.001","27.1076","0.0017","90","","90","","90","","6037.7","0.7","295","2","295","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H20 I8 N8 -","- C12 H20 I8 N8 -","- C96 H160 I64 N64 -","8","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.1018","0.0343","","","0.0869","0.1057","","","","","","0.834","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209982","23.746","0.008","12.946","0.004","15.957","0.005","90","","90","","90","","4905","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Mn2 N14 O4 -","- C18 H16 Mn2 N14 O4 -","- C144 H128 Mn16 N112 O32 -","8","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0698","0.0542","","","0.1264","0.1356","","","","","","1.032","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209983","19.6971","0.0009","19.6971","0.0009","19.9978","0.0008","90","","90","","90","","7758.7","0.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H21 Mn2 N15 O3 -","- C21 H21 Mn2 N15 O3 -","- C168 H168 Mn16 N120 O24 -","8","0.5","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0711","0.0624","","","0.1755","0.1846","","","","","","1.064","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209984","16.2278","0.0013","10.2439","0.0009","17.3848","0.0014","90","","113.77","0.002","90","","2644.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Mn N2 O15 -","- C19 H26 Cl2 Cu Mn N2 O15 -","- C76 H104 Cl8 Cu4 Mn4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0524","0.0396","","","0.1233","0.1341","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209985","16.3338","0.001","10.193","0.0007","17.2984","0.0012","90","","114.814","0.002","90","","2614.1","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Fe N2 O15 -","- C19 H26 Cl2 Cu Fe N2 O15 -","- C76 H104 Cl8 Cu4 Fe4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0487","0.0405","","","0.1348","0.1455","","","","","","1.161","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209986","11.5653","0.0015","26.5","0.003","22.771","0.003","90","","95.591","0.002","90","","6945.7","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C276 H272 Cl8 Cu12 Mn4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0618","0.0387","","","0.117","0.1384","","","","","","0.942","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209987","11.557","0.002","26.632","0.005","22.822","0.005","90","","95.719","0.006","90","","6989","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C276 H272 Cl8 Cu12 Fe4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0565","0.0376","","","0.1168","0.135","","","","","","0.953","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209988","12.2417","0.0004","12.8209","0.0005","20.5866","0.0008","94.519","0.003","90.329","0.003","111.576","0.003","2993.2","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H58 Cu3 N10 O52 P Tb W11 -","- C12 H40 Cu3 N10 O52 P Tb W11 -","- C24 H80 Cu6 N20 O104 P2 Tb2 W22 -","2","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Novel organic‒inorganic hybrid one-dimensional chain assembled by oxalate-bridging terbium-substituted phosphotungstate dimers and dinuclear copper(ii)‒oxalate clusters","CrystEngComm","2013","15","26","5209","","10.1039/c3ce40573g","","","0.71073","MoKα","","0.0519","0.0399","","","0.0962","0.1013","","","","","","1.063","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209989","10.814","0.0013","10.814","0.0013","25.41","0.004","90","","90","","90","","2971.5","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N7 O8 Zn2 -","- C19 H13 N7 O8 Zn2 -","- C76 H52 N28 O32 Zn8 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0325","0.0319","","","0.0873","0.0879","","","","","","1.096","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209990","20.73","0.008","14.751","0.005","20.709","0.008","90","","97.174","0.004","90","","6283","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd2 N9 O9 -","- C27 H27 Cd2 N9 O9 -","- C216 H216 Cd16 N72 O72 -","8","1","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0801","0.0626","","","0.1886","0.2053","","","","","","1.081","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209991","7.5673","0.0005","9.3773","0.0005","7.7862","0.0005","90","","108.734","0.007","90","","523.24","0.06","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Mg N2 O8 -","- C8 H12 Mg N2 O8 -","- C16 H24 Mg2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0405","0.0368","","","0.1088","0.1116","","","","","","1.192","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209992","7.5941","0.0004","5.6569","0.0003","13.1056","0.0006","90","","95.284","0.004","90","","560.61","0.05","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Ca N2 O8 -","- C8 H12 Ca N2 O8 -","- C16 H24 Ca2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0296","0.0257","","","0.0649","0.0669","","","","","","1.129","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209993","23.6213","0.0016","6.9431","0.0005","8.0865","0.0004","90","","104.072","0.009","90","","1286.43","0.15","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O9 Sr -","- C8 H14 N2 O9 Sr -","- C32 H56 N8 O36 Sr4 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0211","0.0196","","","0.0494","0.0501","","","","","","1.049","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209994","4.6423","0.0002","13.5308","0.0006","17.7254","0.0009","90","","93.474","0.004","90","","1111.36","0.09","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ba N2 O7 -","- C8 H10 Ba N2 O7 -","- C32 H40 Ba4 N8 O28 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0151","0.015","","","0.0352","0.0353","","","","","","1.2","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209995","17.7748","0.0005","10.7982","0.0003","19.9149","0.0005","90","","106.716","0.003","90","","3660.86","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl20 Cr28 H194 N58 O10 S32 -","2","0.25","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0482","0.0288","","","0.0674","0.07","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209996","15.1894","0.0004","12.7155","0.0003","16.4353","0.0004","90","","90","","90","","3174.33","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H22 As2 Br2.43 Cl1.56 N4 S8 Sn2 -","- C12 H22 As2 Br2.434 Cl1.56 N4 S8 Sn2 -","- C48 H88 As8 Br9.736 Cl6.24 N16 S32 Sn8 -","4","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0471","0.0314","","","0.0641","0.0706","","","","","","1.005","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209997","29.585","0.013","3.8211","0.0018","11.156","0.005","90","","97.327","0.005","90","","1250.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hydrogen bis(benzoate)","","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0548","0.0494","","","0.1323","0.1357","","","","","","1.122","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209998","6.875","0.0011","6.9872","0.0011","30.188","0.005","90","","90","","90","","1450.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0552","0.0428","","","0.0863","0.0916","","","","","","1.094","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209999","29.234","0.01","3.8543","0.0013","11.408","0.004","90","","94.455","0.005","90","","1281.5","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ammonium hydrogen bis(benzoate)","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0928","0.0616","","","0.1381","0.1545","","","","","","1.08","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210000","5.8207","0.0011","14.46","0.003","22.09","0.004","90","","97.084","0.003","90","","1845.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium dihydrogen tris(benzoate)","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0634","0.0437","","","0.1055","0.1159","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210001","10.0863","0.0005","10.9647","0.0004","18.8209","0.0009","90","","92.043","0.004","90","","2080.14","0.16","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0831","0.0591","","","0.1117","0.1196","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210002","3.8163","0.0006","22.85","0.003","11.918","0.002","90","","92.724","0.013","90","","1038.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0558","0.0486","","","0.1216","0.1265","","","","","","1.09","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7210003","12.568","0.0003","13.59","0.0004","25.68","0.0008","80.498","0.003","76.872","0.002","76.607","0.002","4125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H109 Mo8 N36 O44 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0961","0.0719","","","0.1964","0.2163","","","","","","1.074","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210004","16.994","0.0003","18.914","0.0004","18.948","0.0008","108.314","0.003","106.718","0.002","109.066","0.002","4920.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H122 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0962","0.0716","","","0.1976","0.2232","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210005","16.4725","0.0007","18.9713","0.0004","19.232","0.0005","108.409","0.002","108.935","0.003","106.424","0.003","4871.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H61 Cd2 Mo8 N18 O38.5 -","- C60 H34 Cd2 Mo8 N18 O38.5 -","- C120 H68 Cd4 Mo16 N36 O77 -","2","1","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71073","MoKα","","0.0957","0.0637","","","0.1592","0.1894","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210006","16.1814","0.0015","10.4831","0.0009","18.8326","0.0016","90","","90","","90","","3194.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H24 N2 O5 -","- C13 H24 N2 O5 -","- C104 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0688","0.0452","","","0.1045","0.1142","","","","","","1.271","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210007","9.4323","0.001","19.848","0.002","20.122","0.002","90","","90","","90","","3767.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C144 H208 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0778","0.0562","","","0.127","0.137","","","","","","1.163","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210008","10.864","0.003","11.56","0.003","31.828","0.009","90.032","0.005","90.091","0.005","91.966","0.004","3994.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C144 H208 N16 O48 -","8","4","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.1623","0.1255","","","0.3577","0.3793","","","","","","1.138","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210009","9.5387","0.0015","23.208","0.004","7.4056","0.0012","90","","90","","90","","1639.4","0.5","150","1","150","1","","","","","","","see text","3","P c c n","-P 2ab 2ac","56","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0441","0.0302","","","0.077","0.0811","","","","","","1.043","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210010","5.2422","0.0003","7.156","0.0004","13.2155","0.0007","93.426","0.004","98.645","0.004","109.868","0.005","457.66","0.05","150","1","150","1","","","","","","","see text","4","P -1","-P 1","2","","hexa-2,4-diyne-1,6-diyl bis(2,4,6-trifluorophenylcarbonate)","","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","1","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0317","0.0285","","","0.0729","0.0747","","","","","","1.028","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210011","20.8305","0.0012","3.9051","0.0003","22.4954","0.0012","90","","110.433","0.007","90","","1714.8","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","hexa-2,4-diyne-1,6-diyl bis(3-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","1","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0448","0.0364","","","0.097","0.1032","","","","","","1.053","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210012","22.665","0.005","9.956","0.005","7.442","0.005","90","","90","","90","","1679.3","1.5","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(2-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0503","0.0367","","","0.0919","0.1004","","","","","","1.061","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210013","9.6359","0.0009","23.748","0.002","7.268","0.0006","90","","90","","90","","1663.2","0.3","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(4-fluorophenylcarbonate)'","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0508","0.0371","","","0.1015","0.1092","","","","","","1.049","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210014","14.8152","0.0019","9.6353","0.0018","7.0405","0.0009","90","","93.194","0.011","90","","1003.5","0.3","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C12 H18 N18 O6 -","- C12 H18 N18 O6 -","- C24 H36 N36 O12 -","2","0.25","","Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.","The structure of the melamine‒cyanuric acid co-crystal","CrystEngComm","2013","15","29","5838","","10.1039/c3ce40709h","","","0.71073","MoKα","","0.0727","0.0353","","","0.0898","0.1047","","","","","","0.957","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210015","7.007","0.0014","11.224","0.002","16.95","0.003","90","","91.95","0.03","90","","1332.3","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0879","0.0776","","","0.1913","0.2","","","","","","1.2","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210016","6.8143","0.0014","22.419","0.005","8.8759","0.0018","90","","101.85","0.03","90","","1327.1","0.5","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","2","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0565","0.053","","","0.1358","0.1402","","","","","","1.052","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210017","7.8906","0.0016","8.703","0.0017","12.517","0.003","90","","97.84","0.03","90","","851.5","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0526","0.0502","","","0.1207","0.1229","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210018","3.7036","0.0007","7.8401","0.0016","29.573","0.006","90","","90.63","0.03","90","","858.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0749","0.0671","","","0.1879","0.2067","","","","","","1.164","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210019","5.0595","0.001","17.246","0.003","19.056","0.004","90","","97.25","0.03","90","","1649.5","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0602","0.0589","","","0.1548","0.1595","","","","","","1.184","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210020","5.1175","0.001","17.467","0.004","18.763","0.004","90","","96.71","0.03","90","","1665.7","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C64 H76 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0474","0.0461","","","0.1217","0.1231","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210024","8.2221","0.0001","11.5994","0.0002","31.6633","0.0004","90","","90","","90","","3019.77","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H7 Ag F7 N3 O3 -","- C13 H7 Ag F7 N3 O3 -","- C104 H56 Ag8 F56 N24 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0444","0.0286","","","0.0693","0.0743","","","","","","1.07","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210025","25.2591","0.0008","10.5671","0.0003","15.034","0.0005","90","","103.597","0.0018","90","","3900.3","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Ag F7 N3 O5 S -","- C14 H13 Ag F7 N3 O5 S -","- C112 H104 Ag8 F56 N24 O40 S8 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0455","0.0342","","","0.0869","0.095","","","","","","1.061","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210026","7.3177","0.0001","12.7615","0.0001","29.9513","0.0004","90","","90","","90","","2797","0.06","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Ag Cl F4 N3 O5 -","- C11 H7 Ag Cl F4 N3 O5 -","- C88 H56 Ag8 Cl8 F32 N24 O40 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0209","0.0187","","","0.0457","0.0466","","","","","","1.094","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210027","18.417","0.007","6.399","0.0008","11.262","0.004","90","","95.79","0.03","90","","1320.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Ag F4 N4 O4 -","- C11 H7 Ag F4 N4 O4 -","- C44 H28 Ag4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0285","0.0233","","","0.0567","0.0597","","","","","","1.047","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210028","7.4891","0.0019","13.333","0.002","51.316","0.008","90","","90","","90","","5124","1.7","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 F4 N4 -","- C12 H10 F4 N4 -","- C192 H160 F64 N64 -","16","0.5","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0617","0.0416","","","0.0968","0.1067","","","","","","1.109","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210029","28.875","0.008","6.4421","0.0002","20.64","0.004","90","","121.264","0.012","90","","3281.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F7 N4 O2 -","- C14 H10 Ag F7 N4 O2 -","- C112 H80 Ag8 F56 N32 O16 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0384","","","0.0794","0.0903","","","","","","1.031","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210030","13.6509","0.0005","10.3996","0.0003","15.5497","0.0006","90","","110.888","0.0019","90","","2062.42","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Ag F7 N4 O4 S -","- C15 H16 Ag F7 N4 O4 S -","- C60 H64 Ag4 F28 N16 O16 S4 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0501","0.0317","","","0.0715","0.0774","","","","","","1.013","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210031","6.4222","0.0001","16.1283","0.0003","14.7568","0.0003","90","","101.449","0.0013","90","","1498.08","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag Cl F4 N4 O4 -","- C12 H10 Ag Cl F4 N4 O4 -","- C48 H40 Ag4 Cl4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0505","0.0315","","","0.0667","0.0718","","","","","","1.018","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210032","6.3287","0.0001","25.1946","0.0008","9.113","0.0003","90","","100.591","0.0017","90","","1428.3","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C48 H40 Ag4 F16 N20 O12 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0389","0.0267","","","0.0564","0.0597","","","","","","1.086","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210033","7.8308","0.0003","31.6394","0.0014","12.6258","0.0005","90","","102.043","0.003","90","","3059.3","0.2","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C96 H80 Ag8 F32 N40 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0336","","","0.0792","0.0876","","","","","","0.992","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210034","12.643","0.003","6.0744","0.0016","31.164","0.009","90","","101.399","0.005","90","","2346.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0687","0.0411","","","0.0985","0.1136","","","","","","1.017","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210035","10.01","0.002","6.179","0.0013","12.767","0.003","90","","107.203","0.003","90","","754.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C36 H32 F2 N2 O4 -","2","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0388","0.0374","","","0.0915","0.0927","","","","","","1.059","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210036","12.742","0.003","6.0989","0.0013","30.926","0.007","90","","101.313","0.003","90","","2356.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0558","0.0479","","","0.1341","0.1409","","","","","","1.09","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210037","6.3741","0.0012","8.417","0.0015","27.401","0.005","90","","90","","90","","1470.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C72 H64 F4 N4 O8 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0438","0.0407","","","0.1081","0.1101","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210038","13.5941","0.0012","14.3621","0.0012","14.2561","0.0012","90","","96.141","0.002","90","","2767.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bpene","","","- C24 H25 N7 Ni2 O3 S -","- C21 H18.5 N6.5 Ni2 O2.99 S -","- C84 H74 N26 Ni8 O11.96 S4 -","4","1","","Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.","Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]","CrystEngComm","2013","15","23","4684","","10.1039/c3ce00017f","","","0.41328","","","0.1485","0.0448","","","0.0951","0.1064","","","","","","0.928","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210039","10.2891","0.0012","28.065","0.003","7.9247","0.0009","90","","90.885","0.002","90","","2288.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole hydrochloride salt","Aripiprazole hydrochloride salt","","- C23 H28 Cl3 N3 O2 -","- C23 H28 Cl3 N3 O2 -","- C92 H112 Cl12 N12 O8 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0756","0.0627","","","0.142","0.1504","","","","","","1.101","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210040","14.9688","0.001","9.9536","0.0006","20.9154","0.0014","90","","108.004","0.001","90","","2963.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole benzoate monohydrate","Aripiprazole benzoate monohydrate","","- C30 H35 Cl2 N3 O5 -","- C30 H35 Cl2 N3 O5 -","- C120 H140 Cl8 N12 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0433","0.0372","","","0.1015","0.1079","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210041","15.1552","0.0008","9.5732","0.0005","21.5283","0.0011","90","","103.887","0.001","90","","3032.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,4-dihydoxybenzoate","Aripiprazole-2,4-dihydoxybenzoate","","- C30 H33 Cl2 N3 O6 -","- C30 H33 Cl2 N3 O6 -","- C120 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0581","0.0524","","","0.1613","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210042","30.4165","0.0019","9.7801","0.0006","20.5636","0.0013","90","","105.319","0.001","90","","5899.8","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","","- C30 H34 Cl2 N3 O6.5 -","- C30 H34 Cl2 N3 O6.5 -","- C240 H272 Cl16 N24 O52 -","8","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.075","0.06","","","0.1514","0.1651","","","","","","1.056","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210043","14.4399","0.0008","14.5184","0.0008","15.3895","0.001","97.541","0.005","112.786","0.006","107.054","0.005","2731.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cu4 N20 O31 -","- C40 H26 Cu4 N20 O31 -","- C80 H52 Cu8 N40 O62 -","2","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0552","0.0322","","","0.0687","0.0714","","","","","","0.862","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210044","15.7724","0.0003","21.0412","0.0005","16.7687","0.0005","90","","96.915","0.002","90","","5524.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Cu4 N20 O29 -","- C42 H28 Cu4 N20 O29 -","- C168 H112 Cu16 N80 O116 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0933","0.0425","","","0.0591","0.0618","","","","","","1.011","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210045","16.836","0.0004","21.2727","0.0004","15.8167","0.0004","90","","90","","90","","5664.7","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H18 Cu2 N10 O15 -","- C22 H18 Cu2 N10 O15 -","- C176 H144 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0569","0.0298","","","0.0593","0.0623","","","","","","0.823","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210046","16.2118","0.0004","16.2381","0.0003","22.4507","0.0005","90","","90","","90","","5910.1","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cu2 N10 O15 -","- C23 H20 Cu2 N10 O15 -","- C184 H160 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0668","0.0338","","","0.0533","0.055","","","","","","0.989","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210047","23.5968","0.0008","20.9087","0.001","14.5568","0.0004","90","","98.621","0.003","90","","7100.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Cu5 N20 O34 -","- C46 H40 Cu5 N20 O34.04 -","- C184 H160 Cu20 N80 O136.16 -","4","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.09","0.0552","","","0.1438","0.1678","","","","","","1.021","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210048","14.3577","0.0003","14.3577","0.0003","41.3854","0.0019","90","","90","","90","","8531.3","0.5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H18 Cu N8 O7 -","- C17 H10 Cu N8 O7 -","- C272 H160 Cu16 N128 O112 -","16","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.1146","0.0885","","","0.1858","0.1996","","","","","","1.137","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210049","13.9645","0.0001","13.9645","0.0001","35.2304","0.0005","90","","90","","90","","6870.18","0.12","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H28 Cu2 N10 O14 -","- C28 H28 Cu2 N10 O14 -","- C224 H224 Cu16 N80 O112 -","8","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","1.54184","CuKα","","0.073","0.0603","","","0.1571","0.1712","","","","","","0.981","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210050","5.0173","0.0002","19.7139","0.0007","21.1911","0.0007","90","","90.675","0.003","90","","2095.88","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N8 O7.5 -","- C19 H14 Cu N8 O7.5 -","- C76 H56 Cu4 N32 O30 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0583","0.0403","","","0.0831","0.0896","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210051","4.8279","0.0002","10.5174","0.0004","13.4622","0.0004","103.093","0.003","98.068","0.003","92.034","0.003","657.6","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0178","0.0166","","","0.0403","0.0405","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210052","11.9076","0.0004","11.9605","0.0004","12.866","0.0004","93.78","0.003","90.696","0.003","110.675","0.003","1709.42","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0498","0.0349","","","0.0747","0.0771","","","","","","0.92","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210053","13.616","0.0002","13.616","0.0002","42.9496","0.0015","90","","90","","90","","7962.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H56 Cd4 N32 O32 -","- C60 H56 Cd4 N32 O32 -","- C240 H224 Cd16 N128 O128 -","4","0.25","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0731","0.0567","","","0.1425","0.1475","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210054","8.9442","0.0018","9.2624","0.0019","16.481","0.003","94.62","0.03","97.63","0.03","104.75","0.03","1299.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","1","0.5","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0773","0.0691","","","0.1807","0.1866","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210055","15.064","0.003","16.143","0.003","10.759","0.002","90","","100.26","0.03","90","","2574.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","1","0.125","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0696","0.0513","","","0.1145","0.1227","","","","","","1.083","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210056","14.1443","0.0015","14.3491","0.0015","15.0776","0.0016","109.334","0.005","105.904","0.005","99.933","0.005","2657.6","0.5","210","2","210","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C116 H64 F16 I8 N8 -","2","2","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.1804","0.0874","","","0.1678","0.2062","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210057","14.4076","0.0015","16.0078","0.0017","22.228","0.003","90","","93.266","0.005","90","","5118.2","1","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C232 H128 F32 I16 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0512","0.0341","","","0.0708","0.0779","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210058","13.137","0.0014","9.4089","0.001","34.762","0.004","90","","91.436","0.005","90","","4295.4","0.8","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F4 I2 N4 -","- C52 H32 F4 I2 N4 -","- C208 H128 F16 I8 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0551","0.0431","","","0.1141","0.1236","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210059","14.8991","0.0011","16.8272","0.0012","22.2685","0.0017","73.868","0.004","74.7","0.004","66.883","0.003","4856.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H147 Mn Mo6 N10 O26 -","- C72 H147 Mn Mo6 N9.65 O26 -","- C144 H294 Mn2 Mo12 N19.3 O52 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0385","0.0287","","","0.0677","0.075","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210060","18.0293","0.0007","20.8575","0.0008","26.7597","0.0011","90","","90","","90","","10062.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C79 H153 Mn Mo6 N8 O29 -","- C69.3 H128.5 Mn Mo6 N7.1 O28.4 -","- C277.2 H514 Mn4 Mo24 N28.4 O113.6 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1592","0.0823","","","0.1817","0.2247","","","","","","1.056","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210061","28.3641","0.0005","23.7876","0.0005","15.0216","0.0003","90","","90","","90","","10135.3","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H138 Mn Mo6 N7 O30 -","- C68 H136 Mn Mo6 N7 O30 -","- C272 H544 Mn4 Mo24 N28 O120 -","4","0.5","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0673","0.0482","","","0.1211","0.1302","","","","","","1.065","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210062","14.9246","0.0008","17.3492","0.001","20.5931","0.0011","77.925","0.004","78.223","0.003","74.076","0.003","4952.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H151 Mn Mo6 N10 O30 -","- C76 H133 Mn Mo6 N10 O30 -","- C152 H266 Mn2 Mo12 N20 O60 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1347","0.0831","","","0.1661","0.1891","","","","","","1.095","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210063","17.8569","0.0002","27.1013","0.0003","21.2905","0.0002","90","","90.111","0.001","90","","10303.4","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H161 Mn Mo6 N8 O33 -","- C75.2 H156.6 Mn Mo6 N7.5 O32.5 -","- C300.8 H626.4 Mn4 Mo24 N30 O130 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0553","0.0375","","","0.0891","0.0998","","","","","","1.037","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210064","17.24","0.0006","27.204","0.0011","20.4735","0.0008","90","","91.794","0.002","90","","9597.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H146 Mn Mo6 N7 O30 -","- C72 H146 Mn Mo6 N7 O30 -","- C288 H584 Mn4 Mo24 N28 O120 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.127","0.0551","","","0.0985","0.1263","","","","","","1.006","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210065","23.8498","0.0006","14.573","0.0003","15.4775","0.0004","90","","90","","90","","5379.4","0.2","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C78 H146 Mn Mo6 N7 O32 -","- C57 H14 Mn Mo6 N6.6 O32 -","- C114 H28 Mn2 Mo12 N13.2 O64 -","2","0.25","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0812","0.0672","","","0.2065","0.2248","","","","","","1.086","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210066","23.5808","0.0003","24.7645","0.0003","29.9716","0.0004","100.967","0.002","103.918","0.002","93.897","0.002","16559.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C143 H219 Mn Mo6 N10 O37 -","- C138.5 H201.1 Mn Mo6 N8.6 O36.65 -","- C554 H804.4 Mn4 Mo24 N34.4 O146.6 -","4","2","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1114","0.0497","","","0.1622","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210067","7.1512","0.00005","7.1512","0.00005","11.963","0.00011","90","","90","","120","","529.82","0.007","120","0.1","120","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0118","0.0111","","","0.0282","0.0283","","","","","","1.418","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210068","7.1641","0.00017","7.1641","0.00017","12.0317","0.0003","90","","90","","120","","534.79","0.02","150","0.1","150","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0212","0.0198","","","0.0516","0.0523","","","","","","1.205","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210069","7.17619","0.00014","7.17619","0.00014","12.1229","0.0003","90","","90","","120","","540.66","0.02","200","0.1","200","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0186","0.0167","","","0.0441","0.0447","","","","","","1.259","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210070","7.18791","0.00013","7.18791","0.00013","12.229","0.0003","90","","90","","120","","547.176","0.019","250","0.1","250","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0185","0.0155","","","0.0395","0.0404","","","","","","1.257","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210071","7.19508","0.00011","7.19508","0.00011","12.2986","0.0003","90","","90","","120","","551.388","0.018","280","0.1","280","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0192","0.0161","","","0.0421","0.043","","","","","","1.195","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210072","7.20163","0.00011","7.20163","0.00011","12.3501","0.0003","90","","90","","120","","554.706","0.018","300","0.1","300","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0203","0.0169","","","0.0407","0.0416","","","","","","1.186","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210073","7.20634","0.00014","7.20634","0.00014","12.402","0.0004","90","","90","","120","","557.77","0.02","320","0.1","320","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0228","0.0187","","","0.0431","0.0443","","","","","","1.219","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210074","7.21109","0.00019","7.21109","0.00019","12.461","0.0005","90","","90","","120","","561.16","0.03","340","0.1","340","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0254","0.0206","","","0.0479","0.0493","","","","","","1.183","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210075","5.23783","0.00009","7.54922","0.00014","6.98292","0.00013","90","","96.7315","0.0017","90","","274.212","0.009","360","0.1","360","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C2 H12 I2 N6 -","2","0.5","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0259","0.0232","","","0.0563","0.0583","","","","","","1.089","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210076","9.189","0.003","16.271","0.006","19.01","0.007","114.021","0.005","98.024","0.005","94.551","0.006","2541.4","1.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N10 O12 S4 -","- C46 H54 N10 O12 S4 -","- C92 H108 N20 O24 S8 -","2","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1457","0.0892","","","0.1754","0.1987","","","","","","1.128","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210077","12.501","0.006","19.167","0.009","16.971","0.006","90","","120.12","0.02","90","","3517","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H102 N12 O12 S -","- C70 H102 N12 O12 S -","- C140 H204 N24 O24 S2 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1885","0.1266","","","0.2498","0.2759","","","","","","1.196","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210078","9.538","0.012","13.957","0.017","22","0.03","94.69","0.015","100.617","0.017","99.018","0.016","2824","6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1487","0.079","","","0.1506","0.1768","","","","","","1.122","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210079","27.889","0.004","16.427","0.002","24.753","0.003","90","","98.54","0.002","90","","11214","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C408 H696 N56 O64 S8 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1931","0.104","","","0.1741","0.199","","","","","","1.002","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210080","12.43","0.005","14.615","0.006","21.187","0.009","90","","97.784","0.006","90","","3813","3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 N12 O12 -","- C74 H98 N12 O12 -","- C148 H196 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1552","0.0827","","","0.165","0.1952","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210081","8.627","0.003","35.844","0.011","13.66","0.004","90","","102.017","0.004","90","","4131","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 N12 O12 -","- C84 H112 N12 O12 -","- C168 H224 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1293","0.0837","","","0.1944","0.2225","","","","","","1.063","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210082","23.764","0.005","17.225","0.004","20.791","0.005","90","","113.214","0.003","90","","7821","3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H106 N12 O12 -","- C78 H106 N12 O12 -","- C312 H424 N48 O48 -","4","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.2458","0.1378","","","0.1693","0.1925","","","","","","1.172","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210083","41.951","0.007","8.8842","0.0015","19.048","0.003","90","","99.546","0.002","90","","7001","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H102 Cl2 N12 O8 -","- C70 H102 Cl2 N12 O8 -","- C280 H408 Cl8 N48 O32 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0616","0.054","","","0.1511","0.16","","","","","","1.033","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210084","8.9484","0.0019","9.473","0.002","21.594","0.005","83.826","0.003","84.847","0.002","80.815","0.003","1791.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0606","0.0479","","","0.1412","0.1615","","","","","","1.13","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210085","17.8097","0.0008","7.9282","0.0004","25.8018","0.0009","90","","119.499","0.002","90","","3170.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C124 H152 N40 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0653","0.0439","","","0.1171","0.1364","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210086","7.468","0.0006","13.8016","0.0011","16.2856","0.0013","73.334","0.001","83.171","0.001","82.666","0.001","1588.9","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C62 H76 N20 O12 -","2","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0405","0.0363","","","0.104","0.1083","","","","","","1.04","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210087","11.399","0.0004","15.5354","0.0005","9.2351","0.0003","90","","109.568","0.004","90","","1540.97","0.1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","MoKα","","0.0802","0.044","","0.1142","0.0885","0.1136","","","","","","0.97","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210088","10.353","0.0003","12.3146","0.0003","9.4233","0.0002","90","","90","","90","","1201.41","0.05","173.1","","173.1","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","0.5","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","","","0.054","0.0395","","0.1093","0.0947","0.1093","","","","","","0.9727","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210089","4.537803","","19.75839","","19.85653","","90","","95.3888","","90","","1772.46","","","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","2","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","powder diffraction","","1.541","X-rays","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7210090","29.5404","0.0012","29.5404","0.0012","14.9218","0.0012","90","","90","","120","","11276.8","1.1","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Ce N2 Na0.33 O10 -","- C50 H32 Ce N2 Na0.333333 O10 -","- C450 H288 Ce9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0412","0.0332","","","0.0984","0.1073","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210091","22.264","0.012","28.623","0.016","29.104","0.015","90","","90","","90","","18547","17","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 Eu N3 O7 -","- C24 H14 Eu N3 O7 -","- C768 H448 Eu32 N96 O224 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0459","0.0359","","","0.1287","0.1336","","","","","","0.996","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210092","29.6966","0.0013","29.6966","0.0013","14.9618","0.0012","90","","90","","120","","11426.9","1.2","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Gd N2 Na0.33 O10 -","- C50 H32 Gd N2 Na0.333333 O10 -","- C450 H288 Gd9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.1196","0.0732","","","0.2235","0.2671","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210093","29.5657","0.0012","29.5657","0.0012","14.8222","0.0011","90","","90","","120","","11220.7","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 N2 Na0.33 O10 Pr -","- C50 H30.66 N2 Na0.333333 O10 Pr -","- C450 H275.94 N18 Na3 O90 Pr9 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0422","0.036","","","0.1006","0.1058","","","","","","1","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210094","22.304","0.003","28.721","0.004","29.158","0.004","90","","90","","90","","18678","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 N3 O7 Sm -","- C24 H12 N3 O7 Sm -","- C768 H384 N96 O224 Sm32 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0512","0.0403","","","0.1308","0.1373","","","","","","0.997","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210095","6.1029","0.001","21.056","0.003","6.3665","0.0009","90","","100.526","0.016","90","","804.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Ni O2 S4 -","- C12 H18 Ni O2 S4 -","- C24 H36 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1005","0.0626","","","0.1343","0.166","","","","","","1.01","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210096","6.1216","0.0011","10.3788","0.0016","10.7918","0.0009","78.834","0.011","76.312","0.012","83.671","0.013","652.08","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0897","0.0575","","","0.1549","0.1758","","","","","","0.968","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210097","6.2494","0.0004","6.9702","0.0005","15.3641","0.0013","80.996","0.006","82.99","0.006","89.46","0.005","656.03","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0877","0.0569","","","0.1374","0.1526","","","","","","0.997","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210098","17.2196","0.0009","5.8144","0.0003","13.3549","0.0006","90","","98.728","0.005","90","","1321.63","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Ni O2 S4 -","- C30 H22 Ni O2 S4 -","- C60 H44 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.109","0.0586","","","0.1199","0.1413","","","","","","1.004","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210099","6.414","0.0006","7.9477","0.0008","14.5825","0.0013","98.677","0.008","97.771","0.008","106.057","0.009","693.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1713","0.0669","","","0.0965","0.1239","","","","","","0.903","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210100","6.4456","0.0014","10.11","0.002","11.407","0.003","76","0.019","80.634","0.019","73.41","0.02","687.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1379","0.0867","","","0.2541","0.2835","","","","","","1.132","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210101","15.916","0.003","19.127","0.004","8.2011","0.0016","90","","90","","90","","2496.6","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H8 Cd N10 O2 -","- C6 H8 Cd N10 O2 -","- C48 H64 Cd8 N80 O16 -","8","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0199","0.0196","","","0.0476","0.0481","","","","","","1.154","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210102","17.665","0.003","10.105","0.002","7.1333","0.0014","90","","91.73","0.03","90","","1272.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N10 O3 Zn -","- C6 H8 N10 O3 Zn -","- C24 H32 N40 O12 Zn4 -","4","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0321","0.0309","","","0.0787","0.0794","","","","","","1.138","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210103","7.0989","0.0014","9.0946","0.0018","8.1688","0.0016","90","","102.65","0.03","90","","514.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cu N10 O2 -","- C6 H8 Cu N10 O2 -","- C12 H16 Cu2 N20 O4 -","2","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0377","0.0352","","","0.0838","0.0851","","","","","","1.156","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210104","9.3707","0.0019","12.181","0.002","9.1857","0.0018","90","","90","","90","","1048.5","0.3","113","2","113","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H8 Mn N10 O2 -","- C6 H8 Mn N10 O2 -","- C24 H32 Mn4 N40 O8 -","4","","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0731","0.0705","","","0.1862","0.1888","","","","","","1.303","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210105","9.4928","0.0019","18.587","0.004","8.9107","0.0018","90","","115.98","0.03","90","","1413.3","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Cd N10 O2 -","- C8 H12 Cd N10 O2 -","- C32 H48 Cd4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0231","0.0228","","","0.048","0.0481","","","","","","1.035","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210106","9.811","0.002","18.035","0.004","8.8072","0.0018","90","","117.44","0.03","90","","1383","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Mn N10 O2 -","- C8 H12 Mn N10 O2 -","- C32 H48 Mn4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.079","0.0747","","","0.1766","0.1809","","","","","","1.129","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210107","22.1366","0.0006","10.4274","0.0003","10.7186","0.0003","90","","90","","90","","2474.14","0.12","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C96 H112 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.054","0.039","","","0.085","0.092","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210108","10.057","0.003","17.51","0.004","14.102","0.004","90","","95.722","0.003","90","","2471","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N4 O2 -","- C12 H13 F N4 O2 -","- C96 H104 F8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6911","synchrotron","","0.081","0.064","","","0.174","0.187","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210109","12.6207","0.0007","9.8187","0.0005","11.0587","0.0007","90","","105.846","0.003","90","","1318.31","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N4 O2 -","- C12 H13 Cl N4 O2 -","- C48 H52 Cl4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.08","0.047","","","0.117","0.134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210110","12.7435","0.0003","9.9927","0.0002","11.115","0.0003","90","","105.305","0.0013","90","","1365.21","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N4 O2 -","- C12 H13 Br N4 O2 -","- C48 H52 Br4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.041","0.028","","","0.066","0.071","","","","","","1.02","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210111","11.033","0.002","10.411","0.002","24.957","0.005","90","","90","","90","","2866.7","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H13 I N4 O2 -","- C12 H13 I N4 O2 -","- C96 H104 I8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","synchrotron","","0.05","0.036","","","0.074","0.079","","","","","","1.01","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210112","8.965","0.004","9.911","0.004","15.067","0.007","90","","96.587","0.014","90","","1329.9","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.066","0.056","","","0.123","0.129","","","","","","1.17","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210113","10.1622","0.0019","17.127","0.003","15.487","0.003","90","","92.476","0.007","90","","2693","0.9","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C96 H104 N40 O32 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.088","0.07","","","0.15","0.159","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210114","7.2818","0.0011","11.242","0.003","16.916","0.004","87.87","0.02","88.86","0.04","88.29","0.02","1383","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl2 N4 O2 -","- C12 H12 Cl2 N4 O2 -","- C48 H48 Cl8 N16 O8 -","4","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","Synchrotron","","0.059","0.051","","","0.131","0.136","","","","","","1.11","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210115","20.769","0.002","11.6795","0.0012","20.382","0.002","90","","105.572","0.001","90","","4762.6","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd F3 N3 O5.5 -","- C24 H19 Cd F3 N3 O5.5 -","- C192 H152 Cd8 F24 N24 O44 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0469","0.0407","","","0.1053","0.1098","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210116","20.75","0.004","11.66","0.002","20.045","0.004","90","","105.057","0.002","90","","4683.3","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 Cd F3 N3 O4 -","- C24 H15 Cd F3 N3 O4 -","- C192 H120 Cd8 F24 N24 O32 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0594","0.0409","","","0.0925","0.1026","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210117","27.5676","0.0009","27.5676","0.0009","14.3113","0.001","90","","90","","90","","10876.2","0.9","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 Co2 F6 N6 O10 -","- C57 H51 Co2 F6 N6 O10 -","- C456 H408 Co16 F48 N48 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0783","0.0465","","","0.0806","0.0877","","","","","","1.009","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210118","27.4279","0.0014","27.4279","0.0014","14.309","0.0019","90","","90","","90","","10764.5","1.6","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 F6 N6 Ni2 O10 -","- C57 H51 F6 N6 Ni2 O10 -","- C456 H408 F48 N48 Ni16 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1227","0.0619","","","0.1161","0.1404","","","","","","1.031","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210119","13.023","0.016","10.525","0.013","14.555","0.019","90","","95.706","0.015","90","","1985","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cu F3 N2 O4 -","- C21 H15 Cu F3 N2 O4 -","- C84 H60 Cu4 F12 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1948","0.0745","","","0.1424","0.1871","","","","","","1.005","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210120","13.567","0.003","11.779","0.002","11.206","0.002","90","","90","","90","","1790.8","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cu F4 N2 O4 -","- C20 H10 Cu F4 N2 O4 -","- C80 H40 Cu4 F16 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0413","0.0301","","","0.0563","0.0609","","","","","","1.049","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210121","14.162","0.003","13.601","0.003","10.898","0.002","90","","90","","90","","2099.1","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cl4 Cu N2 O4 -","- C20 H10 Cl4 Cu N2 O4 -","- C80 H40 Cl16 Cu4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0291","0.0239","","","0.054","0.0565","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210122","11.302","0.005","11.733","0.005","19.506","0.005","105.608","0.005","101.952","0.005","98.351","0.005","2381.2","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O20 Zn4 -","- C38 H48 N2 O20 Zn4 -","- C76 H96 N4 O40 Zn8 -","2","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71069","MoKα","","0.0889","0.0491","","","0.1211","0.1375","","","","","","0.907","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210123","29.662","0.001","11.265","0.005","21.545","0.002","90","","130.711","0.001","90","","5457","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N O9 Zn2 -","- C27 H26 N O9 Zn2 -","- C216 H208 N8 O72 Zn16 -","8","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71073","MoKα","","0.0415","0.0328","","","0.0891","0.0939","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210124","9.7785","0.0008","11.6587","0.0009","12.0337","0.0009","117.425","0.001","90.111","0.001","110.357","0.001","1119.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0359","0.0343","","","0.0969","0.0982","","","","","","1.125","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210125","11.8266","0.0008","13.3267","0.0009","15.1283","0.0007","90","","125.293","0.003","90","","1946.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Co2 Mo8 N2 O38 -","- C10 H18 Co2 Mo8 N2 O38 -","- C20 H36 Co4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0765","0.0745","","","0.2061","0.207","","","","","","1.374","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210126","11.4202","0.0003","12.6946","0.0003","15.3512","0.0004","90","","117.669","0.002","90","","1971.04","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Cu2 Mo8 N2 O38 -","- C10 H16 Cu2 Mo8 N2 O38 -","- C20 H32 Cu4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0417","0.041","","","0.1064","0.1067","","","","","","1.428","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210127","9.4918","0.0009","9.9627","0.0009","17.1173","0.0016","84.318","0.002","83.069","0.002","72.651","0.002","1530.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H66 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.1105","0.1041","","","0.2077","0.2106","","","","","","1.301","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210128","11.8223","0.0008","13.3101","0.0009","15.1384","0.0008","90","","125.407","0.004","90","","1941.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Mo8 N2 O38 Zn2 -","- C10 H17 Mo8 N2 O38 Zn2 -","- C20 H34 Mo16 N4 O76 Zn4 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0847","0.0801","","","0.192","0.1935","","","","","","1.429","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210129","9.7735","0.0003","11.6942","0.0004","12.0719","0.0004","117.561","0.001","90.082","0.001","110.577","0.001","1122.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0357","0.0343","","","0.0895","0.0903","","","","","","1.153","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210130","6.6796","0.0004","21.6754","0.0014","9.7556","0.0007","90","","94.919","0.002","90","","1407.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1012","0.041","","","0.1067","0.1347","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210131","7.1644","0.0015","17.79","0.004","10.796","0.002","90","","96.59","0.005","90","","1366.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1505","0.062","","","0.1435","0.1871","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210132","6.814","0.0003","18.4539","0.0009","10.2513","0.0005","90","","95.17","0.001","90","","1283.8","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.0508","0.0404","","","0.1125","0.1203","","","","","","1.086","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210133","20.0583","0.0004","7.1698","0.0001","20.374","0.0004","90","","113.15","0.001","90","","2694.13","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","1.54178","CuKα","","0.0858","0.0504","","","0.1305","0.1765","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210134","6.8016","0.0006","12.5421","0.001","16.2644","0.0014","90","","93.012","0.002","90","","1385.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","0.5","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1183","0.0477","","","0.1177","0.1577","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210135","6.7183","0.0002","18.3065","0.0004","31.5007","0.0008","90","","90","","90","","3874.23","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Ge N3 O S6 Sb2 -","- C7 H21 Ge N3 O S6 Sb2 -","- C56 H168 Ge8 N24 O8 S48 Sb16 -","8","1","","Feng, Mei-Ling; Hu, Chun-Li; Wang, Kai-Yao; Du, Cheng-Feng; Huang, Xiao-Ying","[AEPH2][GeSb2S6]·CH3OH: a thiogermanate‒thioantimonate featuring an infinite ribbon-like structure with an unusual {GeSb3S11} unit and exhibiting the ability of photocatalytic degradation of organic dye","CrystEngComm","2013","15","25","5007","","10.1039/c3ce40143j","","","0.71073","MoKα","","0.0667","0.0384","","","0.06","0.0678","","","","","","1.015","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210136","8.4243","0.0014","12.227","0.002","13.193","0.002","96.96","0.002","93.427","0.002","101.28","0.002","1318","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C52 H64 N8 O12 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0443","0.037","","","0.115","0.125","","","","","","0.878","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210137","9.2028","0.0009","11.529","0.0012","11.7206","0.0012","93.341","0.001","99.526","0.001","102.804","0.001","1190.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O4 -","- C26 H28 N4 O4 -","- C52 H56 N8 O8 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0413","0.0358","","","0.1322","0.1398","","","","","","1.181","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210138","6.5584","0.0005","40.426","0.003","7.1631","0.0005","90","","97.589","0.001","90","","1882.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C80 H92 N12 O16 -","4","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.047","0.0411","","","0.1265","0.133","","","","","","0.878","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210139","8.835","0.003","10.724","0.003","15.174","0.004","91.638","0.004","100.515","0.004","106.191","0.004","1352.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N4 O5 -","- C30 H34 N4 O5 -","- C60 H68 N8 O10 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0715","0.0625","","","0.1653","0.1757","","","","","","1.053","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210140","11.241","0.002","9.006","0.0018","23.169","0.005","90","","94.8","0.03","90","","2337.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Sm -","- C18 H21 N4 O14 Sm -","- C72 H84 N16 O56 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0263","0.0231","","","0.0628","0.0644","","","","","","1.026","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210141","11.227","0.002","8.982","0.0018","23.119","0.005","90","","94.84","0.03","90","","2323","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Gd N4 O14 -","- C18 H21 Gd N4 O14 -","- C72 H84 Gd4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.032","0.0274","","","0.0906","0.0962","","","","","","0.797","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210142","11.185","0.002","8.957","0.0018","23.074","0.005","90","","94.7","0.03","90","","2303.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Tb -","- C18 H21 N4 O14 Tb -","- C72 H84 N16 O56 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0407","0.0339","","","0.1223","0.1314","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210143","11.196","0.008","8.962","0.006","23.138","0.016","90","","94.772","0.008","90","","2314","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Dy N4 O14 -","- C18 H21 Dy N4 O14 -","- C72 H84 Dy4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0417","0.0308","","","0.0695","0.0747","","","","","","0.972","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210144","6.5059","0.0006","9.8342","0.0008","10.9444","0.0009","99.882","0.007","106.505","0.007","106.19","0.007","620.36","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O9 Tb -","- C10 H10 N2 O9 Tb -","- C20 H20 N4 O18 Tb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0279","0.0264","","","0.0689","0.0698","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210145","6.482","0.002","9.848","0.003","10.907","0.004","100.004","0.003","106.484","0.003","106.293","0.003","616.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ho N2 O9 -","- C10 H10 Ho N2 O9 -","- C20 H20 Ho2 N4 O18 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0221","0.0212","","","0.0609","0.0614","","","","","","1.117","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210146","6.733","0.002","7.45","0.003","12.049","0.004","87.684","0.004","77.44","0.004","80.434","0.003","581.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Yb -","- C10 H8 N2 O8 Yb -","- C20 H16 N4 O16 Yb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0207","0.0194","","","0.0483","0.0489","","","","","","1.063","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210147","7.501","0.007","9.435","0.009","9.706","0.009","117.238","0.01","93.257","0.011","99.498","0.011","595.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Pr -","- C10 H8 N2 O8 Pr -","- C20 H16 N4 O16 Pr2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0359","0.0298","","","0.074","0.0782","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210148","20.6997","0.0018","5.805","0.0006","30.904","0.003","90","","104.387","0.006","90","","3597","0.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F N3 O2 S -","- C21 H14 F N3 O2 S -","- C168 H112 F8 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0746","0.0508","","","0.1116","0.1224","","","","","","1.032","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210149","20.5635","0.0007","5.8117","0.0002","32.1855","0.0011","90","","106.079","0.002","90","","3696","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 F2 N3 O2 S -","- C21 H13 F2 N3 O2 S -","- C168 H104 F16 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0628","0.0416","","","0.097","0.1063","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210150","8.2327","0.0016","8.8616","0.0017","13.577","0.003","87.741","0.012","85.797","0.01","73.758","0.01","948.2","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O2 S -","- C22 H16 F N3 O2 S -","- C44 H32 F2 N6 O4 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.1181","0.1412","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210151","8.4625","0.0004","8.7356","0.0004","13.4092","0.0006","86.664","0.003","82.318","0.003","74.281","0.003","945.39","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O3 S -","- C22 H16 F N3 O3 S -","- C44 H32 F2 N6 O6 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.0961","0.1104","","","","","","1.012","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210152","12.876","0.003","18.938","0.004","28.202","0.006","90","","90","","90","","6877","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H72 Cl N16 O40 V15 Zn4 -","- C16 H64 Cl N16 O40 V15 Zn4 -","- C64 H256 Cl4 N64 O160 V60 Zn16 -","4","1","","Zhou, Jian; Liu, Xing; Hu, Feilong; Chen, Rong; Zou, Huahong; Fu, Wensheng; Liang, Guoming; Chen, Yi","A novel 3-D chiral polyoxovanadate architecture based on breaking high symmetry of spherical [V15O36Cl]8− cluster","CrystEngComm","2013","15","23","4593","","10.1039/c3ce40280k","","","0.71073","MoKα","","0.0605","0.054","","","0.1528","0.1583","","","","","","1.059","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210153","3.8348","0.0009","12.718","0.003","14.067","0.003","90","","90","","90","","686.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.039","0.0354","","","0.089","0.0908","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210154","6.9109","0.0014","12.289","0.003","12.647","0.003","112.713","0.008","93.424","0.007","103.103","0.007","951.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0677","0.0603","","","0.1615","0.1647","","","","","","1.214","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210155","3.908","0.0006","23.78","0.004","11.839","0.002","90","","100.833","0.009","90","","1080.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C52 H44 N4 O12 -","2","0.5","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0524","0.0482","","","0.1259","0.136","","","","","","1.074","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210156","5.1396","0.0015","12.118","0.004","11.792","0.003","90","","112.482","0.011","90","","678.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-Difluorobenzamide","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0393","0.0355","","","0.0909","0.0934","","","","","","1.055","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210157","5.4942","0.0004","15.1735","0.001","10.498","0.0007","90","","101.707","0.001","90","","856.97","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0249","0.0241","","","0.0681","0.0688","","","","","","1.058","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210158","14.0366","0.001","10.7686","0.0007","11.8026","0.0008","90","","90","","90","","1784","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0514","0.0434","","","0.0951","0.0989","","","","","","1.091","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210159","5.5319","0.0005","15.2012","0.0015","10.6928","0.001","90","","104.581","0.002","90","","870.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0391","0.0372","","","0.0993","0.101","","","","","","1.069","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210160","5.4588","0.0004","15.0882","0.0012","10.8815","0.0009","90","","104.21","0.001","90","","868.82","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.03","0.0277","","","0.0714","0.0729","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210161","11.367","0.002","3.8092","0.0007","13.278","0.003","90","","112.892","0.003","90","","529.65","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-Aminopyridine 4-nitrophenol","3-Aminopyridine 4-nitrophenol","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C22 H22 N6 O6 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0579","0.0527","","","0.1347","0.1393","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210162","5.016","0.0004","21.6277","0.0016","15.7012","0.0013","90","","90.769","0.001","90","","1703.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","","- C16 H16 N6 O6 -","- C16 H16 N6 O6 -","- C64 H64 N24 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0362","0.0331","","","0.085","0.0891","","","","","","1.075","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210163","16.2454","0.0005","16.2454","0.0005","26.0964","0.0009","90","","90","","90","","6887.2","0.4","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C148 H108 Dy8 N12 O44 Si -","- C148 H108 Dy8 N12 O44 Si -","- C296 H216 Dy16 N24 O88 Si2 -","2","0.25","","She, Shi-Xiong; Zaworotko, Michael J.; Liu, Wei; Zhang, Zhu-Xiu; Li, Yahong","A unique μ8-silicate-bridged octametallic [Dy8SiO4] complex exhibiting slow magnetic relaxation","CrystEngComm","2013","15","25","5003","","10.1039/c3ce40295a","","","1.54178","CuKα","","0.0646","0.0457","","","0.1002","0.1098","","","","","","1.072","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210164","20.44","0.005","8.974","0.003","18.728","0.005","90","","95.099","0.005","90","","3421.7","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N2 O6 S Zn -","- C17 H15 N2 O6 S Zn -","- C136 H120 N16 O48 S8 Zn8 -","8","1","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0941","0.0688","","","0.1898","0.2076","","","","","","1.001","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210165","24.3069","0.0017","9.3535","0.0006","25.2396","0.0018","90","","101.62","0.001","90","","5620.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H45 Cd4 N6 O18 S2 -","- C57 H45 Cd4 N6 O18 S2 -","- C228 H180 Cd16 N24 O72 S8 -","4","0.5","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0611","0.0379","","","0.0774","0.0874","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210166","9.4493","0.0007","8.7865","0.0005","21.4735","0.0013","90","","113.836","0.005","90","","1630.8","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B14 N6 O26 -","- C8 H36 B14 N6 O26 -","- C16 H72 B28 N12 O52 -","2","0.5","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.1052","0.0896","","","0.2532","0.2735","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210167","10.066","0.003","10.325","0.003","14.786","0.005","90","","91.456","0.005","90","","1536.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H38 Al2 B10 N6 O24 -","- C8 H38 Al2 B10 N6 O24 -","- C16 H76 Al4 B20 N12 O48 -","2","1","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.0592","0.0509","","","0.1305","0.1603","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210168","12.548","0.002","5.2674","0.0009","27.842","0.005","90","","92.573","0.003","90","","1838.4","0.5","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1781","0.0796","","","0.1182","0.1427","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210169","5.9369","0.0007","18.358","0.002","16.6699","0.0018","90","","97.334","0.002","90","","1802","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1274","0.055","","","0.0818","0.0989","","","","","","0.952","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210170","13.2516","0.001","10.9285","0.0009","12.6302","0.001","90","","95.45","0.001","90","","1820.8","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","cis-Atovaquone","cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0513","0.0386","","","0.0994","0.1101","","","","","","1.036","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210171","5.9504","0.0007","12.4798","0.0015","12.9769","0.0016","107.582","0.002","100.95","0.002","103.635","0.002","856.55","0.18","292","2","292","2","","","","","","","see text","3","P -1","-P 1","2","","trans- 2-(4-tert-butylcyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C20 H15 O3 -","- C20 H15 O3 -","- C40 H30 O6 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1535","0.093","","","0.2532","0.2959","","","","","","0.959","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210172","14.401","0.003","5.3279","0.0009","17.393","0.003","90","","98.926","0.003","90","","1318.4","0.4","292","2","292","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2-cyclohexyl-3-hydroxynaphthalene-1,4-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.081","0.0489","","","0.1205","0.1395","","","","","","0.974","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210173","10.3671","0.0011","7.0515","0.0007","25.102","0.002","90","","99.777","0.002","90","","1808.4","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","trans -2-(4-(4-chlorophenyl)cyclohexyl)-3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C88 H72 Cl8 O8 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1457","0.0635","","","0.0893","0.1129","","","","","","1.034","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210174","5.977","0.0018","12.226","0.004","13.103","0.004","103.814","0.005","90.038","0.004","95.271","0.006","925.6","0.5","292","2","292","2","","","","","","","see text","4","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl) cyclohexyl) -3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C44 H36 Cl4 O4 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0859","0.0537","","","0.1361","0.1556","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210175","11.7512","0.0016","12.7998","0.0018","13.985","0.002","75.766","0.003","67.022","0.002","83.02","0.003","1876.4","0.5","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl)cyclohexyl)-3-nitronaphthalene-1,4-dione","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","2","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1346","0.0517","","","0.0892","0.1176","","","","","","0.945","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210176","10.6761","0.0016","10.7356","0.0016","11.9637","0.0018","69.991","0.002","77.562","0.002","60.8412","0.001","1123.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Dy N5 O12 -","- C16 H16 Cu Dy N5 O12 -","- C32 H32 Cu2 Dy2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.162","0.13","","","0.2726","0.2977","","","","","","1.261","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210177","10.7491","0.0016","10.7585","0.0016","11.8901","0.0018","70.146","0.002","78.016","0.002","61.03","0.001","1129.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Eu N5 O12 -","- C16 H16 Cu Eu N5 O12 -","- C32 H32 Cu2 Eu2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0318","0.0284","","","0.0751","0.078","","","","","","1.09","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210178","10.725","0.004","10.747","0.004","11.917","0.004","70.146","0.004","77.912","0.005","60.967","0.004","1127.9","0.7","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Gd N5 O12 -","- C16 H16 Cu Gd N5 O12 -","- C32 H32 Cu2 Gd2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0737","0.0575","","","0.1368","0.1488","","","","","","1.017","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210179","10.639","0.0016","10.6982","0.0016","11.9375","0.0018","70.078","0.002","77.61","0.002","60.7997","0.001","1113.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Ho N5 O12 -","- C16 H16 Cu Ho N5 O12 -","- C32 H32 Cu2 Ho2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0485","0.0434","","","0.1083","0.1125","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210180","10.672","0.0016","10.7194","0.0016","11.9351","0.0018","70.341","0.002","77.928","0.002","60.8544","0.001","1121.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu N5 O12 Tb -","- C16 H16 Cu N5 O12 Tb -","- C32 H32 Cu2 N10 O24 Tb2 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0453","0.0395","","","0.0958","0.1013","","","","","","1.064","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210181","11.17","0.003","12.706","0.003","18.955","0.005","84.055","0.004","86.911","0.004","72.887","0.004","2556.5","1.1","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Ag8 N24 O83 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","1","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.1393","0.11","","","0.2447","0.2538","","","","","","1.161","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210182","10.611","0.005","20.693","0.005","14.874","0.005","90","","129.67","0.02","90","","2513.9","1.7","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Ag4 N12 O40 P W12 -","- C16 H24 Ag4 N12 O40 P W12 -","- C32 H48 Ag8 N24 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71069","MoKα","","0.0745","0.051","","","0.1038","0.1134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210183","20.252","0.002","13.5088","0.0014","38.953","0.004","90","","105.07","","90","","10290.3","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H27 N6 O46 P W12 -","- C8 H12 N6 O40 P W12 -","- C64 H96 N48 O320 P8 W96 -","8","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0658","0.0398","","","0.0711","0.0731","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210184","13.3672","0.0011","24.45","0.002","12.1885","0.0011","90","","98.47","0.002","90","","3940.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Ag5 N24 O40 P W12 -","- C40 H64 Ag5 N24 O40 P W12 -","- C80 H128 Ag10 N48 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0769","0.0641","","","0.1416","0.1465","","","","","","1.105","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210185","6.5711","0.0002","7.2502","0.0002","19.0229","0.0005","90","","99.665","0.001","90","","893.42","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 I2 S6 -","- C11 H10 I2 S6 -","- C22 H20 I4 S12 -","2","1","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0373","0.026","","","0.0495","0.053","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210186","9.6986","0.0004","26.2429","0.0008","14.5803","0.0006","90","","90","","90","","3711","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Cl I4 S12 -","- C22 H20 Cl I4 S12 -","- C88 H80 Cl4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0831","0.0453","","","0.0717","0.0823","","","","","","1.043","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210187","9.6691","0.0004","26.5929","0.0006","14.676","0.0005","90","","90","","90","","3773.6","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Br I4 S12 -","- C22 H20 Br I4 S12 -","- C88 H80 Br4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0558","0.0294","","","0.0535","0.0614","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210188","7.213","0.003","7.213","0.003","13.987","0.01","90","","90","","90","","727.7","0.7","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B O8 P2 Pb Rb -","- B O8 P2 Pb Rb -","- B4 O32 P8 Pb4 Rb4 -","4","0.25","","Wang, Ying; Pan, Shilie; Zhang, Min; Han, Shujuan; Su, Xin; Dong, Lingyun","Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O8","CrystEngComm","2013","15","24","4956","","10.1039/c3ce40394g","","","0.71073","MoKα","","0.0333","0.0299","","","0.0737","0.0762","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210189","11.1835","0.0003","31.5719","0.0009","14.7373","0.0004","90","","91.632","0.001","90","","5201.4","0.2","78","2","78","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42.75 H32 Ag F6 N12.63 O8.37 P5 -","- C42.75 H32 Ag F6 N12.629 O8.373 P5 -","- C171 H128 Ag4 F24 N50.516 O33.492 P20 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.043","0.0378","","","0.0862","0.0904","","","","","","1.113","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210190","24.99","0.005","14.43","0.003","15.59","0.003","90","","90.7","0.03","90","","5621.4","1.9","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Ag2 F12 N12 O8 P6 -","- C40 H32 Ag2 F12 N12 O8 P6 -","- C160 H128 Ag8 F48 N48 O32 P24 -","4","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1566","0.0721","","","0.1638","0.1988","","","","","","1.042","","","","has coordinates,has disorder","278046","2022-09-21","15:45:42",""
"7210191","8.8673","0.0013","14.964","0.002","20.803","0.004","103.983","0.006","96.807","0.006","103.934","0.006","2553.6","0.7","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C84 H64 Ag4 F12 N24 O28 P8 S4 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1359","0.0784","","","0.1968","0.2259","","","","","","1.046","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210192","8.837","0.0018","12.822","0.003","13.162","0.003","110.32","0.03","91.58","0.03","92","0.03","1396.4","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","1","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.0302","0.0267","","","0.068","0.0697","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210193","36.803","0.002","7.3345","0.0004","27.2815","0.0016","90","","90","","90","","7364.1","0.7","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H60 Ag3 F18 N16 O8 P7 -","- C56 H60 Ag3 F18 N16 O8 P7 -","- C224 H240 Ag12 F72 N64 O32 P28 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1245","0.0676","","","0.14","0.1702","","","","","","1.012","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210194","14.9201","0.0012","17.413","0.0014","17.8452","0.0014","100.983","0.004","92.204","0.004","102.358","0.004","4430.7","0.6","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C120 H102 Ag8 F24 N32 O44 P8 S8 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1003","0.0507","","","0.1304","0.15","","","","","","0.965","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210195","27.618","0.003","27.618","0.003","27.618","0.003","90","","90","","90","","21066","4","296","2","296","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C12 H76 B18 Cu3 N9 O73.5 V12 -","- C12 H45 B18 Cu3 N9 O73.5 V12 -","- C96 H360 B144 Cu24 N72 O588 V96 -","8","0.166667","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1488","0.1888","","","","","","1.181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210196","14.083","0.003","17.226","0.003","18.264","0.006","90","","128.755","0.019","90","","3455.2","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H62 B18 N6 Na6 O73 V12 -","- C8 H40 B18 N6 Na6 O73 V12 -","- C16 H80 B36 N12 Na12 O146 V24 -","2","0.5","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0349","0.0313","","","0.0922","0.0953","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210197","11.333","0.0007","15.2656","0.001","15.6223","0.001","98.946","0.003","101.634","0.003","90.142","0.003","2613.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co4 N4 O37 -","- C44 H16 Co4 N4 O36.94 -","- C88 H32 Co8 N8 O73.88 -","2","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.1082","0.0603","","","0.1469","0.1703","","","","","","1.018","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210198","32.197","0.004","15.2214","0.0016","11.3816","0.0012","90","","90","","90","","5577.9","1.1","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","Co-bpy-mellitate","","","- C11 H11.5 Co N O9.27 -","- C11 H11 Co N O9.266 -","- C176 H176 Co16 N16 O148.256 -","16","","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0513","0.0353","","","0.0849","0.0927","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210199","19.986","0.003","11.382","0.002","15.228","0.004","90","","92.43","0.03","90","","3461","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-tpt-mel","","","- C30 H27 Co2 N6 O18.65 -","- C30 H24 Co2 N6 O18.646 -","- C120 H96 Co8 N24 O74.584 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0806","0.0486","","","0.1023","0.1177","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210200","12.8567","0.0003","8.9378","0.0002","16.0555","0.0004","90","","101.613","0.002","90","","1807.18","0.07","291","2","291.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 Cd2 O12 -","- C16 H12 Cd2 O12 -","- C64 H48 Cd8 O48 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.7107","MoKα","","0.0381","0.0301","","","0.0624","0.0661","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210201","10.1447","0.0007","13.8559","0.0009","26.1423","0.0017","90","","90","","90","","3674.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N4 O12 Pb2 -","- C32 H42 N4 O12 Pb2 -","- C128 H168 N16 O48 Pb8 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0303","0.0271","","","0.0666","0.068","","","","","","1.046","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210202","12.213","0.005","14.723","0.006","8.994","0.004","90","","108.105","0.004","90","","1537.2","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O8 Zn2 -","- C16 H6 O8 Zn2 -","- C64 H24 O32 Zn8 -","4","0.5","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0278","0.0222","","","0.0496","0.0518","","","","","","1.052","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210203","4.0678","0.0001","16.2705","0.0006","14.8387","0.0005","90","","96.127","0.002","90","","976.49","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis-(2-amino-5-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H16 Cl4 Cu I2 N4 O2 -","- C20 H32 Cl8 Cu2 I4 N8 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0221","0.0189","","","0.0423","0.0435","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210204","4.1214","0.0005","16.791","0.002","13.5186","0.0013","90","","92.598","0.01","90","","934.56","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(3-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H14 Cl4 Cu I2 N2 O2 -","- C10 H14 Cl4 Cu I2 N2 O2 -","- C20 H28 Cl8 Cu2 I4 N4 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0707","0.0458","","","0.0579","0.0636","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210205","8.1232","0.0003","8.9577","0.0004","13.9151","0.0007","79.998","0.002","78.419","0.001","85.351","0.002","975.73","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(5-amino-2-iodopyridinium) diaquotrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H15.2604 Cl4 Cu I2 N4 O2 -","- C20 H30.5208 Cl8 Cu2 I4 N8 O4 -","2","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0298","0.0234","","","0.0488","0.0511","","","","","","1.088","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210206","7.948","0.002","16.162","0.005","14.896","0.004","90","","95.18","0.004","90","","1905.7","0.9","163","2","163","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-5-bromopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Br2 Cl4 Cu N4 O2 -","- C10 H15.8368 Br2 Cl4 Cu N4 O2 -","- C40 H63.3472 Br8 Cl16 Cu4 N16 O8 -","4","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0363","0.0225","","","0.0492","0.0521","","","","","","0.942","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210207","11.2132","0.0008","15.3143","0.0011","19.9458","0.0015","90","","92.798","0.001","90","","3421.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Au2 Br4 O4 P2 S4 -","- C22 H28 Au2 Br4 O4 P2 S4 -","- C88 H112 Au8 Br16 O16 P8 S16 -","4","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","x-ray","0.71073","MoKα","","0.0469","0.0299","","","0.0617","0.0673","","","","","","1.019","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210208","26.7928","0.0018","26.7928","0.0018","54.09","0.004","90","","90","","90","","38829","5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C1072 H1376 Au96 Cl32 O192 P96 S192 -","16","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","","0.71073","MoKα","","0.059","0.0357","","","0.0911","0.1045","","","","","","1.061","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210209","12.85","0.002","14.293","0.003","18.304","0.003","77.112","0.003","85.209","0.003","69.054","0.003","3060.5","0.9","100","2","100","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C50 H32 Ag3 F18 N13 O12 S6 -","- C50 H32 Ag3 F18 N13 O12 S6 -","- C100 H64 Ag6 F36 N26 O24 S12 -","2","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.09","0.0498","","","0.0848","0.0924","","","","","","0.801","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210210","13.259","0.002","23.277","0.004","16.617","0.003","90","","110.187","0.003","90","","4813.5","1.4","100","2","100","2","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Ag2 Cl2 F12 N10 O8 S4 -","- C39 H28 Ag2 Cl2 F12 N10 O8 S4 -","- C156 H112 Ag8 Cl8 F48 N40 O32 S16 -","4","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.0747","0.0484","","","0.0922","0.0982","","","","","","0.957","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210211","18.812","0.0019","22.261","0.002","20.92","0.002","90","","110.691","0.002","90","","8195.7","1.4","100","2","100","2","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 Ag4 F24 N18 O16 S8 -","- C64 H42 Ag4 F24 N18 O16 S8 -","- C256 H168 Ag16 F96 N72 O64 S32 -","4","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.0754","0.0463","","","0.0866","0.1002","","","","","","0.901","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210212","20.635","0.007","22.481","0.007","13.652","0.005","90","","124.337","0.009","90","","5229","3","100","2","100","2","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 Ag F6 N6 O4 S2 -","- C23 H14 Ag F6 N6 O4 S2 -","- C184 H112 Ag8 F48 N48 O32 S16 -","8","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.1071","0.084","","","0.2025","0.2169","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210213","31.5","0.007","12.412","0.003","7.016","0.002","90","","90","","90","","2743.1","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,3-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0721","0.0642","","","0.1617","0.1686","","","","","","1.106","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210214","12.405","0.004","6.948","0.002","31.402","0.011","90","","90","","90","","2706.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,4-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.075","0.0685","","","0.1856","0.1904","","","","","","1.292","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210215","8.504","0.006","10.199","0.007","10.258","0.007","108.53","0.01","91.79","0.01","92.96","0.01","841.4","1","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Isophthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1127","0.0594","","","0.1387","0.1886","","","","","","0.973","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210216","7.162","0.002","10.042","0.002","12.835","0.003","68.27","0.01","85.45","0.01","71.46","0.01","812.2","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Phthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1222","0.0639","","","0.1624","0.2119","","","","","","1.012","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210217","9.821","0.003","7.135","0.002","12.126","0.002","90","","116.6","0.02","90","","759.8","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2,4-Diamino-6-phenyl-1,3,5-triazine+benzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C32 H30 N10 O4 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0931","0.0869","","","0.2169","0.2213","","","","","","1.576","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210218","29.943","0.001","7.007","0.002","12.152","0.004","90","","107.78","0.01","90","","2427.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-phenyl-1,3,5-triazine+terephthalic acid","","- C26 H24 N10 O4 -","- C26 H24 N10 O4 -","- C104 H96 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1085","0.0871","","","0.2998","0.3098","","","","","","2.037","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210219","13.777","0.004","12.017","0.003","18.451","0.005","90","","101.02","0.004","90","","2998.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N4 O16 -","- C26 H28 Cd2 N4 O16 -","- C104 H112 Cd8 N16 O64 -","4","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0226","0.021","","","0.0825","0.0836","","","","","","1.219","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210220","11.949","0.002","16.406","0.003","12.63","0.002","90","","117.449","0.002","90","","2197.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O6 Zn -","- C25 H18 N4 O6 Zn -","- C100 H72 N16 O24 Zn4 -","4","1","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0932","","","","","","1.047","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210221","16.82","0.005","16.82","0.005","18.022","0.006","90","","90","","90","","5099","3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H22 N4 O12 Sr -","- C26 H22 N4 O12 Sr -","- C208 H176 N32 O96 Sr8 -","8","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1443","0.0763","","","0.159","0.1995","","","","","","1.106","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210222","25.1437","0.0013","25.1437","0.0013","14.5663","0.0015","90","","90","","120","","7975.1","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H30 Mn3 N4 O18 -","- C24 H30 Mn3 N4 O18 -","- C216 H270 Mn27 N36 O162 -","9","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1137","0.0808","","","0.2299","0.2531","","","","","","1.1","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210223","13.9799","0.0008","14.9811","0.0005","14.9811","0.0005","110.785","0.001","108.123","0.002","108.123","0.001","2454.3","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H0 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","1","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.214","0.1162","","","0.3007","0.3458","","","","","","1.068","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210224","12.24","0.002","13.285","0.003","33.139","0.007","98.09","0.03","91.58","0.03","106.32","0.03","5107","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H92 Ba2 N11 O57 V15 -","- C55 H91.6 Ba2 N11 O57 V15 -","- C110 H183.2 Ba4 N22 O114 V30 -","2","1","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.0938","0.057","","","0.1281","0.1411","","","","","","1.054","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210225","11.34","0.002","11.638","0.002","12.492","0.003","104.74","0.03","103.04","0.03","107.93","0.03","1431.8","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","1","0.5","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.077","0.0503","","","0.1138","0.1261","","","","","","1.03","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210226","16.9317","0.0008","16.9317","0.0008","22.0782","0.0019","90","","90","","120","","5481.4","0.6","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 N24 O8 S8 W2 -","- C72 H75.96 Cl3 Cu7 N24 O8 S8 W2 -","- C144 H151.92 Cl6 Cu14 N48 O16 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.073","0.048","","","0.0907","0.0953","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7210227","16.817","0.002","16.817","0.002","22.226","0.006","90","","90","","120","","5443.6","1.7","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 Mo2 N24 O8 S8 -","- C72 H75.9996 Cl3 Cu7 Mo2 N24 O8 S8 -","- C144 H151.999 Cl6 Cu14 Mo4 N48 O16 S16 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0653","0.0514","","","0.1257","0.132","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210228","17.0636","0.0014","17.0636","0.0014","22.372","0.003","90","","90","","120","","5641.3","1","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H74 Br3 Cu7 N24 O7 S8 W2 -","- C72 H74.0004 Br3 Cu7 N24 O7 S8 W2 -","- C144 H148.001 Br6 Cu14 N48 O14 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0837","0.0542","","","0.1097","0.1186","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210229","8.3985","0.0017","9.819","0.002","10.245","0.002","70.94","0.03","81.82","0.03","72.29","0.03","759.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H9 F4 O2 -","- C21 H9 F4 O2 -","- C42 H18 F8 O4 -","2","1","","Chen, Hao; Gao, Fan; Yao, Erdong; Chen, Qi; Ma, Yuguo","Rapid mechanochemical preparation of a sandwich-like charge transfer complex","CrystEngComm","2013","15","22","4413","","10.1039/c3ce40585k","","","0.71073","MoKα","","0.0824","0.0677","","","0.1663","0.1797","","","","","","1.12","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210230","4.3337","0.0002","4.3337","0.0002","40.9103","0.0019","90","","90","","120","","665.4","0.05","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi2 Mn Te4 -","- Bi2 Mn Te4 -","- Bi6 Mn3 Te12 -","3","0.0833333","","Lee, Dong Sun; Kim, Tae-Hoon; Park, Cheol-Hee; Chung, Chan-Yeup; Lim, Young Soo; Seo, Won-Seon; Park, Hyung-Ho","Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4","CrystEngComm","2013","15","27","5532","","10.1039/c3ce40643a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210232","13.4164","0.0008","15.4139","0.0009","15.0463","0.0009","90","","112.966","0.001","90","","2864.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-methoxy-isophtalato-O,O'')-bis- (N,N,N',N'-tetramethylethylen","","","- C21 H39 Cl Cu2 N4 O10 -","- C21 H39 Cl Cu2 N4 O10 -","- C84 H156 Cl4 Cu8 N16 O40 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0633","0.038","","","0.0695","0.0743","","","","","","0.821","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210233","13.4464","0.0009","15.6975","0.0011","13.9301","0.001","90","","111.165","0.002","90","","2742","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-isophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendiamine)-d","","","- C20 H36 Cl Cu2 N4 O9 -","- C20 H36 Cl Cu2 N4 O9 -","- C80 H144 Cl4 Cu8 N16 O36 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.1536","0.1102","","","0.1944","0.2111","","","","","","1.264","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210234","13.4288","0.0007","15.5866","0.0008","14.6967","0.0008","90","","111.897","0.001","90","","2854.2","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-nitroisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H36 Cl Cu2 N5 O11 -","- C20 H36 Cl Cu2 N5 O11 -","- C80 H144 Cl4 Cu8 N20 O44 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0627","0.0391","","","0.0777","0.0818","","","","","","0.854","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210235","27.4967","0.0015","15.6562","0.0009","15.3494","0.0009","90","","120.473","0.001","90","","5695.1","0.6","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(Diaqua-(mu-5-aminoisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H38 Cl Cu2 N5 O9 -","- C20 H38 Cl Cu2 N5 O9 -","- C160 H304 Cl8 Cu16 N40 O72 -","8","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0666","0.0416","","","0.0923","0.0973","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210236","6.8445","0.0003","15.0636","0.0008","16.1247","0.0008","90","","98.489","0.001","90","","1644.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(Aqua-(mu-isophtalato-O,O'')-N,N,N',N'- tetramethylethylen diamine)-copper(ii))","catena-[Aqua-(μ-isophtalato-O,O"")-N,N,N',N'-tetramethylethylen diamine)-copper(ii)]","","- C14 H22 Cu N2 O5 -","- C14 H22 Cu N2 O5 -","- C56 H88 Cu4 N8 O20 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0399","0.0348","","","0.0974","0.1002","","","","","","0.993","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210237","13.3966","0.0008","11.9465","0.0007","24.1319","0.0014","90","","100.382","0.001","90","","3798.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Aqua-(mu-Tetrafluoroisophtalato-O,O'')-(N,N,N',N'- tetramethylethylendiami","","","- C28 H40 Cu2 F8 N4 O12 -","- C28 H40 Cu2 F8 N4 O12 -","- C112 H160 Cu8 F32 N16 O48 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0485","0.0351","","","0.0795","0.083","","","","","","0.906","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210238","10.232","0.003","14.433","0.004","22.709","0.006","90","","90","","90","","3353.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn(3-tzbd)2.H2O]n","","","- C3.05 H2.29 N1.52 O0.57 Zn0.19 -","- C3.04762 H2.28571 N1.52381 O0.571429 Zn0.190476 -","- C128 H96 N64 O24 Zn8 -","42","5.25","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0584","0.057","","","0.1837","0.1854","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210239","11.4833","0.0014","13.5101","0.0015","15.1777","0.0017","97.56","0.003","100.423","0.004","103.2","0.005","2217.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn2(3-tzbd)3(N3)(4,4'-bipy)2.H2O]n","","","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0598","0.0508","","","0.1247","0.1319","","","","","","1.055","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210240","14.6438","0.0015","25.7158","0.0016","7.1582","0.0006","90","","102.572","0.006","90","","2631","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Zn2(3-tzbd)2(OH)2(4,4'-bipy).H2O]n","","","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","1","0.125","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0636","0.0497","","","0.1404","0.155","","","","","","0.981","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210241","9.5171","0.0004","11.409","","12.9728","0.0001","69.741","0.01","77.556","0.012","80.174","0.012","1283.3","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(3-tzbd)4(phen)2","","","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0536","0.0468","","","0.1305","0.1406","","","","","","0.804","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210242","10.113","0.0012","13.323","0.0016","15.473","0.0018","90","","104.2","0.0013","90","","2021.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 Ni O5 -","- C21 H18 N4 Ni O5 -","- C84 H72 N16 Ni4 O20 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0322","0.0268","","","0.0707","0.0736","","","","","","1.062","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210243","8.405","0.003","17.494","0.005","17.621","0.004","90","","100.421","0.008","90","","2548.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N8 Ni O7 -","- C25 H20 N8 Ni O7 -","- C100 H80 N32 Ni4 O28 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0461","0.0345","","","0.0942","0.102","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210244","17.3102","0.0007","10.8871","0.0004","30.2298","0.0012","90","","100.412","0.0005","90","","5603.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N6 Ni O4 -","- C30 H27 N6 Ni O4 -","- C240 H216 N48 Ni8 O32 -","8","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71073","MoKα","","0.0444","0.0344","","","0.0918","0.096","","","","","","1.075","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210245","23.1936","0.001","15.0255","0.0007","16.4652","0.0013","90","","124.695","0.0004","90","","4717.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N10 Ni2 O15 -","- C44 H40 N10 Ni2 O15 -","- C176 H160 N40 Ni8 O60 -","4","0.5","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0445","0.0331","","","0.0808","0.0869","","","","","","1.004","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210246","18.9686","0.001","18.8743","0.0009","26.1162","0.0014","90","","107.436","0.001","90","","8920.5","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H92 In12 N12 Ni O3 S20 -","- C30 H60 In12 N10 Ni S20 -","- C120 H240 In48 N40 Ni4 S80 -","4","1","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.074","0.0563","","","0.1278","0.1387","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210247","32.042","0.004","9.8206","0.0008","24.305","0.002","90","","127.353","0.002","90","","6079.6","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H192 In8 N24 Ni4 O12 S16 -","- C72 In8 N24 Ni4 O12 S16 -","- C144 In16 N48 Ni8 O24 S32 -","2","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.0616","0.053","","","0.1344","0.1409","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210248","24.8713","0.0015","28.3131","0.0016","52.118","0.003","90","","90","","90","","36701","4","296","2","296","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C90 H222 Co8 In16 N30 O5 S37 -","- C72 H120 Co8 In16 N24 S37 -","- C576 H960 Co64 In128 N192 S296 -","8","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71073","MoKα","","0.1322","0.117","","","0.1907","0.1963","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210249","22.9417","0.001","26.2387","0.001","27.3488","0.0011","90","","99.454","0.001","90","","16239.3","1.1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H408 Co17 In32 N56 O6 S68 -","- C132 Co17 In32 N52 O6 S68 -","- C264 Co34 In64 N104 O12 S136 -","2","0.5","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.1141","0.0814","","","0.1798","0.202","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210250","9.09","0.003","26.329","0.008","14.854","0.005","90","","95.493","0.004","90","","3539","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H20 Cd Cl4 N2 O5 -","- C35 H20 Cd Cl4 N2 O5 -","- C140 H80 Cd4 Cl16 N8 O20 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0648","0.0448","","","0.1212","0.1341","","","","","","1.033","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210251","14.7666","0.001","24.2437","0.0017","14.97","0.001","90","","112.025","0.001","90","","4968.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 Cd2 Cl6 N3 O6 -","- C54 H37 Cd2 Cl6 N3 O6 -","- C216 H148 Cd8 Cl24 N12 O24 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0916","0.0504","","","0.1256","0.1464","","","","","","1.049","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210252","15.88","0.002","24.478","0.003","26.637","0.004","90","","106.257","0.003","90","","9940","2","58","2","58","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 Cd2 Cl6 I N3 O3 -","- C52 H30 Cd2 Cl6 I N3 O4 -","- C416 H240 Cd16 Cl48 I8 N24 O32 -","8","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.1071","0.0538","","","0.1432","0.2035","","","","","","1.111","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210253","10.442","0.002","11.545","0.002","14.071","0.003","102.208","0.002","110.931","0.001","100.536","0.001","1485.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Pr -","- C33 H24 O12 Pr -","- C66 H48 O24 Pr2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0261","0.0234","","","0.0613","0.0758","","","","","","0.987","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210254","10.1324","0.0008","10.1905","0.0009","15.5442","0.001","96.333","0.002","97.155","0.003","114.009","0.003","1431.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Er O11 -","- C33 H22 Er O11 -","- C66 H44 Er2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0662","0.0602","","","0.1755","0.1956","","","","","","1.109","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210255","10.1326","0.0005","10.1834","0.0004","15.5265","0.0008","96.308","0.004","97.128","0.004","113.89","0.004","1430.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Ho O11 -","- C33 H22 Ho O11 -","- C66 H44 Ho2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0589","0.0452","","","0.0624","0.0687","","","","","","0.995","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210256","10.4475","0.0011","11.5142","0.0006","14.0367","0.0016","102.313","0.007","110.938","0.01","100.587","0.006","1476.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Nd O12 -","- C33 H24 Nd O12 -","- C66 H48 Nd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0511","0.0414","","","0.0878","0.0931","","","","","","1.033","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210257","10.413","0.0011","11.4804","0.0018","14.1232","0.0019","102.54","0.006","111.188","0.001","100.429","0.003","1472.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Sm -","- C33 H24 O12 Sm -","- C66 H48 O24 Sm2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0393","0.0329","","","0.0873","0.1026","","","","","","1.082","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210258","10.3979","0.0006","11.4388","0.0006","14.1007","0.0008","102.635","0.005","111.321","0.005","100.381","0.005","1460.95","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Eu O12 -","- C33 H24 Eu O12 -","- C66 H48 Eu2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0467","0.036","","","0.0658","0.0702","","","","","","1.03","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210259","10.4002","0.0006","11.4239","0.0006","14.1035","0.0008","102.78","0.001","111.354","0.001","100.275","0.001","1458.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Gd O12 -","- C33 H24 Gd O12 -","- C66 H48 Gd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0308","0.028","","","0.0669","0.0687","","","","","","1.041","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210260","11.9617","0.0006","12.6849","0.0005","19.6998","0.001","90","","107.951","0.003","90","","2843.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Tb -","- C34 H20 N2 O7 Tb -","- C136 H80 N8 O28 Tb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0445","0.0352","","","0.0902","0.1212","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210261","11.9684","0.0006","12.6499","0.0004","19.6347","0.0017","90","","108","0.006","90","","2827.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Dy N2 O7 -","- C34 H20 Dy N2 O7 -","- C136 H80 Dy4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0498","0.0349","","","0.0706","0.0755","","","","","","1.038","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210262","12.0185","0.0004","12.6199","0.0005","19.586","0.0008","90","","108.006","0.003","90","","2825.16","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Er N2 O7 -","- C34 H20 Er N2 O7 -","- C136 H80 Er4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0494","0.0327","","","0.0476","0.0519","","","","","","0.9","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210263","12.0745","0.0018","12.584","0.002","19.537","0.002","90","","108","0.007","90","","2823.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Yb -","- C34 H20 N2 O7 Yb -","- C136 H80 N8 O28 Yb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0618","0.0422","","","0.0748","0.0827","","","","","","1.076","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210264","10.3248","0.0019","11.3302","0.0018","14.087","0.003","102.938","0.014","111.17","0.017","100.561","0.014","1433.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Tb -","- C33 H24 O12 Tb -","- C66 H48 O24 Tb2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0387","0.0331","","","0.0693","0.0752","","","","","","0.99","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210265","8.1858","0.0008","10.6531","0.0012","20.967","0.002","90","","92.684","0.007","90","","1826.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1232","0.0536","","","0.0896","0.1071","","","","","","1.049","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210266","21.5904","0.0013","13.638","0.0008","16.9958","0.0017","90","","123.947","0.003","90","","4151.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.169","0.0818","","","0.1977","0.2355","","","","","","0.997","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210267","21.9667","0.0007","13.4559","0.0007","17.1405","0.0007","90","","124.165","0.004","90","","4192.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H27 N2 O2.5 -","- C22.5 H27 N2 O2.5 -","- C180 H216 N16 O20 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.0929","0.0689","","","0.1199","0.1273","","","","","","1.076","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7210268","8.2791","0.0006","10.4599","0.0007","26.664","0.002","90","","96.212","0.007","90","","2295.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1084","0.0885","","","0.1671","0.1781","","","","","","1.007","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210269","8.927","0.002","9.233","0.002","12.683","0.003","94.158","0.004","96.911","0.004","104.064","0.005","1001","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ca Cu N2 O13 S -","- C11 H20 Ca Cu N2 O13 S -","- C22 H40 Ca2 Cu2 N4 O26 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0542","0.0473","","","0.1233","0.1262","","","","","","1.006","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210270","8.1109","0.0011","11.7065","0.0018","16.46","0.003","90","","100.757","0.009","90","","1535.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cu N2 O9 S Sr -","- C11 H12 Cu N2 O9 S Sr -","- C44 H48 Cu4 N8 O36 S4 Sr4 -","4","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0962","0.0618","","","0.1125","0.117","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210271","8.498","0.002","9.691","0.003","12.53","0.003","110.582","0.004","91.961","0.004","113.516","0.004","867.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Ba Cu N2 O11 S -","- C11 H16 Ba Cu N2 O11 S -","- C22 H32 Ba2 Cu2 N4 O22 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0386","0.0357","","","0.0925","0.0941","","","","","","1.048","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210272","18.871","0.013","18.123","0.013","14.501","0.01","90","","95.28","0.009","90","","4938","6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H13 Mn2 N6 O11 -","- C26 H13 Mn2 N6 O11 -","- C104 H52 Mn8 N24 O44 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0709","0.0502","","","0.1142","0.1225","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210273","16","0.004","21.411","0.005","19.198","0.005","90","","99.861","0.003","90","","6480","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu4 N8 O17 -","- C31 H22 Cu4 N8 O17 -","- C124 H88 Cu16 N32 O68 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0558","0.0363","","","0.0775","0.0813","","","","","","0.958","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210274","10.8122","0.001","11.1482","0.0011","31.445","0.003","90","","90","","90","","3790.3","0.6","248","2","248","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl3 Cu N6 O10 -","- C10 H13 Cl3 Cu N6 O10 -","- C80 H104 Cl24 Cu8 N48 O80 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0477","0.0358","","","0.0938","0.1004","","","","","","1.02","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210275","32.804","0.003","6.6637","0.0006","21.391","0.002","90","","128.802","0.005","90","","3644.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Cl Cu N8 O9 -","- C10 H15 Cl Cu N8 O9 -","- C80 H120 Cl8 Cu8 N64 O72 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0455","0.0404","","","0.1085","0.1133","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210276","14.87","0.006","19.709","0.008","8.759","0.003","90","","106.423","0.004","90","","2462.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 Cu2 N12 -","- C20 H16 Cl4 Cu2 N12 -","- C80 H64 Cl16 Cu8 N48 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0651","0.0377","","","0.0483","0.0513","","","","","","1.58","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210277","14.641","0.007","14.569","0.007","12.478","0.006","90","","94.49","0.004","90","","2653","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl3 Cu2 N12 O5 -","- C20 H17 Cl3 Cu2 N12 O5 -","- C80 H68 Cl12 Cu8 N48 O20 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0492","0.0341","","","0.0799","0.0883","","","","","","1.027","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210278","11.2535","0.0006","11.921","0.001","12.0912","0.0009","92.17","0.007","115.524","0.006","107.005","0.006","1374.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 Cu2 N13 O6 -","- C20 H21 Cl2 Cu2 N13 O6 -","- C40 H42 Cl4 Cu4 N26 O12 -","2","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0462","0.0374","","","0.0896","0.0964","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210279","9.924","0.008","9.781","0.006","22.976","0.016","90","","102.64","0.03","90","","2176","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0878","0.051","","","0.1228","0.1574","","","","","","0.965","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210280","21.4632","0.0018","5.7527","0.0005","18.1385","0.0015","90","","114.205","0.006","90","","2042.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 O6 S -","- C21 H18 N4 O6 S -","- C84 H72 N16 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","1.54178","CuKα","","0.1382","0.0576","","","0.1315","0.1629","","","","","","1.003","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210281","7.8714","0.0005","16.5514","0.0011","13.6543","0.0007","90","","124.464","0.003","90","","1466.69","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 S -","- C14 H12 N2 O6 S -","- C56 H48 N8 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0455","0.0416","","","0.1018","0.1048","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210282","11.4318","0.0009","8.4683","0.0007","13.999","0.0001","90","","105.272","0.0001","90","","1307.36","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0434","0.0265","","","0.0533","0.0567","","","","","","0.874","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210283","7.7049","0.0007","8.3452","0.0007","20.036","0.002","90","","92.797","0.001","90","","1286.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0426","0.0357","","","0.0879","0.0913","","","","","","1.042","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210284","7.55","0.005","16.543","0.005","7.885","0.005","90","","103.431","0.005","90","0.05","957.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl4 Ru2 -","- C18 H20 Cl4 Ru2 -","- C36 H40 Cl8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0384","0.027","","","0.0887","0.1002","","","","","","0.715","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210285","15.659","0.005","7.66","0.005","17.82","0.005","90","0.005","112.476","0.005","90","0.005","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0546","0.0353","","","0.0751","0.0818","","","","","","1.032","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210286","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 Co2 N2 O12 -","- C45 H34 Co2 N2 O12 -","- C360 H272 Co16 N16 O96 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.0955","0.0507","","","0.1092","0.1168","","","","","","1.015","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210287","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N2 O12 Zn2 -","- C45 H34 N2 O12 Zn2 -","- C360 H272 N16 O96 Zn16 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1332","0.0743","","","0.1969","0.2146","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210288","26.39","0.002","19.0868","0.0016","27.639","0.002","90","","95.478","0.001","90","","13858.2","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26.5 Cd O12.25 -","- C33 H26.5 Cd O12.25 -","- C264 H212 Cd8 O98 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1195","0.0696","","","0.2096","0.2228","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210289","13.2108","0.001","14.2447","0.001","14.5976","0.0011","90","","113.318","0.001","90","","2522.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C48 H88 Ag8 Cl8 N24 O40 S12 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0288","0.0263","","","0.0628","0.0641","","","","","","1.068","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210290","8.9829","0.0013","11.1316","0.0016","11.1548","0.0016","70.62","0.002","79.114","0.002","74.141","0.002","1006.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H12 Ag2 F6 N4 O4 S2 -","- C12 H12 Ag2 F6 N4 O4 S2 -","- C24 H24 Ag4 F12 N8 O8 S4 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0405","0.0363","","","0.0892","0.0937","","","","","","1.063","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210291","12.862","0.002","19.608","0.004","26.579","0.005","90","","90","","90","","6703","2","296","2","296.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H24 Ag2 As2 F12 N8 S3 -","- C16 H24 Ag2 As2 F12 N8 S3 -","- C128 H192 Ag16 As16 F96 N64 S24 -","8","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.1007","0.05","","","0.1345","0.1626","","","","","","1.029","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210292","6.9033","0.0012","7.852","0.0013","8.6789","0.0015","99.337","0.002","97.714","0.002","115.448","0.002","408.04","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H6 Ag N3 O3 S -","- C4 H6 Ag N3 O3 S -","- C8 H12 Ag2 N6 O6 S2 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0312","0.0306","","","0.0989","0.0992","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210293","6.6152","0.0006","15.4671","0.0014","8.1921","0.0008","90","","113.208","0.001","90","","770.37","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N6 O6 S2 -","- C8 H12 Cu N6 O6 S2 -","- C16 H24 Cu2 N12 O12 S4 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0218","0.021","","","0.0548","0.0553","","","","","","1.04","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210294","14.629","0.002","12.3526","0.0008","9.8215","0.001","90","","121.535","0.009","90","","1512.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","1","0.125","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.15","0.0732","","","0.1561","0.2044","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210295","25.7473","0.0014","25.7473","0.0014","23.3799","0.0013","90","","90","","120","","13422.6","1.3","173","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H44 Cl4 N9 Ni4.5 O28.5 S4 -","- C20 H44 Cl4 N9 Ni4.5 O28.5033 S4 -","- C240 H528 Cl48 N108 Ni54 O342.04 S48 -","12","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0484","0.0377","","","0.095","0.1034","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210296","23.986","0.006","23.986","0.006","10.481","0.004","90","","90","","90","","6030","3","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H8 O6.5 P Zn -","- C7 H4 O6.5 P Zn -","- C112 H64 O104 P16 Zn16 -","16","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0962","0.0866","","","0.2631","0.274","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210297","32.652","0.005","32.652","0.005","32.652","0.005","90","","90","","90","","34812","9","293","2","293","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C14 H10 O11 P2 Zn2.5 -","- C14 H8 O11 P2 Zn2.5 -","- C672 H384 O528 P96 Zn120 -","48","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0896","0.0559","","","0.1345","0.1473","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210298","9.4155","0.0006","9.9399","0.0004","15.3997","0.0008","82.238","0.007","86.946","0.007","88.633","0.008","1425.81","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Mn2 N3 O11 S2 -","- C24 H25 Mn2 N3 O11 S2 -","- C48 H50 Mn4 N6 O22 S4 -","2","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0802","0.0563","","","0.1467","0.1746","","","","","","0.933","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210299","16.4733","0.0012","10.6596","0.0006","21.7791","0.0013","90","","92.688","0.005","90","","3820.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Mn3 N3 O15 S3 -","- C30 H27 Mn3 N3 O15 S3 -","- C120 H108 Mn12 N12 O60 S12 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.086","0.0644","","","0.1795","0.2088","","","","","","1.113","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210300","11.857","0.009","18.273","0.013","11.496","0.011","90","","99.2","0.02","90","","2459","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Mn N O5 S -","- C10 H11 Mn N O5 S -","- C80 H88 Mn8 N8 O40 S8 -","8","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0884","0.0602","","","0.1539","0.234","","","","","","1.17","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210301","22.7772","0.0016","22.7772","0.0016","12.8156","0.0018","90","","90","","90","","6648.7","1.1","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H7 Mn2 O10 S2 -","- C14 H7 Mn2 O10 S2 -","- C112 H56 Mn16 O80 S16 -","8","0.5","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.1448","0.1221","","","0.3106","0.3353","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210302","24.3021","0.001","16.0142","0.0006","22.0018","0.0009","90","","100.138","0.001","90","","8428.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N Nd O9 Si -","- C30 H24 N Nd O9 Si -","- C240 H192 N8 Nd8 O72 Si8 -","8","1","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0384","0.03","","","0.0798","0.0816","","","","","","1.14","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210303","18.735","0.002","30.214","0.003","24.837","0.003","90","","90","","90","","14059","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Eu4 O30 Si3 -","- C84 H48 Eu4 O30 Si3 -","- C336 H192 Eu16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0775","0.0481","","","0.1252","0.1299","","","","","","1.085","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210304","18.774","0.002","29.704","0.003","24.89","0.003","90","","90","","90","","13880","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Er4 O30 Si3 -","- C84 H48 Er4 O30 Si3 -","- C336 H192 Er16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0677","0.0402","","","0.0752","0.0772","","","","","","1.14","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210305","13.085","0.003","19.689","0.004","22.821","0.005","104.33","0.03","95.37","0.03","104.76","0.03","5431","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H104 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1438","0.0865","","","0.1569","0.1729","","","","","","1.045","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210306","13.047","0.003","19.597","0.004","22.707","0.005","104.41","0.03","95.24","0.03","104.76","0.03","5363","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H114 As4 Dy6 N2 Na10 O204 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1067","0.0704","","","0.1456","0.1609","","","","","","1.038","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210307","15.4412","0.0012","19.3382","0.0015","22.4967","0.0017","77.841","0.001","83.381","0.001","87.227","0.001","6521.1","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H134 As4 N2 Na10 Nd6 O214 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.0915","0.0561","","","0.1297","0.1406","","","","","","0.973","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210308","8.4958","0.0005","15.7766","0.001","5.9616","0.0004","90","","99.269","0.003","90","","788.63","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 Cu2 N2 -","- C10 H22 Cl4 Cu2 N2 -","- C20 H44 Cl8 Cu4 N4 -","2","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0261","0.0208","","","0.0465","0.0486","","","","","","1.033","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210309","9.2245","0.0002","9.3525","0.0002","9.6145","0.0002","76.753","0.001","84.99","0.001","82.601","0.001","799.23","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl4 Cu N2 O -","- C10 H24 Cl4 Cu N2 O -","- C20 H48 Cl8 Cu2 N4 O2 -","2","1","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.022","0.0185","","","0.045","0.0469","","","","","","1.042","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210310","7.6443","0.0004","7.6443","0.0004","19.1597","0.0012","90","","90","","90","","1119.6","0.11","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H12 Cl4 Cu N2 -","- C4 H12 Cl4 Cu N2 -","- C16 H48 Cl16 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0163","0.0154","","","0.0366","0.0368","","","","","","1.059","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210311","10.9151","0.0009","6.7334","0.0006","12.1914","0.001","90","","96.197","0.005","90","","890.78","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl3 Cu N2 -","- C4 H12 Cl3 Cu N2 -","- C16 H48 Cl12 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0527","0.0352","","","0.0618","0.0678","","","","","","1.022","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210312","26.88","0.005","19.664","0.004","16.83","0.003","90","","101.88","0.03","90","","8705","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Er2 N6 O6 -","- C48 H42 Er2 N6 O6 -","- C384 H336 Er16 N48 O48 -","8","2","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210313","11.0044","0.0006","17.2845","0.0004","11.531","0.0004","90","","104.002","0.004","90","","2128.09","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O8 Yb2 -","- C42 H42 N4 O8 Yb2 -","- C84 H84 N8 O16 Yb4 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.046","0.03","","","0.0557","0.0642","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210314","10.984","0.002","17.332","0.003","11.518","0.002","90","","102.68","0.03","90","","2139.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Er N4 O8 Yb -","- C42 H42 Er N4 O8 Yb -","- C84 H84 Er2 N8 O16 Yb2 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.0606","0.0394","","","0.0802","0.0897","","","","","","1.064","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210315","9.1075","0.0004","15.797","0.0007","16.6894","0.0007","90","","105.699","0.001","90","","2311.55","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine : N,N-dimethylacetamide (1:1)","","","- C22 H28 Cl2 N2 O5 -","- C22 H28 Cl2 N2 O5 -","- C88 H112 Cl8 N8 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.0578","0.0475","","","0.1343","0.1422","","","","","","1.07","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210316","28.6544","0.0012","11.445","0.0005","14.573","0.0006","90","","90.715","0.001","90","","4778.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Felodipine : 1,3-dimethylimidazolidine-2-one (1:1)","","","- C23 H29 Cl2 N3 O5 -","- C23 H29 Cl2 N3 O5 -","- C184 H232 Cl16 N24 O40 -","8","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.054","0.0469","","","0.1202","0.1248","","","","","","1.084","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210317","16.3261","0.0018","11.4866","0.0011","14.7468","0.0017","90","","111.959","0.003","90","","2564.9","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine : tetramethylurea (1:1)","","","- C23 H31 Cl2 N3 O5 -","- C23 H31 Cl2 N3 O5 -","- C92 H124 Cl8 N12 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.1033","0.0563","","","0.142","0.1579","","","","","","0.959","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210318","7.0258","0.0004","8.7456","0.0007","11.5823","0.0008","97.224","0.006","105.576","0.006","106.448","0.006","641.61","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N4 O5 Zn0.5 -","- C12 H13 N4 O5 Zn0.5 -","- C24 H26 N8 O10 Zn -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.54183","CuKα","","0.0373","0.0328","","","0.0859","0.0924","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210319","30.646","0.002","8.0603","0.0003","16.7255","0.0009","90","","116.28","0.007","90","","3704.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 O14 Zn -","- C40 H40 N6 O14 Zn -","- C160 H160 N24 O56 Zn4 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.0739","0.048","","","0.1036","0.1196","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210320","30.58","0.002","8.0664","0.0003","16.7188","0.0009","90","","116.268","0.007","90","","3698.2","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 Ni O14 -","- C40 H40 N6 Ni O14 -","- C160 H160 N24 Ni4 O56 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.0586","0.0442","","","0.1147","0.1256","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210321","9.5388","0.0004","9.6007","0.0003","11.3978","0.0005","83.76","0.003","84.192","0.003","69.97","0.004","972.57","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","1","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.031","0.0285","","","0.0815","0.0863","","","","","","1.162","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210322","20.282","0.001","22.034","0.001","20.6546","0.0008","90","","90","","90","","9230.4","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cr N11 O9 -","- C50 H36 Cr N11 O9 -","- C400 H288 Cr8 N88 O72 -","8","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.1754","0.095","","","0.2255","0.2858","","","","","","0.99","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210323","16.8518","0.0003","9.3426","0.0002","16.0838","0.0003","90","","116.507","0.001","90","","2266.04","0.08","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 Ni -","- C28 H20 N6 Ni -","- C112 H80 N24 Ni4 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.033","0.0295","","","0.0781","0.0804","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210324","13.8377","0.0003","13.8377","0.0003","20.3849","0.0004","90","","90","","120","","3380.39","0.12","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C46 H40 Cl6 N6 Ni O -","- C46 H40 Cl6 N6 Ni O -","- C138 H120 Cl18 N18 Ni3 O3 -","3","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0727","0.0636","","","0.1679","0.1748","","","","","","1.16","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210325","9.1455","0.0002","22.8915","0.0004","17.1438","0.0003","90","","103.468","0.001","90","","3490.43","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl3 N6 Ni -","- C41 H29 Cl3 N6 Ni -","- C164 H116 Cl12 N24 Ni4 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0672","0.0449","","","0.1067","0.1209","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210326","23.9544","0.0006","9.6535","0.0002","17.2072","0.0004","90","","107.043","0.002","90","","3804.32","0.16","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H81 N19 Ni2 O5 -","- C83 H81 N19 Ni2 O5 -","- C166 H162 N38 Ni4 O10 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0348","0.0311","","","0.0815","0.0837","","","","","","1.033","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210327","16.8936","0.0016","7.615","0.0007","12.9428","0.0012","90","","91.339","0.002","90","","1664.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0793","0.0555","","","0.1336","0.1516","","","","","","1.062","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210328","12.589","0.002","5.9903","0.0009","14.136","0.002","90","","115.801","0.002","90","","959.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0707","0.0536","","","0.1115","0.1201","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210329","18.302","0.006","8.68","0.003","12.923","0.004","90","","105.172","0.005","90","","1981.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71075","MoKα","","0.0826","0.0585","","","0.1502","0.1681","","","","","","1.077","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210330","18.044","0.006","18.044","0.006","19.407","0.008","90","","90","","90","","6319","4","296","2","296","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C24 H70 Cl2 N8 O28 Pd6 S8 -","- C24 H46 Cl2 N8 O28 Pd6 S8 -","- C96 H184 Cl8 N32 O112 Pd24 S32 -","4","0.5","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.1065","0.0664","","","0.1717","0.2022","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7210331","16.252","0.003","19.15","0.003","22.751","0.004","90","","90","","90","","7081","2","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H82 N12 O37 Pd6 S10 -","- C30 H60 N12 O37 Pd6 S10 -","- C120 H240 N48 O148 Pd24 S40 -","4","1","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.0914","0.0693","","","0.1759","0.202","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210332","9.51","0.005","9.693","0.006","13.597","0.008","103.857","0.005","100.543","0.004","107.06","0.008","1119.2","1.1","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Rh_2_L1_2_CF3COO_2","","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","1","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.710747","MoKα","","0.0684","0.0587","","","0.1575","0.1615","","","","","","1.229","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210333","9.0904","0.0005","26.7064","0.0002","17.9565","0.0008","90","","101.505","0.001","90","","4271.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","Cu_2_L1_4","","- C68 H32 Cu2 F20 O10 -","- C68 H32 Cu2 F20 O10 -","- C136 H64 Cu4 F40 O20 -","2","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.71074","MoKα","","0.0818","0.0759","","","0.2422","0.2472","","","","","","1.143","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210334","8.006","0.002","11.184","0.003","34.465","0.005","90","","90","","90","","3086","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-D-asparaginate 1.75-hydrate","","- C32 H35.5 N6 O11.75 -","- C32 H35.502 N6 O11.751 -","- C128 H142.008 N24 O47.004 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1026","0.0681","","","0.1489","0.1598","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210335","7.73","0.002","11.896","0.003","37.812","0.005","90","","90","","90","","3477","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-L-asparaginate 5-hydrate","","- C32 H42 N6 O15 -","- C32 H42 N6 O15 -","- C128 H168 N24 O60 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0671","0.0492","","","0.1076","0.1129","","","","","","1.038","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210336","12.358","0.003","8.354","0.002","18.078","0.002","90","","101.94","0.03","90","","1826","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-asparaginate ethanol solvate hydrate","","- C36 H44 N6 O14 -","- C36 H43.9998 N6 O14 -","- C72 H87.9996 N12 O28 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1125","0.0766","","","0.1959","0.212","","","","","","1.037","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210337","38.752","0.005","12.287","0.003","7.909","0.002","90","","100.63","0.03","90","","3701.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 1.2-solvate 1.5-hydrate","","- C35.19 H43.75 N6 O14.69 -","- C35.189 H43.756 N6 O14.689 -","- C140.756 H175.024 N24 O58.756 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1778","0.0693","","","0.1202","0.1457","","","","","","0.873","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210338","7.924","0.002","12.14","0.003","20.495","0.003","73.21","0.02","79.37","0.02","80.53","0.03","1842.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 5-solvate","","- C36.5 H46 N6 O14.5 -","- C36.5 H45.998 N6 O14.4995 -","- C73 H91.996 N12 O28.999 -","2","2","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1573","0.0631","","","0.1103","0.1335","","","","","","0.845","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210339","6.371","0.002","9.26","0.002","22.629","0.004","90","","90","","90","","1335","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)-D-asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0598","0.0423","","","0.0859","0.0911","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210340","6.381","0.002","9.276","0.002","22.66","0.003","90","","90","","90","","1341.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.0919","0.0683","","","0.1646","0.1964","","","","","","1.06","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210341","4.583","0.002","21.947","0.005","12.852","0.003","90","","92.76","0.02","90","","1291.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.1472","0.064","","","0.1452","0.1674","","","","","","0.706","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210342","8.9669","0.0013","9.9577","0.0015","12.1033","0.0018","107.249","0.002","92.764","0.002","106.282","0.002","980.5","0.3","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0733","0.0466","","","0.088","0.0987","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210343","27.652","0.005","7.178","0.005","20.457","0.005","90","0.005","120.883","0.005","90","0.005","3485","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd3 N2 O16 -","- C30 H34 Cd3 N2 O16 -","- C120 H136 Cd12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.041","0.034","","","0.0647","0.067","","","","","","1.079","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210344","26.884","0.005","6.861","0.005","20.315","0.005","90","0.005","119.611","0.005","90","0.005","3258","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Co3 N2 O16 -","- C30 H30 Co3 N2 O16 -","- C120 H120 Co12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0549","0.0397","","","0.0984","0.1083","","","","","","1.009","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210345","8.631","0.005","9.153","0.005","16.265","0.005","74.694","0.005","87.29","0.005","70.685","0.005","1168.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0576","0.0524","","","0.1433","0.149","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210346","10.7045","0.0017","13.064","0.002","16.586","0.003","90","","108.546","0.002","90","","2199","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O7 Zn -","- C21 H16 N2 O7 Zn -","- C84 H64 N8 O28 Zn4 -","4","1","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.084","0.0653","","","0.1853","0.2052","","","","","","1.055","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210347","15.532","0.003","19.713","0.003","15.214","0.003","90","","110.792","0.004","90","","4354.9","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H86 Cd6 N24 O41 -","- C68 H60 Cd6 N24 O41 -","- C136 H120 Cd12 N48 O82 -","2","0.25","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0928","0.0654","","","0.15","0.166","","","","","","1.046","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210348","19.6517","0.0017","5.9639","0.0005","26.919","0.003","90","","105.21","0.007","90","","3044.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N5 O7 Zn -","- C29 H35 N5 O7 Zn -","- C116 H140 N20 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.048","0.0337","","","0.0815","0.0873","","","","","","1.051","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210349","9.482","0.002","11.424","0.003","15.607","0.004","89.33","0.02","81.068","0.013","78.376","0.016","1635.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N4 O10 Zn -","- C31 H38 N4 O10 Zn -","- C62 H76 N8 O20 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0754","0.0405","","","0.074","0.0773","","","","","","1.013","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210350","7.7047","0.0008","8.9034","0.0011","29.447","0.004","89.256","0.012","89.387","0.01","71.385","0.01","1914.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N7 O7 Zn -","- C40 H48 N7 O7 Zn -","- C80 H96 N14 O14 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0533","0.0433","","","0.111","0.1179","","","","","","1.044","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210351","11.9409","0.0001","8.7538","0.0001","38.6259","0.0004","90","","95.216","0.001","90","","4020.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cd N6 O8 -","- C41 H49 Cd N6 O8 -","- C164 H196 Cd4 N24 O32 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.1142","0.0529","","","0.0873","0.1027","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210352","9.7935","0.0004","12.1729","0.0006","18.9627","0.0009","78.802","0.003","89.871","0.003","70.511","0.003","2085.76","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N6 O11 -","- C42 H53 Cd N6 O11 -","- C84 H106 Cd2 N12 O22 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0599","0.0404","","","0.0783","0.0857","","","","","","1.05","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210353","5.9474","0.0005","14.2294","0.0017","10.5393","0.0009","90","","94.768","0.008","90","","888.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.71073","MoKα","","0.1012","0.0583","","","0.1315","0.1532","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210354","7.63","0.0015","12.848","0.003","10.165","0.002","90","","101.01","0.03","90","","978.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.7385","","","0.0461","0.0438","","","0.1262","0.1286","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210355","11.1425","0.0003","15.6947","0.0004","14.6254","0.0005","90","","110.235","0.004","90","","2399.81","0.14","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H28 N4 O3 -","- C26 H28 N4 O3 -","- C104 H112 N16 O12 -","4","1","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0775","0.0593","","","0.1827","0.2012","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210356","36.179","0.003","5.8548","0.0005","8.3919","0.0011","90","","102.225","0.009","90","","1737.3","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.1282","0.0975","","","0.2733","0.2803","","","","","","1.358","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210357","5.2593","0.0005","5.0366","0.0004","35.673","0.003","90","","91.355","0.008","90","","944.68","0.14","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0543","0.0391","","","0.109","0.1129","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210358","5.1382","0.0001","7.0344","0.0001","29.416","0.0005","90","","93.937","0.001","90","","1060.71","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0411","0.0374","","","0.11","0.1136","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210359","7.3871","0.0015","16.445","0.003","9.992","0.002","90","","94.97","0.03","90","","1209.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd2 N4 O4 S4 -","- C20 H16 Cd2 N4 O4 S4 -","- C40 H32 Cd4 N8 O8 S8 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0349","0.0285","","","0.0678","0.07","","","","","","1.031","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210360","3.8452","0.0008","18.753","0.004","8.0557","0.0016","90","","93.49","0.03","90","","579.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O2 S2 -","- C10 H8 Cd N2 O2 S2 -","- C20 H16 Cd2 N4 O4 S4 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0347","0.0307","","","0.082","0.0844","","","","","","1.026","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210361","43.577","0.003","7.6541","0.0005","21.0472","0.0013","90","","94.207","0.001","90","","7001.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Co N6 O8 -","- C35 H39 Co N6 O8 -","- C280 H312 Co8 N48 O64 -","8","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.058","0.0408","","","0.1035","0.1102","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210362","8.1724","0.001","11.1926","0.0014","15.0362","0.0019","76.094","0.002","89.461","0.002","89.015","0.002","1334.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O9 -","- C26 H32 Co N4 O9 -","- C52 H64 Co2 N8 O18 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1235","0.0875","","","0.1744","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210363","9.0708","0.0011","10.1621","0.0012","11.7772","0.0014","99.457","0.002","106.621","0.002","108.491","0.002","946.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Co N3 O8 -","- C17 H22 Co N3 O8 -","- C34 H44 Co2 N6 O16 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0601","0.0411","","","0.0956","0.1016","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210364","6.913","0.0006","25.018","0.002","14.4591","0.0013","90","","96.337","0.002","90","","2485.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu N4 O6 -","- C26 H26 Cu N4 O6 -","- C104 H104 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0476","0.0367","","","0.0886","0.0946","","","","","","0.997","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210365","16.258","0.002","9.5904","0.0011","18.92","0.002","90","","102.346","0.002","90","","2881.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu N4 O10 -","- C26 H34 Cu N4 O10 -","- C104 H136 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0755","0.0441","","","0.0959","0.1126","","","","","","0.957","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210366","11.3258","0.0013","15.6874","0.0018","18.231","0.002","67.24","0.002","76.216","0.002","80.258","0.002","2890.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Cu2 N10 O19 -","- C52 H68 Cu2 N10 O19 -","- C104 H136 Cu4 N20 O38 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1157","0.0608","","","0.1369","0.1627","","","","","","1.008","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210367","10.6425","0.0007","17.5482","0.0009","11.5193","0.0008","90","","141.11","0.003","90","","1350.65","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C30 H28 Mn N2 O4 -","- C30 H28 Mn N2 O4 -","- C60 H56 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.058","0.0344","","","0.079","0.0834","","","","","","0.844","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210368","9.5507","0.0019","17.045","0.003","9.6962","0.0018","90","","110.425","0.018","90","","1479.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C32 H32 Mn N2 O4 -","- C32 H32 Mn N2 O4 -","- C64 H64 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0955","0.0734","","","0.1943","0.2106","","","","","","1.145","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210369","13.5786","0.0008","13.5686","0.0012","18.24","0.002","90","","104.845","0.008","90","","3248.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzoylacetonato)bis(3,5-dimethylpyridine)manganese(II)","","- C34 H36 Mn N2 O4 -","- C34 H36 Mn N2 O4 -","- C136 H144 Mn4 N8 O16 -","4","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0748","0.0366","","","0.0876","0.095","","","","","","0.874","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210370","7.5573","0.0003","17.7535","0.0007","10.6145","0.0004","90","","101.146","0.003","90","","1397.27","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(benzoylacetonato)bis(3-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0623","0.0315","","","0.0668","0.0712","","","","","","0.907","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210371","7.3008","0.0006","17.1487","0.001","13.0737","0.0013","90","","113.591","0.007","90","","1500","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-3-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0773","0.0345","","","0.0768","0.0838","","","","","","0.881","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210372","7.3129","0.0016","8.752","0.002","24.543","0.007","90","","90.83","0.02","90","","1570.6","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0963","0.0379","","","0.0839","0.0945","","","","","","0.832","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210373","10.161","0.0004","12.6475","0.0005","12.9842","0.0006","85.849","0.004","73.618","0.004","74.865","0.004","1545.34","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(Benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0769","0.0545","","","0.1495","0.1567","","","","","","1.024","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210374","9.0001","0.0007","12.7277","0.001","14.1367","0.0014","66.042","0.009","76.101","0.007","73.393","0.007","1403.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(benzoylacetonato)bis(2-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0908","0.0364","","","0.0612","0.0677","","","","","","0.731","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210375","42.4912","0.0006","12.0468","0.0015","17.29","0.0007","90","","90","","90","","8850.5","1.2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H22 O8 -","- C24 H22 O8 -","- C384 H352 O128 -","16","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1101","","","","","","1.045","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210376","10.332","0.0009","13.792","0.0011","17.331","0.0014","70.708","0.007","88.355","0.007","87.483","0.007","2328.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Na O19 Zn5 -","- C44 H26 O19 Zn5 -","- C88 H52 O38 Zn10 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.1018","0.0607","","","0.1329","0.1482","","","","","","0.971","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210377","13.137","0.0007","15.3527","0.0007","24.3497","0.0011","90","","105.103","0.005","90","","4741.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H43.5 N O15.25 Zn3 -","- C50 H32.5 N O15.25 Zn3 -","- C200 H130 N4 O61 Zn12 -","4","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.1089","0.0573","","","0.0983","0.1171","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210378","9.842","0.002","12.262","0.003","20.186","0.004","90","","97.577","0.019","90","","2414.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 N4 O16 Zn3 -","- C52 H40 N4 O16 Zn3 -","- C104 H80 N8 O32 Zn6 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0944","0.0656","","","0.162","0.1854","","","","","","1.056","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210379","9.852","0.0004","12.241","0.0005","20.209","0.0008","90","","97.445","0.004","90","","2416.63","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 Cd3 N4 O16 -","- C52 H40 Cd3 N4 O16 -","- C104 H80 Cd6 N8 O32 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0585","0.0369","","","0.0523","0.0574","","","","","","0.996","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210380","11.1595","0.0004","12.9301","0.0004","16.9715","0.0007","95.211","0.003","91.367","0.003","111.342","0.003","2267.24","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H74 O40 Pb7 -","- C88 H50 O40 Pb7 -","- C88 H50 O40 Pb7 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0802","0.054","","","0.1238","0.1436","","","","","","1.034","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210381","10.113","0.0011","24.003","0.003","10.318","0.0007","90","","97.813","0.008","90","","2481.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H34 N6 O15 Zn4 -","- C50 H24 N6 O15 Zn4 -","- C100 H48 N12 O30 Zn8 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0877","0.0526","","","0.1023","0.1193","","","","","","1.015","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210382","10.5387","0.0008","10.7309","0.0008","12.8111","0.0014","105.788","0.008","108.142","0.008","98.441","0.006","1281.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0977","0.061","","","0.1192","0.1337","","","","","","1.018","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210383","23.296","0.001","10.993","0.0004","27.031","0.0009","90","","103.73","0.004","90","","6724.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N8 O18 Zn3 -","- C72 H50 N8 O18 Zn3 -","- C288 H200 N32 O72 Zn12 -","4","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0788","0.0516","","","0.1186","0.132","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210384","12.685","0.003","13.348","0.003","16.747","0.005","100.13","0.004","103.059","0.005","110.356","0.003","2487.2","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.0859","0.0555","","","0.1316","0.1545","","","","","","1.04","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210385","12.767","0.002","13.476","0.002","16.931","0.003","100.256","0.003","102.841","0.003","110.851","0.003","2546.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1181","0.0538","","","0.145","0.1784","","","","","","1.012","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210386","12.927","0.002","13.628","0.002","16.945","0.002","99.812","0.004","102.43","0.004","110.352","0.004","2633.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1222","0.0585","","","0.1431","0.1895","","","","","","0.999","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210387","8.968","0.0003","10.388","0.0004","11.414","0.0004","99.427","0.003","112.791","0.002","90.988","0.003","963.25","0.06","298","2","298","2","","","","","","","Crystal Screening","6","P 1","P 1","1","lamivudine 4,5-dichloro hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one 4,5-dichloro hydrogen phthalate","","- C16 H15 Cl2 N3 O7 S -","- C16 H15 Cl2 N3 O7 S -","- C32 H30 Cl4 N6 O14 S2 -","2","2","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","x-ray","0.71073","MoKα","","0.0615","0.0451","","","0.1098","0.12","","","","","","1.019","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210388","5.311","0.0005","21.103","0.002","33.059","","90","","94.675","0.006","90","","3692.9","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","lamivudine hydrogen hemihydrate phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen hemihydrate phthalate","","- C16 H18 N3 O7.5 S -","- C16 H18 N3 O7.5 S -","- C128 H144 N24 O60 S8 -","8","4","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","","0.71073","MoKα","","0.1503","0.065","","","0.1757","0.2532","","","","","","0.99","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210389","17.724","0.005","19.705","0.005","13.139","0.006","90","","127.496","0.002","90","","3641","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H20 N6 O10 Zn2 -","- C20 H18 N6 O10 Zn2 -","- C80 H72 N24 O40 Zn8 -","4","0.5","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.0515","0.0443","","","0.1415","0.1493","","","","","","1.08","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210390","8.23","0.004","21.274","0.01","14.195","0.007","90","","105.466","0.006","90","","2395","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 N6 O9.5 Zn2 -","- C20 H20 N6 O9.5 Zn2 -","- C80 H80 N24 O38 Zn8 -","4","2","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.078","0.0566","","","0.1462","0.1663","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210391","17.9896","0.0007","12.2939","0.0004","23.8922","0.0009","90","","107.805","0.004","90","","5031","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu5(L1)4(MeOH)4](ClO4)2","","","- C40 H56 Cl2 Cu5 N8 O20 -","- C40 H56 Cl2 Cu5 N8 O20 -","- C160 H224 Cl8 Cu20 N32 O80 -","4","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0611","0.0423","","","0.0842","0.091","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210392","11.283","0.002","11.482","0.002","13.688","0.003","72.42","0.03","80.58","0.03","61.8","0.03","1489.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)2](ClO4)2.py","","","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.045","0.0378","","","0.1089","0.1152","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210393","11.3067","0.0003","12.7372","0.0005","13.2511","0.0004","97.753","0.003","104.385","0.003","103.13","0.003","1762.79","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)6](ClO4)2","","","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0348","0.0267","","","0.0644","0.0681","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210394","11.3776","0.0007","12.6211","0.0009","12.6793","0.0008","90.229","0.006","107.558","0.006","104.589","0.006","1673.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(4,4-bpy)3](ClO4)2.H2O","","","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0953","0.0696","","","0.1798","0.2254","","","","","","1.023","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210395","12.6809","0.0003","10.7919","0.0003","20.7122","0.0005","90","","100.018","0.002","90","","2791.27","0.12","149.8","","149.8","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu5]-tzp","","","- C48 H56 Cl2 Cu5 N12 O18 -","- C48 H56 Cl2 Cu5 N12 O18 -","- C96 H112 Cl4 Cu10 N24 O36 -","2","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0574","0.0379","","","0.0798","0.0874","","","","","","1.025","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210396","9.3958","0.0019","26.777","0.005","10.69","0.002","90","","100.54","0.03","90","","2644.1","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu5]","","","- C40 H47 Cl2 Cu5 N12 O20 -","- C40 H47 Cl2 Cu5 N12 O20 -","- C80 H94 Cl4 Cu10 N24 O40 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0746","0.0482","","","0.0686","0.0758","","","","","","0.963","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210397","11.064","0.0003","12.275","0.0004","17.2399","0.0006","110.321","0.003","96.075","0.003","96.316","0.002","2156.1","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","[Cu5]","","","- C32 H40 Cl2 Cu5 N8 O21 -","- C32 H40 Cl2 Cu5 N8 O20.99 -","- C64 H80 Cl4 Cu10 N16 O41.98 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0456","0.0322","","","0.0742","0.0795","","","","","","1.063","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210398","5.1041","0.0007","5.9092","0.0008","6.5261","0.001","96.484","0.012","103.696","0.013","101.969","0.011","184.34","0.05","298","2","298","2","","","","","","","","5","P 1","P 1","1","NAC","N-acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0532","0.0522","","","0.1418","0.1426","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210399","6.0684","0.0006","7.6372","0.0009","16.005","0.002","90","","90","","90","","741.76","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NAC","N-Acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C20 H36 N4 O12 S4 -","4","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0718","0.0538","","","0.0864","0.0926","","","","","","1.109","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210400","19.8422","0.0006","13.8805","0.0004","17.235","0.0005","90","","101.477","0.001","90","","4651.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(adc)2].6H2O","","","- C44 H48 Mn2 N8 O14 -","- C44 H44 Mn2 N8 O14 -","- C176 H176 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0305","0.0267","","","0.068","0.071","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210401","20.877","0.005","14.366","0.003","16.576","0.004","90","","106.014","0.003","90","","4778.5","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(fumarate)2].8H2O","","","- C44 H56 Mn2 N8 O16 -","- C44 H52 Mn2 N8 O16 -","- C176 H208 Mn8 N32 O64 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0724","0.0445","","","0.1072","0.1186","","","","","","1.173","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210402","19.7966","0.0015","13.7795","0.0011","17.1799","0.0013","90","","101.871","0.003","90","","4586.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(succinate)2].6H2O","","","- C44 H56 Mn2 N8 O14 -","- C44 H52 Mn2 N8 O14 -","- C176 H208 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.047","0.0462","","","0.1167","0.1174","","","","","","0.919","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210403","12.616","0.004","18.479","0.005","20.409","0.006","90","","90","","90","","4758","2","113","2","113","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C20 H27 Ag F6 N4 O1.5 P -","- C20 H22 Ag F6 N4 O1.5 P -","- C160 H176 Ag8 F48 N32 O12 P8 -","8","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0287","0.0276","","","0.078","0.079","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210404","20.903","0.004","10.785","0.003","21.922","0.007","90","","90.808","0.013","90","","4942","2","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complexes","","","- C42 H56 Ag2 F12 N8 O2 P2 -","- C42 H56 Ag2 F12 N8 O2 P2 -","- C168 H224 Ag8 F48 N32 O8 P8 -","4","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1667","0.1235","","","0.2169","0.2438","","","","","","1.032","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210405","11.967","0.003","13.539","0.003","13.776","0.004","116.722","0.012","96.41","0.02","103.815","0.017","1873.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","1","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0415","0.0345","","","0.0688","0.0713","","","","","","0.985","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210406","16.08","0.006","26.639","0.009","25.248","0.008","90","","98.115","0.006","90","","10707","6","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H48.25 Ag F6 N6.5 O1.75 P -","- C51.5 H41 Ag F6 N6.25 O1.755 P -","- C412 H328 Ag8 F48 N50 O14.04 P8 -","8","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1036","0.0906","","","0.2328","0.2443","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210407","15.946","0.003","17.488","0.003","19.16","0.003","68.336","0.004","85.729","0.009","86.013","0.009","4946.7","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C226 H201 Ag4 F24 N19 O8 P4 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0656","0.0543","","","0.1345","0.1423","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210408","12.733","0.002","15.734","0.003","19.262","0.004","83.265","0.008","80.083","0.008","70.44","0.006","3574.5","1.2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H82 Ag F6 N6 O3 P -","- C77 H79 Ag F6 N6 O3 P -","- C154 H158 Ag2 F12 N12 O6 P2 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0465","0.0414","","","0.1159","0.1189","","","","","","1.047","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210409","10.2882","0.0005","19.9728","0.0011","35.485","0.002","90","","93.483","0.005","90","","7278.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H37.57 Br K0.81 O12.19 Ru S32 -","- C52 H37 Br K0.81 O12.19 Ru S32 -","- C208 H148 Br4 K3.24 O48.76 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0558","0.0431","","","0.0914","0.0969","","","","","","1.02","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210410","10.3683","0.0004","19.6056","0.0009","36.0834","0.0013","90","","90","","90","","7334.9","0.5","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H37.93 K0.69 N O12.31 Ru S32 -","- C53 H37 K0.69 N O12.31 Ru S32 -","- C212 H148 K2.76 N4 O49.24 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0794","0.0522","","","0.1103","0.1201","","","","","","1.018","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210411","11.0756","0.0005","11.6861","0.0004","17.838","0.001","75.754","0.003","77.852","0.002","69.903","0.003","2081.34","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","1","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0665","0.0325","","","0.0498","0.0549","","","","","","0.898","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210412","14.6158","0.0009","16.9169","0.0005","27.9857","0.0017","90","","102.458","0.003","90","","6756.7","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Mn N12 O28 U6 -","- C54 H48 Mn N12 O28 U6 -","- C216 H192 Mn4 N48 O112 U24 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0872","0.0384","","","0.0488","0.0559","","","","","","0.87","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210413","8.2664","0.0002","24.604","0.0009","25.7372","0.001","90","","91.575","0.002","90","","5232.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N6 Ni O25 U2 -","- C46 H42 N6 Ni O25 U2 -","- C184 H168 N24 Ni4 O100 U8 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0557","0.0308","","","0.0507","0.0543","","","","","","0.954","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210414","12.8461","0.0006","13.7347","0.0007","13.6634","0.0005","90","","115.429","0.003","90","","2177.18","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N2 O14 U -","- C18 H18 Cu N2 O14 U -","- C72 H72 Cu4 N8 O56 U4 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.062","0.0368","","","0.076","0.0813","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210415","7.1039","0.0002","12.1625","0.0007","22.2182","0.0014","103.229","0.003","92.916","0.004","100.199","0.004","1830.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cu N5 O21 U2 -","- C31 H23 Cu N5 O21 U2 -","- C62 H46 Cu2 N10 O42 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0438","0.0302","","","0.0625","0.0654","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210416","11.7697","0.0008","12.6971","0.001","15.9821","0.0007","86.772","0.005","79.231","0.005","63.746","0.004","2103.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N4 Ni O19 U2 -","- C32 H28 N4 Ni O19 U2 -","- C64 H56 N8 Ni2 O38 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.072","0.0393","","","0.0874","0.0944","","","","","","0.915","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210417","8.2402","0.0004","18.2164","0.0014","14.1658","0.0011","90","","91.122","0.004","90","","2126","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H32 Cu2 N6 O23 U2 -","- C34 H30 Cu2 N6 O23 U2 -","- C68 H60 Cu4 N12 O46 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.061","0.0545","","","0.1444","0.1483","","","","","","1.051","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210418","13.7551","0.0009","9.6373","0.0004","24.9546","0.0013","90","","92.515","0.004","90","","3304.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Mn N4 O15 U2 -","- C28 H22 Mn N4 O15 U2 -","- C112 H88 Mn4 N16 O60 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0725","0.0474","","","0.1002","0.1077","","","","","","1.044","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210419","11.524","0.0011","12.878","0.0013","14.498","0.0014","107.331","0.001","107.397","0.001","94.717","0.001","1925","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C40 H32 Cu4 N24 O46 Si W12 -","2","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71069","MoKα","","0.07","0.0477","","","0.102","0.1122","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210420","23.867","","18.177","","22.425","","90","","90","","90","","9728.65","","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.5 Cu6.5 N36 O44 Si W12 -","- C60 H26 Cu6.5 N36 O44 Si W12 -","- C240 H104 Cu26 N144 O176 Si4 W48 -","4","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71073","MoKα","","0.048","0.0424","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210421","25.2998","0.0038","16.844","0.0027","7.88987","0.00081","90","","90","","90","","3362.3","0.8","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:acridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.018","2.421","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210422","27.7697","0.0034","15.4238","0.002","7.98164","0.00085","90","","90","","90","","3418.7","0.7","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:phenantridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.023","4.176","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210423","7.81238","0.00087","19.0241","0.0017","12.788","0.0014","90","","91.1378","0.0067","90","","1900.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorescein:pyrazine cocrystal","","","- C24 H16 N2 O5 -","- C24 H16 N2 O5 -","- C96 H64 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.028","1.692","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210424","8.6428","0.0003","19.627","0.0007","20.9268","0.0009","90","","98.748","0.004","90","","3508.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","1.54184","CuKα","","0.0573","0.0426","","","0.1066","0.1176","","","","","","1.026","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210425","27.6912","0.0012","15.3574","0.0009","7.8814","0.0004","90","","90","","90","","3351.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0521","0.0383","","","0.0756","0.0808","","","","","","0.972","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210426","7.606","0.0004","11.1161","0.0009","12.0927","0.0008","115.965","0.007","93.139","0.005","92.811","0.006","914.8","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","1","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0721","0.0521","","","0.1379","0.1496","","","","","","1.055","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210427","8.7526","0.0008","12.8631","0.0011","14.0334","0.0014","67.419","0.009","86.643","0.008","74.314","0.008","1402.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N5 O7 -","- C12 H15 N5 O7 -","- C48 H60 N20 O28 -","4","2","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0682","0.0505","","","0.1236","0.1367","","","","","","1.061","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210428","8.1849","0.001","8.8476","0.0009","11.6567","0.0012","70.21","0.009","86.985","0.009","80.948","0.009","784.39","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O7 -","- C13 H19 N5 O7 -","- C26 H38 N10 O14 -","2","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0442","0.0366","","","0.0947","0.1011","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210429","21.3178","0.0015","6.4895","0.0005","29.435","0.002","90","","103.906","0.008","90","","3952.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N5 O11 -","- C14 H21 N5 O11 -","- C112 H168 N40 O88 -","8","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0672","0.0471","","","0.123","0.1408","","","","","","0.981","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210430","15.4477","0.0008","15.7463","0.0008","6.4254","0.0003","90","","90","","90","","1562.94","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KE14PCY13 4-HO-PhC(CN)=NOH, 2,3,5,6-Me4-pyridine-1-oxide","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0446","0.0384","","","0.1039","0.1095","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210431","12.9863","0.0009","11.4938","0.0007","14.1061","0.0009","90","","105.555","0.002","90","","2028.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KE14PCY20 4-HO-PhC(CN)=NOH, 1-[3-pyridylmethyl]-5,6-dimethylbenzimidazole","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0725","0.0532","","","0.1425","0.1558","","","","","","1.073","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210432","6.178","0.0003","16.1233","0.0009","16.2481","0.0009","85.088","0.002","87.986","0.003","81.153","0.002","1592.94","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPCY17 4-HO-PhC(CN)=NOH, [1-(4-pyridylmethyl)-5,6-dimethylbenzimidazole]2","","- C38 H36 N8 O2 -","- C38 H36 N8 O2 -","- C76 H72 N16 O4 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0784","0.0569","","","0.1541","0.1714","","","","","","1.072","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210433","12.1479","0.0008","12.4551","0.0009","13.6598","0.001","90","","105.563","0.003","90","","1991","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C92 H76 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0936","0.0394","","","0.1298","0.1405","","","","","","1.087","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210434","5.5844","0.0004","12.341","0.0009","12.6218","0.001","69.286","0.004","89.334","0.005","78.144","0.005","794.5","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPC11 4-HO-PhC(CN)=NOH, 4,4'-bipyridyl-1-oxide","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C36 H28 N8 O6 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0561","0.0466","","","0.1273","0.1372","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210435","16.2099","0.0006","11.0498","0.0004","12.7896","0.0005","90","","103.183","0.002","90","","2230.45","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl N2 O S2 -","- C26 H23 Cl N2 O S2 -","- C104 H92 Cl4 N8 O4 S8 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0495","0.035","","","0.0836","0.0916","","","","","","1.048","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210436","7.6912","0.0005","9.0394","0.0006","11.8022","0.0008","105.136","0.003","107.797","0.003","94.983","0.003","741.66","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0467","0.0364","","","0.1006","0.1081","","","","","","1.063","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210437","7.354","0.007","10.16","0.009","11.44","0.011","106.88","0.03","98.32","0.04","93.54","0.04","804.4","1.3","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C42 H26 N2 O2 S4 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0484","0.0371","","","0.0932","0.0998","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210438","16.6265","0.0017","5.0888","0.0004","20.302","0.0015","90","","103.401","0.008","90","","1671","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N O S -","- C21 H12 Cl N O S -","- C84 H48 Cl4 N4 O4 S4 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.1899","0.0589","","","0.1003","0.1357","","","","","","0.966","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210439","10.5666","0.0016","23.405","0.003","11.4006","0.0015","90","","101.661","0.002","90","","2761.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N6 O4 Zn -","- C28 H30 N6 O4 Zn -","- C112 H120 N24 O16 Zn4 -","4","1","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0714","0.0416","","","0.0988","0.1126","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210440","11.9375","0.0013","11.9375","0.0013","17.2686","0.0018","90","","90","","120","","2131.2","0.4","296","2","296","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","1","0.166667","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0527","0.0379","","","0.0971","0.111","","","","","","0.905","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210441","8.5555","0.0003","6.8611","0.0003","12.8473","0.0005","90","","97.594","0.002","90","","747.52","0.05","110","2","110","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Co N2 O10 -","- C13 H16 Co N2 O10 -","- C26 H32 Co2 N4 O20 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0307","0.0262","","","0.0678","0.0708","","","","","","1.093","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210442","16.2119","0.0004","10.9173","0.0003","15.7225","0.0004","90","","90","","90","","2782.73","0.12","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H12 Cu N2 O8 -","- C13 H12 Cu N2 O8 -","- C104 H96 Cu8 N16 O64 -","8","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0444","0.0368","","","0.0922","0.0965","","","","","","1.014","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210443","8.0452","0.0002","12.6682","0.0004","18.8489","0.0006","90","","94.329","0.001","90","","1915.57","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.034","0.0288","","","0.0696","0.0719","","","","","","1.009","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210444","7.9621","0.0002","12.726","0.0004","18.3006","0.0006","90","","90","","90","","1854.32","0.1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0305","0.0291","","","0.077","0.0781","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210445","10.7873","0.0002","26.9072","0.0005","22.3486","0.0003","90","","101.173","0.001","90","","6363.87","0.19","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Co4 N9 O27 -","- C54 H41 Co4 N9 O27 -","- C216 H164 Co16 N36 O108 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0394","0.0296","","","0.071","0.0739","","","","","","1.037","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210446","10.5259","0.0005","11.6385","0.0006","14.308","0.0006","105.079","0.002","103.924","0.002","100.717","0.002","1583.9","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mn2 N4 O13 -","- C26 H18 Mn2 N4 O13 -","- C52 H36 Mn4 N8 O26 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0701","0.0657","","","0.1929","0.1952","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210447","14.2941","0.0004","16.7256","0.0005","15.4016","0.0004","90","","115.904","0.002","90","","3312.22","0.17","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cd2 N5 O15.5 -","- C30 H29 Cd2 N5 O15.5 -","- C120 H116 Cd8 N20 O62 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0775","0.0498","","","0.1157","0.1292","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210453","25.9317","0.0014","9.034","0.0005","19.4396","0.001","90","","100.535","0.002","90","","4477.3","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F3 N3 Na O7 S -","- C17 H23 F3 N3 Na O7 S -","- C136 H184 F24 N24 Na8 O56 S8 -","8","2","","Remenar, Julius F.; Tawa, Mark D.; Peterson, Matthew L.; Almarsson, Örn; Hickey, Magali B.; Foxman, Bruce M.","Celecoxib sodium salt: engineering crystal forms for performance","CrystEngComm","2011","13","4","1081","1089","10.1039/c0ce00475h","","","0.71073","MoKα","","0.0623","0.0431","","0.1163","0.1065","0.1163","","","","","","0.984","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7210454","5.5","","5.128","","21.95","","90","","97.37","","90","","613.963","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Schmidt, Christiane; Yürüdü, Caner; Wachsmuth, Anika; Ulrich, Joachim","Modeling the morphology of benzoic acid crystals grown from aqueous solution","CrystEngComm","2011","13","4","1159","1169","10.1039/c0ce00540a","","","","","","","","","","","","","","","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210455","4.0813","0.0002","10.7319","0.0007","22.59","0.0011","90","","90","","90","","989.44","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NmoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0848","0.0486","","","0.1074","0.1248","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210456","4.803","0.0004","19.1318","0.0018","10.8759","0.0008","90","","99.276","0.005","90","","986.32","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NooF","","","- C12 H8.97 Cl0.03 F N2 O -","- C12 H8.968 Cl0.032 F N2 O -","- C48 H35.872 Cl0.128 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MolybdenumKα","","0.1325","0.0568","","","0.1227","0.1535","","","","","","0.995","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210457","5.426","0.0002","7.4928","0.0003","24.0074","0.0009","80.9694","0.0018","90.041","0.002","90.243","0.002","963.94","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","NppF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.051","","","0.1233","0.142","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210458","11.0723","0.0007","12.8655","0.0008","7.9596","0.0003","90","","114.444","0.004","90","","1032.22","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0553","0.0418","","","0.1021","0.1133","","","","","","1.038","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210459","10.9275","0.0005","12.8165","0.0004","8.2422","0.0004","90","","117.13","0.002","90","","1027.33","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0616","0.0506","","","0.1237","0.1353","","","","","","1.062","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210460","9.7585","0.0003","9.7644","0.0002","21.17","0.0006","96.1397","0.0017","95.7365","0.0014","89.9958","0.0018","1995.47","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","NmpF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","4","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.0504","","","0.1105","0.1242","","","","","","1.039","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210461","8.8514","0.0006","12.1628","0.001","9.6489","0.0005","90","","105.823","0.004","90","","999.42","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NmmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0746","0.0444","","","0.1023","0.1181","","","","","","1.05","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210462","8.0622","0.0009","6.0665","0.0004","20.392","0.002","90","","95.296","0.004","90","","993.1","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NopF","","","- C12 H8.96 Cl0.04 F N2 O -","- C12 H8.958 Cl0.042 F N2 O -","- C48 H35.832 Cl0.168 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.142","0.0634","","","0.1333","0.1656","","","","","","1.029","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210463","5.7289","0.0002","23.2077","0.0013","15.1001","0.0009","90","","95.26","0.003","90","","1999.17","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NomF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.19","0.0742","","","0.162","0.223","","","","","","1.067","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210464","9.122","0.005","9.56","0.005","14.181","0.005","102.828","0.005","102.183","0.005","107.82","0.005","1094.9","0.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo(3,4-d) pyrimidin-1- yl)-2-methylenyl propane","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo[3,4-d] pyrimidin-1-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C36 H40 N16 S8 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71069","MoKα","","0.0397","0.0369","","","0.099","0.1017","","","","","","1.033","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210465","16.357","0.003","10.062","0.002","13.506","0.003","90","","90","","90","","2222.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C72 H80 N32 S16 -","4","0.5","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0426","0.0371","","","0.1023","0.1066","","","","","","1.065","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210466","9.3786","0.0017","23.547","0.004","18.543","0.003","90","","90.617","0.003","90","","4094.8","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","","- C28 H22 N2 -","- C28 H22 N2 -","- C224 H176 N16 -","8","4","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0954","0.0627","","","0.1473","0.2046","","","","","","1.117","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210467","10.1518","0.001","8.7585","0.0009","24.492","0.003","90","","101.961","","90","","2130.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo (3,4- d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 S2 -","- C23 H21 N5 S2 -","- C92 H84 N20 S8 -","4","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0639","0.0434","","","0.1127","0.1224","","","","","","1.053","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210468","8.5125","0.0005","10.6289","0.0007","11.9705","0.0008","70.965","0.003","81.944","0.003","86.356","0.003","1013.56","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H- pyrazolo (3,4-d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 O S -","- C23 H21 N5 O S -","- C46 H42 N10 O2 S2 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0566","0.0437","","","0.1174","0.127","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210469","11.3","0.006","19.44","0.011","21.466","0.013","90","","90","","90","","4715","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H42 Ca5 N12 O32 -","- C30 H42 Ca5 N12 O32 -","- C120 H168 Ca20 N48 O128 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0982","0.0786","","","0.2105","0.2263","","","","","","1.099","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210470","9.993","0.005","20.997","0.01","22.177","0.011","90","","90","","90","","4653","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cd3 N6 O16 -","- C15 H12 Cd3 N6 O16 -","- C120 H96 Cd24 N48 O128 -","8","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0791","0.0623","","","0.1474","0.1685","","","","","","1.109","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210471","10.005","0.005","10.433","0.005","14.519","0.007","94.798","0.004","109.001","0.007","99.623","0.007","1397.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","1","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0651","0.051","","","0.1531","0.1688","","","","","","1.091","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210472","20.063","0.008","12.64","0.005","21.168","0.008","90","","90.742","0.007","90","","5368","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H59 Cu4 N12 Na O40 -","- C30 H24 Cu4 N12 Na O40 -","- C120 H96 Cu16 N48 Na4 O160 -","4","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.1173","0.1","","","0.2311","0.2497","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210473","8.4701","0.0017","8.969","0.0018","9.4258","0.0019","95.7","0.03","115.11","0.03","95.39","0.03","637.8","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Ce N O12 -","- C9 H10 Ce N O12 -","- C18 H20 Ce2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.028","0.0243","","","0.0536","0.0546","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210474","6.759","0.0014","13.978","0.003","15.517","0.004","90","","113.3","0.03","90","","1346.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O12 Sm -","- C9 H9 K N O12 Sm -","- C36 H36 K4 N4 O48 Sm4 -","4","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0688","0.0587","","","0.1377","0.1428","","","","","","1.13","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210475","8.4864","0.0017","8.9615","0.0018","9.4369","0.0019","95.53","0.03","115.45","0.03","95.45","0.03","637.6","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Pr -","- C9 H10 N O12 Pr -","- C18 H20 N2 O24 Pr2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0309","0.0275","","","0.0602","0.0609","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210476","8.4917","0.0017","9.0243","0.0018","9.0255","0.0018","78.37","0.03","65.06","0.03","84.04","0.03","614.1","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 La N O12 -","- C9 H10 La N O12 -","- C18 H20 La2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0268","0.0239","","","0.0558","0.0571","","","","","","1.131","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210477","8.69","0.006","8.933","0.006","9.369","0.006","77.65","0.03","80.88","0.02","71.042","0.019","668.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Tb -","- C9 H10 N O12 Tb -","- C18 H20 N2 O24 Tb2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0467","0.0424","","","0.1301","0.1312","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210478","8.718","0.003","8.963","0.003","9.39","0.004","77.884","0.016","80.88","0.015","71.22","0.015","675.9","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Eu N O12 -","- C9 H10 Eu N O12 -","- C18 H20 Eu2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0603","0.0474","","","0.1047","0.1091","","","","","","0.939","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210481","14.3152","0.0016","18.995","0.002","12.6405","0.0014","90","","90","","90","","3437.2","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H32 Cu2 N4 O16 -","- C32 H32 Cu2 N4 O16 -","- C128 H128 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0769","0.0403","","","0.0985","0.1163","","","","","","1.007","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210482","9.8482","0.0011","20.186","0.002","16.4951","0.0015","90","","123.748","0.005","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cu N4 O9 -","- C25 H22 Cu N4 O9 -","- C100 H88 Cu4 N16 O36 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0876","0.0555","","","0.1497","0.1623","","","","","","1.067","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210483","22.415","0.003","19.083","0.003","12.1863","0.0016","90","","115.048","0.003","90","","4722.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H28 Cu2 N4 O16 -","- C34 H28 Cu2 N4 O16 -","- C136 H112 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0738","0.0421","","","0.0892","0.0958","","","","","","0.962","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210484","9.8482","0.0011","20.186","0.002","13.7326","0.0016","90","","92.857","0.002","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cu N4 O8.5 -","- C25 H21 Cu N4 O8.5 -","- C100 H84 Cu4 N16 O34 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0891","0.0568","","","0.1663","0.1889","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210485","11.695","0.004","17.175","0.006","7.861","0.003","90","","91.037","0.007","90","","1578.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Br N O2 Pb -","- C6 H4 Br N O2 Pb -","- C48 H32 Br8 N8 O16 Pb8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.1169","0.0972","","","0.2662","0.2907","","","","","","1.103","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210486","6.0675","0.0003","6.9454","0.0003","19.8525","0.0008","90","","90","","90","","836.61","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O3 Pb -","- C6 H6 Br N O3 Pb -","- C24 H24 Br4 N4 O12 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.0493","0.049","","","0.114","0.1141","","","","","","1.231","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210487","11.7518","0.0009","16.3475","0.0012","23.4131","0.0018","90","","90","","90","","4498","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cu2 N8 O14 -","- C38 H44 Cu2 N8 O14 -","- C152 H176 Cu8 N32 O56 -","4","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.1135","0.0782","","","0.159","0.175","","","","","","1.073","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210488","8.2119","0.0008","8.7239","0.0009","14.2024","0.0014","90.923","0.002","96.679","0.002","99.903","0.002","994.82","0.17","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","1","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0832","0.0846","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210489","11.7263","0.001","19.1424","0.001","21.0208","0.0014","90","","90","","90","","4718.5","0.6","223","2","223","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H32 Cu N4 O10 -","- C16 H32 Cu N4 O10 -","- C128 H256 Cu8 N32 O80 -","8","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.053","0.0461","","","0.101","0.1038","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210490","6.9339","0.0005","8.4735","0.0006","15.3249","0.001","75.124","0.002","82.496","0.002","80.882","0.002","855.41","0.1","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","2","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0806","0.0617","","","0.1327","0.1532","","","","","","1.049","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210491","6.78048","0.00006","18.42351","0.00023","5.86807","0.00006","90","","90","","90","","733.041","0.013","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 Ca O5 -","- C5 Ca O5 -","- C20 Ca4 O20 -","4","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.06356","","3.66","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210492","20.659","0.008","20.659","0.008","8.637","0.002","90","","90","","120","","3192.4","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","BioMIL-2ht","","","- C5 H6 Ca O4 -","- C5 H6 Ca O4 -","- C90 H108 Ca18 O72 -","18","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","","","0.71073","MoKα","","0.202","0.0699","","","0.1438","0.1829","","","","","","0.891","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210493","24.2864","0.001","11.3217","0.0005","16.9668","0.0007","90","","107.988","0.002","90","","4437.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O11 -","- C22 H26 N2 O11 -","- C176 H208 N16 O88 -","8","1","","Elbagerma, M. A.; Edwards, H. G. M.; Munshi, T.; Scowen, I. J.","Identification of a new cocrystal of citric acid and paracetamol of pharmaceutical relevance","CrystEngComm","2011","13","6","1877","","10.1039/c0ce00461h","","","0.71073","MoKα","","0.0839","0.0474","","","0.0811","0.092","","","","","","1.011","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210494","10.568","0.002","13.363","0.003","13.111","0.003","90","","112.4","0.03","90","","1711.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H47 Co2 N4 O9.5 -","- C34 H47 Co2 N4 O9.5 -","- C68 H94 Co4 N8 O19 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.044","0.0355","","","0.0913","0.1054","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210495","7.4338","0.0006","20.8333","0.0016","22.0157","0.0015","90","","90.768","0.001","90","","3409.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 Cd N4 O8 -","- C34 H46 Cd N4 O8 -","- C136 H184 Cd4 N16 O32 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0681","0.0544","","","0.1394","0.169","","","","","","1.092","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210496","7.146","0.0004","20.3903","0.0011","22.8153","0.0012","90","","91.79","0.004","90","","3322.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 N4 O8 Zn -","- C34 H46 N4 O8 Zn -","- C136 H184 N16 O32 Zn4 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.1072","0.0636","","","0.1593","0.1924","","","","","","1.028","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210497","21.088","0.004","12.195","0.002","12.63","0.003","90","","120.74","0.03","90","","2791.7","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H34 Co2 N4 O7 -","- C26 H34 Co2 N4 O7 -","- C104 H136 Co8 N16 O28 -","4","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0663","0.0478","","","0.1092","0.12","","","","","","1.025","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210498","12.623","0.003","12.253","0.003","18.244","0.004","90","","95.69","0.03","90","","2807.9","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H34 N4 O7 Zn2 -","- C26 H34 N4 O7 Zn2 -","- C104 H136 N16 O28 Zn8 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0642","0.0487","","","0.129","0.1475","","","","","","1.058","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210499","10.309","0.004","13.977","0.005","15.65","0.006","71.099","0.006","84.32","0.005","72.49","0.006","2034.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cd2 N8 O14 -","- C40 H28 Cd2 N8 O14 -","- C80 H56 Cd4 N16 O28 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0554","0.0346","","","0.081","0.0987","","","","","","1.1","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210500","29.7088","0.001","29.7088","0.001","10.3135","0.0007","90","","90","","90","","9102.8","0.8","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H14 Cd N4 O5 -","- C21 H14 Cd N4 O5 -","- C336 H224 Cd16 N64 O80 -","16","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0796","0.0563","","","0.1334","0.1488","","","","","","1.081","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210501","21.225","0.002","17.3202","0.0018","21.869","0.002","90","","101.709","0.002","90","","7872.2","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H68 Cd4 N12 O33 -","- C72 H62 Cd4 N12 O33 -","- C288 H248 Cd16 N48 O132 -","4","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0358","0.0294","","","0.0679","0.0714","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210502","23.9052","0.0009","16.4095","0.0006","10.3284","0.0004","90","","102.334","0.001","90","","3958","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd2 N4 O13 -","- C36 H40 Cd2 N4 O13 -","- C144 H160 Cd8 N16 O52 -","4","0.5","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0386","0.0282","","","0.0688","0.0749","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210503","12.912","0.0018","14.868","0.002","17.797","0.003","99.296","0.002","107.664","0.002","100.141","0.003","3119.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Cd2 N12 O23 -","- C52 H38 Cd2 N12 O23 -","- C104 H76 Cd4 N24 O46 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.1199","0.0543","","","0.1419","0.1806","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210504","10.2623","0.0006","10.887","0.0006","10.9849","0.0007","70.711","0.001","73.583","0.001","70.18","0.001","1069.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N5 O8 -","- C20 H11 Cd N5 O8 -","- C40 H22 Cd2 N10 O16 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0298","0.0261","","","0.0719","0.0745","","","","","","1.09","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210505","16.2942","0.0003","15.3925","0.0004","50.4286","0.0013","90","","96.817","0.002","90","","12558.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H364 Cl24 N24 Nd8 O74 -","- C168 H312 Cl24 N24 Nd8 O74 -","- C336 H624 Cl48 N48 Nd16 O148 -","2","0.5","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1024","0.0574","","","0.0634","0.0686","","","","","","1.004","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210506","41.1341","0.0003","41.1341","0.0003","41.1341","0.0003","90","","90","","90","","69599.5","0.9","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C168 H478 Cl36 Dy12 N24 O131 -","- C168 H312 Cl36 Dy12 N24 O131 -","- C1344 H2496 Cl288 Dy96 N192 O1048 -","8","0.333333","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1547","0.0585","","","0.0889","0.0959","","","","","","0.962","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210507","14.5606","0.0003","27.2041","0.0005","29.0262","0.0005","90","","90.814","0.002","90","","11496.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 La3 N10 O66 -","- C70 H130 Cl9 La3 N10 O66 -","- C280 H520 Cl36 La12 N40 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0575","0.0374","","","0.082","0.0846","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210508","14.524","0.0002","27.1221","0.0005","28.9263","0.0005","90","","90.599","0.002","90","","11394.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 N10 Nd3 O66 -","- C70 H130 Cl9 N10 Nd3 O66 -","- C280 H520 Cl36 N40 Nd12 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1096","0.0874","","","0.2051","0.2126","","","","","","1.064","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210509","13.1386","0.0002","26.5893","0.0006","26.6992","0.0005","90","","90","","90","","9327.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 Dy4 N6 O66 -","- C42 H82 Cl8 Dy4 N6 O66 -","- C168 H328 Cl32 Dy16 N24 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0574","0.0382","","","0.0481","0.0503","","","","","","0.825","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210510","13.0726","0.0002","26.5154","0.0004","26.5492","0.0003","90","","90","","90","","9202.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 N6 O66 Yb4 -","- C42 H82 Cl8 N6 O66 Yb4 -","- C168 H328 Cl32 N24 O264 Yb16 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0359","0.0286","","","0.0462","0.0471","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210511","6.7993","0.0004","19.135","0.001","12.7204","0.0006","90","","94.261","0.002","90","","1650.41","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C60 H88 Ag4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0566","0.0315","","","0.0511","0.054","","","","","","1.065","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210512","6.4924","0.0004","13.0691","0.0008","13.8015","0.0007","90.224","0.002","95.777","0.002","98.978","0.002","1150.6","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0594","0.0393","","","0.0959","0.1032","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210513","8.417","0.003","10.601","0.004","38.544","0.011","90","","95.129","0.011","90","","3425","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H116 Au2 N8 -","- C66 H116 Au2 N8 -","- C132 H232 Au4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.153","0.0572","","","0.0814","0.1001","","","","","","1.042","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210514","6.5286","0.0013","12.843","0.003","13.746","0.003","89.31","0.03","83.39","0.03","81.26","0.03","1131.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0512","0.034","","","0.069","0.0733","","","","","","1.021","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210515","6.6481","0.0003","11.9345","0.0006","22.3115","0.001","78.366","0.003","88.925","0.004","85.506","0.003","1728.53","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1269","0.0556","","","0.0999","0.1155","","","","","","1.111","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210516","6.5879","0.0002","11.3381","0.0004","12.2853","0.0004","112.829","0.001","91.858","0.001","104.274","0.001","811.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0303","0.0225","","","0.0552","0.0587","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210517","9.2183","0.0007","9.5015","0.0007","24.6412","0.0018","83.832","0.003","81.225","0.002","76.505","0.003","2068.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 Cl2 N4 O2 -","- C38 H72 Cl2 N4 O2 -","- C76 H144 Cl4 N8 O4 -","2","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1236","0.0562","","","0.1197","0.1466","","","","","","1.025","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210518","8.7957","0.0003","26.8487","0.0008","10.6539","0.0004","90","","105.745","0.002","90","","2421.55","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-Diphenyl-ethane-1,2-dione monooxime","1,2-Diphenyl-ethane-1,2-dione monooxime","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0888","0.0494","","","0.1509","0.1757","","","","","","0.953","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210519","6.9211","0.0003","7.0512","0.0002","22.9837","0.0007","90","","93.948","0.002","90","","1118.99","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0725","0.0603","","","0.1561","0.1663","","","","","","1.135","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210520","6.015","0.001","7.3126","0.0013","31.207","0.006","90","","90","","90","","1372.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0861","0.0733","","","0.1662","0.1709","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210521","19.219","0.003","11.4306","0.0012","19.51","0.003","90","","90","","90","","4286","1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0774","0.0443","","","0.1007","0.1111","","","","","","1.066","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210522","11.6509","0.0011","8.9059","0.001","14.749","0.0015","90","","109.79","0.001","90","","1440","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Hg2 N2 O8 -","- C14 H6 Hg2 N2 O8 -","- C56 H24 Hg8 N8 O32 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0348","0.0259","","","0.0576","0.0602","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210523","8.3973","0.0017","20.078","0.004","13.076","0.004","90","","125.08","0.02","90","","1804.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Hg N3 O6 -","- C19 H15 Hg N3 O6 -","- C76 H60 Hg4 N12 O24 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0438","0.0386","","","0.1187","0.1227","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210524","17.0665","0.0019","6.853","0.001","15.3784","0.0014","90","","116.652","0.001","90","","1607.5","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Ca Hg N3 O7 S2 -","- C9 H9 Ca Hg N3 O7 S2 -","- C36 H36 Ca4 Hg4 N12 O28 S8 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0445","0.0287","","","0.0624","0.0681","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210525","30.74","0.003","6.8408","0.0005","15.7361","0.0018","90","","100.679","0.002","90","","3251.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Hg N3 O7 S2 Sr -","- C9 H9 Hg N3 O7 S2 Sr -","- C72 H72 Hg8 N24 O56 S16 Sr8 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0557","0.0443","","","0.1116","0.1176","","","","","","0.997","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210526","30.645","0.003","7.0037","0.0009","15.9747","0.0019","90","","100.309","0.002","90","","3373.3","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Ba Hg N3 O7 S2 -","- C9 H9 Ba Hg N3 O7 S2 -","- C72 H72 Ba8 Hg8 N24 O56 S16 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.071","0.0366","","","0.0526","0.0589","","","","","","0.849","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210527","12.1516","0.0005","8.0418","0.0003","18.4027","0.0008","90","","98.503","0.001","90","","1778.56","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O6 Zn -","- C16 H16 N2 O6 Zn -","- C64 H64 N8 O24 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0578","0.0485","","","0.0924","0.0962","","","","","","1.213","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210528","8.0228","0.0003","8.1119","0.0003","19.1586","0.0008","78.6019","0.0014","87.3341","0.0013","88.6256","0.0014","1220.79","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N2 O15 Zn2 -","- C22 H23 N2 O15 Zn2 -","- C44 H46 N4 O30 Zn4 -","2","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0533","0.045","","","0.1079","0.1178","","","","","","1.196","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210529","12.2208","0.0002","12.2208","0.0002","25.9835","0.0007","90","","90","","120","","3360.68","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O48 Sc7 -","- C30 H18 O48 Sc7 -","- C90 H54 O144 Sc21 -","3","0.166667","","Bernini, Maria Celeste; Snejko, Natalia; Gutierrez-Puebla, Enrique; Monge, Angeles","From globular star-shaped molecules to self-assembled nano-spheres: a novel scandium croconate polynuclear complex","CrystEngComm","2011","13","6","1797","","10.1039/c0ce00649a","","","1.54178","CuKα","","0.0313","0.029","","","0.087","0.0881","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210530","14.4171","0.0008","8.0418","0.0004","31.454","0.002","90","","90","","90","","3646.8","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0867","0.0364","","","0.0629","0.076","","","","","","0.991","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210531","14.4059","0.0011","7.9797","0.0003","31.467","0.002","90","","90","","90","","3617.3","0.4","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0817","0.04","","","0.0705","0.0839","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210532","14.3893","0.0012","7.9176","0.0004","31.485","0.003","90","","90","","90","","3587","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0891","0.0431","","","0.0699","0.0824","","","","","","0.975","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210533","14.3879","0.0013","7.8591","0.0008","31.494","0.003","90","","90","","90","","3561.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0596","0.0353","","","0.0696","0.0777","","","","","","1.031","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210534","14.3623","0.0006","7.823","0.0004","31.5402","0.0013","90","","90","","90","","3543.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0464","0.0335","","","0.0797","0.0845","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210535","14.384","0.0005","7.7638","0.0003","31.8297","0.0011","90","","90","","90","","3554.6","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0678","0.0515","","","0.132","0.1371","","","","","","1.276","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210536","14.365","0.0005","7.7434","0.0002","31.8361","0.001","90","","90","","90","","3541.25","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0388","0.032","","","0.0717","0.0744","","","","","","1.125","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210537","12.4169","0.0006","9.8259","0.0006","14.0212","0.0009","90","","91.585","0.005","90","","1710.03","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1338","0.0517","","","0.1041","0.1332","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210538","12.0232","0.0012","8.3543","0.0012","17.166","0.002","90","","98.84","0.005","90","","1703.8","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1105","0.0535","","","0.1353","0.1646","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210539","5.6686","0.0002","7.1886","0.0003","12.3615","0.0005","75.833","0.002","80.649","0.001","79.137","0.001","476.06","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0523","","","","","","1.055","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210540","10.7778","0.0005","11.612","0.0005","18.5198","0.0009","90","","97.184","0.003","90","","2299.59","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 Cl2 O4 -","- C21 H20 Br2 Cl2 O4 -","- C84 H80 Br8 Cl8 O16 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1208","0.0473","","","0.0853","0.1027","","","","","","1.006","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210541","7.7087","0.0005","8.0642","0.0003","9.4794","0.0006","85.956","0.002","88.701","0.002","63.24","0.002","524.83","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1061","0.1092","","","","","","1.095","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210542","27.6859","0.0005","16.9435","0.0004","28.0346","0.0006","90","","101.603","0.001","90","","12882.2","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 O13 S7 Tb -","- C38 H57 O13 S7 Tb -","- C304 H456 O104 S56 Tb8 -","8","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.079","0.0547","","","0.1528","0.1671","","","","","","1.046","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210543","16.5736","0.0007","21.7897","0.0008","35.132","0.0014","90","","90","","90","","12687.4","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Eu2 O29 S17 -","- C82 H132 Eu2 O29 S17 -","- C328 H528 Eu8 O116 S68 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0859","0.061","","","0.1343","0.143","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210544","8.7097","0.0003","14.0738","0.0005","16.2065","0.0006","114.085","0.002","91.028","0.002","94.463","0.002","1805.42","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Eu N O8 S3 -","- C33 H32 Eu N O8 S3 -","- C66 H64 Eu2 N2 O16 S6 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0774","0.0589","","","0.1475","0.1621","","","","","","1.029","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210545","8.6455","0.0012","14.142","0.002","16.283","0.003","114.24","0.009","91.363","0.009","94.361","0.01","1806.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 N O8 S3 Tb -","- C33 H32 N O8 S3 Tb -","- C66 H64 N2 O16 S6 Tb2 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0659","0.0523","","","0.1373","0.1448","","","","","","0.972","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210546","23.125","0.003","10.7039","0.0007","21.391","0.005","90","","118.741","0.005","90","","4642.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 I2 N8 O2 S2 -","- C10 H22 Cu2 I2 N8 O2 S2 -","- C80 H176 Cu16 I16 N64 O16 S16 -","8","1","","Li, Hao-Hong; Wang, Yun-Jie; Dong, Hai-Jun; Chen, Zhi-Rong; Wu, Yan-Ling; Wang, Min; Huang, Shu-Wei","An organic‒inorganic hybrid heterobridging luminescent copper(i) polymer exhibiting thermochromic behavior","CrystEngComm","2011","13","6","1778","","10.1039/c0ce00754d","","","0.71073","MoKα","","0.0526","0.0424","","","0.1176","0.1261","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210547","10.852","0.005","13.748","0.007","13.879","0.007","90","","97.856","0.008","90","","2051.2","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Olanzapine-Maleic acid 1:1","","","- C21 H24 N4 O4 S -","- C21 H24 N4 O4 S -","- C84 H96 N16 O16 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.0502","0.0418","","","0.1125","0.1188","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210548","8.518","0.003","9.804","0.004","16.21","0.006","95.956","0.007","97.945","0.007","107.789","0.007","1261.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-Maleic acid 1:2","","","- C25 H28 N4 O8 S -","- C25 H28 N4 O8 S -","- C50 H56 N8 O16 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.1167","0.0864","","","0.1789","0.1987","","","","","","1.243","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210549","14.1795","0.0003","23.7646","0.0005","18.7113","0.0005","90","","90","","90","","6305.1","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H52.5 K1.5 O32 Zn5 -","- C54 H48 K1.5 O32 Zn5 -","- C216 H192 K6 O128 Zn20 -","4","1","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.0811","0.0557","","","0.1485","0.1674","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210550","7.1319","0.0014","24.327","0.005","18.849","0.004","90","","90","","90","","3270.3","1.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Na2 O16.5 Zn2 -","- C27 H22 Na2 O16.5 Zn2 -","- C108 H88 Na8 O66 Zn8 -","4","0.5","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.103","0.0651","","","0.1675","0.1974","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210551","24.2508","0.0006","12.6282","0.0003","13.2061","0.0003","90","","119.793","0.001","90","","3509.74","0.15","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H27 Ag2 N8 O10 -","- C33 H21 Ag2 N8 O10 -","- C132 H84 Ag8 N32 O40 -","4","0.5","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0975","0.1038","","","","","","1.048","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210552","24.0171","0.0011","10.0687","0.0005","18.5808","0.0008","90","","90","","90","","4493.2","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H35 Ag2 N9 O13 -","- C44 H32 Ag2 N9 O13 -","- C176 H128 Ag8 N36 O52 -","4","1","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0732","0.0466","","","0.0866","0.1009","","","","","","1.141","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210553","7.8571","0.0016","10.889","0.002","11.869","0.002","69.57","0.03","75.68","0.03","70.86","0.03","888.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H0 Co2 N0 O0 -","- C40 H28 Co2 N8 O8 -","- C40 H28 Co2 N8 O8 -","1","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0823","0.0668","","","0.1783","0.1864","","","","","","1.168","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210554","27.028","0.005","10.493","0.002","17.871","0.004","90","","120.32","0.03","90","","4375","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Co3 N8 O16 -","- C42 H34 Co3 N8 O16 -","- C168 H136 Co12 N32 O64 -","4","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0335","0.0298","","","0.0696","0.0711","","","","","","1.126","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210555","9.5455","0.0019","10.271","0.002","10.628","0.002","62.03","0.03","68.68","0.03","83.38","0.03","855.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Co N4 O5 -","- C17 H13 Co N4 O5 -","- C34 H26 Co2 N8 O10 -","2","1","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.058","0.0436","","","0.09","0.0953","","","","","","1.075","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210556","12.7109","0.0003","9.5071","0.0003","12.7444","0.0004","90","","90","","90","","1540.08","0.08","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H10 Br F4 N3 -","- C15 H10 Br F4 N3 -","- C60 H40 Br4 F16 N12 -","4","1","","Saunders, Graham C.","On the importance of π‒π stacking and cation‒anion interactions in the construction of non-centrosymmetric networks of bromide salts of imidazolium cations bearing arene and polyfluoroarene rings","CrystEngComm","2011","13","6","1801","","10.1039/c1ce00003a","","","0.71073","MoKα","","0.0261","0.0214","","","0.0511","0.0528","","","","","","1.047","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210558","9.1069","0.0012","10.5452","0.0013","13.5137","0.0017","100.441","0.001","102.85","0.001","102.922","0.001","1196.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 La2 O15 S3 -","- C18 H12 La2 O15 S3 -","- C36 H24 La4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0197","0.0179","","","0.0446","0.0459","","","","","","1.001","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210559","9.0148","0.0015","10.4259","0.0018","13.458","0.002","100.259","0.002","102.113","0.002","103.114","0.002","1170.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 O15 Pr2 S3 -","- C18 H12 O15 Pr2 S3 -","- C36 H24 O30 Pr4 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0237","0.0216","","","0.0554","0.0568","","","","","","1.059","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210560","9.0536","0.0011","10.4806","0.0012","13.4765","0.0016","100.386","0.001","102.395","0.001","103.042","0.001","1181","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Ce2 O15 S3 -","- C18 H12 Ce2 O15 S3 -","- C36 H24 Ce4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0229","0.021","","","0.0514","0.0526","","","","","","1.052","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210561","11.042","0.0007","42.906","0.001","15.604","0.003","90","","97.004","0.001","90","","7337.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H64 N12 O22 Zn3 -","- C68 H48 N12 O14 Zn3 -","- C272 H192 N48 O56 Zn12 -","4","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0624","","","0.1658","0.182","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210562","16.6","0.0006","9.298","0.0006","43.166","0.003","90","","100.424","0.001","90","","6552.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 N12 O18 Zn3 -","- C68 H44 N12 O18 Zn3 -","- C272 H176 N48 O72 Zn12 -","4","0.5","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1117","0.0531","","","0.1335","0.1721","","","","","","0.989","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210563","12.834","0.0012","16.313","0.0015","17.983","0.0017","73.818","0.001","82.768","0.001","67.562","0.001","3341.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N12 O18 Zn3 -","- C68 H48 N12 O18 Zn3 -","- C136 H96 N24 O36 Zn6 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0985","0.0525","","","0.1185","0.1396","","","","","","0.972","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210564","8.703","0.001","10.52","0.0012","11.84","0.0013","81.291","0.002","76.006","0.002","88.202","0.002","1039.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N2 O8 Zn -","- C22 H17 N2 O8 Zn -","- C44 H34 N4 O16 Zn2 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0942","0.0543","","","0.1408","0.1795","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210565","10.068","0.004","10.373","0.004","14.022","0.006","78.26","0.006","83.303","0.006","67.218","0.006","1320.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N4 O8 Zn2 -","- C28 H20 N4 O8 Zn2 -","- C56 H40 N8 O16 Zn4 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0671","","","0.1746","0.2118","","","","","","1.033","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210566","8.029","0.0002","9.8549","0.0003","14.3776","0.0004","90","","90","","90","","1137.63","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N3 P S -","- C6 H12 Ag N3 P S -","- C24 H48 Ag4 N12 P4 S4 -","4","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0294","0.0258","","","0.0548","0.0559","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210567","9.5475","0.0003","11.44","0.0003","13.2092","0.0004","90","","109.974","0.001","90","","1355.97","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H32 Ag4 N6 O12 P2 S4 -","- C12 H32 Ag4 N6 O12 P2 S4 -","- C24 H64 Ag8 N12 O24 P4 S8 -","2","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0161","0.016","","","0.0401","0.0402","","","","","","1.034","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210568","7.003","0.003","9.8","0.004","10.744","0.004","63.29","0.004","87.998","0.005","70.983","0.004","617.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0848","0.0553","","","0.1223","0.1496","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210569","7.555","0.0005","9.5468","0.0006","10.3006","0.0006","113.679","0.001","91.987","0.001","104.327","0.001","651.67","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0398","0.0365","","","0.0788","0.0815","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210570","10.135","0.003","13.562","0.004","20.655","0.006","90","","90","","90","","2839","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br2 N6 O Zn -","- C10 H10 Br2 N6 O Zn -","- C80 H80 Br16 N48 O8 Zn8 -","8","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1206","0.0717","","","0.1684","0.1937","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210571","8.905","0.003","11.572","0.004","14.981","0.004","90","","120.87","0.014","90","","1325.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N14 O2 S2 -","- C22 H20 Cd N14 O2 S2 -","- C44 H40 Cd2 N28 O4 S4 -","2","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0747","0.0493","","","0.1081","0.1212","","","","","","1.063","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210572","14.287","0.011","22.046","0.016","8.268","0.006","90","","98.563","0.01","90","","2575","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B2 Cd F8 N12 -","- C20 H16 B2 Cd F8 N12 -","- C80 H64 B8 Cd4 F32 N48 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1698","0.091","","","0.2301","0.2697","","","","","","1.061","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210573","14.327","0.003","22.105","0.005","8.3039","0.0019","90","","98.79","0.003","90","","2598.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cd Cl2 N12 O8 -","- C20 H16 Cd Cl2 N12 O8 -","- C80 H64 Cd4 Cl8 N48 O32 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1165","0.0573","","","0.1195","0.1446","","","","","","1.011","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210574","20.5262","0.0016","20.5262","0.0016","20.152","0.003","90","","90","","120","","7353","1.4","173","2","173","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C60 H48 Cd3 N36 -","- C60 H48 Cd3 N36 -","- C180 H144 Cd9 N108 -","3","0.0833333","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.049","0.0428","","","0.1254","0.1285","","","","","","1.082","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210575","7.2608","0.0015","11.973","0.002","9.6567","0.0019","90","","98.88","0.03","90","","829.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","An investigation into the substituent effect of halogen atoms on the crystal structures of indole-3-carboxylic acid (ICA)","CrystEngComm","2013","15","37","7490","","10.1039/c3ce40952j","","","0.71073","MoKα","","0.1783","0.1691","","","0.3918","0.3962","","","","","","1.187","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210576","12.025","0.005","19.464","0.008","15.323","0.005","90","","126.97","0.02","90","","2865","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Mo8 N16 O26 -","- C32 H52 Mo8 N16 O26 -","- C64 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.025","0.0223","","","0.0557","0.0568","","","","","","1.06","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210577","17.379","0.003","10.932","0.002","24.384","0.004","90","","134.332","0.008","90","","3313.7","1.1","","","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Mo8 N20 O26 -","- C40 H64 Mo8 N20 O26 -","- C80 H128 Mo16 N40 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.1302","0.1255","","","","0.3351","","","","","","1.183","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210578","11.3366","0.0013","11.3529","0.0013","11.3639","0.0014","72.391","0.002","71.058","0.002","80.06","0.002","1314","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","1","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0276","0.0234","","","0.0576","0.0604","","","","","","1.027","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210579","12.1992","0.0004","23.5887","0.0006","11.8092","0.0004","90","","109.758","0.003","90","","3198.19","0.18","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Mo8 N16 O26 -","- C40 H52 Mo8 N16 O26 -","- C80 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.053","0.0402","","","0.1025","0.1104","","","","","","1.015","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210580","10.1921","0.0004","21.5036","0.0009","15.3277","0.0005","90","","120.334","0.002","90","","2899.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Mo8 N12 O26 -","- C36 H60 Mo8 N12 O26 -","- C72 H120 Mo16 N24 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.027","0.0219","","","0.0728","0.1049","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210581","12.5903","0.0018","11.8542","0.0016","24.806","0.003","90","","100.449","0.002","90","","3640.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Mo8 N16 O28 -","- C48 H60 Mo8 N16 O28 -","- C96 H120 Mo16 N32 O56 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.15","0.085","","","0.2152","0.268","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210582","15.878","0.003","10.1503","0.0019","16.704","0.003","90","","115.779","0.003","90","","2424.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H96 Mo9 N32 O32 S3 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","1","0.25","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.115","0.0734","","","0.1772","0.2803","","","","","","1.231","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"7210583","11.6102","0.0009","11.6102","0.0009","19.4306","0.0014","90","","90","","120","","2268.3","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Mo N6 O3 -","- C12 H18 Mo N6 O3 -","- C72 H108 Mo6 N36 O18 -","6","0.333333","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0442","0.038","","","0.0663","0.0706","","","","","","1.119","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210584","9.6874","0.0007","18.8238","0.0014","10.3652","0.0006","90","","102.994","0.007","90","","1841.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 Mo3 N12 O9 -","- C30 H36 Mo3 N12 O9 -","- C60 H72 Mo6 N24 O18 -","2","1","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0973","0.0599","","","0.078","0.0867","","","","","","1","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210585","11.3955","0.0004","12.1907","0.0005","12.5537","0.0005","65.085","0.004","74.281","0.003","75.437","0.003","1503.55","0.11","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H67 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0733","0.0702","","","0.186","0.1881","","","","","","1.03","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210586","11.4202","0.0005","12.2341","0.0006","12.6593","0.0007","64.764","0.005","73.918","0.004","75.541","0.004","1519.57","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H51 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.067","0.0607","","","0.158","0.1634","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210587","46.988","0.003","12.2367","0.0003","23.1895","0.0006","90","","104.813","0.004","90","","12890.3","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H72 Cu3 Ge N12 O51.5 Tb W11 -","- C14 H51 Cu3 Ge N12 O51.5 Tb W11 -","- C112 H408 Cu24 Ge8 N96 O412 Tb8 W88 -","8","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0986","0.0717","","","0.1811","0.2014","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210588","41.5173","0.0015","12.1282","0.0004","23.1543","0.001","90","","90.93","0.004","90","","11657.4","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H102 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C20 H66 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C80 H264 Cu16 N64 Na8 O392 P8 Sm8 W88 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0928","0.0763","","","0.1945","0.2077","","","","","","1.023","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210589","5.1601","0.0002","7.6565","0.0003","9.1728","0.0003","74.888","0.003","84.185","0.003","71.767","0.002","332.23","0.02","296","","296","","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0355","0.032","","","0.0968","0.1003","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210590","24.077","0.0005","6.552","0.0001","19.6808","0.0005","90","","102.133","0.002","90","","3035.34","0.11","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Cu2 N8 O12 -","- C24 H22 Cl2 Cu2 N8 O12 -","- C96 H88 Cl8 Cu8 N32 O48 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0397","0.0288","","","0.0742","0.0764","","","","","","0.944","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210591","14.789","0.002","14.789","0.002","17.044","0.003","90","","90","","90","","3727.8","1","153","2","153","2","","","","","","","","5","P -4","P -4","81","complex1","","","- C65 H67 N11 O22 Zn4 -","- C65 H67 N11 O22 Zn4 -","- C130 H134 N22 O44 Zn8 -","2","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0848","0.0641","","","0.1685","0.1828","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210592","10.508","0.002","10.684","0.002","12.276","0.003","112.1","0.03","104.75","0.03","90.29","0.03","1227","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","complex2","","","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","1","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0351","0.0263","","","0.063","0.0657","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210593","10.6882","0.0015","10.6882","0.0015","16.036","0.003","90","","90","","90","","1831.9","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H10 Cd F2 N10 O2 -","- C16 H10 Cd F2 N10 O2 -","- C64 H40 Cd4 F8 N40 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0229","0.0228","","","0.0488","0.0489","","","","","","1.132","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210594","18.118","0.003","18.118","0.003","17.507","0.003","90","","90","","120","","4976.9","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H30 Cd3 N36 O18 -","- C48 H30 Cd3 N36 O18 -","- C144 H90 Cd9 N108 O54 -","3","0.166667","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0446","0.0435","","","0.0765","0.0769","","","","","","1.304","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210595","10.877","0.002","10.898","0.002","14.101","0.003","90","","90","","90","","1671.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cd N10 O2 S2 -","- C12 H8 Cd N10 O2 S2 -","- C48 H32 Cd4 N40 O8 S8 -","4","1","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.021","0.0209","","","0.0541","0.0542","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210596","10.5749","0.0015","10.5749","0.0015","16.256","0.003","90","","90","","90","","1817.9","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd N12 O2 -","- C14.04 H10 Cd N12.008 O2 -","- C56.16 H40 Cd4 N48.032 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0581","0.0479","","","0.1112","0.1159","","","","","","1.066","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210597","12.6283","0.0013","14.9622","0.0017","18.9869","0.0016","90","","123.236","0.005","90","","3000.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Mn2 N2 O11 -","- C32 H30 Mn2 N2 O11 -","- C128 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.1039","0.0608","","","0.1682","0.2031","","","","","","1.083","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210598","12.646","0.003","14.834","0.004","18.979","0.003","90","","123.145","0.011","90","","2981","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Mn2 N2 O11 -","- C30 H30 Mn2 N2 O11 -","- C120 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0893","0.0568","","","0.1839","0.2621","","","","","","1.045","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210599","12.463","0.002","7.4574","0.0013","29.451","0.006","90","","96.324","0.003","90","","2720.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Mn2 N2 O10 -","- C28 H24 Mn2 N2 O10 -","- C112 H96 Mn8 N8 O40 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0825","0.0449","","","0.1221","0.1705","","","","","","1.017","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210600","10.122","0.002","11.522","0.003","12.223","0.003","67.343","0.004","88.969","0.005","71.665","0.004","1240","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.1178","0.0838","","","0.1985","0.2129","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210601","10.1946","0.0017","17.174","0.003","22.85","0.004","90","","90.227","0.004","90","","4000.6","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N12 O16 Zn3 -","- C32 H24 N12 O16 Zn3 -","- C128 H96 N48 O64 Zn12 -","4","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0693","0.0564","","","0.1343","0.1411","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210602","10.168","0.003","10.872","0.003","12.335","0.003","96.229","0.004","111.668","0.004","107.805","0.004","1168.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cd N6 O8 -","- C19 H20 Cd N6 O8 -","- C38 H40 Cd2 N12 O16 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.047","0.0406","","","0.0972","0.1017","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210603","9.5581","0.0004","10.3024","0.0005","11.8449","0.0005","83.516","0.004","70.759","0.004","69.978","0.004","1034.67","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O6 Zn -","- C21 H16 N6 O6 Zn -","- C42 H32 N12 O12 Zn2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0362","0.031","","","0.071","0.0733","","","","","","1.052","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210604","9.341","0.0004","12.5779","0.0006","14.0193","0.0005","103.842","0.004","105.081","0.003","99.784","0.004","1496.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0345","0.0295","","","0.0658","0.0687","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210605","11.364","0.005","6.636","0.003","12.345","0.005","90","","106.424","0.004","90","","893","0.7","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F3 N O3 -","- C18 H20 F3 N O3 -","- C36 H40 F6 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji","Crystal structures of Mosher's salt and ester elucidated by X-ray crystallography","CrystEngComm","2013","15","40","8088","","10.1039/c3ce41160e","","","0.7107","MoKα","","","0.0371","","","","0.0896","","","","","","1.105","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210606","50.5752","0.0014","50.5752","0.0014","12.5528","0.0002","90","","90","","120","","27806.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H78 Cl N25 O27 -","- C47 H52.39 Cl N25 O26.9893 -","- C846 H943.02 Cl18 N450 O485.808 -","18","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0836","0.0722","","","0.196","0.2047","","","","","","1.039","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210607","18.1241","0.0003","16.4081","0.0002","21.0869","0.0003","90","","98.917","0.001","90","","6195.08","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 Cl2 Mg0.5 N25 O27 -","- C47 H54 Cl2 Mg0.5 N25 O26.732 -","- C188 H216 Cl8 Mg2 N100 O106.928 -","4","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0743","0.0676","","","0.1934","0.201","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210608","22.1854","0.0002","15.9734","0.0002","22.9981","0.0003","90","","105.02","0.0011","90","","7871.53","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H214 Ca2 Cl4 N50 O83 -","- C94 H108 Ca2 Cl4 N50 O83.038 -","- C188 H216 Ca4 Cl8 N100 O166.076 -","2","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0934","0.0859","","","0.2439","0.2505","","","","","","1.012","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210609","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.351","0.001","71.012","0.001","76.078","0.001","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.042","0.036","","","","0.073","","","","","","0.905","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210610","7.142","0.006","7.388","0.006","14.672","0.013","81.132","0.015","78.539","0.015","62.6","0.012","671.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","HacacPy-TFDIB","","","- C13 H11 F2 I N O2 -","- C13 H11 F2 I N O2 -","- C26 H22 F4 I2 N2 O4 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0811","0.055","","","0.1243","0.135","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210611","7.633","0.0004","16.4167","0.0008","18.6385","0.0009","113.341","0.0006","98.4034","0.0007","95.2702","0.0007","2092.38","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Fe(acacPy)3 - TFDIB","","","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C74 H62 Cl6 F8 Fe2 I4 N6 O12 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0431","0.0336","","","0.0799","0.0856","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210612","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.3512","0.0008","71.0117","0.0008","76.0783","0.0008","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0978","0.0542","","","0.1022","0.1175","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210613","5.8451","0.0003","7.7034","0.0004","34.6478","0.0016","90","","91.116","0.002","90","","1559.8","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N3 O2 S -","- C17 H16 N3 O2 S -","- C68 H64 N12 O8 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.0689","0.0498","","","0.1236","0.1315","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210614","8.27","0.0006","37.058","0.003","5.9595","0.0004","90","","99.089","0.004","90","","1803.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 S -","- C18 H23 N3 O3 S -","- C72 H92 N12 O12 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.1363","0.0581","","","0.1003","0.1167","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210615","7.0582","0.0013","17.577","0.003","8.5676","0.0016","90","","101.257","0.002","90","","1042.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0714","0.0537","","","0.1209","0.1299","","","","","","1.198","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210616","14.032","0.008","19.114","0.01","4.625","0.003","90","","90","","90","","1240.5","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0986","0.0469","","","0.1037","0.1272","","","","","","1.011","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210617","13.554","0.002","21.511","0.003","4.517","0.0007","90","","90","","90","","1317","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0561","0.0381","","","0.1036","0.118","","","","","","0.829","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210618","32.702","0.003","32.702","0.003","32.702","0.003","90","","90","","90","","34972","6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C60 H48 N30 O18 Zn3 -","- C60 H48 N30 O18 Zn3 -","- C960 H768 N480 O288 Zn48 -","16","0.0833333","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0867","0.0862","","","0.2419","0.2426","","","","","","1.068","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210619","21.703","0.003","20.062","0.003","22.121","0.003","90","","108.799","0.002","90","","9118","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cl4 N18 O16 Zn2 -","- C45 H36 Cl4 N18 O16 Zn2 -","- C180 H144 Cl16 N72 O64 Zn8 -","4","1","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0549","0.0488","","","0.1425","0.1481","","","","","","0.976","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210623","13.1218","0.001","20.9009","0.0017","20.6305","0.0016","90","","90","","90","","5658.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Cd N6 O5 -","- C32 H22 Cd N6 O5 -","- C256 H176 Cd8 N48 O40 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0605","0.0398","","","0.0832","0.0909","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210624","8.6115","0.0007","13.5673","0.0011","13.2854","0.0011","90","","106.616","0.001","90","","1487.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cd N3 O4 -","- C17 H10 Cd N3 O4 -","- C68 H40 Cd4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0268","0.0241","","","0.06","0.0613","","","","","","1.055","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210625","19.926","0.007","22.305","0.008","11.721","0.004","90","","116.127","0.004","90","","4677","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H10 N3 O4.5 Zn -","- C17 H10 N3 O4.505 Zn -","- C136 H80 N24 O36.04 Zn8 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0649","0.0566","","","0.1856","0.1943","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210626","7.8497","0.0007","14.0717","0.0013","13.8997","0.0011","90","","109.381","0.004","90","","1448.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N3 O4 -","- C17 H10 Cu N3 O4 -","- C68 H40 Cu4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0521","0.0421","","","0.1019","0.1078","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210627","7.409","0.005","9.176","0.005","15.771","0.005","96.032","0.005","94.122","0.005","109.011","0.005","1001.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn N2 O5 -","- C19.95 H19.85 Mn N2 O4.99 -","- C39.9 H39.7 Mn2 N4 O9.98 -","2","1","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0715","0.0646","","","0.2098","0.2193","","","","","","1.075","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210628","15.997","0.005","15.389","0.005","28.622","0.005","90","0.005","95.335","0.005","90","0.005","7016","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 Mn5 N2 O22 -","- C74 H58 Mn5 N2 O22 -","- C296 H232 Mn20 N8 O88 -","4","0.5","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0681","0.0494","","","0.1458","0.155","","","","","","1.131","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210629","10.614","0.002","12.316","0.003","20.809","0.004","90","","104.34","0.03","90","","2635.4","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 La O15 P4 -","- C20 H23 La O15 P4 -","- C80 H92 La4 O60 P16 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0277","0.0193","","","0.0483","0.0543","","","","","","1.009","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210630","22.492","0.003","8.066","0.001","15.534","0.002","90","","91.5","0.01","90","","2817.2","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 O8 P2 -","- C11 H16 O8 P2 -","- C88 H128 O64 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0434","0.0275","","","0.0648","0.0759","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210631","16.2835","0.0005","7.8798","0.0002","19.1588","0.0005","90","","90","","90","","2458.28","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 O6 P2 -","- C11 H12 O6 P2 -","- C88 H96 O48 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0973","0.0447","","","0.1058","0.1271","","","","","","1.002","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210632","9.2113","0.0002","26.5836","0.0005","6.8556","0.0001","90","","96.74","0.002","90","","1667.13","0.05","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H39 La O21 P4 -","- C22 H38 La O21 P4 -","- C44 H76 La2 O42 P8 -","2","0.5","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0413","0.0417","","","","","","1.028","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210633","23.267","0.004","4.886","0.001","12.329","0.002","90","","93.18","0.01","90","","1399.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O8 P2 -","- C10 H14 O8 P2 -","- C40 H56 O32 P8 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.1113","0.0441","","","0.0783","0.0947","","","","","","1.016","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210634","6.0078","0.0004","16.9401","0.0012","13.0061","0.0008","90","","116.158","0.003","90","","1188.1","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O5 S Sr -","- C9 H9 N O5 S Sr -","- C36 H36 N4 O20 S4 Sr4 -","4","1","","Chen, Qian; Guo, Ping-Chun; Zhao, Shun-Ping; Liu, Jian-Lan; Ren, Xiao-Ming","A rhombus channel metal‒organic framework comprised of Sr2+ and thiophene-2, 5-dicarboxylic acid exhibiting novel dielectric bistability","CrystEngComm","2013","15","6","1264","","10.1039/c2ce26450a","","","0.71073","MoKα","","0.0331","0.0239","","","0.0569","0.0592","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210635","9.6317","0.0006","10.0666","0.0006","13.223","0.0008","100.815","0.001","108.214","0.001","102.074","0.001","1145.87","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N3 O4 Zn -","- C27 H20 N3 O4 Zn -","- C54 H40 N6 O8 Zn2 -","2","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0475","0.039","","","0.0894","0.0928","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210636","28.3656","0.0016","11.4712","0.0006","18.2929","0.001","90","","102.876","0.001","90","","5802.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Co N4 O5 -","- C33 H28 Co N4 O5 -","- C264 H224 Co8 N32 O40 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0554","0.0428","","","0.118","0.1245","","","","","","1.005","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210637","28.676","0.004","11.7344","0.0015","17.82","0.003","90","","101.202","0.002","90","","5882.1","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Cd N3 O4 -","- C30 H21 Cd N3 O4 -","- C240 H168 Cd8 N24 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0653","0.0448","","","0.1301","0.1413","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210638","11.972","0.003","12.043","0.004","27.792","0.008","90","","99.959","0.004","90","","3947","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O4 Zn -","- C38 H27 N5 O4 Zn -","- C152 H108 N20 O16 Zn4 -","4","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0915","0.0756","","","0.2144","0.232","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210639","25.0837","0.0011","8.7814","0.0004","22.6654","0.001","90","","91.853","0.001","90","","4989.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Co N2 O4 -","- C28 H19 Co N2 O4 -","- C224 H152 Co8 N16 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0559","0.0492","","","0.1376","0.1436","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210640","4.84119","0.00015","31.5272","0.001","7.9505","0.0003","90","","93.844","0.003","90","","1210.75","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N -","- C14 H14 Cl N -","- C56 H56 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKa","","","0.0929","","","","0.2658","","","","","","1.04","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210641","18.1754","0.0004","6.91256","0.00013","25.7534","0.0005","90","","110.555","0.0009","90","","3029.63","0.11","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Cl3 N2 O4 -","- C28 H28 Cl3 N2 O4 -","- C112 H112 Cl12 N8 O16 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0741","","","","0.2346","","","","","","1.064","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210642","4.8772","0.0002","16.2559","0.0007","18.5704","0.0008","80.839","0.003","87.297","0.002","84.649","0.003","1446.43","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16.5 Cl1.5 N O -","- C14 H14 Cl1.5 N O -","- C56 H56 Cl6 N4 O4 -","4","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0884","","","","0.1799","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210643","4.70335","0.00013","32.1116","0.0009","8.1926","0.0003","90","","98.0162","0.0019","90","","1225.26","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Br Cl N -","- C13 H11 Br Cl N -","- C52 H44 Br4 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0658","","","","0.1743","","","","","","1.108","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210644","4.79","0.0001","8.28058","0.00017","16.2189","0.0004","105.827","0.0014","91.591","0.0013","98.634","0.0014","610.31","0.02","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0449","","","","0.1981","","","","","","1.206","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210645","5.0232","0.0003","7.3643","0.0003","17.3038","0.0008","92.657","0.003","91.992","0.003","92.424","0.004","638.42","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl F3 N -","- C14 H11 Cl F3 N -","- C28 H22 Cl2 F6 N2 -","2","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0631","","","","0.1487","","","","","","0.992","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210646","12.996","0.005","22.878","0.005","13.696","0.005","90","0.005","93.972","0.005","90","0.005","4062","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cu N5 O4 -","- C17 H31 Cu N5 O4 -","- C136 H248 Cu8 N40 O32 -","8","2","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71069","MoKα","","0.1157","0.0556","","","0.1376","0.1729","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210647","11.135","","13.601","","14.886","","90","","96.37","","90","","2240.52","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cu2 N10 O10 -","- C38 H50 Cu2 N10 O10 -","- C76 H100 Cu4 N20 O20 -","2","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0905","0.0468","","","0.1006","0.1153","","","","","","0.981","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210648","13.536","","9.938","","16.885","","90","","90","","90","","2271.38","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cd N5 O4 -","- C19 H23 Cd N5 O4 -","- C76 H92 Cd4 N20 O16 -","4","1","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.1166","0.05","","","0.1023","0.1341","","","","","","0.822","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210649","23.396","0.005","6.654","0.005","23.775","0.005","90","","112.26","0.03","90","","3425","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H46 Ag2 Cu N8 O16 -","- C20 H46 Ag2 Cu N8 O16 -","- C80 H184 Ag8 Cu4 N32 O64 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0983","0.0633","","","0.1701","0.2182","","","","","","1.106","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210650","16.435","","7.076","","20.06","","90","","107.66","","90","","2222.92","","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 Cd Cu N2 O14 -","- C14 H18 Cd Cu N2 O14 -","- C56 H72 Cd4 Cu4 N8 O56 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0929","0.0771","","","0.2406","0.2592","","","","","","1.07","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210651","6.7098","0.0013","21.342","0.004","13.358","0.004","90","","106.86","0.03","90","","1830.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co3 N20 O4 -","- C28 H28 Co3 N20 O4 -","- C56 H56 Co6 N40 O8 -","2","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0368","0.0307","","","0.0755","0.0785","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210652","10.1598","0.0002","10.1598","0.0002","14.4082","0.0005","90","","90","","90","","1487.24","0.07","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C14 H12 N10 Zn -","- C14 H12 N10 Zn -","- C56 H48 N40 Zn4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0316","0.0241","","","0.0613","0.0653","","","","","","1.047","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210653","9.6538","0.0011","6.8521","0.0007","12.5458","0.001","90","","106.164","0.006","90","","797.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag N5 -","- C7 H6 Ag N5 -","- C28 H24 Ag4 N20 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.052","0.0386","","","0.1012","0.1075","","","","","","1.1","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210654","12.0719","0.0006","7.3729","0.0004","10.1929","0.0005","90","","106.434","0.001","90","","870.15","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Co N4 O3 -","- C8 H6 Co N4 O3 -","- C32 H24 Co4 N16 O12 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0276","0.024","","","0.0606","0.0624","","","","","","1.054","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210655","17.362","0.015","7.135","0.006","7.475","0.006","90","","90","","90","","926","1.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H4 N4 O2 Pb -","- C8 H4 N4 O2 Pb -","- C32 H16 N16 O8 Pb4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0307","0.03","","","0.0762","0.0766","","","","","","1.112","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210656","17.4047","0.0013","26.943","0.002","17.9892","0.0015","90","","106.941","0.004","90","","8069.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(bis(μ~9~-(5,5',5'',5'''-((Adamantane-1,3,5,7-tetrayl)- tetra-(phen-4-yl))-tetrakistetrazolato))- bis-(μ~2~-chloro)-tetraaqua-tetrakisdimethylformamido- penta-manganese(ii) dimethylformamide and water solvate )","","- C109 H147 Cl2 Mn5 N43 O18 -","- C117.922 H70 Cl2 Mn5 N43.458 O17.5 -","- C235.844 H140 Cl4 Mn10 N86.916 O35 -","2","0.5","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1289","0.0994","","","0.2659","0.2919","","","","","","1.081","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7210657","22.6358","0.0007","19.0353","0.0005","27.9879","0.0011","90","","110.636","0.002","90","","11285.7","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[{μ~5~- pentahydrogen((adamant-1,3,5,7-tetrayl)-phen-4-yl)- tetraphosphonate-O,O',O'',O''',O'''')- -triaqua-lantanum(iii)} water and methanol solvate]","","- C34 H39 La O15 P4 -","- C36.35 H27.808 La O17.8 P4 -","- C290.8 H222.464 La8 O142.4 P32 -","8","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1627","0.0994","","","0.2592","0.3014","","","","","","1.051","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210658","18.5326","0.0014","13.145","0.0014","14.9863","0.0016","90","","122.453","0.003","90","","3080.7","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co-mellitate-MeOH","","","- C14 H48 Co3 O34 -","- C14 H34 Co3 O30 -","- C56 H136 Co12 O120 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0294","0.0243","","","0.0628","0.0658","","","","","","1.04","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210659","24.165","0.004","9.0577","0.0012","16.073","0.002","90","","100.167","0.004","90","","3462.8","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cobalt-mellitate","","","- C12 H12 Co3 O18 -","- C12 H12 Co3 O18 -","- C96 H96 Co24 O144 -","8","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0262","0.021","","","0.0544","0.0572","","","","","","1.05","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210660","20.8707","0.0017","6.4205","0.0005","16.0526","0.0013","90","","122.827","0.001","90","","1807.6","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Co4(mel)(OH)2(H2O)]6(H2O)","","","- C12 H14 Co4 O20 -","- C12 H14 Co4 O20 -","- C48 H56 Co16 O80 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0295","0.0212","","","0.0445","0.0473","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210661","15.7969","0.0008","20.9803","0.0011","20.0682","0.001","90","","96.453","0.002","90","","6608.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mn-bpy-mellitate","","","- C64 H52.17 Mn4 N8 O32.08 -","- C64 H52 Mn4 N8 O32.088 -","- C256 H208 Mn16 N32 O128.352 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0392","0.0314","","","0.0718","0.0756","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210662","9.0764","0.0003","21.9597","0.0008","16.5364","0.0006","90","","94.617","0.002","90","","3285.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Mn2(H2mel)(phen)2(H2O)2)","","","- C72 H44 Mn4 N8 O28 -","- C72 H44 Mn4 N8 O28 -","- C144 H88 Mn8 N16 O56 -","2","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0522","0.0458","","","0.1121","0.1154","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210672","8.0832","0.001","8.7332","0.0008","9.2121","0.0008","80.892","0.008","71.071","0.01","74.681","0.009","591.4","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.093","0.0568","","","0.121","0.1524","","","","","","0.916","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210673","8.19","0.003","8.861","0.003","9.396","0.002","80.68","0.03","71.62","0.03","76.25","0.03","625.7","0.4","325","1","325","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.1049","0.0655","","","0.1207","0.1787","","","","","","0.931","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210674","17.1875","0.0002","17.1875","0.0002","12.1717","0.0002","90","","90","","90","","3595.64","0.08","2","2","2","2","","","","","","","AF18","4","I -4","I -4","82","","","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0366","","","0.0888","0.0907","","","","","","1.077","","","","has coordinates,has disorder","288544","2023-12-24","01:38:19",""
"7210675","17.235","0.004","17.235","0.004","12.038","0.003","90","","90","","90","","3575.8","1.5","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H64 Mn12 O52 -","- C32 H64 Mn12 O52 -","- C64 H128 Mn24 O104 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0458","0.0434","","0.0372","0.0329","0.0332","","","","","","1.1297","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210676","16.0506","0.0012","16.0506","0.0012","11.9067","0.0012","90","","90","","90","","3067.4","0.4","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H56 Mn12 O48 -","- C32 H56 Mn12 O48 -","- C64 H112 Mn24 O96 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0234","0.0223","","0.0459","0.045","0.0457","","","","","","0.9668","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210677","21.1177","0.0016","14.9308","0.0011","8.8929","0.0007","90","","90","","90","","2804","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H16 Mn N14 S2 -","- C26 H16 Mn N14 S2 -","- C104 H64 Mn4 N56 S8 -","4","","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0595","0.0379","","","0.092","0.1029","","","","","","1.037","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210678","15.637","0.005","5.627","0.005","16.468","0.005","90","0.005","116.561","0.005","90","0.005","1296.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Mn N6 O6 -","- C28 H26 Mn N6 O6 -","- C56 H52 Mn2 N12 O12 -","2","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0429","0.0329","","","0.0824","0.0875","","","","","","1.048","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210679","11.336","0.005","12.249","0.005","13.784","0.005","85.864","0.005","67.811","0.005","74.415","0.005","1706.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","1","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.1196","0.0581","","","0.136","0.1639","","","","","","0.903","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210680","11.0483","0.0006","20.7209","0.0011","22.0818","0.0014","115.715","0.006","99.403","0.005","90.774","0.004","4473.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co4 N4 O22 -","- C52 H40 Co4 N4 O22 -","- C104 H80 Co8 N8 O44 -","2","1","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1145","0.0645","","","0.1639","0.1842","","","","","","0.881","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210681","16.783","0.0013","14.1889","0.001","18.6834","0.0014","90","","97.743","0.001","90","","4408.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 Ni2 O11 -","- C26 H20 N2 Ni2 O11 -","- C104 H80 N8 Ni8 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.0691","0.043","","","0.1034","0.111","","","","","","0.816","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210682","16.846","0.012","14.179","0.01","18.754","0.014","90","","97.701","0.01","90","","4439","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C104 H80 Co3.76 N8 Ni4.24 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1235","0.0761","","","0.2046","0.2232","","","","","","0.988","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210683","24.401","0.004","24.401","0.004","11.5733","0.0018","90","","90","","120","","5967.6","1.7","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C12 H31 Cu3 N7 O8 -","- C12 H24 Cu3 N7 O8 -","- C108 H216 Cu27 N63 O72 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0615","0.0555","","","0.1499","0.1568","","","","","","1.132","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210684","24.9131","0.0014","24.9131","0.0014","10.8608","0.0012","90","","90","","120","","5837.8","0.8","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C9 H24 Cu3 N6 O9 -","- C9 H24 Cu3 N6 O9 -","- C81 H216 Cu27 N54 O81 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0711","0.0658","","","0.1866","0.1902","","","","","","1.154","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210685","51.5597","0.0007","58.692","0.0008","3.381","","90","","90","","90","","10231.4","0.2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- B8 Cd7 Na2 O20 -","- B8 Cd7 Na2 O20 -","- B192 Cd168 Na48 O480 -","24","1.5","","Zhou, Lin; Pan, Shilie; Dong, Xiaoyu; Yu, Hongwei; Wu, Hongping; Zhang, Fangfang; Zhou, Zhongxiang","Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units","CrystEngComm","2013","15","17","3412","","10.1039/c3ce26587k","","","0.71073","MoKα","","0.0507","0.0412","","","0.1016","0.1074","","","","","","1.063","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210686","32.44","0.005","38.7","0.005","14.781","0.005","90","0.005","90","0.005","90","0.005","18556","7","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C52 H36 Cd N10 S2 -","- C52 H36 Cd N10 S2 -","- C832 H576 Cd16 N160 S32 -","16","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0457","0.0398","","","0.1191","0.1262","","","","","","1.017","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210687","13.46","0.005","25.921","0.005","7.34","0.005","90","0.005","95.017","0.005","90","0.005","2551","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Hg N6 S2 -","- C27 H18 Hg N6 S2 -","- C108 H72 Hg4 N24 S8 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0334","0.0264","","","0.065","0.0681","","","","","","1.032","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210688","17.794","0.005","18.67","0.005","14.665","0.005","90","0.005","96.751","0.005","90","0.005","4838","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br2 Hg N4 -","- C25 H18 Br2 Hg N4 -","- C200 H144 Br16 Hg8 N32 -","8","2","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.1023","0.0424","","","0.0793","0.1065","","","","","","0.991","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210689","13.334","0.005","26.776","0.005","7.767","0.005","90","0.005","100.081","0.005","90","0.005","2730","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Hg I2 N4 -","- C25 H18 Hg I2 N4 -","- C100 H72 Hg4 I8 N16 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0494","0.0452","","","0.1415","0.1454","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210690","12.194","0.005","12.533","0.005","15.864","0.005","86.325","0.005","71.489","0.005","87.781","0.005","2293.9","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Co N10 O S2 -","- C53 H40 Co N10 O S2 -","- C106 H80 Co2 N20 O2 S4 -","2","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0487","0.0392","","","0.1297","0.1442","","","","","","1.087","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210691","8.2456","0.0018","8.2456","0.0018","33.852","0.011","90","","90","","90","","2301.6","1","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H14 Cd N2 O8 S2 -","- C22 H14 Cd N2 O8 S2 -","- C88 H56 Cd4 N8 O32 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0176","0.0176","","","0.0471","0.0471","","","","","","1.077","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210692","19.1466","0.0019","16.2759","0.0016","13.1959","0.0013","90","","95.905","0.001","90","","4090.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O7 S -","- C18 H18 Cd N2 O7 S -","- C144 H144 Cd8 N16 O56 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0411","0.0271","","","0.0546","0.0593","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210693","13.6833","0.0019","10.995","0.0016","16.252","0.002","90","","92.354","0.002","90","","2443","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 Cd2 N6 O8 S2 -","- C51 H46 Cd2 N6 O8 S2 -","- C102 H92 Cd4 N12 O16 S4 -","2","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.1367","0.0588","","","0.1292","0.1949","","","","","","1.027","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210694","9.2965","0.0012","8.9901","0.0012","16.812","0.002","90","","96.943","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 O10 -","- C34 H26 N2 O10 -","- C68 H52 N4 O20 -","2","1","","Jana, Poulami; Maity, Suman Kumar; Bera, Santu; Ghorai, Pradip Kumar; Haldar, Debasish","Hierarchical self-assembly of naphthalene bisimides to fluorescent microspheres and fluoride sensing","CrystEngComm","2013","15","13","2512","","10.1039/c3ce26700h","","","1.54178","CuKα","","0.0359","0.0319","","","0.0782","0.0807","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210695","22.128","0.013","28.524","0.016","29.033","0.018","90","","90","","90","","18325","19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Y -","- C24 H12 N3 O7 Y -","- C768 H384 N96 O224 Y32 -","32","1","","Zhang, Huabin; Lin, Ping; Zou, Guodong; Shan, Xiaochen; Du, Fenglei; Du, Shaowu","An unusual highly connected 3D net with hydrophilic pore surface","CrystEngComm","2013","15","15","3016","","10.1039/c3ce26788a","","","0.71073","MoKα","","0.1045","0.087","","","0.2005","0.2113","","","","","","1.033","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210696","10.4354","0.0011","11.5091","0.0012","12.1928","0.0012","80.05","0.001","70.954","0.001","73.524","0.001","1322.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O17 Zn3 -","- C24 H22 O17 Zn3 -","- C48 H44 O34 Zn6 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0521","0.0451","","","0.1052","0.1122","","","","","","1.013","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210697","9.3898","0.0007","19.8601","0.0014","17.9499","0.0011","90","","110.534","0.003","90","","3134.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 O16 Zn2 -","- C56 H54 N8 O16 Zn2 -","- C112 H108 N16 O32 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0933","0.0733","","","0.2195","0.2376","","","","","","1.072","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210698","7.7","0.004","7.867","0.004","19.442","0.009","85.133","0.006","88.43","0.006","88.495","0.006","1172.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O13 Zn -","- C24 H20 O13 Zn -","- C48 H40 O26 Zn2 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1289","0.0907","","","0.2414","0.289","","","","","","0.984","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210699","20.334","0.002","15.2784","0.0016","8.0062","0.0009","90","","105.844","0.001","90","","2392.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 O14 Zn2 -","- C24 H14 O14 Zn2 -","- C96 H56 O56 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0658","0.0404","","","0.1087","0.1287","","","","","","0.899","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210700","8.7504","0.001","10.7138","0.0012","21.673","0.002","93.144","0.002","100.882","0.002","112.205","0.002","1829.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.09","0.0594","","","0.1578","0.1807","","","","","","0.873","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210701","8.815","0.004","15.386","0.007","16.055","0.008","104.527","0.006","92.798","0.006","101.187","0.006","2056.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.104","0.0609","","","0.129","0.153","","","","","","1","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210702","8.792","0.009","15.468","0.016","15.983","0.017","104.543","0.016","93.056","0.014","101.711","0.014","2048","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0961","0.0582","","","0.1419","0.1694","","","","","","0.875","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210703","7.9598","0.0006","15.1435","0.0012","17.0375","0.0014","90","","99.431","0.001","90","","2025.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N4 O14 Zn2 -","- C44 H30 N4 O14 Zn2 -","- C88 H60 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0603","0.0426","","","0.1271","0.1458","","","","","","0.976","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210704","8.695","0.005","16.594","0.009","17.034","0.009","90","","100.459","0.007","90","","2417","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 N4 O14 Zn2 -","- C48 H38 N4 O14 Zn2 -","- C96 H76 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1589","0.0737","","","0.196","0.2383","","","","","","1.092","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210705","8.158","0.002","17.418","0.004","17.558","0.004","90","","98.28","0.003","90","","2468.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N8 O14 Zn2 -","- C44 H30 N8 O14 Zn2 -","- C88 H60 N16 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1269","0.0843","","","0.2361","0.2671","","","","","","1.085","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210706","8.642","0.013","10.856","0.016","21.62","0.03","93.143","0.016","100.055","0.019","111.373","0.019","1844","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.2484","0.154","","","0.3972","0.4435","","","","","","1.289","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210707","12.166","0.002","12.6128","0.0011","13.073","0.003","90","","116.86","0.008","90","","1789.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H13 In3 Na O19 P5 -","- H13 In3 Na O19 P5 -","- H52 In12 Na4 O76 P20 -","4","1","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0447","0.0378","","","0.0682","0.0714","","","","","","0.992","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210708","5.477","0.0003","5.477","0.0003","13.0083","0.0012","90","","90","","120","","337.94","0.04","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- H2 In O6 P2 Rb -","- In O6 P2 Rb -","- In2 O12 P4 Rb2 -","2","0.166667","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0304","0.0304","","","0.0736","0.0736","","","","","","1.023","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210709","5.494","0.003","5.494","0.003","19.823","0.014","90","","90","","120","","518.2","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cs H2 In O6 P2 -","- Cs In O6 P2 -","- Cs3 In3 O18 P6 -","3","0.0833333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0413","0.0413","","","0.0798","0.0798","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210710","15.6227","0.0005","15.6227","0.0005","12.4684","0.0006","90","","90","","120","","2635.44","0.17","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al2 Ba3 H6 O18 P6 -","- Al2 Ba3 H6 O18 P6 -","- Al12 Ba18 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0256","0.0234","","","0.0579","0.0591","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210711","15.7158","0.0015","15.7158","0.0015","12.679","0.004","90","","90","","120","","2712","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 Ga2 H6 O18 P6 -","- Ba3 Ga2 H6 O18 P6 -","- Ba18 Ga12 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0607","0.0442","","","0.073","0.0784","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210712","15.932","0.008","15.932","0.008","13.327","0.014","90","","90","","120","","2930","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 H6 In2 O18 P6 -","- Ba3 H6 In2 O18 P6 -","- Ba18 H36 In12 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0252","0.0222","","","0.0434","0.0445","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210713","10.6675","0.0005","21.4119","0.0009","24.6267","0.0014","90","","90","","90","","5625","0.5","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C164 H216 Ag12 Cl28 N8 O52 S32 -","4","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0808","0.045","","","0.0987","0.1162","","","","","","1.031","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210714","8.8495","0.0014","12.1336","0.0019","12.559","0.002","80.603","0.007","89.677","0.007","81.09","0.007","1314.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","1","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0714","0.0708","","","0.1968","0.1971","","","","","","1.087","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210715","11.9158","0.0003","14.3094","0.0004","18.5432","0.0005","90","","94.685","0.001","90","","3151.2","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 Ni O8 -","- C31 H32 N4 Ni O8 -","- C124 H128 N16 Ni4 O32 -","4","1","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.1526","0.0555","","","0.09","0.1125","","","","","","1.005","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210716","12.4702","0.0002","22.7872","0.0004","11.0779","0.0002","90","","90","","90","","3147.91","0.09","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 N4 Ni O8 -","- C30 H28 N4 Ni O8 -","- C120 H112 N16 Ni4 O32 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0736","0.042","","","0.1109","0.1285","","","","","","1.072","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210717","24.5212","0.0018","11.1701","0.0008","12.2369","0.0008","90","","90","","90","","3351.7","0.4","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C30 H30 N4 Ni O10 S -","- C30 H26 N4 Ni O10 S -","- C120 H104 N16 Ni4 O40 S4 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0683","0.0622","","","0.1706","0.176","","","","","","1.091","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210718","21.5324","0.0003","12.8686","0.0002","20.5775","0.0003","90","","93.497","0.001","90","","5691.24","0.15","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 Ni2 O20 S2 -","- C46 H46 N4 Ni2 O20 S2 -","- C184 H184 N16 Ni8 O80 S8 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.099","0.0567","","","0.1515","0.1736","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210719","9.8199","0.0008","17.4052","0.0012","8.6142","0.0006","90","","105.229","0.008","90","","1420.61","0.19","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 Co2 N4 O20 -","- C16 H40 Co2 N4 O20 -","- C32 H80 Co4 N8 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1161","0.0702","","","0.1066","0.1228","","","","","","1.028","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210720","9.726","0.004","17.322","0.005","8.608","0.003","90","","105.16","0.04","90","","1399.8","0.9","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 N4 Ni2 O20 -","- C16 H40 N4 Ni2 O20 -","- C32 H80 N8 Ni4 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1805","0.0887","","","0.1031","0.1349","","","","","","0.963","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210721","9.793","0.0007","17.4391","0.0011","8.6138","0.0006","90","","105.169","0.007","90","","1419.82","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dizinc hexahydrates","","","- C16 H40 N4 O20 Zn2 -","- C16 H40 N4 O20 Zn2 -","- C32 H80 N8 O40 Zn4 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0961","0.0557","","","0.1196","0.1539","","","","","","0.885","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210722","20.3827","0.0016","6.2408","0.0004","20.2968","0.0017","90","","105.286","0.008","90","","2490.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dicobalt hydrate","","","- C16 H34 Co2 N4 O17 -","- C16 H34 Co2 N4 O17 -","- C64 H136 Co8 N16 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1077","0.0673","","","0.1142","0.1299","","","","","","1.029","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210723","20.2101","0.0014","6.2209","0.0005","20.2424","0.0015","90","","104.9","0.008","90","","2459.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 Ni2 O17 -","- C16 H34 N4 Ni2 O17 -","- C64 H136 N16 Ni8 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0874","0.0583","","","0.1216","0.1393","","","","","","1.069","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210724","20.3516","0.0013","6.2589","0.0004","20.3214","0.0013","90","","105.162","0.007","90","","2498.4","0.3","446","2","446","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 O17 Zn2 -","- C16 H34 N4 O17 Zn2 -","- C64 H136 N16 O68 Zn8 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1115","0.0709","","","0.0968","0.1092","","","","","","1.065","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210725","21.501","0.004","26.51","0.008","30.067","0.006","90","","90","","90","","17138","7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H10 Cd N5 O9 -","- C23 H10 Cd N5 O9 -","- C552 H240 Cd24 N120 O216 -","24","1.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0926","0.0694","","","0.1703","0.1854","","","","","","1.089","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210726","15.1245","0.0009","15.1245","0.0009","12.6105","0.0014","90","","90","","120","","2498.2","0.3","273","2","273","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H4 Br Cd N0 O8 -","- C16 H4 Br Cd O8 -","- C48 H12 Br3 Cd3 O24 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0814","0.0751","","","0.2214","0.2304","","","","","","1.079","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210727","14.6756","0.0007","14.6756","0.0007","12.8469","0.0011","90","","90","","120","","2396.2","0.3","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0782","0.0655","","","0.1752","0.1843","","","","","","1.066","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210728","7.4706","0.0018","10.994","0.002","16.357","0.004","71.743","0.007","86.791","0.007","76.869","0.007","1242.3","0.5","","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cd N2 O10 S -","- C28 H16 Cd N2 O10 S -","- C56 H32 Cd2 N4 O20 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0261","0.0229","","","0.0526","0.0544","","","","","","1.051","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210729","10.905","0.005","13.194","0.007","14.97","0.008","110.429","0.007","95.307","0.006","91.644","0.006","2005.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cd2 N4 O14.5 S -","- C40 H31 Cd2 N4 O14.5 S -","- C80 H62 Cd4 N8 O29 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0699","0.0523","","","0.1345","0.1464","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210730","11.8489","0.0007","16.7123","0.0006","18.8636","0.0011","90","","105.17","0.004","90","","3605.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cd2 N4 O11 S -","- C40 H24 Cd2 N4 O11 S -","- C160 H96 Cd8 N16 O44 S4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0519","0.0394","","","0.0888","0.0973","","","","","","1.077","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210731","9.885","0.003","14.331","0.004","21.418","0.007","85.964","0.005","89.432","0.006","86.079","0.006","3019.5","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Cd2 N8 O18 S -","- C64 H54 Cd2 N8 O18 S -","- C128 H108 Cd4 N16 O36 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0599","0.0474","","","0.1284","0.1438","","","","","","1.04","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210732","13.9963","0.001","28.938","0.002","27.5474","0.0019","90","","92.911","0.001","90","","11143","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H100 Mn4 N20 O137 P4 W36 -","- C120 H100 Mn4 N20 O134 P4 W36 -","- C240 H200 Mn8 N40 O268 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0683","0.0443","","","0.0947","0.1074","","","","","","1.045","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210733","13.9401","0.0009","23.1952","0.0015","14.6689","0.001","90","","108.094","0.001","90","","4508.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H42 Mn2 N12 O63 P2 W18 -","- C46 H40 Mn2 N12 O63 P2 W18 -","- C92 H80 Mn4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0584","0.0335","","","0.0628","0.0701","","","","","","1.018","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210734","13.9922","0.0008","22.7043","0.0012","14.7236","0.0008","90","","108.519","0.001","90","","4435.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H44 Cu2 N12 O63 P2 W18 -","- C46 H44 Cu2 N12 O63 P2 W18 -","- C92 H88 Cu4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0375","0.0266","","","0.0564","0.0599","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210735","29.7818","0.0017","23.1391","0.0013","17.8019","0.001","90","","101.189","0.001","90","","12034.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H128 Mn6 N28 O135 P4 W36 -","- C168 H130 Mn6 N28 O135 P4 W36 -","- C336 H260 Mn12 N56 O270 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0394","0.0278","","","0.0556","0.0589","","","","","","1.04","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210736","17.4716","0.0006","19.9622","0.0007","32.5448","0.0012","90","","97.927","0.001","90","","11242.2","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C296 H232 Cl8 Cu16 N52 O272 P8 W72 -","4","1","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0579","0.0405","","","0.084","0.0903","","","","","","1.062","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210737","14.8896","0.0016","13.1433","0.0015","22.255","0.002","90","","92.16","0.002","90","","4352.2","0.8","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C24 H42 Cu3 N16 O68 P2 W18 -","- C24 H42 Cu3 N16 O68 P2 W18 -","- C48 H84 Cu6 N32 O136 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0817","0.0506","","","0.087","0.093","","","","","","1.052","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210738","7.2811","0.0001","7.4048","0.0001","9.7916","0.0001","92.74","0.001","95.62","0.001","91.154","0.001","524.613","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0263","0.0237","","","0.0608","0.0621","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210739","7.2607","0.0001","7.3081","0.0001","9.6963","0.0001","95.14","0.001","91.75","0.001","90.494","0.001","512.163","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0348","0.0307","","","0.0867","0.0903","","","","","","1.057","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210740","10.1568","0.0001","11.0027","0.0002","18.8432","0.0003","90","","91.4","0.001","90","","2105.14","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0789","0.0431","","","0.0975","0.1114","","","","","","1.02","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210741","4.8485","0.0005","13.4762","0.0012","16.8631","0.0018","90","","95.849","0.009","90","","1096.09","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0835","0.0602","","","0.1477","0.1576","","","","","","0.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210742","4.3086","0.0003","12.7522","0.0006","19.6521","0.0011","90","","92.258","0.005","90","","1078.93","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0623","0.048","","","0.1129","0.118","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210743","5.9493","0.0005","7.6138","0.0008","12.9655","0.0012","79.339","0.008","85.153","0.008","69.377","0.007","540.05","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1108","0.0643","","","0.1346","0.1512","","","","","","0.926","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210744","6.9967","0.0005","7.5829","0.0006","19.4101","0.0012","98.546","0.006","99.133","0.006","96.346","0.006","995.93","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0863","0.0506","","","0.1146","0.1339","","","","","","1.042","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210745","3.851","0.0003","22.8635","0.0018","11.9533","0.0011","90","","92.229","0.007","90","","1051.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1195","0.057","","","0.1014","0.1166","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210746","10.1207","0.0007","11.0228","0.0007","18.8469","0.0015","90","","90.255","0.006","90","","2102.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C88 H64 Cl8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0919","0.0817","","","0.1111","0.1411","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210747","5.8921","0.0001","27.1491","0.0004","6.401","0.0002","90","","109.455","0.002","90","","965.47","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1093","0.071","","","0.1209","0.1317","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210748","11.7158","0.0011","3.8018","0.0004","10.9082","0.001","90","","100.377","0.007","90","","477.92","0.08","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C22 H16 F2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0907","0.0584","","","0.0973","0.1052","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210749","5.8575","0.0001","7.3767","0.0001","13.3668","0.0002","101.59","0.001","96.747","0.001","110.547","0.001","518.551","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0266","0.0235","","","0.059","0.06","","","","","","1.079","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210750","5.8668","0.0005","7.2831","0.0007","13.1604","0.001","101.762","0.007","96.668","0.006","110.602","0.006","504.37","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1012","0.0617","","","0.1321","0.1458","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210751","5.976","0.0004","23.928","0.002","13.3223","0.001","90","","93.047","0.006","90","","1902.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0921","0.0751","","","0.0918","0.1112","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210752","5.9838","0.0008","7.5827","0.0011","11.0466","0.0012","83.44","0.01","85.331","0.01","69.289","0.011","465.31","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0903","0.0382","","","0.0713","0.0804","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210753","16.3306","0.0003","8.9356","0.0003","8.2884","0.0002","90","","90","","90","","1209.47","0.05","298","","298","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C4 H8 Al Cu F5 N8 O -","- C4 H8 Al Cu F5 N8 O -","- C16 H32 Al4 Cu4 F20 N32 O4 -","4","0.5","","Cadiau, Amandine; Auguste, Sandy; Taulelle, Francis; Martineau, Charlotte; Adil, Karim","Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu‒Al fluorinated MOF","CrystEngComm","2013","15","17","3430","","10.1039/c3ce40099a","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7535","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210754","9.4237","0.0004","7.8685","0.0004","19.5593","0.001","90","","90","","90","","1450.33","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.039","","","0.1072","0.1122","","","","","","1.069","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210755","10.5091","0.0002","9.4298","0.0002","15.1828","0.0005","90","","90","","90","","1504.6","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0453","0.0408","","","0.1103","0.1144","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210756","12.1758","0.0005","9.4952","0.0005","12.9071","0.0007","90","","90","","90","","1492.21","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0532","0.0381","","","0.091","0.0988","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210757","9.4117","0.0004","7.7523","0.0003","20.2204","0.0007","90","","90","","90","","1475.33","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0377","","","0.094","0.0968","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210758","4.7762","0.0001","13.3736","0.0003","13.9528","0.0003","90","","92.396","0.001","90","","890.46","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0356","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210759","13.5119","0.0006","9.7785","0.0004","6.7775","0.0003","90","","99.459","0.003","90","","883.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.0394","","","0.0945","0.0992","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210760","9.6701","0.0005","9.2755","0.0004","19.8362","0.0011","90","","90","","90","","1779.21","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0477","0.0424","","","0.1163","0.1205","","","","","","1.068","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210761","9.509","0.005","9.299","0.005","16.435","0.009","90","","90","","90","","1453.3","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0702","0.0452","","","0.1125","0.1502","","","","","","1.109","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210762","7.4896","0.001","9.7758","0.0013","10.3578","0.0013","88.856","0.006","85.667","0.006","75.912","0.007","733.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","2","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0544","0.0501","","","0.1562","0.16","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210763","9.783","0.0006","9.5402","0.0006","15.4045","0.0009","90","","90","","90","","1437.73","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0496","0.041","","","0.1248","0.1474","","","","","","1.127","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210764","10.9014","0.0005","9.9282","0.0004","13.308","0.0006","90","","90","","90","","1440.34","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0433","0.0359","","","0.0924","0.0972","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210765","11.352","0.0003","8.9766","0.0003","8.9705","0.0003","90","","98.02","0.002","90","","905.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0435","0.0359","","","0.0901","0.0943","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210766","12.8863","0.0006","10.0799","0.0005","6.9999","0.0004","90","","103.892","0.003","90","","882.64","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0525","0.0481","","","0.134","0.1377","","","","","","1.135","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210767","5.0567","0.0003","11.6521","0.0005","14.6968","0.0007","90","","91.565","0.003","90","","865.63","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0511","0.0406","","","0.1042","0.1105","","","","","","1.103","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210768","17.1365","0.0014","17.9392","0.0015","18.5138","0.0015","104.378","0.003","102.328","0.003","110.919","0.003","4854.1","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H128 Cl10 La2 N28 O57 Zn2 -","- C42 H42 Cl10 La2 N28 O26 Zn2 -","- C84 H84 Cl20 La4 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0743","0.0512","","","0.1249","0.1342","","","","","","0.945","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210769","26.473","0.004","18.878","0.003","19.864","0.003","90","","104.752","0.004","90","","9600","3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H49 Cl5 N14 O21 Yb Zn -","- C21 H21 Cl5 N14 O12 Yb Zn -","- C168 H168 Cl40 N112 O96 Yb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0712","0.0598","","","0.1815","0.1948","","","","","","1.11","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210770","26.2356","0.0012","18.6413","0.0009","19.8143","0.0009","90","","105.573","0.002","90","","9334.7","0.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H60 Cl5 Lu N14 O26.5 Zn -","- C21 H21 Cl5 Lu N14 O12 Zn -","- C168 H168 Cl40 Lu8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0559","0.0462","","","0.1403","0.149","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210771","16.9138","0.0008","17.2483","0.0008","20.4015","0.0009","98.006","0.002","112.641","0.001","109.75","0.002","4915.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Ce2 Cl10 N28 O51 Zn2 -","- C42 H42 Ce2 Cl10 N28 O26 Zn2 -","- C84 H84 Ce4 Cl20 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.064","0.0567","","","0.1719","0.1796","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210772","16.8979","0.0014","17.2593","0.0015","20.3082","0.0017","98.015","0.003","112.613","0.003","109.997","0.003","4880.8","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H124 Cl10 N28 O55 Pr2 Zn2 -","- C42 H42 Cl10 N28 O26 Pr2 Zn2 -","- C84 H84 Cl20 N56 O52 Pr4 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.1","0.0892","","","0.2524","0.2679","","","","","","1.071","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210773","16.9105","0.001","17.314","0.001","20.3622","0.0018","98.271","0.002","112.638","0.003","109.941","0.002","4905.6","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Cl10 N28 Nd2 O51 Zn2 -","- C42 H42 Cl10 N28 Nd2 O26 Zn2 -","- C84 H84 Cl20 N56 Nd4 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.074","0.0654","","","0.1968","0.2078","","","","","","1.106","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210774","26.2615","0.0014","18.7064","0.0011","20.178","0.0011","90","","105.513","0.002","90","","9551.5","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H55 Cl5 N14 O24 Sm Zn -","- C21 H21 Cl5 N14 O12 Sm Zn -","- C168 H168 Cl40 N112 O96 Sm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0612","0.0527","","","0.1591","0.1647","","","","","","1.09","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210775","26.6201","0.0019","18.9954","0.0014","20.0385","0.0015","90","","104.03","0.002","90","","9830.4","1.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 Gd N14 O25.5 Zn -","- C21 H21 Cl5 Gd N14 O12 Zn -","- C168 H168 Cl40 Gd8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0515","0.0436","","","0.1244","0.1297","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210776","26.375","0.002","18.8405","0.0017","20.0249","0.0018","90","","104.69","0.003","90","","9625.5","1.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tb Zn -","- C21 H21 Cl5 N14 O12 Tb Zn -","- C168 H168 Cl40 N112 O96 Tb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0564","0.0488","","","0.1468","0.1541","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210777","26.4821","0.0016","18.9227","0.0012","19.9297","0.0013","90","","104.577","0.002","90","","9665.5","1.1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H64 Cl5 Er N14 O28.5 Zn -","- C21 H21 Cl5 Er N14 O12 Zn -","- C168 H168 Cl40 Er8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0594","","","0.1746","0.1873","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210778","26.4242","0.0016","18.8983","0.0011","19.8907","0.0011","90","","104.698","0.002","90","","9607.8","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tm Zn -","- C21 H21 Cl5 N14 O12 Tm Zn -","- C168 H168 Cl40 N112 O96 Tm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0606","","","0.1817","0.1911","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210779","17.9776","0.0002","17.9776","0.0002","22.3567","0.0003","90","","90","","90","","7225.55","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H24 Co N4 O14 S2 -","- C32 H24 Co N4 O14 S2 -","- C256 H192 Co8 N32 O112 S16 -","8","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.54184","CuKα","","0.0856","0.0669","","","0.1845","0.204","","","","","","1.051","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210780","25.1252","0.0004","11.7811","0.0002","23.979","0.0004","90","","93.596","0.001","90","","7083.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H65.56 Co1.22 N10 -","- C98 H65.56 Co1.22 N10 -","- C392 H262.24 Co4.88 N40 -","4","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.5418","CuKα","","0.0438","0.0416","","","0.1095","0.1115","","","","","","1.056","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210781","8.706","0.003","21.861","0.008","10.073","0.004","90","","103.923","0.003","90","","1860.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 Zn -","- C18 H15 N3 O6.419 Zn -","- C72 H60 N12 O25.676 Zn4 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.087","0.0677","","","0.1914","0.2035","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210782","13.8359","0.0019","12.997","0.0018","24.9","0.003","90","","118.689","0.006","90","","3928","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N5 O11 Zn2 -","- C31 H23 N5 O11 Zn2 -","- C124 H92 N20 O44 Zn8 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.2545","0.1193","","","0.3106","0.3961","","","","","","1.041","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210783","9.5593","0.0013","10.2131","0.0014","11.9424","0.0016","110.091","0.002","99.943","0.002","95.8","0.002","1062.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","1","0.5","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.1288","0.0664","","","0.1432","0.1712","","","","","","0.868","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210784","14.8149","0.0018","54.114","0.006","9.2584","0.0012","90","","110.055","0.009","90","","6972.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C199 H219 N21 O61 Zn8 -","- C160 H80 N8 O48 Zn8 -","- C160 H80 N8 O48 Zn8 -","1","0.125","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.2304","0.0953","","","0.2167","0.2623","","","","","","0.622","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210785","9.2506","0.0006","14.4032","0.001","27.384","0.002","97.587","0.006","93.139","0.006","106.92","0.005","3443.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H59 Br N7 O18 Zn2 -","- C40 H24 Br N2 O13 Zn2 -","- C80 H48 Br2 N4 O26 Zn4 -","2","1","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.1351","0.0903","","","0.2221","0.2452","","","","","","0.911","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210786","4.6628","0.0017","7.013","0.003","13.081","0.005","90","","90","","90","","427.8","0.3","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br3 Hg2 I -","- Br3 Hg2 I -","- Br6 Hg4 I2 -","2","0.25","","Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui","Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region","CrystEngComm","2013","15","20","4196","","10.1039/c3ce40213d","","","0.71073","MoKα","","0.0407","0.0386","","","0.0983","0.099","","","","","","1.084","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210787","10.07","0.005","10.734","0.005","11.474","0.005","115.129","0.005","109.861","0.005","97.138","0.005","1002.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0468","0.0395","","","0.1063","0.1106","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210788","10.2072","0.0009","10.7719","0.0007","11.5617","0.0008","114.506","0.007","109.613","0.007","97.489","0.006","1034.31","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0887","0.0497","","","0.1178","0.1285","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210789","12.706","0.005","13.774","0.005","14.198","0.005","79.814","0.005","69.227","0.005","79.861","0.005","2269.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0875","0.0504","","","0.1345","0.1524","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210790","12.722","0.003","13.796","0.003","14.181","0.003","79.7","0.03","68.75","0.03","80","0.03","2266.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0973","0.0554","","","0.1272","0.1485","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210791","14.726","0.005","16.062","0.005","10.163","0.005","90","0.005","123.115","0.005","90","0.005","2013.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 Co4 N4 O17 -","- C34 H44 Co4 N4 O17 -","- C68 H88 Co8 N8 O34 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0733","0.0479","","","0.1101","0.1208","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210792","14.719","0.005","16.064","0.005","10.16","0.005","90","0.005","123.156","0.005","90","0.005","2011.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N4 O17 Zn4 -","- C34 H44 N4 O17 Zn4 -","- C68 H88 N8 O34 Zn8 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0407","0.0302","","","0.0708","0.0748","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210793","10.507","0.005","10.58","0.005","10.725","0.005","101.281","0.005","108.121","0.005","90.551","0.005","1108","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0594","0.046","","","0.1403","0.1544","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210794","23.579","0.0011","9.9671","0.0002","20.2015","0.0018","90","","114.428","0.004","90","","4322.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Co2 N2 O8.7 -","- C19 H26 Co2 N2 O8.7 -","- C152 H208 Co16 N16 O69.6 -","8","1","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1458","0.1568","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210795","8.447","0.004","11.013","0.006","14.285","0.006","107.72","0.03","100.94","0.02","97.82","0.03","1215.9","1.1","293","","293","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H24 N3 Ni O8 -","- C21.809 H22.427 N3 Ni O8 -","- C43.618 H44.854 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","powder diffraction","","1.54051","X-ray","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210796","8.23","0.003","10.54","0.004","14.14","0.003","97.46","0.02","99.97","0.03","109.71","0.03","1113.6","0.7","298","2","298","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H17 N3 Ni O8 -","- C20 H17 N3 Ni O8 -","- C40 H34 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","0.71073","MoKα","","0.1112","0.0717","","","0.1756","0.2121","","","","","","1.054","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210797","8.5403","0.0004","10.9818","0.0005","14.1674","0.0007","105.113","0.004","102.302","0.004","97.866","0.004","1226.97","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H27 N3 Ni O8 -","- C24 H27 N3 Ni O8 -","- C48 H54 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0909","0.0748","","","0.1804","0.1958","","","","","","1.034","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210798","8.8297","0.0001","7.4138","0.0001","29.8081","0.0004","90","","96.841","0.001","90","","1937.39","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 Ni O9 -","- C18 H19 N3 Ni O9 -","- C72 H76 N12 Ni4 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0449","0.0433","","","0.0982","0.0991","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210799","12.5726","0.0019","13.341","0.002","13.473","0.004","102.989","0.002","109.678","0.002","108.726","0.002","1869.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H68 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0471","0.0352","","","0.088","0.0949","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210800","8.89","0.005","13.226","0.005","17.248","0.005","101.448","0.005","98.822","0.005","107.349","0.005","1847.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.1187","0.1133","","","0.3239","0.3255","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210801","8.09","0.005","27.992","0.005","17.987","0.005","90","0.005","90","0.005","90","0.005","4073","3","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cd Cl Cu2 N7 O8 -","- C36 H32 Cd Cl Cu2 N7 O8 -","- C144 H128 Cd4 Cl4 Cu8 N28 O32 -","4","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0486","0.0357","","","0.0952","0.1023","","","","","","1.038","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210802","11.377","0.005","11.377","0.005","25.411","0.005","90","0.005","90","0.005","120","0.005","2848.4","1.9","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Cd Cu2 N10 O4 -","- C38 H32 Cd Cu2 N10 O4 -","- C114 H96 Cd3 Cu6 N30 O12 -","3","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0319","0.0291","","","0.0728","0.0743","","","","","","1.027","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210803","10.5123","0.0007","15.0065","0.001","15.3954","0.0016","113.108","0.003","107.716","0.003","98.386","0.002","2028","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Cd Cl16 N24 O29 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","1","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1177","0.1108","","","0.3192","0.3226","","","","","","1.129","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210804","15.1118","0.0008","15.5851","0.0008","17.0616","0.0012","64.897","0.002","80.888","0.002","81.757","0.001","3579.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Y -","- C36 H36 Cd Cl5 N24 O16 Y -","- C72 H72 Cd2 Cl10 N48 O32 Y2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0769","0.0529","","","0.1393","0.1499","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210805","15.14","0.0007","15.7332","0.0007","17.1707","0.0008","64.184","0.001","81.023","0.002","81.956","0.002","3624.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cd Cl5 N24 O41 Sm -","- C36 H36 Cd Cl5 N24 O16 Sm -","- C72 H72 Cd2 Cl10 N48 O32 Sm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0575","0.0499","","","0.1428","0.1489","","","","","","1.064","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210806","15.164","0.0014","15.6132","0.0014","17.1565","0.0015","64.327","0.003","81.022","0.003","82.192","0.003","3605.5","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Eu N24 O42 -","- C36 H36 Cd Cl5 Eu N24 O16 -","- C72 H72 Cd2 Cl10 Eu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0568","0.0472","","","0.1327","0.1399","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210807","15.136","0.003","15.719","0.003","17.189","0.003","64.678","0.006","80.911","0.006","81.763","0.006","3637.1","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H102 Cd Cl5 Gd N24 O45 -","- C36 H36 Cd Cl5 Gd N24 O16 -","- C72 H72 Cd2 Cl10 Gd2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0411","0.0365","","","0.098","0.1009","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210808","15.101","0.006","15.634","0.006","17.21","0.007","64.686","0.013","80.871","0.014","81.896","0.013","3614","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Tb -","- C36 H36 Cd Cl5 N24 O16 Tb -","- C72 H72 Cd2 Cl10 N48 O32 Tb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0874","0.0688","","","0.1703","0.1824","","","","","","0.946","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210809","15.1428","0.0019","15.569","0.002","17.119","0.002","64.842","0.004","80.884","0.005","81.789","0.004","3594.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Dy N24 O42 -","- C36 H36 Cd Cl5 Dy N24 O16 -","- C72 H72 Cd2 Cl10 Dy2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0476","0.0415","","","0.1135","0.118","","","","","","1.047","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210810","15.135","0.003","15.617","0.003","17.079","0.004","64.87","0.008","80.916","0.008","81.719","0.008","3595.5","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Ho N24 O63 -","- C36 H36 Cd Cl5 Ho N24 O16 -","- C72 H72 Cd2 Cl10 Ho2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1497","0.1247","","","0.3566","0.3823","","","","","","1.436","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210811","15.0779","0.0008","15.608","0.0008","17.0335","0.0009","65.006","0.002","81.067","0.002","81.602","0.002","3574.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 Er N24 O40 -","- C36 H36 Cd Cl5 Er N24 O16 -","- C72 H72 Cd2 Cl10 Er2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.047","0.0404","","","0.1086","0.1133","","","","","","1.028","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210812","15.127","0.004","15.586","0.005","17.087","0.005","65.083","0.01","80.892","0.012","81.824","0.012","3594.7","1.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H98 Cd Cl5 N24 O43 Tm -","- C36 H36 Cd Cl5 N24 O16 Tm -","- C72 H72 Cd2 Cl10 N48 O32 Tm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0474","0.0411","","","0.1097","0.115","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210813","15.076","0.003","15.57","0.003","17.006","0.004","64.892","0.007","80.96","0.007","81.779","0.007","3556.8","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H112 Cd Cl5 N24 O50 Yb -","- C36 H36 Cd Cl5 N24 O16 Yb -","- C72 H72 Cd2 Cl10 N48 O32 Yb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1082","0.0896","","","0.2242","0.2432","","","","","","0.99","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210814","15.064","0.01","15.606","0.01","16.975","0.011","64.896","0.018","80.645","0.019","81.17","0.019","3550","4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Lu N24 O63 -","- C36 H36 Cd Cl5 Lu N24 O16 -","- C72 H72 Cd2 Cl10 Lu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1358","0.08","","","0.2253","0.2513","","","","","","1.067","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210815","10.4581","0.0011","26.99","0.003","29.15","0.003","90","","94.84","0.003","90","","8198.7","1.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H116 Cl10 N24 O52 Sm2 Zn2 -","- C36 H36 Cl10 N24 O22 Sm2 Zn2 -","- C144 H144 Cl40 N96 O88 Sm8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.145","0.1112","","","0.3127","0.3369","","","","","","1.153","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210816","10.3737","0.0018","27.124","0.005","29.044","0.005","90","","95.595","0.006","90","","8133","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H98 Cl10 Eu2 N24 O43 Zn2 -","- C36 H36 Cl10 Eu2 N24 O22 Zn2 -","- C144 H144 Cl40 Eu8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0669","0.0524","","","0.1541","0.1615","","","","","","1.07","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210817","10.38","0.002","26.98","0.005","29.004","0.005","90","","95.53","0.006","90","","8085","3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H94 Cl10 Gd2 N24 O41 Zn2 -","- C36 H36 Cl10 Gd2 N24 O22 Zn2 -","- C144 H144 Cl40 Gd8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.09","0.0648","","","0.192","0.2065","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210818","10.3566","0.0009","27.003","0.003","28.938","0.003","90","","95.463","0.003","90","","8056","1.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H124 Cl10 N24 O56 Tb2 Zn2 -","- C36 H36 Cl10 N24 O22 Tb2 Zn2 -","- C144 H144 Cl40 N96 O88 Tb8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1098","0.096","","","0.2589","0.2689","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210819","12.166","0.004","19.686","0.006","14.752","0.005","90","","112.805","0.009","90","","3256.9","1.8","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cl6 Dy2 N24 O30 -","- C36 H36 Cl6 Dy2 N24 O24 -","- C72 H72 Cl12 Dy4 N48 O48 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0295","0.0265","","","0.0713","0.0729","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210820","12.306","0.0007","20.5511","0.0012","13.7026","0.0007","90","","95.421","0.002","90","","3449.9","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Cl8 N24 O29 Zn2 -","- C36 H36 Cl8 N24 O16 Zn2 -","- C72 H72 Cl16 N48 O32 Zn4 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0564","0.0433","","","0.1233","0.1303","","","","","","1.101","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210821","15.31","0.02","15.81","0.02","17.28","0.02","64.156","0.015","81.043","0.017","81.527","0.017","3704","8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Ho N24 O44 Zn -","- C36 H36 Cl5 Ho N24 O17 Zn -","- C72 H72 Cl10 Ho2 N48 O34 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1101","0.0677","","","0.1657","0.1841","","","","","","0.949","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210822","15.142","0.002","15.54","0.002","16.992","0.002","63.894","0.005","80.645","0.005","81.604","0.005","3530.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cl5 Er N24 O40 Zn -","- C36 H36 Cl5 Er N24 O16 Zn -","- C72 H72 Cl10 Er2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0624","0.0536","","","0.142","0.1484","","","","","","1.037","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210823","15.1322","0.0015","15.5741","0.0015","16.9621","0.0016","64.032","0.004","81.003","0.004","81.418","0.004","3535","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Tm Zn -","- C36 H36 Cl5 N24 O17 Tm Zn -","- C72 H72 Cl10 N48 O34 Tm2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0778","0.0602","","","0.1488","0.1583","","","","","","0.956","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210824","15.138","0.002","15.585","0.002","16.967","0.002","64.023","0.005","80.796","0.005","81.44","0.006","3538.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Yb Zn -","- C36 H36 Cl5 N24 O17 Yb Zn -","- C72 H72 Cl10 N48 O34 Yb2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.057","0.0486","","","0.1435","0.1489","","","","","","1.049","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210825","15.1379","0.001","15.6777","0.0011","16.9861","0.0012","63.936","0.002","80.761","0.002","81.111","0.002","3558.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Lu N24 O44 Zn -","- C36 H36 Cl5 Lu N24 O16 Zn -","- C72 H72 Cl10 Lu2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0526","0.0454","","","0.1187","0.1238","","","","","","0.998","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210826","28.7527","0.0001","28.7527","0.0001","35.4316","0.0002","90","","90","","90","","29291.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","UHM-7","","","- C228 H120 Cu12 N8 O61 Si6 -","- C228 H120 Cu12 N8 O61 Si6 -","- C912 H480 Cu48 N32 O244 Si24 -","4","0.25","","Frahm, Daniela; Hoffmann, Frank; Fröba, Michael","Linker extensions in metal‒organic frameworks: a way to isoreticular networks or new topologies?","CrystEngComm","2013","15","45","9429","","10.1039/c3ce40594j","","","1.54178","CuKα","","0.1309","0.1159","","","0.3455","0.3876","","","","","","1.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210827","7.0933","0.0006","16.2066","0.0011","8.8042","0.0007","90","","93.749","0.003","90","","1009.95","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Rotival, Romain; Corvis, Yohann; Cartigny, Yohann; Négrier, Philippe; Marchivie, Mathieu; Massip, Stéphane; Gana, Inès; Lemoine, Pascale; Espeau, Philippe","Comprehensive determination of the solid state stability of bethanechol chloride active pharmaceutical ingredient using combined analytical tools","CrystEngComm","2013","15","39","7970","","10.1039/c3ce40707a","","","1.5418","CuKα","","0.0838","0.0739","","","0.1797","0.1921","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210828","7.9283","0.0001","13.373","0.0002","15.2752","0.0002","90","","102.284","0.001","90","","1582.48","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cd N12 O2 -","- C8 H22 Cd N12 O2 -","- C32 H88 Cd4 N48 O8 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0372","0.0326","","","0.0841","0.087","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210829","6.3061","0.0009","6.9947","0.001","7.908","0.0012","76.149","0.005","74.174","0.005","69.324","0.005","309.99","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","1","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.042","0.0417","","","0.1185","0.1188","","","","","","1.123","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210830","7.7533","0.0003","13.1193","0.0005","15.5043","0.0006","90","","99.829","0.003","90","","1553.92","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N12 O2 Zn -","- C8 H18 N12 O2 Zn -","- C32 H72 N48 O8 Zn4 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.113","0.0732","","","0.193","0.2221","","","","","","1.056","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210831","11.892","0.0003","7.2477","0.0002","14.5382","0.0004","90","","98.479","0.002","90","","1239.35","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H34 Co N20 O6 -","- C12 H34 Co N20 O6 -","- C24 H68 Co2 N40 O12 -","2","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0796","0.0673","","","0.198","0.2087","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210832","7.0262","0.0004","8.45","0.0005","12.2755","0.0009","103.213","0.004","97.971","0.004","105.3","0.003","668.83","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H18 Cu N12 -","- C8 H18 Cu N12 -","- C16 H36 Cu2 N24 -","2","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0379","0.0331","","","0.1033","0.1076","","","","","","1.055","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210833","8.8748","0.0003","25.091","0.0006","23.252","0.0007","90","","97.411","0.002","90","","5134.4","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H48 Mn2 N24 O6 -","- C48 H48 Mn2 N24 O6 -","- C192 H192 Mn8 N96 O24 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0702","0.0479","","","0.1087","0.1203","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210834","15.0657","0.0003","9.2696","0.0002","28.1087","0.0006","90","","91.797","0.001","90","","3923.53","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 O12 -","- C38 H38 O12 -","- C152 H152 O48 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1189","0.082","","","0.2526","0.2763","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210835","32.8482","0.0013","7.0555","0.0002","25.7963","0.0018","90","","128.815","0.001","90","","4658.3","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 O8 -","- C49 H36 O8 -","- C196 H144 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1757","0.191","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210836","7.8893","0.0002","9.9296","0.0002","11.9272","0.0003","74.725","0.001","81.357","0.001","83.184","0.001","888.03","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0538","0.0424","","","0.1159","0.1246","","","","","","1.035","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210837","12.0986","0.0004","20.2849","0.0005","11.2091","0.0003","90","","98.449","0.001","90","","2721.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O9 -","- C30 H32 O9 -","- C120 H128 O36 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0753","0.0472","","","0.1236","0.1403","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210838","13.0066","0.0005","8.3251","0.0003","8.5054","0.0003","90","","106.143","0.002","90","","884.66","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0607","0.0457","","","0.1384","0.1595","","","","","","1.078","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210839","10.6996","0.0004","10.814","0.0004","11.0347","0.0004","84.07","0.002","89.396","0.002","87.954","0.002","1269.1","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0821","0.0512","","","0.1377","0.1573","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210840","27.539","0.002","7.4754","0.0004","25.6914","0.0019","90","","90","","90","","5289","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C57 H52 O8 -","- C57 H52 O8 -","- C228 H208 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1466","0.0801","","","0.1819","0.2031","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210841","4.97","0.0002","7.437","0.0003","7.9748","0.0004","85.355","0.002","82.615","0.002","75.241","0.002","282.32","0.02","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C12 H14 O6 -","1","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0511","0.0454","","","0.133","0.1396","","","","","","1.06","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210842","15.6242","0.0012","8.155","0.0006","8.4742","0.0006","90","","96.557","0.002","90","","1072.68","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0857","0.0517","","","0.132","0.1517","","","","","","1.045","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210843","28.1955","0.0019","14.1957","0.001","33.3812","0.0017","90","","135.955","0.003","90","","9288.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H58 Mn7 N13 O50 -","- C85 H58 Mn7 N13 O50 -","- C340 H232 Mn28 N52 O200 -","4","0.5","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0617","0.0418","","","0.1133","0.1286","","","","","","1.033","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210844","12.273","0.008","13.134","0.008","15.83","0.009","95.556","0.011","94.659","0.006","107.71","0.01","2403","3","386","2","386","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Mn4 N9 O27 -","- C42 H29 Mn4 N9 O27 -","- C84 H58 Mn8 N18 O54 -","2","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0931","0.0707","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210845","21.2387","0.001","16.0539","0.0008","14.6979","0.0007","90","","108.837","0.001","90","","4743","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Mn3 N8 O25 -","- C39 H41 Mn3 N8 O25 -","- C156 H164 Mn12 N32 O100 -","4","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0501","0.0357","","","0.0928","0.1057","","","","","","1.063","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210846","9.8523","0.0007","19.5244","0.0015","19.6699","0.0015","89.715","0.002","83.058","0.002","87.776","0.002","3753.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 Cd3 N4 O18 -","- C58 H78 Cd3 N4 O18 -","- C116 H156 Cd6 N8 O36 -","2","1","","Chaudhari, Abhijeet K.; Mukherjee, Soumya; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","Bi-porous metal‒organic framework with hydrophilic and hydrophobic channels: selective gas sorption and reversible iodine uptake studies","CrystEngComm","2013","15","45","9465","","10.1039/c3ce40795k","","","0.71073","MoKα","","0.1223","0.0993","","","0.292","0.3074","","","","","","1.221","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210847","11.552","0.005","14.116","0.006","10.387","0.004","90","","96.412","0.007","90","","1683.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag4 N4 O6 S2 -","- C10 H8 Ag4 N4 O6 S2 -","- C40 H32 Ag16 N16 O24 S8 -","4","1","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0402","0.0303","","","0.0813","0.0981","","","","","","1.135","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210848","10.0593","0.0019","23.506","0.005","7.2278","0.0014","90","","116.631","0.003","90","","1527.7","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag3 Cl N2 O4 S2 -","- C10 H8 Ag3 Cl N2 O4 S2 -","- C40 H32 Ag12 Cl4 N8 O16 S8 -","4","0.5","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0396","0.0296","","","0.0722","0.0782","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210849","11.0165","0.0009","10.8877","0.0008","16.1364","0.0013","90","","104.391","0.008","90","","1874.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1107","0.0563","","","0.0779","0.0931","","","","","","0.891","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210850","11.1621","0.0005","11.0123","0.0005","16.2424","0.0009","90","","104.843","0.005","90","","1929.9","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd N2 O4 -","- C21 H21 Cd N2 O4 -","- C84 H84 Cd4 N8 O16 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.036","0.0286","","","0.0692","0.0744","","","","","","1.069","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210851","9.2171","0.0018","10.278","0.002","17.086","0.005","90","","116.74","0.02","90","","1445.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0622","0.0518","","","0.1078","0.1143","","","","","","1.012","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210852","9.0664","0.0018","10.293","0.002","17.46","0.005","90","","115.29","0.02","90","","1473.2","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.031","0.0291","","","0.0646","0.0658","","","","","","1.09","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210853","11.922","0.002","14.355","0.003","13.754","0.003","90","","100.06","0.03","90","","2317.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0641","0.052","","","0.147","0.1643","","","","","","0.901","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210854","12.224","0.002","13.993","0.003","14.16","0.003","90","","99.42","0.03","90","","2389.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0402","0.034","","","0.0845","0.0944","","","","","","1.163","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210855","14.083","0.003","14.906","0.003","16.326","0.003","97.91","0.03","95.29","0.03","95.71","0.03","3358.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 N8 O12 S2 Zn2 -","- C72 H68 N8 O12 S2 Zn2 -","- C144 H136 N16 O24 S4 Zn4 -","2","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1506","0.095","","","0.2391","0.2903","","","","","","0.947","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210856","19.456","0.004","22","0.004","16.095","0.003","90","","99.83","0.03","90","","6788","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N4 O6 S -","- C36 H34 Cd N4 O6 S -","- C288 H272 Cd8 N32 O48 S8 -","8","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1262","0.0786","","","0.1775","0.213","","","","","","0.995","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210857","10.981","0.002","10.867","0.002","16.101","0.003","90","","104.41","0.03","90","","1860.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0565","0.0495","","","0.1018","0.1061","","","","","","1.066","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210858","9.2122","0.0018","10.31","0.002","17.092","0.005","90","","117.59","0.02","90","","1438.8","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0814","0.0718","","","0.1624","0.1686","","","","","","1.164","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210859","9.0575","0.0018","10.338","0.002","17.427","0.005","90","","115.35","0.02","90","","1474.7","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0538","0.0514","","","0.1109","0.1123","","","","","","1.132","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210860","11.936","0.002","14.277","0.003","13.726","0.003","90","","99.86","0.03","90","","2304.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0692","0.0625","","","0.1386","0.1432","","","","","","1.006","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210861","12.241","0.002","14.012","0.003","14.167","0.003","90","","99.53","0.03","90","","2396.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0705","0.0539","","","0.1002","0.1105","","","","","","0.991","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210862","21.83","0.014","21.83","0.014","52.55","0.04","90","","90","","120","","21688","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H214 Cl2 N48 O95 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1603","0.0845","","","0.2539","0.2826","","","","","","0.959","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210863","21.7553","0.0014","21.7553","0.0014","52.07","0.004","90","","90","","120","","21343","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H210 Cl2 N48 O93 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1165","0.0708","","","0.212","0.2347","","","","","","0.951","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210864","21.755","0.005","21.755","0.005","52.173","0.009","90","","90","","120","","21384","8","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H212 Cl2 N48 O94 Rb2 -","- C72 H72 Cl1.999 N48 O25 Rb2 -","- C432 H432 Cl11.994 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1237","0.0654","","","0.1793","0.1966","","","","","","0.906","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210865","21.879","0.008","21.879","0.008","52.67","0.04","90","","90","","120","","21835","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H436 Cl4 N96 O194 Rb4 -","- C144 H144 Cl4 N96 O50 Rb4 -","- C432 H432 Cl12 N288 O150 Rb12 -","3","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1532","0.0894","","","0.244","0.264","","","","","","0.915","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7210866","22.174","0.003","22.174","0.003","18.102","0.005","90","","90","","120","","7708","3","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C144 H380 Cl24 In6 N96 Na2 O164 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","1","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.0983","0.0603","","","0.1701","0.1829","","","","","","0.94","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210867","18.733","0.006","21.701","0.007","22.301","0.007","118.963","0.004","90.299","0.005","104.709","0.005","7584","4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H446 Cl8 N96 O199 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","1","0.5","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1384","0.0835","","","0.2258","0.2491","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210868","20.0954","0.0003","29.8975","0.0005","24.9908","0.0004","90","","110.867","0.002","90","","14029.7","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C435 H519 Cl40 Cu20 N113 O61 -","2","1","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.1028","0.074","","","0.1983","0.2182","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210869","12.6625","0.0007","12.7389","0.0007","15.6693","0.0007","91.249","0.004","102.326","0.004","108.969","0.005","2323.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","1","0.5","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.073","0.065","","","0.1822","0.1913","","","","","","1.022","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210870","4.697","0.0008","9.949","0.0014","15.105","0.002","103.05","0.012","92.105","0.013","96.701","0.013","681.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Co N O7 -","- C14 H13 Co N O7 -","- C28 H26 Co2 N2 O14 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1116","0.0625","","","0.0896","0.1133","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210871","4.911","0.0002","29.757","0.0011","10.197","0.0004","90","","103.639","0.004","90","","1448.13","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N Ni O8 -","- C14 H11 N Ni O8 -","- C56 H44 N4 Ni4 O32 -","4","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0695","0.0651","","","0.1665","0.1683","","","","","","1.251","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210872","8.413","0.0012","5.334","0.0007","13.284","0.0014","90","","97.52","0.013","90","","590.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C28 H18 Cu2 N2 O10 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0737","0.0528","","","0.0926","0.106","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210873","18.4215","0.0003","18.4215","0.0003","47.8464","0.0014","90","","90","","120","","14061.4","0.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cd N O5.5 -","- C14 H9 Cd N O5.49667 -","- C504 H324 Cd36 N36 O197.88 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71073","MoKα","","0.0681","0.0417","","","0.1038","0.1209","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210874","18.263","0.0014","18.263","0.0014","47.393","0.003","90","","90","","120","","13689.5","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Mn N O5.5 -","- C14 H9 Mn N O5.5 -","- C504 H324 Mn36 N36 O198 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1583","0.0781","","","0.1788","0.2293","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210875","14.843","0.0004","9.53","0.0003","12.658","0.0004","90","","103.631","0.003","90","","1740.09","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N4 O12 -","- C38 H30 Cu2 N4 O12 -","- C76 H60 Cu4 N8 O24 -","2","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0456","0.0349","","","0.0899","0.0967","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210876","7.916","0.0006","9.847","0.0006","12.377","0.0009","103.997","0.006","94.233","0.006","107.48","0.006","881.65","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","1","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0757","0.0486","","","0.0628","0.0734","","","","","","1.011","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210877","8.229","0.0004","9.735","0.0005","14.83","0.0008","89.604","0.004","76.115","0.004","65.898","0.005","1047.18","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Mn N3 O6 -","- C24 H19 Mn N3 O6 -","- C48 H38 Mn2 N6 O12 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0618","0.0412","","","0.0838","0.0974","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210878","29.716","0.006","18.584","0.004","22.937","0.005","90","","109.3","0.03","90","","11955","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H155 Cd3 N3 O25 -","- C129 H151 Cd3 N3 O25 -","- C516 H604 Cd12 N12 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0664","0.0605","","","0.1382","0.1418","","","","","","1.126","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210879","14.063","0.003","28.085","0.006","15.736","0.003","90","","109.45","0.03","90","","5860","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H73 Cd N O10 -","- C59 H57 Cd O7 -","- C236 H228 Cd4 O28 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0616","0.0531","","","0.1304","0.1373","","","","","","1.106","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210880","31.277","0.006","17.558","0.004","23.629","0.005","90","","110.54","0.03","90","","12151","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H157 Co3 N5 O25 -","- C131 H154 Co3 N5 O25 -","- C524 H616 Co12 N20 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1067","0.0972","","","0.2416","0.2489","","","","","","1.147","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210881","32.199","0.004","17.4926","0.0019","23.786","0.003","90","","115.27","0.02","90","","12115","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C130 H152 Mn3 N4 O23 -","- C126 H140 Mn3 N4 O22 -","- C504 H560 Mn12 N16 O88 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0806","0.0722","","","0.1723","0.1808","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210882","11.737","0.002","17.132","0.003","30.875","0.006","94.26","0.03","95.75","0.03","100.9","0.03","6038","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H156 N4 O22 Zn4 -","- C134 H154 N4 O22 Zn4 -","- C268 H308 N8 O44 Zn8 -","2","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0691","0.0624","","","0.1449","0.1483","","","","","","1.098","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210883","16.765","0.003","28.419","0.006","11.636","0.002","90","","99.94","0.03","90","","5460.7","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl N3 O11 Zn2 -","- C57 H38 Cl N3 O11 Zn2 -","- C228 H152 Cl4 N12 O44 Zn8 -","4","0.5","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1206","0.1095","","","0.2682","0.2819","","","","","","1.161","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210884","24.585","0.005","13.726","0.002","23.486","0.004","90","","95.409","0.007","90","","7890","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H74 Co3 N12 O18 -","- C86 H60 Co3 N12 O18 -","- C344 H240 Co12 N48 O72 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0737","0.0466","","","0.1151","0.1328","","","","","","1.019","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210885","24.1977","0.0017","13.9528","0.001","25.1006","0.0018","90","","96.677","0.002","90","","8417.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H62 Cd3 N10 O17 -","- C80 H56 Cd3 N10 O17 -","- C320 H224 Cd12 N40 O68 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0795","0.0714","","","0.1775","0.1817","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210886","28.157","0.002","16.659","0.0012","14.5584","0.0011","90","","93.284","0.003","90","","6817.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N6 O27 Zn4 -","- C56 H36 N6 O27 Zn4 -","- C224 H144 N24 O108 Zn16 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0723","0.0484","","","0.1375","0.1538","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210887","9.6563","0.0006","14.3534","0.001","15.571","0.001","87.588","0.002","74.823","0.002","85.179","0.002","2075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H66 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","1","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.052","0.0441","","","0.1205","0.1293","","","","","","1.046","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210888","10.1907","0.0004","10.2746","0.0004","13.2039","0.0006","80.321","0.001","81.001","0.001","66.278","0.001","1241.64","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N5 Ni O8 -","- C26 H16 N5 Ni O8 -","- C52 H32 N10 Ni2 O16 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0462","0.0386","","","0.0988","0.1069","","","","","","1.068","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210889","8.0093","0.0008","9.0265","0.0009","22.4","0.002","86.845","0.004","85.477","0.004","68.016","0.003","1496.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N4 O11 Zn -","- C31 H21 N4 O11 Zn -","- C62 H42 N8 O22 Zn2 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.1568","0.0757","","","0.1678","0.218","","","","","","1.008","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210890","20.048","0.004","12.245","0.002","29.217","0.006","90","","108.84","0.03","90","","6788","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cd N5 O6 -","- C39 H30 Cd N5 O6 -","- C312 H240 Cd8 N40 O48 -","8","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.1305","0.1142","","","0.2314","0.239","","","","","","1.186","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210891","15.5371","0.0006","15.4888","0.0006","9.0606","0.0004","90","","92.877","0.001","90","","2177.69","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd N2 O5 -","- C24 H18 Cd N2 O5 -","- C96 H72 Cd4 N8 O20 -","4","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.0332","0.0236","","","0.0506","0.0554","","","","","","1.029","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210892","24.217","0.013","11.868","0.007","10.137","0.006","90","","102.156","0.008","90","","2848","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cd N4 O4 -","- C34 H24 Cd N4 O4 -","- C136 H96 Cd4 N16 O16 -","4","0.5","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.051","0.0458","","","0.1135","0.1186","","","","","","1.041","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210893","7.711","0.003","8.959","0.003","9.103","0.003","88.46","0.005","88.793","0.004","74.567","0.005","605.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N4 O8 Zn2 -","- C9 H8 N4 O7 Zn2 -","- C18 H16 N8 O14 Zn4 -","2","1","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.0535","0.0415","","","0.1011","0.1098","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210894","13.739","0.002","24.301","0.003","15.179","0.002","90","","90","","90","","5067.8","1.2","120","1","120","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H46 Co8 N18 O33 -","- C27 H9 Co8 N18 O25 -","- C108 H36 Co32 N72 O100 -","4","0.5","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.2517","0.0827","","","0.2059","0.2383","","","","","","0.581","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210895","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","30","","30","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.1958","0.0877","","","0.1417","0.1666","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210896","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","300","","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.2548","0.0823","","","0.1166","0.1566","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210897","6.0867","0.0002","31.3792","0.0008","8.2848","0.0002","90","","108.618","0.001","90","","1499.55","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H19 Na3 O16 P2 -","- H19 Na3 O16 P2 -","- H76 Na12 O64 P8 -","4","1","","Perras, Frédéric A.; Korobkov, Ilia; Bryce, David L.","NMR crystallography of sodium diphosphates: combining dipolar, shielding, quadrupolar, diffraction, and computational information","CrystEngComm","2013","15","43","8727","","10.1039/c3ce40875b","","","0.71073","MoKα","","0.0265","0.0255","","","0.0739","0.0746","","","","","","1.01","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210898","22.241","0.005","8.9299","0.0018","21.092","0.004","90","","116.253","0.007","90","","3757","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C152 H152 Cu8 N24 O40 -","8","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0529","0.0357","","","0.0717","0.0781","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210899","10.3498","0.0007","10.8338","0.0008","20.2124","0.0015","84.101","0.001","78.486","0.001","76.172","0.001","2152.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O16 -","- C38 H50 Cu2 N6 O16 -","- C76 H100 Cu4 N12 O32 -","2","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0405","0.0329","","","0.0849","0.0896","","","","","","1.051","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210900","8.3395","0.0002","15.7388","0.0004","12.694","0.0004","90","","105.565","0.001","90","","1605.03","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N8 O10 Zn2 -","- C30 H28 N8 O10 Zn2 -","- C60 H56 N16 O20 Zn4 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0401","0.0339","","","0.0782","0.0813","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210901","9.4798","0.0012","10.1009","0.0012","11.1659","0.0014","96.353","0.006","111.398","0.005","99.654","0.005","964","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O6 Zn -","- C18 H19 N5 O6 Zn -","- C36 H38 N10 O12 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0827","0.0576","","","0.1523","0.169","","","","","","1.041","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210902","9.3228","0.0004","14.8745","0.0006","12.8792","0.0005","90","","102.712","0.002","90","","1742.21","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O6 Zn -","- C16 H16 N4 O6 Zn -","- C64 H64 N16 O24 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0633","0.0373","","","0.0961","0.1052","","","","","","1.068","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210903","8.4157","0.0005","16.7161","0.001","13.1197","0.0007","90","","90.98","0.002","90","","1845.38","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C68 H72 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0717","0.0439","","","0.1217","0.1346","","","","","","1.039","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210904","14.8499","0.0006","9.339","0.0004","35.7679","0.0015","90","","99.905","0.001","90","","4886.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N4 O6 Zn -","- C25 H27 N4 O6 Zn -","- C200 H216 N32 O48 Zn8 -","8","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0748","0.0558","","","0.1247","0.131","","","","","","1.094","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210905","8.4539","0.0005","16.364","0.001","13.255","0.0008","90","","92.011","0.002","90","","1832.56","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N4 O5 Zn -","- C16 H11 Br N4 O5 Zn -","- C64 H44 Br4 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0844","0.0527","","","0.16","0.1709","","","","","","1.089","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210906","9.5734","0.0004","10.1279","0.0004","11.314","0.0005","80.503","0.001","66.394","0.001","80.43","0.001","985.31","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 I N4 O7 Zn -","- C15 H15 I N4 O7 Zn -","- C30 H30 I2 N8 O14 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0472","0.0371","","","0.0923","0.0969","","","","","","1.055","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210907","12.5177","0.0005","7.5794","0.0003","15.9998","0.0006","90","","111.745","0.002","90","","1409.99","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N6 O12 Zn2 -","- C23 H14 N6 O12 Zn2 -","- C46 H28 N12 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0713","0.0463","","","0.1289","0.143","","","","","","1.053","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210908","9.361","0.003","10.108","0.003","11.47","0.004","95.845","0.012","112.739","0.01","97.487","0.012","978.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","1","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0879","0.0562","","","0.1411","0.1574","","","","","","0.972","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210909","9.446","0.002","14.595","0.004","13.058","0.003","90","","99.624","0.008","90","","1774.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N7 O5 Zn -","- C15 H13 N7 O5 Zn -","- C60 H52 N28 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.1824","0.0773","","","0.2065","0.2444","","","","","","1.172","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210910","62.779","0.007","62.779","0.007","62.779","0.007","90","","90","","90","","247425","5","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C23 H17 N O10 Zn2 -","- C21 H9 O10 Zn2 -","- C4032 H1728 O1920 Zn384 -","192","1","","Kim, Dongwook; Lah, Myoung Soo","Metal‒organic framework with two different types of rigid triscarboxylates: net topology and gas sorption behaviour","CrystEngComm","2013","15","45","9491","","10.1039/c3ce40929e","","","0.67","synchrotron","","0.1064","0.085","","","0.2807","0.3095","","","","","","1.188","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210911","5.0243","0.0008","26.279","0.005","6.0065","0.001","90","","96.332","0.006","90","","788.2","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0716","0.0468","","","0.1232","0.1484","","","","","","1.182","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210912","4.9534","0.0006","6.4415","0.0008","24.643","0.003","90","","90","","90","","786.29","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0442","0.0361","","","0.086","0.0896","","","","","","1.156","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210913","5.1527","0.0006","12.1505","0.0016","16.292","0.002","84.04","0.004","88.391","0.004","78.975","0.004","995.7","0.2","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0516","0.0328","","","0.0678","0.0754","","","","","","0.971","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210914","8.867","0.004","6.102","0.003","15.553","0.007","90","","103.913","0.011","90","","816.8","0.7","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H9 F4 I2 N O S -","- C13 H9 F4 I2 N O S -","- C26 H18 F8 I4 N2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0355","0.032","","","0.0752","0.0769","","","","","","1.036","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210915","4.5847","0.0003","19.1307","0.0016","8.9047","0.0006","90","","90","","90","","781.02","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","1.54184","CuKα","","0.0321","0.03","","","0.0873","0.0892","","","","","","1.101","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210916","6.7949","0.0005","4.5234","0.0003","12.2711","0.0009","90","","95.701","0.007","90","","375.3","0.05","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C5 H12 N2 O3 -","- C5 H12 N2 O3 -","- C10 H24 N4 O6 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0507","0.0455","","","0.1251","0.1294","","","","","","1.052","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7210917","10.0368","0.0002","7.6417","0.00018","18.6502","0.0004","90","","96.082","0.002","90","","1422.39","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 N11 O3 S4 -","- C16 H43 N11 O3 S4 -","- C32 H86 N22 O6 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0337","0.0267","","","0.0618","0.0656","","","","","","1.037","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210918","9.4441","0.0003","7.1099","0.0002","13.7207","0.0004","90","","94.022","0.003","90","","919.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N8 O2 S4 -","- C8 H24 N8 O2 S4 -","- C16 H48 N16 O4 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.038","0.028","","","0.0578","0.0607","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210919","6.419","0.001","10.026","0.002","10.326","0.002","69.67","0.02","80.22","0.02","80.44","0.01","610","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","NaBA_BA_2H2O","","","- C8 H11 N4 Na O8 -","- C8 H11 N4 Na O8 -","- C16 H22 N8 Na2 O16 -","2","1","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0982","0.072","","","0.1847","0.2032","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210920","14.686","0.005","16.19","0.002","10.926","0.003","90","","131.41","0.05","90","","1948.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","KBA_BA0.5_1.5H2O","","","- C12 H16 K2 N6 O12 -","- C12 H16 K2 N6 O12 -","- C48 H64 K8 N24 O48 -","4","0.5","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.7107","MoKα","","0.0799","0.0552","","","0.1382","0.1649","","","","","","0.924","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210921","51.935","0.007","11.828","0.003","12.781","0.003","90","","91.88","0.01","90","","7847","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BA_KBA_2H2O","","","- C8 H11 K N4 O8 -","- C8 H10.6667 K N4 O8 -","- C192 H256 K24 N96 O192 -","24","3","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0729","0.0593","","","0.1687","0.1791","","","","","","1.081","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210922","7.8795","0.0016","9.76","0.002","13.612","0.003","90","","90","","90","","1046.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,5,7-triazabicyclo[4.4.0]dec-5-ene.oxalicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.hydrogen oxalate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0692","0.071","","","","","","1.038","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210923","7.014","0.003","12.065","0.005","17.179","0.007","90","","90.118","0.006","90","","1453.8","1","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5,7-triazabicyclo[4.4.0]dec-5-ene.adipic acid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium hydrogen adipate","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0834","0.0533","","","0.1185","0.1329","","","","","","0.985","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210924","7.1832","0.0007","8.9257","0.0009","9.8008","0.001","71.298","0.001","75.374","0.001","81.203","0.001","574.13","0.1","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,5,7-triazabicyclo[4.4.0]dec-5-ene.glycolicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.glycolate","","- C9 H19 N3 O4 -","- C9 H18.996 N3 O3.998 -","- C18 H37.992 N6 O7.996 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0374","0.0335","","","0.0906","0.0942","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210925","13.031","0.0006","13.031","0.0006","29.498","0.0016","90","","90","","120","","4337.9","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","AlPO STA-2, as-prepared","","","- C16 H24 Al12 N4 O50 P12 -","- C15.98 H24 Al12 N4 O49.98 P12 -","- C47.94 H72 Al36 N12 O149.94 P36 -","3","0.166667","","Seymour, Valerie R.; Eschenroeder, Eike C. V.; Castro, Maria; Wright, Paul A.; Ashbrook, Sharon E.","Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2","CrystEngComm","2013","15","43","8668","","10.1039/c3ce40965a","","","1.54187","CuKα","","0.1716","0.1126","","","0.2973","0.3568","","","","","","1.25","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210926","17.87","0.002","17.87","0.002","7.7402","0.0009","90","","90","","90","","2471.7","0.5","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C48 H52 Cu F4 N12 O14 S -","- C48 H40 Cu F4 N12 O14 S -","- C96 H80 Cu2 F8 N24 O28 S2 -","2","0.25","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0703","0.0614","","","0.179","0.1855","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210927","18.1493","0.0017","18.1493","0.0017","7.9703","0.0008","90","","90","","90","","2625.4","0.4","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C48 H48 Cd F4 N12 O12 S -","- C48 H40 Cd F4 N12 O12 S -","- C96 H80 Cd2 F8 N24 O24 S2 -","2","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0344","0.0336","","","0.0888","0.0895","","","","","","1.092","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210928","13.2254","0.0008","14.6731","0.0009","17.1748","0.001","98.663","0.002","109.9","0.001","103.784","0.002","2944","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu N16 O8 S -","- C52 H40 Cu N16 O8 S -","- C104 H80 Cu2 N32 O16 S2 -","2","1","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0701","0.0551","","","0.1436","0.1522","","","","","","1.046","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210929","30.708","0.002","6.6182","0.0005","19.1423","0.0015","90","","94.254","0.002","90","","3879.6","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Co N10 O14 S -","- C32 H34 Co N10 O14 S -","- C128 H136 Co4 N40 O56 S4 -","4","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.1035","0.0836","","","0.218","0.2396","","","","","","1.063","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210930","9.0686","0.0006","9.8673","0.0007","10.1779","0.0008","96.769","0.006","94.398","0.006","102.954","0.006","876.36","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","1","0.5","","Zeisler, Christoph; Näther, Christian; Bensch, Wolfgang","A new synthetic approach to force bond formation between a transition metal complex and a thiostannate anion: solvothermal synthesis and crystal structure of [Co2(cyclam)2Sn2S6]·2H2O","CrystEngComm","2013","15","44","8874","","10.1039/c3ce40976g","","","0.71073","MoKα","","0.0361","0.0268","","","0.052","0.0539","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210931","12.395","0.003","18.092","0.004","14.144","0.003","90","","115.46","0.03","90","","2863.8","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 Co2 N10 O33 P2 -","- C38 H74 Co2 N10 O33 P2 -","- C76 H148 Co4 N20 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0892","0.0611","","","0.1137","0.1273","","","","","","1.015","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210932","10.924","0.002","22.372","0.005","20.725","0.004","90","","90","","90","","5065","1.8","153.15","","153.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H62 Cu2 N10 O27 P2 -","- C38 H62 Cu2 N10 O27 P2 -","- C152 H248 Cu8 N40 O108 P8 -","4","0.5","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.055","0.0462","","","0.1139","0.1186","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210933","12.387","0.003","18.193","0.004","14.163","0.003","90","","115.87","0.03","90","","2871.9","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 N10 Ni2 O33 P2 -","- C38 H74 N10 Ni2 O33 P2 -","- C76 H148 N20 Ni4 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0998","0.0673","","","0.1197","0.1379","","","","","","1.064","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210934","11.359","0.002","14.395","0.003","14.726","0.003","90","","90","","90","","2407.9","0.8","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Co N4 O13 P -","- C19 H27 Co N4 O13 P -","- C76 H108 Co4 N16 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0461","0.0382","","","0.078","0.0813","","","","","","0.998","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210935","11.272","0.002","14.383","0.003","14.72","0.003","90","","90","","90","","2386.5","0.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N4 Ni O13 P -","- C19 H27 N4 Ni O13 P -","- C76 H108 N16 Ni4 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0516","0.0406","","","0.0897","0.0941","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210936","24.117","0.005","7.1088","0.0014","19.077","0.004","90","","112.94","0.03","90","","3012","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Co2 N2 O20 -","- C70 H46 Co2 N2 O20 -","- C140 H92 Co4 N4 O40 -","2","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1658","0.0847","","","0.1764","0.2243","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210937","18.4701","0.0016","44.767","0.005","7.2462","0.0008","90","","90","","90","","5991.5","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C70 H60 Cd2 N2 O17 -","- C70 H44 Cd2 N2 O17 -","- C280 H176 Cd8 N8 O68 -","4","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1873","0.1115","","","0.223","0.2737","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210938","9.9355","0.001","12.1661","0.0013","23.473","0.003","75.392","0.002","80.66","0.002","79.549","0.002","2679.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Eu N2 O12 -","- C48 H24 Eu O9 -","- C96 H48 Eu2 O18 -","2","1","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.0672","0.0511","","","0.1077","0.1132","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210939","29.5937","0.0008","29.5937","0.0008","10.168","0.0005","90","","90","","90","","8905","0.6","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C66 H54 B2 F4 N8 O13 Zn3 -","- C66 H6 B2 F4 N8 O13 Zn3 -","- C264 H24 B8 F16 N32 O52 Zn12 -","4","0.25","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.1001","0.0771","","","0.2233","0.2415","","","","","","1.1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210940","25.4125","0.0008","25.4125","0.0008","19.8941","0.0012","90","","90","","120","","11126.3","0.8","291","2","291","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C32 H27 B Cd F2 N4 O4 -","- C32 H27.65 B Cd F2 N4 O4 -","- C192 H165.9 B6 Cd6 F12 N24 O24 -","6","0.5","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.0821","0.0585","","","0.1704","0.1816","","","","","","1.009","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210941","11.304","0.0002","19.5436","0.0004","11.8709","0.0002","90","","92.304","0.001","90","","2620.41","0.08","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 Sb -","- C22 H23 Ag F6 N4 O4 Sb -","- C88 H92 Ag4 F24 N16 O16 Sb4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0796","0.0468","","","0.1402","0.1634","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210942","11.2301","0.0006","19.192","0.0011","11.8597","0.0006","90","","92.214","0.002","90","","2554.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 P -","- C22 H23 Ag F6 N4 O4 P -","- C88 H92 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0823","0.0631","","","0.1737","0.1949","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210943","11.403","0.003","12.604","0.004","20.686","0.005","89.498","0.015","89.662","0.015","84.312","0.016","2958.3","1.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C104 H110 Ag4 F28 N16 O16 Sb4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.1045","0.06","","","0.1652","0.1956","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210944","11.3548","0.0005","20.4728","0.0007","12.5381","0.0004","90","","95.959","0.001","90","","2898.91","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Ag F6 N4 O4 P -","- C26 H28 Ag F6 N4 O4 P -","- C104 H112 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0888","0.0604","","","0.1916","0.2156","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210945","7.4347","0.0004","18.1183","0.001","15.1884","0.0009","90","","95.864","0.003","90","","2035.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C70 H64 Ag4 F24 N8 O10 Sb4 -","2","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0453","0.0395","","","0.1003","0.1051","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210946","13.5994","0.0005","9.9972","0.0005","14.0444","0.0007","90","","90","","90","","1909.42","0.15","298","2","298","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C17 H16 Ag F6 N2 O3 P -","- C17 H16 Ag F6 N2 O3 P -","- C68 H64 Ag4 F24 N8 O12 P4 -","4","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0572","0.0505","","","0.1682","0.1744","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210947","7.1344","0.0002","9.0828","0.0003","16.2936","0.0006","90","","102.446","0.002","90","","1031.02","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0427","0.0342","","","0.1229","0.1377","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210948","8.8137","0.0007","11.885","0.0004","12.882","0.0004","115.13","0.001","102.974","0.002","95.33","0.002","1163.07","0.11","275","2","275","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","2","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.079","0.0524","","","0.1342","0.1524","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210949","9.357","0.0006","9.7318","0.001","9.7501","0.0005","103.814","0.004","117.36","0.003","104.07","0.004","698.71","0.1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0717","0.0462","","","0.1128","0.1274","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210950","26.359","0.005","15.14","0.003","20.434","0.004","90","","99.63","0.03","90","","8040","3","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C288 H248 Cl4 Cu20 Gd8 I16 N24 O92 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0654","0.0591","","","0.1419","0.1477","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210951","56.02","0.018","10.073","0.003","20.97","0.007","90","","106.13","0.005","90","","11367","6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C400 H320 Cl8 Cu28 I20 La16 N32 O160 -","4","0.5","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0683","0.0526","","","0.1569","0.1977","","","","","","1.029","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210952","10.1624","0.0002","21.5001","0.0002","27.9291","0.0004","104.614","0.011","99.824","0.009","101.566","0.008","5625.3","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C204 H160 Cu14 I12 La8 N16 Na2 O72 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0681","0.0556","","","0.1989","0.2106","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210953","9.91","0.0007","16.4571","0.0011","10.5782","0.0007","90","","103.579","0.001","90","","1677","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cu2 I2 N4 -","- C12 H18 Cu2 I2 N4 -","- C48 H72 Cu8 I8 N16 -","4","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.036","0.0315","","","0.0849","0.0876","","","","","","1.069","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210954","4.2896","0.0009","10.405","0.002","12.346","0.003","110.327","0.003","95.585","0.003","92.3","0.003","512.66","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cu2 I2 N2 -","- C6 H9 Cu2 I2 N2 -","- C12 H18 Cu4 I4 N4 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0355","0.0315","","","0.0813","0.0852","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210955","10.3645","0.0008","10.7637","0.0009","12.0346","0.001","106.935","0.0012","90.3554","0.0013","101.801","0.0011","1254.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0399","0.0304","","","0.0667","0.0716","","","","","","1.02","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210956","8.3121","0.0014","12.843","0.002","10.0096","0.0017","90","","90","","90","","1068.5","0.3","298","2","298","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C6 H5 Cu2 I2 N2 -","- C6 H5 Cu2 I2 N2 -","- C24 H20 Cu8 I8 N8 -","4","0.5","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0254","0.0229","","","0.0631","0.065","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210957","7.7974","0.0016","9.6942","0.0019","11.209","0.002","115.68","0.003","101.089","0.003","109.236","0.003","662.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C24 H20 Cu2 I2 N8 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.038","0.031","","","0.0742","0.079","","","","","","1.009","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210958","43.528","0.014","4.1804","0.0013","24.057","0.007","90","","115.413","0.005","90","","3954","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu4 I4 N4 -","- C12 H10 Cu4 I4 N4 -","- C96 H80 Cu32 I32 N32 -","8","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0609","0.0381","","","0.0799","0.0898","","","","","","1.016","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210959","10.2669","0.0012","10.7531","0.0014","11.8781","0.0015","106.838","0.002","90.109","0.002","101.79","0.002","1226","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0293","0.0252","","","0.0688","0.0804","","","","","","1.154","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210960","10.2961","0.0009","10.7386","0.001","11.9132","0.001","106.768","0.001","90.207","0.001","101.726","0.001","1232.14","0.19","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0279","0.0249","","","0.0598","0.0632","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210961","10.352","0.002","10.76","0.002","11.977","0.002","106.782","0.003","90.335","0.003","101.715","0.003","1247.7","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0398","0.0313","","","0.078","0.0892","","","","","","1.095","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210962","20.467","0.003","20.467","0.003","34.344","0.007","90","","90","","90","","14387","4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C44 H50 Cu2 Mn2 N6 O21 -","- C44 H44 Cu2 Mn2 N6 O21 -","- C352 H352 Cu16 Mn16 N48 O168 -","8","1","","Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture","CrystEngComm","2013","15","45","9312","","10.1039/c3ce41022f","","x-ray","0.7379","monocromaticsynchrotron","","0.0842","0.0788","","","0.2218","0.2274","","","","","","1.07","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210963","7.8765","0.0007","8.8951","0.0008","9.798","0.0009","111.508","0.008","96.724","0.007","103.525","0.008","605.15","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0412","0.0341","","","0.0864","0.0907","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210964","7.8111","0.0003","9.2247","0.0004","9.9092","0.0004","112.132","0.004","94.384","0.003","105.209","0.003","625.84","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C26 H26 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.058","0.0468","","","0.0929","0.0962","","","","","","1.094","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210965","10.087","0.002","18.483","0.004","7.299","0.002","90","","103.53","0.03","90","","1323","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 I N2 O -","- C13 H13 I N2 O -","- C52 H52 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0905","0.0385","","","0.0663","0.0753","","","","","","0.858","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210966","7.0907","0.001","9.6958","0.0009","10.6145","0.0012","98.732","0.009","101.034","0.011","110.132","0.011","653.46","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C28 H30 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0507","0.0407","","","0.1067","0.1146","","","","","","1.043","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210967","7.1357","0.0009","9.8039","0.0014","10.6502","0.0017","73.234","0.013","79.126","0.013","69.98","0.012","666.93","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.08","0.0497","","","0.0957","0.1086","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210968","10.996","0.0011","18.6186","0.0017","7.3756","0.0008","90","","107.184","0.011","90","","1442.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.1003","0.047","","","0.0833","0.1028","","","","","","0.963","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210969","16.712","0.002","10.3361","0.001","7.5219","0.0008","90","","110.794","0.013","90","","1214.7","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F N2 O2 -","- C13 H15 F N2 O2 -","- C52 H60 F4 N8 O8 -","4","0.5","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0785","0.046","","","0.1145","0.132","","","","","","1.018","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210970","18.043","0.0012","7.0446","0.0006","20.792","0.002","90","","90","","90","","2642.8","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","1.54184","CuKα","","0.157","0.0738","","","0.1642","0.213","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210971","11.061","0.002","11.061","0.002","17.145","0.003","90","","90","","90","","2097.6","0.6","293","2","293","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C16 H16 Cl8 Cu4 K8 Li4 O76 Ru8 -","4","0.25","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0633","0.0537","","","0.1501","0.1589","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210972","10.9758","0.0009","11.2844","0.001","17.2476","0.0014","90","","90","","90","","2136.2","0.3","296","2","296","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C16 H16 Br8 Cu4 K8 Li4 O76 Ru8 -","4","0.5","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0303","0.0241","","","0.0602","0.0632","","","","","","1.032","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210973","9.3967","0.0003","9.3967","0.0003","32.3703","0.0018","90","","90","","90","","2858.2","0.2","296","2","296","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H24 Cu4 I2 N4 S4 W -","- C24 H24 Cu4 I2 N4 S4 W -","- C48 H48 Cu8 I4 N8 S8 W2 -","2","0.25","","Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen","The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane","CrystEngComm","2013","15","36","7354","","10.1039/c3ce41033a","","","0.71073","MoKα","","0.0345","0.0323","","","0.1202","0.1217","","","","","","1.01","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210974","13.629","0.003","24.248","0.005","14.286","0.003","90","","104.645","0.003","90","","4567.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N2 O5 Zn -","- C18 H12 N2 O5 Zn -","- C144 H96 N16 O40 Zn8 -","8","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0623","0.0447","","","0.1201","0.1278","","","","","","0.961","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210975","10.163","0.006","10.737","0.006","11.3","0.006","74.521","0.009","89.84","0.009","68.492","0.009","1099.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 Ni O7 -","- C18 H10 N2 Ni O7 -","- C36 H20 N4 Ni2 O14 -","2","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0618","0.0547","","","0.1613","0.167","","","","","","1.057","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210976","9.6938","0.0014","13.682","0.002","16.569","0.002","90","","93.601","0.002","90","","2193.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N6 O5 Zn -","- C23 H15 N6 O5 Zn -","- C92 H60 N24 O20 Zn4 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0539","0.0364","","","0.0875","0.0962","","","","","","1.026","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210977","16.784","0.002","12.9256","0.0018","14.555","0.002","90","","108.565","0.002","90","","2993.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 N0 O11 Zn2 -","- C16 H6 O11 Zn2 -","- C64 H24 O44 Zn8 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0768","0.0695","","","0.2229","0.2315","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210978","8.82","","8.9583","0.0001","10.4738","0.0005","77.724","0.017","80.631","0.017","62.901","0.011","717.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Cu N O8 -","- C9 H16 Cl Cu N O8 -","- C18 H32 Cl2 Cu2 N2 O16 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0555","0.0487","","","0.1294","0.1351","","","","","","1.172","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210979","7.1898","0.0001","10.0419","0.0001","12.11","0.0001","98.042","0.013","103.19","0.008","110.599","0.009","773.24","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl2 N O8 Pr -","- C9 H16 Cl2 N O8 Pr -","- C18 H32 Cl4 N2 O16 Pr2 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0153","0.0145","","","0.0359","0.0362","","","","","","1.079","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210980","10.9253","0.0014","9.6867","0.001","18.827","0.002","90","","95.438","0.01","90","","1983.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Eu N O11 -","- C9 H8 Cl2 Eu N O12.006 -","- C36 H32 Cl8 Eu4 N4 O48.024 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0758","0.064","","","0.1176","0.1246","","","","","","1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210981","10.919","0.003","9.67","0.002","18.815","0.005","90","","95.275","0.004","90","","1978.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Gd N O11 -","- C9 H8 Cl2 Gd N O12 -","- C36 H32 Cl8 Gd4 N4 O48 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0284","","","0.0718","0.0738","","","","","","1.005","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210982","12.865","0.004","9.172","0.003","15.432","0.005","90","","113.897","0.005","90","","1664.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl2 Er N O9 -","- C9 H18 Cl1.9951 Er N O9 -","- C36 H72 Cl7.9804 Er4 N4 O36 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0305","","","0.0707","0.0729","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210983","15.999","0.0015","10.6917","0.0014","14.4959","0.0019","90","","116.938","0.008","90","","2210.6","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 Co2 N8 O18 -","- C42 H32 Co2 N8 O18 -","- C84 H64 Co4 N16 O36 -","2","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0703","0.0468","","","0.1091","0.1179","","","","","","1.105","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210984","27.882","0.003","13.2793","0.0016","18.463","0.002","90","","107.198","0.002","90","","6530.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 Co3 N16 O16 -","- C66 H42 Co3 N16 O16 -","- C264 H168 Co12 N64 O64 -","4","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0719","0.057","","","0.1424","0.1494","","","","","","1.042","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210985","20.096","0.001","23.088","0.001","14.616","0.001","90","","90","","90","","6781.5","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 Co2 N8 O11 -","- C33 H25 Co2 N8 O11 -","- C264 H200 Co16 N64 O88 -","8","1","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71069","MoKα","","0.0579","0.0499","","","0.1499","0.1555","","","","","","1.337","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210986","15.0103","0.0008","15.0103","0.0008","10.0791","0.0012","90","","90","","90","","2270.9","0.3","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C H Co N O -","- C3.03448 H1.51724 Co0.137931 N0.413793 O -","- C88 H44 Co4 N12 O29 -","29","3.625","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1061","0.0811","","","0.2106","0.2387","","","","","","1.107","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210987","17.465","0.018","9.797","0.01","16.253","0.016","90","","104.207","0.012","90","","2696","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Co N O7 -","- C13 H13 Co N O7 -","- C104 H104 Co8 N8 O56 -","8","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0467","0.0345","","","0.0864","0.0912","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210988","7.233","0.003","10.039","0.005","10.219","0.005","114.141","0.005","99.715","0.005","103.757","0.006","627.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H0 N Ni O5 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0514","0.0403","","","0.097","0.1027","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210989","10.344","0.007","13.377","0.009","15.091","0.01","76.574","0.009","78.994","0.008","85.999","0.008","1993","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1921","0.0981","","","0.2324","0.2814","","","","","","0.936","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210990","10.22","0.015","13.41","0.02","15.08","0.02","76.59","0.02","78.429","0.017","86.24","0.02","1969","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2603","0.089","","","0.1816","0.2595","","","","","","0.947","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210991","12.824","0.009","10.318","0.007","31.48","0.02","90","","101.75","","90","","4078","5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C H Co N O -","- C3.92157 H2.35294 Co0.156863 N0.470588 O0.627451 -","- C200 H120 Co8 N24 O32 -","51","12.75","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.097","0.0588","","","0.1296","0.1424","","","","","","0.923","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210992","10.254","0.004","13.361","0.006","16.14","0.005","90","","125.468","0.018","90","","1800.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N6 Ni2 O13 -","- C30 H40 N6 Ni2 O13 -","- C60 H80 N12 Ni4 O26 -","2","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0475","0.0404","","","0.1033","0.1081","","","","","","1.071","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210993","8.318","0.01","10.274","0.016","10.462","0.011","110.18","0.01","102.095","0.011","98.619","0.013","796.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H0 N0 O0 Pb -","- C18 H11 N2 O4 Pb -","- C36 H22 N4 O8 Pb2 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0479","0.0432","","","0.1063","0.1084","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210994","20.547","0.009","9.966","0.005","15.687","0.007","90","","99.638","0.006","90","","3167","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H0 Co N0 O0 -","- C25 H16 Co N5 O6 -","- C100 H64 Co4 N20 O24 -","4","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1095","0.0788","","","0.2189","0.2438","","","","","","1.077","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210995","9.94","0.02","10.51","0.02","10.98","0.02","74.51","0.03","67.11","0.03","74.83","0.03","1002","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Co N3 O9 -","- C19 H13 Co N3 O9 -","- C38 H26 Co2 N6 O18 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2175","0.0822","","","0.1619","0.2081","","","","","","0.818","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210996","12.2391","0.0009","16.214","0.0009","18.1327","0.001","106.807","0.005","103.456","0.006","105.134","0.006","3134.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Eu2 N5 O26 P3 -","- C46 H38 Eu2 N5 O26 P3 -","- C92 H76 Eu4 N10 O52 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.1184","0.0769","","","0.195","0.2274","","","","","","1.03","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210997","34.882","0.004","12.059","0.002","15.391","0.003","90","","90","","90","","6474.1","1.8","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C44 H51 Eu2 N4 O28 P3 -","- C44 H31 Eu2 N4 O28 P3 -","- C176 H124 Eu8 N16 O112 P12 -","4","0.5","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.148","0.0752","","","0.1593","0.1892","","","","","","0.944","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210998","9.2371","0.0003","9.8604","0.0003","30.4599","0.001","96.869","0.003","92.323","0.002","92.071","0.002","2749.81","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H38 Eu2 N5 O24 P3 -","- C47 H38 Eu2 N5 O24 P3 -","- C94 H76 Eu4 N10 O48 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.0737","0.0594","","","0.127","0.1343","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210999","33.0001","0.0004","33.0001","0.0004","33.0001","0.0004","90","","90","","90","","35937.3","0.8","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C330 H534 N51 O75 Tb3 -","- C132 H72 O27 Tb3 -","- C528 H288 O108 Tb12 -","4","0.0833333","","He, Yabing; Furukawa, Hiroyasu; Wu, Chuande; O'Keeffe, Michael; Chen, Banglin","A mesoporous lanthanide‒organic framework constructed from a dendritic hexacarboxylate with cages of 2.4 nm","CrystEngComm","2013","15","45","9328","","10.1039/c3ce41062e","","","0.71073","MoKα","","0.1777","0.0698","","","0.1495","0.1675","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211000","5.893","0.0007","8.8346","0.0011","15.801","0.002","99.553","0.006","99.826","0.007","109.432","0.006","742.11","0.17","296","2","296","2","","","","","","","synthesis","7","P 1","P 1","1","complex2","Complex2","","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","1","1","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.0647","0.057","","","0.1466","0.1515","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211001","18.365","0.004","21.101","0.005","27.684","0.006","90","","90","","90","","10728","4","296","2","296","2","","","","","","","syn","6","C 2 2 21","C 2c 2","20","complex3","Complex3","","- C78 H114 Cs Cu3 N7 O27 -","- C78 H102 Cs Cu3 N6 O18 -","- C312 H408 Cs4 Cu12 N24 O72 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1373","0.1041","","","0.2668","0.2883","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211002","17.675","0.005","21.173","0.005","26.561","0.005","90","","90","","90","","9940","4","296","2","296","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","Complex5","Complex5","","- C78 H102 Br Cu3 K N6 O23 -","- C78 H102 Br Cu3 K N6 O23 -","- C312 H408 Br4 Cu12 K4 N24 O92 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1428","0.057","","","0.1232","0.1631","","","","","","1.037","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211003","18.5555","0.0012","20.9943","0.0013","27.1327","0.0016","90","","90","","90","","10569.8","1.1","296","2","296","2","","","","","","","syn","7","C 2 2 21","C 2c 2","20","Complex6","Complex6","","- C80 H96 Cu3 I K N6 O27 -","- C80 H96 Cu3 I K N6 O27 -","- C320 H384 Cu12 I4 K4 N24 O108 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1504","0.1101","","","0.3032","0.3224","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211004","6.115","0.002","6.85","0.001","20.781","0.002","90","","90","","90","","870.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","","Adhikari, Soma; Seth, Saikat Kumar; Kar, Tanusree","Structural studies and physicochemical properties of l-valine hydrochloride monohydrate","CrystEngComm","2013","15","36","7372","","10.1039/c3ce41079j","","","0.71073","MoKα","","0.0178","0.0178","","","0.0465","0.0465","","","","","","1.171","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211005","12.2465","0.0018","8.9751","0.0013","21.857","0.003","90","","116.809","0.006","90","","2144.2","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","1","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.11","0.0957","","","0.167","0.173","","","","","","1.29","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211006","10.959","0.01","12.244","0.01","14.385","0.017","87.42","0.05","88.82","0.05","68.55","0.05","1795","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H70 Mn N20 O19 -","- C78 H66 Mn N20 O18 -","- C78 H66 Mn N20 O18 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71075","MoKα","","0.164","0.0977","","","0.207","0.241","","","","","","1.125","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211007","8.861","0.005","13.585","0.007","19.115","0.009","97.849","0.004","94.829","0.006","106.464","0.01","2167.6","1.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H70 Cl12 Mn N20 O18 -","- C78 H66 Mn N18 O12 -","- C78 H66 Mn N18 O12 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.6889","synchrotron","","0.137","0.119","","","0.338","0.355","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211008","35.385","0.011","8.383","0.003","20.831","0.006","90","","122.313","0.005","90","","5222","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H51 Mn N15 O15 -","- C55 H51 Mn N15 O15 -","- C220 H204 Mn4 N60 O60 -","4","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.127","0.0839","","","0.182","0.199","","","","","","1.084","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211009","11.4086","0.0015","25.257","0.003","12.6476","0.0017","90","","103.292","0.003","90","","3546.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu9 N12 O43 S4 -","- C44 H42 Cu9 N12 O43 S4 -","- C88 H84 Cu18 N24 O86 S8 -","2","0.5","","Zhu, Xia; Zhao, Shan; Peng, Yan-Fen; Li, Bao-Long; Wu, Bing","A (3,14)-connected three-dimensional metal‒organic framework based on the unprecedented enneanuclear copper(ii) cluster [Cu9(μ3-OH)4(μ2-OH)2]","CrystEngComm","2013","15","44","9154","","10.1039/c3ce41086b","","","0.71075","MoKα","","0.0934","0.0743","","","0.1752","0.1909","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211010","7.6333","0.0003","24.1332","0.0011","30.5291","0.0014","90","","93.505","0.003","90","","5613.4","0.4","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MMPF-7","","","- C48 H24 In1.29 N4 O8.57 -","- C48 H24 In1.285 N4 O8.57 -","- C192 H96 In5.14 N16 O34.28 -","4","0.5","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","1.54178","CuKα","","0.0758","0.0535","","","0.1291","0.1367","","","","","","0.951","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211011","41.982","0.002","21.5588","0.0012","43.755","0.002","90","","92.635","0.001","90","","39560","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","MMPF-8","","","- C72 H40 In2 N4 O10 -","- C72 H40 In2 N4 O10 -","- C1152 H640 In32 N64 O160 -","16","4","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","0.41328","synchrotron","","0.1043","0.0699","","","0.177","0.1891","","","","","","1.049","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211012","15.1849","0.0004","17.0797","0.0004","18.8731","0.0004","90","","97.172","0.002","90","","4856.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Cu2 N3 O10 -","- C30 H29 Cu2 N3 O10 -","- C120 H116 Cu8 N12 O40 -","4","0.5","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.0528","0.048","","","0.1491","0.156","","","","","","1.069","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211013","10.6325","0.0009","10.7258","0.0008","18.3532","0.0014","76.671","0.006","86.717","0.006","74.278","0.007","1960.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cu2 N O10 -","- C24 H15 Cu2 N O10 -","- C48 H30 Cu4 N2 O20 -","2","1","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.1269","0.0903","","","0.2137","0.2342","","","","","","0.982","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211014","25.622","0.002","13.8443","0.0013","25.612","0.004","90","","116.582","0.001","90","","8124.7","1.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 N0 O16 Si2 Zn3 -","- C56 H34 O16 Si2 Zn3 -","- C224 H136 O64 Si8 Zn12 -","4","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0595","0.0536","","","0.1259","0.1282","","","","","","1.006","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211015","13.935","0.0016","14.196","0.003","14.6708","0.0017","107.988","0.002","113.735","0.001","100.298","0.002","2368.8","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0963","0.0777","","","0.2562","0.2693","","","","","","1","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211016","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211017","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211018","38.22","0.02","29.788","0.019","25.377","0.016","90","","99.005","0.008","90","","28536","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H66 O39 Si4 Zn9 -","- C112 H66 O39 Si4 Zn9 -","- C448 H264 O156 Si16 Zn36 -","4","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.2487","0.0803","","","0.1782","0.1895","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211019","12.706","0.004","12.706","0.004","23.817","0.008","90","","90","","90","","3845","2","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C28 H16 O10 Si Zn2 -","- C28 H16 O10 Si Zn2 -","- C56 H32 O20 Si2 Zn4 -","2","0.125","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.1014","0.0537","","","0.1166","0.127","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211020","13.775","0.004","14.507","0.004","24.244","0.007","83.217","0.003","81.797","0.003","65.572","0.003","4357","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 Cd4 O20 Si2 -","- C56 H32 Cd4 O20 Si2 -","- C112 H64 Cd8 O40 Si4 -","2","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.152","0.1254","","","0.2771","0.2893","","","","","","1.008","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211021","36.85","0.02","7.469","0.004","8.756","0.005","90","","90","","90","","2410","2","173","2","173","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C26 H26 Mg N0 O5 S -","- C26 H26 Mg O5 S -","- C104 H104 Mg4 O20 S4 -","4","0.25","","Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A.; Raiff, Aaron M.; Zhou, Hong-Cai","Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains","CrystEngComm","2013","15","45","9688","","10.1039/c3ce41106k","","","0.71073","MoKα","","0.1139","0.0676","","","0.1946","0.2291","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211022","9.8606","0.0015","11.6737","0.0017","12.5124","0.0018","66.93","0.002","74.602","0.003","65.787","0.002","1199.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","1","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0439","0.0358","","","0.1167","0.1531","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211023","5.4767","0.0007","10.4619","0.0013","17.4891","0.0019","90","","106.381","0.004","90","","961.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cd F4 N2 O8 -","- C14 H18 Cd F4 N2 O8 -","- C28 H36 Cd2 F8 N4 O16 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0255","0.0239","","","0.0723","0.0733","","","","","","1.074","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211024","18.597","0.004","17.566","0.003","19.258","0.004","90","","116.427","0.002","90","","5633.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C148 H128 Cl48 N16 Na8 O68 Zn8 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0856","0.0637","","","0.1737","0.197","","","","","","1.033","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211025","10.3749","0.0008","17.7228","0.0014","14.3154","0.0011","90","","106.919","0.002","90","","2518.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl6 K N2 O7 Zn -","- C17 H14 Cl6 K N2 O7 Zn -","- C68 H56 Cl24 K4 N8 O28 Zn4 -","4","1","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0563","0.0373","","","0.1167","0.1364","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211026","14.426","0.003","47.197","0.008","7.0539","0.0013","90","","107.58","0.008","90","","4578.4","1.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 Cd8 F32 O59 -","- C64 H54 Cd8 F32 O59 -","- C128 H108 Cd16 F64 O118 -","2","0.25","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0803","0.0556","","","0.1293","0.1362","","","","","","1.099","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211027","5.349","0.002","12.309","0.006","15.159","0.006","90","","95.851","0.009","90","","992.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cl4 O14 Zn -","- C8 H20 Cl4 O14 Zn -","- C16 H40 Cl8 O28 Zn2 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0713","0.0597","","","0.1689","0.1716","","","","","","1.055","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211028","24.377","0.003","24.377","0.003","24.856","0.005","90","","90","","120","","12792","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H36 Co9 N36 Na6 O66 -","- C48 H6 Co9 N36 Na6 O66 -","- C144 H18 Co27 N108 Na18 O198 -","3","0.166667","","Tian, Dan; Liu, Sui-Jun; Chang, Ze; Zhang, Ying-Hui; Zhao, Jiong-Peng; Bu, Xian-He","Edge-directed assembly of a 3D 2p–3d heterometallic metal–organic framework based on a cubic Co8(TzDC)12 cage","CrystEngComm","2013","15","45","9344","","10.1039/c3ce41117f","","","0.71073","MoKα","","0.2073","0.1868","","","0.534","0.5476","","","","","","2.188","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211029","23.91","0.003","23.91","0.003","23.91","0.003","90","","90","","90","","13669","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H36 O32 Zr6 -","- C72 H36 O32 Zr6 -","- C288 H144 O128 Zr24 -","4","0.0208333","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0734","0.0701","","","0.1881","0.1934","","","","","","1.089","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211030","16.994","0.003","18.454","0.004","22.477","0.004","90","","90","","90","","7049","2","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.125","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0547","0.05","","","0.1512","0.1619","","","","","","1.18","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211031","17.6","0.002","17.6","0.002","22.6","0.004","90","","90","","90","","7000.6","1.7","293","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.0625","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0579","0.0554","","","0.1624","0.1642","","","","","","1.17","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211032","22.53","0.005","25.38","0.005","16.9","0.003","90","","90","","90","","9664","3","296","2","296","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C40 H24 O32 Zr6 -","- C40 H24 O32 Zr6 -","- C160 H96 O128 Zr24 -","4","0.25","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.1512","0.123","","","0.3064","0.3232","","","","","","1.527","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211033","13.0268","0.0004","23.255","0.0006","10.1923","0.0003","90","","90","","90","","3087.64","0.15","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C69 H50 In2 N4 O14 -","- C69 H50 In2 N4 O14 -","- C138 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.0978","0.0587","","","0.1544","0.1814","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211034","12.4606","0.0003","23.6079","0.0007","10.0948","0.0003","90","","90","","90","","2969.57","0.14","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C65 H50 In2 N4 O14 -","- C65 H50 In2 N4 O14 -","- C130 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.1326","0.0717","","","0.2095","0.2542","","","","","","1.038","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211035","18.7659","0.0011","18.7659","0.0011","11.3114","0.0013","90","","90","","120","","3449.7","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","1","0.166667","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1406","0.1045","","","0.3207","0.3418","","","","","","1.187","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211036","29.26","0.04","9.821","0.014","18.95","0.03","90","","113.821","0.017","90","","4982","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu N O5 -","- C24 H21 Cu N O5 -","- C192 H168 Cu8 N8 O40 -","8","1","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.102","0.0582","","","0.2105","0.232","","","","","","0.707","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211037","18.041","0.0038","27.83","0.0058","24.1272","0.0051","90","","106.695","0.003","90","","11603","4","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C118 H142 Cu4 N10 O88 P W12 -","- C118 H142 Cu4 N10 O88 P W12 -","- C236 H284 Cu8 N20 O176 P2 W24 -","2","0.5","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1178","0.0673","","","0.2236","0.2716","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211038","10.3697","0.0004","12.6801","0.0003","7.7756","0.0002","90","","109.059","0.004","90","","966.36","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","2","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0315","0.029","","","0.0797","0.0931","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211039","10.453","0.0002","12.7369","0.0002","7.86207","0.00017","90","","109.644","0.002","90","","985.83","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0263","0.0254","","","0.0708","0.0716","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211040","7.3438","0.0004","10.3247","0.0004","11.6813","0.0005","76.285","0.003","80.914","0.004","87.551","0.004","849.64","0.07","298.6","0.2","298.6","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 K2 N6 O2 S6 -","- C6 H8 K2 N6 O2 S6 -","- C12 H16 K4 N12 O4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0401","0.0372","","","0.1028","0.1066","","","","","","1.054","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211041","7.3545","0.0003","10.5336","0.0004","11.7338","0.0005","76.921","0.004","80.641","0.004","88.73","0.004","873.54","0.06","298.6","0.8","298.6","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 N6 O2 Rb2 S6 -","- C6 H8 N6 O2 Rb2 S6 -","- C12 H16 N12 O4 Rb4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0366","0.0325","","","0.0885","0.0928","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211042","7.5673","0.0003","11.2806","0.0006","11.4428","0.0004","107.984","0.004","94.103","0.003","102.469","0.004","897.06","0.07","298.9","0.8","298.9","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C12 H21 N12 O6 Rb3 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0303","0.0295","","","0.0745","0.075","","","","","","1.222","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211043","5.1031","0.0003","7.9838","0.0006","10.9408","0.0006","96.431","0.005","103.27","0.005","104.265","0.005","413.7","0.05","300","0.14","300","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 Cs N3 S3 -","- C3 H2 Cs N3 S3 -","- C6 H4 Cs2 N6 S6 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0307","0.0301","","","0.0852","0.0857","","","","","","1.149","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211044","5.41409","0.00008","21.2829","0.0003","14.9761","0.0002","90","","92.3402","0.0013","90","","1724.22","0.04","300","0.14","300","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cs2 N6 S6 -","- C6 H4 Cs2 N6 S6 -","- C24 H16 Cs8 N24 S24 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0478","0.046","","","0.1207","0.1236","","","","","","1.223","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211045","15.435","0.007","6.762","0.003","8.883","0.004","90","","96.343","0.002","90","","921.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N4 O2 -","- C16 H32 N4 O2 -","- C32 H64 N8 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211046","6.092","0.003","7.325","0.004","12.473","0.006","73.828","0.003","83.507","0.003","87.597","0.002","531.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","1","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211047","14.183","0.003","6.159","0.001","9.889","0.002","90","","98.383","0.001","90","","854.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O2 -","- C16 H30 N2 O2 -","- C32 H60 N4 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211048","6.616","0.005","11.643","0.005","30.632","0.005","90","0.005","95.291","0.005","90","0.005","2350","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag N11 O8 -","- C16 H22 Ag N11 O8 -","- C64 H88 Ag4 N44 O32 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0449","0.0318","","","0.0761","0.0817","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211049","6.72","0.005","11.611","0.005","30.232","0.005","90","","95.504","0.005","90","","2348","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","N9-propyladenine-N1-oxide_AgBF4","","","- C16 H22 Ag B F4 N10 O4 -","- C16 H22 Ag B F4 N10 O4 -","- C64 H88 Ag4 B4 F16 N40 O16 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0816","0.0575","","","0.1554","0.1941","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211050","16.106","0.005","6.901","0.005","21.48","0.005","90","0.005","93.47","0.005","90","0.005","2383","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag F6 N10 O3 P -","- C16 H22 Ag F6 N10 O3 P -","- C64 H88 Ag4 F24 N40 O12 P4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.1013","0.0701","","","0.1751","0.2182","","","","","","1.094","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211051","20.15","0.005","6.903","0.005","20.342","0.005","90","0.005","116.516","0.005","90","0.005","2532","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Ag F3 N10 O7 S -","- C17 H24 Ag F3 N10 O7 S -","- C68 H96 Ag4 F12 N40 O28 S4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0949","0.0588","","","0.135","0.1551","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211052","12.7023","0.0017","9.2602","0.0012","13.3792","0.0017","90","","117.315","0.002","90","","1398.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Ag2 Cl2 N10 O13 -","- C16 H22 Ag2 Cl2 N10 O13 -","- C32 H44 Ag4 Cl4 N20 O26 -","2","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71073","MoKα","","0.0416","0.0399","","","0.1036","0.1056","","","","","","1.066","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211053","9.303","0.0003","5.169","0.0002","24.7981","0.0008","90","","98.872","0.002","90","","1178.2","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O8 Pb2 -","- C24 H18 N2 O8 Pb2 -","- C48 H36 N4 O16 Pb4 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0523","0.047","","","0.0899","0.0916","","","","","","1.323","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211054","16.581","0.006","7.331","0.003","14.377","0.006","90","","109.247","0.006","90","","1649.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O4 Pb -","- C20 H12 N2 O4 Pb -","- C80 H48 N8 O16 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0356","0.0316","","","0.1095","0.1187","","","","","","1.082","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211055","13.9323","0.0011","9.9261","0.0008","17.7413","0.0013","90","","112.95","0.002","90","","2259.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu F6 N3 O5 -","- C19 H17 Cu F6 N3 O5 -","- C76 H68 Cu4 F24 N12 O20 -","4","1","","Chanthapally, Anjana; Oh, Wei Ting; Vittal, Jagadese J.","[2 + 2] Cycloaddition reaction as a tool to monitor the formation of thermodynamically stable ladder coordination polymers","CrystEngComm","2013","15","45","9324","","10.1039/c3ce41176a","","","0.71073","MoKα","","0.0773","0.064","","","0.1519","0.1615","","","","","","1.045","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211056","8.017","0.0006","10.1567","0.0003","11.0657","0.0011","78.156","0.011","89.947","0.015","77.156","0.013","858.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I3 Mn O9 -","- Ag I3 Mn O9 -","- Ag4 I12 Mn4 O36 -","4","2","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.04","0.0344","","","0.0749","0.0765","","","","","","1.117","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211057","7.1101","0.0003","7.6749","0.0003","10.2429","0.0004","90.078","0.003","103.552","0.003","99.571","0.003","535.35","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I4 Mn O12 -","- Ag I4 Mn O12 -","- Ag2 I8 Mn2 O24 -","2","1","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0185","0.0159","","","0.0326","0.0333","","","","","","1.058","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211058","6.6378","0.0003","6.8724","0.0003","10.0243","0.0005","73.544","0.004","72.194","0.004","81.327","0.004","416.51","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","1","0.5","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0248","0.0196","","","0.0395","0.0425","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211059","14.7676","0.0018","19.224","0.0014","19.7451","0.0016","65.774","0.002","87.413","0.003","67.535","0.002","4682.3","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H83 Cd3 N3 O25 -","- C66 H54 Cd3 O22 -","- C132 H108 Cd6 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0624","0.0528","","","0.1665","0.1671","","","","","","1.06","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211060","16.1796","0.0015","19.1505","0.0017","19.5848","0.0012","112.451","0.002","93.548","0.003","104.215","0.002","5353.9","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H96 Mn3 N5 O26.5 -","- C72 H68 Mn3 N2 O22 -","- C144 H136 Mn6 N4 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1545","0.156","","","","","","1.096","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211061","15.26","0.002","17.273","0.003","20.297","0.003","99.832","0.002","104.423","0.003","115.202","0.002","4448.1","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C155 H167 Co7 N7 O51 -","- C152 H152 Co7 N6 O46 -","- C152 H152 Co7 N6 O46 -","1","0.5","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0682","0.0589","","","0.1568","0.1594","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211062","14.692","0.002","18.436","0.003","19.8419","0.0016","115.514","0.002","96.834","0.003","108.036","0.002","4408","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H94 N4 O28 Zn3 -","- C72 H68 N2 O23 Zn3 -","- C144 H136 N4 O46 Zn6 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0584","0.0546","","","0.1376","0.1383","","","","","","1.075","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211063","13.2907","0.001","5.1776","0.0004","25.343","0.002","90","","110.038","0.006","90","","1638.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C72 H68 N20 O12 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0716","0.0482","","","0.1192","0.14","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211064","4.7841","0.0002","9.317","0.0003","18.9162","0.0003","90","","92.498","0.002","90","","842.36","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C36 H34 N10 O6 -","2","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0652","0.0537","","","0.1438","0.1656","","","","","","1.062","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211065","26.8924","0.0007","5.1332","0.0001","13.0371","0.0004","90","","100.854","0.003","90","","1767.5","0.08","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","phenazopyridine","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0474","0.0379","","","0.0907","0.1062","","","","","","1.061","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7211066","14.327","0.002","17.039","0.003","6.49","0.0011","90","","90","","90","","1584.3","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H20 N O4 P -","- C15 H20 N O4 P -","- C60 H80 N4 O16 P4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0858","0.0797","","","0.1674","0.1706","","","","","","1.056","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211067","9.8501","0.0012","11.0661","0.0018","17.707","0.002","92.032","0.011","92.94","0.01","111.728","0.013","1787.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N2 O3 P S -","- C16 H19 N2 O3 P S -","- C64 H76 N8 O12 P4 S4 -","4","2","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0855","0.0613","","","0.1539","0.1693","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211068","12.06","0.002","10.7171","0.001","13.9639","0.0013","90","","90.435","0.011","90","","1804.8","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 Ni O6 P2 S2 -","- C32 H36 N4 Ni O6 P2 S2 -","- C64 H72 N8 Ni2 O12 P4 S4 -","2","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0507","0.0397","","","0.0976","0.1049","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211069","8.306","0.0017","9.0369","0.0018","14.377","0.003","90","","90","","90","","1079.1","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au Eu2 Si3 -","- Au0.996 Eu2 Si3.004 -","- Au7.968 Eu16 Si24.032 -","8","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0346","0.032","","","0.0709","0.074","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211070","8.2003","0.0016","14.187","0.003","16.869","0.003","90","","90","","90","","1962.5","0.7","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Au0.98 Si3.02 Yb2 -","- Au0.982 Si3.018 Yb2 -","- Au15.712 Si48.288 Yb32 -","16","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0793","0.0433","","","0.088","0.1017","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211071","14.791","0.003","17.227","0.003","25.476","0.005","90","","101.96","0.03","90","","6350","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H82 Cl4 Cu N8 O28 -","- C48 H82 Cl4 Cu N8 O28 -","- C192 H328 Cl16 Cu4 N32 O112 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.0987","0.0817","","","0.21","0.2239","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211072","14.231","0.003","16.882","0.003","26.121","0.005","90","","98.73","0.03","90","","6203","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 Fe N10 O18 S2 -","- C50 H78 Cl2 Fe N10 O18 S2 -","- C200 H312 Cl8 Fe4 N40 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.1","0.0825","","","0.2426","0.2592","","","","","","1.036","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211073","14.138","0.003","16.749","0.003","26.051","0.005","90","","99.11","0.03","90","","6091","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 N10 Ni O18 S2 -","- C50 H78 Cl2 N10 Ni O18 S2 -","- C200 H312 Cl8 N40 Ni4 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1017","0.0695","","","0.1849","0.212","","","","","","1.053","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211074","17.576","0.004","14.207","0.003","25.869","0.005","90","","95.43","0.03","90","","6431","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Cl4 N8 Ni O30 -","- C48 H84 Cl4 N8 Ni O30 -","- C192 H336 Cl16 N32 Ni4 O120 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1746","0.097","","","0.2335","0.2742","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211075","17.7217","0.0005","14.2395","0.0005","25.8471","0.0007","90","","95.929","0.001","90","","6487.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Cl4 N8 O30 Zn -","- C48 H84 Cl4 N8 O30 Zn -","- C192 H336 Cl16 N32 O120 Zn4 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.1005","0.0851","","","0.1467","0.1534","","","","","","1.195","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211076","9.5947","0.0003","10.3589","0.0003","14.8323","0.0004","86.675","0.001","88.007","0.001","85.2","0.001","1465.88","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N6 O4 S2 Zn -","- C26 H36 N6 O4 S2 Zn -","- C52 H72 N12 O8 S4 Zn2 -","2","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.0328","0.0311","","","0.0862","0.0938","","","","","","1.121","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211077","12.6015","0.0003","23.5649","0.0004","23.6458","0.0005","90","","90","","90","","7021.7","0.3","123.01","0.15","123.01","0.15","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H94 Cl2 Fe N10 O20 S2 -","- C58 H94 Cl2 Fe N10 O20 S2 -","- C232 H376 Cl8 Fe4 N40 O80 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","1.5418","CuKα","","0.0735","0.0503","","","0.1315","0.1434","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211078","16.366","0.002","16.366","0.002","10.158","0.002","90","","90","","90","","2720.8","0.7","123","2","123","2","","","","","","","","6","P 4","P 4","75","","","","- C50 H72 Cu N10 O8 S2 -","- C50 H72 Cu N10 O8 S2 -","- C100 H144 Cu2 N20 O16 S4 -","2","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.2808","0.205","","","0.4817","0.5275","","","","","","1.55","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211079","9.344","0.002","18.507","0.006","14.312","0.003","90","","94.404","0.02","90","","2467.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Dy O10 -","- C28 H17 Dy O10 -","- C112 H68 Dy4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1954","0.0905","","","0.1753","0.2502","","","","","","0.93","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211080","9.3363","0.0004","18.4457","0.001","14.3315","0.0007","90","","94.174","0.005","90","","2461.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 O10 Tb -","- C28 H17 O10 Tb -","- C112 H68 O40 Tb4 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1017","0.0654","","","0.1468","0.1772","","","","","","1.036","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211081","9.3657","0.0005","18.4465","0.001","14.386","0.0011","90","","94.004","0.006","90","","2479.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Gd O10 -","- C28 H17 Gd O10 -","- C112 H68 Gd4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1365","0.0706","","","0.1243","0.1583","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211082","9.3135","0.0004","18.5484","0.0011","14.2816","0.0007","90","","94.483","0.004","90","","2459.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Ho O10 -","- C28 H17 Ho O10 -","- C112 H68 Ho4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0924","0.0487","","","0.0696","0.0859","","","","","","1","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211083","9.2869","0.0003","18.5404","0.0009","14.2415","0.0006","90","","94.635","0.003","90","","2444.12","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Er O10 -","- C28 H17 Er O10 -","- C112 H68 Er4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0701","0.0427","","","0.0572","0.0668","","","","","","1.003","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211084","9.3601","0.0007","18.417","0.0015","14.3938","0.001","90","","93.847","0.007","90","","2475.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Eu O10 -","- C28 H17 Eu O10 -","- C112 H68 Eu4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0665","0.0396","","","0.0683","0.0789","","","","","","1.023","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211085","9.7896","0.0008","11.5519","0.0008","12.6529","0.0019","74.677","0.009","72.626","0.01","72.086","0.007","1275.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0809","0.0554","","","0.0777","0.0898","","","","","","1.04","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211086","9.8077","0.0019","11.548","0.002","12.6506","0.0016","74.508","0.013","72.369","0.014","71.967","0.017","1274.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 O12 Tb -","- C28 H21 O12 Tb -","- C56 H42 O24 Tb2 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.071","0.0504","","","0.0898","0.102","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211087","9.7629","0.0011","11.5128","0.0007","12.6274","0.001","74.605","0.006","72.647","0.009","72.2","0.008","1265.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Gd O12 -","- C28 H21 Gd O12 -","- C56 H42 Gd2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0693","0.049","","","0.0733","0.0817","","","","","","1.028","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211088","9.7886","0.0007","11.5573","0.0008","12.5972","0.0012","74.649","0.007","72.626","0.007","71.873","0.006","1269.19","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Ho O12 -","- C28 H21 Ho O12 -","- C56 H42 Ho2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0443","0.036","","","0.0628","0.0693","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211089","9.8061","0.0009","11.5898","0.0008","12.6074","0.001","74.575","0.006","72.548","0.008","71.682","0.007","1274.08","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.077","0.0547","","","0.0878","0.1","","","","","","1.048","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211090","12.201","0.006","23.969","0.012","18.375","0.006","90","","123.08","0.02","90","","4503","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Co4 N6 O18 P4 -","- C90 H86 Co4 N6 O18 P4 -","- C180 H172 Co8 N12 O36 P8 -","2","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0748","0.0505","","","0.1098","0.1224","","","","","","1.016","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211091","16.7089","0.0013","33.4493","0.0017","18.7258","0.0011","90","","97.315","0.003","90","","10380.7","1.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H83 Mn5 N8 O22 P2 -","- C96 H83 Mn5 N8 O22 P2 -","- C384 H332 Mn20 N32 O88 P8 -","4","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0862","0.0614","","","0.1429","0.1502","","","","","","0.994","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211092","32.705","0.003","23.209","0.002","29.898","0.003","90","","100.549","0.001","90","","22311","4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H93 Mn5 N12 O24 P2 -","- C105 H93 Mn5 N12 O24 P2 -","- C840 H744 Mn40 N96 O192 P16 -","8","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0969","0.0633","","","0.1387","0.1465","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211093","21.3091","0.0013","27.1193","0.0014","32.2464","0.0012","90","","90","","90","","18634.8","1.6","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C167 H151 Mn10 N15 O44 P8 -","- C167 H151 Mn10 N15 O44 P8 -","- C668 H604 Mn40 N60 O176 P32 -","4","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0519","0.051","","","0.1238","0.1241","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211094","23.908","0.004","10.0503","0.0018","17.068","0.003","90","","90","","90","","4101.1","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H38 N10 O18 Zn3 -","- C32 H38 N10 O18 Zn3 -","- C128 H152 N40 O72 Zn12 -","4","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0807","0.0476","","","0.1163","0.1335","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211095","9.718","0.002","9.962","0.003","13.971","0.003","90","","128.918","0.011","90","","1052.3","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H25 N5 O6 Zn -","- C19 H25 N5 O6 Zn -","- C38 H50 N10 O12 Zn2 -","2","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0557","0.0439","","","0.1048","0.1122","","","","","","1.042","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211096","11.044","0.002","11.997","0.002","17.106","0.003","87.79","0.03","74.9","0.03","79.42","0.03","2150.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 N10 O5 Zn2 -","- C49 H37 N10 O5 Zn2 -","- C98 H74 N20 O10 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0817","0.0475","","","0.1224","0.1459","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211097","10.9728","0.0019","12.61","0.002","16.807","0.003","77.404","0.002","79.051","0.002","89.147","0.002","2227.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 N10 O6 Zn2 -","- C51 H36 N10 O6 Zn2 -","- C102 H72 N20 O12 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0574","0.0396","","","0.105","0.1125","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211098","11.358","0.004","15.04","0.006","15.209","0.006","72.965","0.005","84.833","0.006","81.685","0.005","2454.8","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 N10 O3.5 Zn2 -","- C49 H38 N10 O3.5 Zn2 -","- C98 H76 N20 O7 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.1154","0.081","","","0.2475","0.2774","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211099","12.411","0.003","14.631","0.003","16.969","0.003","66.11","0.03","78.09","0.03","72.06","0.03","2668.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 N10 O8 Zn2 -","- C56 H56 N10 O8 Zn2 -","- C112 H112 N20 O16 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0813","0.0489","","","0.1269","0.1458","","","","","","1.011","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211100","6.897","0.003","45.92","0.02","8.08","0.004","90","","94.826","0.007","90","","2550","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O -","- C34 H26 N2 O -","- C136 H104 N8 O4 -","4","1","","Zhang, Yujian; Sun, Jingwei; Lv, Xiaojing; Ouyang, Mi; Cao, Feng; Pan, Guoxiang; Pan, Luping; Fan, Guangbo; Yu, Weiwei; He, Chao; Zheng, Sishi; Zhang, Feng; Wang, Wei; Zhang, Cheng","Heating and mechanical force-induced “turn on” fluorescence of cyanostilbene derivative with H-type stacking","CrystEngComm","2013","15","44","8998","","10.1039/c3ce41221k","","","0.71073","MoKα","","0.1298","0.0865","","","0.2139","0.231","","","","","","1.065","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211101","7.9698","0.0017","9.389","0.002","15.464","0.003","90","","92.31","0.005","90","","1156.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0805","0.0548","","","0.1305","0.1436","","","","","","1.08","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211102","5.1665","0.001","18.453","0.004","18.155","0.003","90","","90","","90","","1730.9","0.6","273","2","273","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","0.5","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0767","0.0667","","","0.1843","0.1935","","","","","","1.034","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211103","11.093","0.004","12.53","0.004","12.33","0.004","90","","93.515","0.006","90","","1710.6","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0307","0.0272","","","0.0698","0.072","","","","","","1.079","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211104","14.141","0.003","15.663","0.003","16.402","0.003","90","","108.459","0.006","90","","3446","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H34 Ag3 F9 N8 O14 S3 -","- C59 H34 Ag3 F9 N8 O14 S3 -","- C118 H68 Ag6 F18 N16 O28 S6 -","2","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71075","MoKα","","0.0979","0.0828","","","0.2318","0.255","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211105","8.671","0.006","12.162","0.008","13.095","0.008","110.238","0.012","95.823","0.013","93.793","0.013","1281.4","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N9 O15 -","- C20 H19 N9 O15 -","- C40 H38 N18 O30 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Das, Amrita; Singh, N. Jiten; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata","A successive layer-by-layer assembly of supramolecular frameworks driven by a novel type of face-to-face π±-π+ interactions","CrystEngComm","2013","15","39","7879","","10.1039/c3ce41230j","","","0.71073","MoKα","","0.0513","0.0377","","","0.0981","0.11","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211106","25.791","0.002","25.791","0.002","11.1284","0.0013","90","","90","","120","","6410.6","1","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","bis-Thiocyanato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)cadmium(II), solvate with 0.66 Dichloromethane","","- C22.667 H29.333 Cd Cl1.333 N10 S2 -","- C22.6667 H28 Cd Cl1.3336 N10 S2 -","- C204 H252 Cd9 Cl12.0024 N90 S18 -","9","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0404","0.0353","","","0.0786","0.0807","","","","","","1.136","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211107","14.4685","0.0012","22.858","0.003","23.048","0.003","90","","90","","90","","7622.5","1.5","213","2","213","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 6 Chloroform","","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C192 H248 Cd8 Cl72 F24 N72 S8 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0687","0.0577","","","0.1557","0.1624","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211108","19.522","0.0008","19.522","0.0008","33.791","0.003","90","","90","","90","","12878","1.4","213","2","213","2","","","","","","","","8","P 42/m","-P 4c","84","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 2 Dichloromethane","","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C352 H480 Cd16 Cl32 F48 N144 S16 Si8 -","8","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.065","0.0559","","","0.1487","0.1544","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211109","13.6869","0.001","15.5383","0.0009","15.877","0.0012","90","","90.047","0.008","90","","3376.6","0.4","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Hexahydrate","","- C20 H40 Cd F6 N8 O6 Si -","- C20 H28 Cd F6 N8 O6 Si -","- C80 H112 Cd4 F24 N32 O24 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0339","0.0312","","","0.0788","0.0795","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211110","15.893","0.0012","11.8892","0.0011","16.7929","0.0012","90","","91.161","0.003","90","","3172.5","0.4","213","2","213","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Solvate with 1.5 Dichloromethane","","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C86 H124 Cd4 Cl12 F24 N32 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0305","0.0291","","","0.0731","0.0738","","","","","","1.098","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211111","15.219","0.003","75.54","0.015","14.401","0.003","90","","90","","90","","16556","6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H56 Cu3 N14 O18 -","- C48 H42 Cu3 N12 O16 -","- C384 H336 Cu24 N96 O128 -","8","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0934","0.0815","","","0.2502","0.2618","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211112","19.4251","0.0009","36.589","0.002","37.762","0.002","90","","114.202","0.004","90","","24480","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H188 Cu6 N30 O38 -","- C104 H100 Cu6 N16 O20 -","- C416 H400 Cu24 N64 O80 -","4","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0795","0.0573","","","0.1634","0.1746","","","","","","0.971","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211113","5.36","0.0003","8.5693","0.0007","13.4999","0.0011","98.83","0.004","93.8","0.005","95.524","0.005","607.8","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","lithium hemibenzoate","","- C14 H11 Li O4 -","- C14 H11 Li O4 -","- C28 H22 Li2 O8 -","2","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0948","0.0538","","","0.1173","0.1327","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211114","5.8077","0.0001","14.4331","0.0004","22.0139","0.0006","90","","97.047","0.002","90","","1831.33","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium benzoate.2benzoic acid","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0526","0.0405","","","0.0957","0.1023","","","","","","1.043","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211115","29.586","0.002","3.7964","0.0003","11.1214","0.0008","90","","97.096","0.009","90","","1239.59","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","potassium hemibenzoate","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0545","0.0432","","","0.1054","0.1114","","","","","","1.051","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211116","29.347","0.004","3.8697","0.0005","11.3973","0.0016","90","","95.478","0.007","90","","1288.4","0.3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rubidium hemibenzoate 6-coordinate polymorph 100 K","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71075","MoKα","","0.0253","0.025","","","0.0685","0.0687","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211117","29.0315","0.0009","6.963","0.0002","6.6156","0.0002","90","","99.297","0.002","90","","1319.75","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium hemibenzoate 8 coordinate polymorph","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0302","0.0278","","","0.0704","0.0723","","","","","","1.115","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211118","28.9095","0.0008","7.0509","0.0002","6.7779","0.0002","90","","99.97","0.002","90","","1360.73","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cesium hemibenzoate monoclinic polymorph","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0196","0.0189","","","0.0457","0.0459","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211119","28.3393","0.0019","7.0215","0.0003","6.9066","0.0004","90","","90","","90","","1374.31","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","cesium hemibenzoate orthorhombic phase","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0426","0.0312","","","0.0503","0.054","","","","","","1.176","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211120","15.125","0.003","6.941","0.001","11.257","0.002","90","","94.76","0.03","90","","1177.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C0 H0 F1.5 N0 Na1.5 O5 U -","- F1.5 Na1.5 O5 U -","- F12 Na12 O40 U8 -","8","1","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0217","0.0198","","","0.047","0.0479","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211121","12.1485","0.0012","11.8621","0.0013","12.3655","0.0012","90","","90","","90","","1782","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs F5 O4 U2 -","- Cs F5 O4 U2 -","- Cs8 F40 O32 U16 -","8","0.5","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0306","0.0273","","","0.0701","0.0719","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211122","20.4","0.009","9.284","0.009","7.13","0.007","90","","108.7","0.04","90","","1279.1","1.9","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.109","0.063","","","0.1314","0.1448","","","","","","1.036","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211123","19.2638","0.0011","7.1952","0.0005","9.2847","0.0007","90","","90","","90","","1286.92","0.15","296","","296","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.0865","0.0568","","","0.1106","0.1213","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211124","20.4094","0.0013","9.1206","0.0005","7.1342","0.0004","90","","109.377","0.005","90","","1252.78","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0925","0.0732","","","0.1834","0.1964","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211125","19.2841","0.0015","7.1837","0.0007","9.2835","0.0009","90","","90","","90","","1286.1","0.2","566","2","566","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","1.54184","CuKα","","0.0642","0.0485","","","0.1108","0.1367","","","","","","1.159","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211126","19.4519","0.0009","7.3237","0.0004","9.326","0.0005","90","","90","","90","","1328.58","0.12","150","2","150.15","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.35 Mn0.65 N O5 -","- C13 H9 Co0.35 Mn0.65 N O5 -","- C52 H36 Co1.4 Mn2.6 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0548","0.0405","","","0.0948","0.103","","","","","","1.055","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211127","7.5611","0.0006","14.9501","0.0011","10.3894","0.0006","90","","123.74","0.004","90","","976.6","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrochloride salt","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0281","0.0257","","","0.0709","0.0729","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211128","7.6316","0.0006","15.2521","0.0011","10.6249","0.0006","90","","124.184","0.004","90","","1023.06","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrobromide salt","","","- C9 H12 Br N O2 -","- C9 H12 Br N O2 -","- C36 H48 Br4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0266","0.021","","","0.0489","0.0508","","","","","","1.038","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211129","9.0833","0.0006","5.1811","0.0004","16.3294","0.0011","90","","91.011","0.001","90","","768.37","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Salicylamide hydrochloride salt","","","- C7 H8 Cl N O2 -","- C7 H8 Cl N O2 -","- C28 H32 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0331","0.0275","","","0.0752","0.0794","","","","","","1.095","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211130","38.522","0.005","38.522","0.005","3.9027","0.0005","90","","90","","120","","5015.5","1.1","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","Ethenzamide HNO3 salt","","","- C54 H57 N15 O37 -","- C54 H57 N15 O37 -","- C162 H171 N45 O111 -","3","0.333333","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0852","0.065","","","0.2001","0.2149","","","","","","1.517","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211131","6.7925","0.0017","14.67","0.004","11.674","0.003","90","","95.785","0.003","90","","1157.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide HClO4 salt","","","- C9 H12 Cl N O6 -","- C9 H12 Cl N O6 -","- C36 H48 Cl4 N4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0388","0.033","","","0.0834","0.0869","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211132","10.2073","0.0007","5.0535","0.0003","16.909","0.0011","90","","104.791","0.001","90","","843.31","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SalicylamidE HNO3 salt","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.037","0.0322","","","0.0855","0.0893","","","","","","1.077","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211133","18.6631","0.0017","5.1858","0.0005","20.166","0.0018","90","","106.852","0.001","90","","1867.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylamide HClO4 salt","","","- C7 H8 Cl N O6 -","- C7 H8 Cl N O6 -","- C56 H64 Cl8 N8 O48 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0477","0.0338","","","0.0819","0.0882","","","","","","1.058","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211134","5.8473","0.0004","23.1474","0.0015","7.2982","0.0005","90","","95.948","0.001","90","","982.49","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrobromide monohydrate salt","","","- C8 H12 Br N O3 -","- C8 H12 Br N O3 -","- C32 H48 Br4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0349","0.0271","","","0.0594","0.0619","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211135","26.813","0.005","5.6138","0.0011","13.838","0.003","90","","90.014","0.002","90","","2082.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Phenacetin hemi hydrochloride","","","- C20 H27 Cl N2 O4 -","- C20 H27 Cl N2 O4 -","- C80 H108 Cl4 N8 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0346","0.0327","","","0.0991","0.1077","","","","","","1.105","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211136","6.7923","0.0004","13.4759","0.0008","14.1913","0.0008","76.127","0.001","77.312","0.001","87.962","0.001","1230.08","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrochloride salt trihydrate","","","- C20 H33 Cl2 N2 O7 -","- C20 H33 Cl2 N2 O7 -","- C40 H66 Cl4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.063","0.0508","","","0.1715","0.1835","","","","","","1.315","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211137","13.3","0.0007","12.1554","0.0007","28.501","0.0014","90","","111.742","0.002","90","","4279.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenacetin hemi hydrobromide","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C160 H216 Br8 N16 O32 -","8","2","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0423","0.0285","","","0.0665","0.0717","","","","","","1.008","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211138","6.8379","0.0008","13.72","0.0016","14.2131","0.0017","76.208","0.002","77.572","0.002","87.122","0.002","1264.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrobromide trihydrate","","","- C20 H33 Br2 N2 O7 -","- C20 H33 Br2 N2 O7 -","- C40 H66 Br4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0417","0.0331","","","0.0921","0.0969","","","","","","1.042","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211139","8.945","0.003","10.17","0.003","11.149","0.003","111.26","0.03","100.11","0.03","97.47","0.03","909.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1456","0.0786","","","0.1391","0.1611","","","","","","1.111","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211140","8.747","0.003","10.231","0.003","10.915","0.003","110.96","0.03","98.49","0.03","98","0.03","882.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0687","0.0461","","","0.1253","0.1343","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211141","7.629","0.002","33.472","0.009","10.073","0.003","90","","98.39","0.03","90","","2544.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1186","0.0657","","","0.1374","0.1598","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211142","7.449","0.002","33.32","0.008","10.028","0.003","90","","97.88","0.03","90","","2465.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0614","0.0464","","","0.1026","0.109","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211143","3.78","0.002","41.196","0.01","11.65","0.004","90","","92.69","0.03","90","","1812.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0453","0.0366","","","0.075","0.0784","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211144","3.706","0.002","41.15","0.01","11.564","0.004","90","","92.44","0.03","90","","1761.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0389","0.0339","","","0.0716","0.0736","","","","","","1.053","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211145","4.278","0.002","12.561","0.004","17.37","0.006","94.86","0.03","92.76","0.03","99.14","0.03","916.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1656","0.0689","","","0.1043","0.1281","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211146","4.265","0.002","12.485","0.004","17.03","0.006","94.22","0.03","91.27","0.03","100.04","0.03","889.9","0.6","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0727","0.0394","","","0.0739","0.0787","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211147","7.479","0.003","8.702","0.003","14.642","0.004","104.49","0.03","92.07","0.03","105.2","0.03","885.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0518","0.0439","","","0.1088","0.1132","","","","","","1.089","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211148","15.8046","0.001","18.7688","0.001","20.6949","0.0012","90","","102.839","0.003","90","","5985.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0887","0.0632","","","0.1422","0.1593","","","","","","1.097","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211149","15.836","0.006","22.682","0.008","18.49","0.007","90","","105.99","0.006","90","","6385","4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96.006 H114 N14 O48 P6 Zn9 -","- C192.012 H228 N28 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0658","0.0609","","","0.1685","0.173","","","","","","1.121","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211150","15.827","0.006","22.632","0.008","18.636","0.006","90","","106.024","0.006","90","","6416","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96 H114 N13.994 O48 P6 Zn9 -","- C192 H228 N27.988 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.1048","0.0859","","","0.1974","0.2085","","","","","","1.204","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211151","15.789","0.006","18.802","0.007","20.84","0.008","90","","103.286","0.007","90","","6021","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0595","0.0451","","","0.1227","0.1338","","","","","","1.039","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211152","18.768","0.009","28.89","0.014","9.479","0.005","90","","90","","90","","5140","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 N3 O7.5 S Zn -","- C24 H19 N3 O6 S Zn -","- C192 H152 N24 O48 S8 Zn8 -","8","1","","Wei, Na; Zhang, Ya-Ru; Han, Zheng-Bo","Thiadiazole-functional porous metal‒organic framework as luminescent probe for Cd2+","CrystEngComm","2013","15","44","8883","","10.1039/c3ce41308j","","","0.71073","MoKα","","0.0933","0.09","","","0.2343","0.2358","","","","","","1.205","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211153","12.7243","0.0013","14.7895","0.0015","19.099","0.0019","106.503","0.001","95.497","0.001","99.092","0.001","3365","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H33 Ag7 Cl N20 O40 P W11 -","- C30 H29 Ag7 Cl N20 O40 P W11 -","- C60 H58 Ag14 Cl2 N40 O80 P2 W22 -","2","1","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71073","MoKα","","0.0761","0.0553","","","0.1492","0.1601","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211154","20.222","0.005","20.222","0.005","14.199","0.005","90","0.005","90","0.005","90","0.005","5806","3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H22 Ag3 N10 O42 P W12 -","- C24 H18 Ag3 N10 O42 P W12 -","- C96 H72 Ag12 N40 O168 P4 W48 -","4","0.5","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71069","MoKα","","0.0845","0.0531","","","0.1004","0.1125","","","","","","1.178","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211155","5.5406","0.0006","11.413","0.0013","12.5086","0.0015","64.504","0.002","88.982","0.002","81.527","0.002","705.23","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0632","0.0424","","","0.0916","0.1006","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211156","10.026","0.001","10.3105","0.001","10.8084","0.0011","67.618","0.001","74.945","0.001","64.458","0.001","926.02","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H10 Cd Cl2 N3 O5 S -","- C17 H10 Cd Cl2 N3 O5 S -","- C34 H20 Cd2 Cl4 N6 O10 S2 -","2","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0206","0.0196","","","0.0499","0.0504","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211157","16.236","0.002","10.7795","0.0014","22.336","0.003","90","","110.571","0.002","90","","3659.9","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl2 N3 O4 S Zn -","- C17 H10 Cl2 N3 O4 S Zn -","- C136 H80 Cl16 N24 O32 S8 Zn8 -","8","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.024","0.0216","","","0.0565","0.0578","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211158","10.642","0.0011","16.0895","0.0016","18.2984","0.0019","64.614","0.002","89.078","0.002","79.539","0.002","2776.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H78 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0762","0.0454","","","0.0983","0.112","","","","","","1","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211159","18.7028","0.0047","18.7028","0.0047","18.2028","0.006","90","","90","","90","","6367","3","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","MIL125-NH2","","","- C24 H39 N3 O29 Ti4 -","- C30 H15 N5 O50.875 Ti4 -","- C60 H30 N10 O101.75 Ti8 -","2","0.0625","","Smalley, Adam P.; Reid, David G.; Tan, Jin Chong; Lloyd, Gareth O.","Alternative synthetic methodology for amide formation in the post-synthetic modification of Ti-MIL125-NH2","CrystEngComm","2013","15","45","9368","","10.1039/c3ce41332b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.06929","4.663","","","","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211160","9.6931","0.0006","11.3006","0.0008","14.3505","0.001","73.455","0.003","81.523","0.003","81.699","0.004","1481.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 La N3 O11.5 -","- C25.5 H20.5 La N3 O10.8 -","- C51 H41 La2 N6 O21.6 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0699","0.0596","","","0.166","0.1777","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211161","9.6675","0.0008","11.2358","0.001","14.3181","0.0011","73.513","0.004","81.448","0.004","82.179","0.005","1467.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Ce N3 O11.5 -","- C25.5 H20.5 Ce N3 O10.7 -","- C51 H41 Ce2 N6 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.116","0.0833","","","0.2081","0.2348","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211162","9.6508","0.0007","11.3218","0.0009","14.3139","0.0011","73.017","0.004","81.282","0.004","81.99","0.004","1471","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Pr -","- C25.5 H20.5 N3 O10.7 Pr -","- C51 H41 N6 O21.4 Pr2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0907","0.0719","","","0.1974","0.2177","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211163","9.6255","0.0003","11.3582","0.0004","14.3241","0.0005","72.709","0.002","81.124","0.002","81.892","0.002","1469.81","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 Nd O11.5 -","- C25.5 H20.5 N3 Nd O10.7 -","- C51 H41 N6 Nd2 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0671","0.0575","","","0.1591","0.1713","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211164","9.5818","0.0005","11.4188","0.0007","14.313","0.0008","72.293","0.003","80.953","0.003","81.968","0.003","1466.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Sm -","- C25.5 H20.5 N3 O10.9 Sm -","- C51 H41 N6 O21.8 Sm2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0843","0.0659","","","0.1803","0.1987","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211165","9.5632","0.0003","11.4212","0.0004","14.3028","0.0005","72.138","0.002","80.833","0.002","81.905","0.002","1460.86","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Eu N3 O11.5 -","- C25.5 H20.5 Eu N3 O10.2 -","- C51 H41 Eu2 N6 O20.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0687","0.0539","","","0.1402","0.154","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211166","9.5532","0.0006","11.4479","0.0007","14.3067","0.0008","71.998","0.003","80.74","0.003","81.872","0.003","1461.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Gd N3 O11.5 -","- C25.5 H20.5 Gd N3 O10.9 -","- C51 H41 Gd2 N6 O21.8 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0744","0.0619","","","0.1527","0.1649","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211167","9.471","0.003","11.43","0.004","14.264","0.004","71.787","0.012","80.912","0.008","82.319","0.011","1442.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Tb -","- C25.5 H20.5 N3 O10.9 Tb -","- C51 H41 N6 O21.8 Tb2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.1648","0.0967","","","0.2182","0.2556","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211168","10.513","0.002","10.585","0.002","13.976","0.003","75.452","0.017","74.622","0.018","89.947","0.017","1447.9","0.5","215","2","215","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Cd Co2 N O9 -","- C27 H23 Cd Co2 N O9 -","- C54 H46 Cd2 Co4 N2 O18 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.102","0.0598","","","0.1281","0.1401","","","","","","0.896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211169","10.2788","0.001","10.2788","0.001","26.373","0.003","90","","90","","90","","2786.4","0.5","213","2","213","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 Co2 O12 Zn -","- C24 H24 Co2 O12 Zn -","- C96 H96 Co8 O48 Zn4 -","4","0.25","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0408","0.029","","","0.0736","0.0763","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211170","10.3301","0.001","10.2174","0.0011","26.267","0.003","90","","90","","93.932","0.008","2765.9","0.5","180","2","180","2","","","","","","","","5","I 1 1 2/b","-I 2b","15","","","","- C24 H17.5 Co2 O8.75 Zn -","- C24 H16 Co2 O8.75 Zn -","- C96 H64 Co8 O35 Zn4 -","4","0.5","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0947","0.0687","","","0.1961","0.2108","","","","","","1.005","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7211171","10.5609","0.0006","10.5609","0.0006","22.641","0.0016","90","","90","","90","","2525.2","0.3","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C25.5 H22 Co2 Cu O9.5 -","- C25.5 H22 Co2 Cu O9.5 -","- C102 H88 Co8 Cu4 O38 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.0668","0.0454","","","0.1081","0.1153","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211172","10.5985","0.0012","10.5985","0.0012","20.4","0.003","90","","90","","90","","2291.5","0.5","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C24.5 H18 Co2 Cu O8.5 -","- C24.5 H18 Co2 Cu O8.5 -","- C98 H72 Co8 Cu4 O34 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.1071","0.0765","","","0.224","0.2422","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211173","6.8096","0.0012","12.27","0.003","14.134","0.003","84.323","0.016","78.295","0.015","79.696","0.016","1135.3","0.4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C44 H32 Co2 F12 N4 O8 P2 Zn2 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0724","0.044","","","0.099","0.1055","","","","","","0.873","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211174","16.6224","0.0013","11.4498","0.0008","23.447","0.003","90","","90","","90","","4462.5","0.7","213","2","213","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C176 H128 Co8 F48 N16 O32 P8 Zn8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0662","0.042","","","0.0802","0.0853","","","","","","0.83","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211175","16.541","0.0016","11.1592","0.0007","23.5962","0.0018","90","","90","","90","","4355.5","0.6","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co Cu F6 N2 O4 P -","- C22 H16 Co Cu F6 N2 O4 P -","- C176 H128 Co8 Cu8 F48 N16 O32 P8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0748","0.0523","","","0.1232","0.1327","","","","","","0.953","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211176","7.566","0.0003","11.56","0.0004","12.262","0.0004","74.727","0.002","76.51","0.002","78.804","0.002","995.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O8 S -","- C20 H20 N2 O8 S -","- C40 H40 N4 O16 S2 -","2","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","0.71073","MoKα","","0.0483","0.034","","","0.0765","0.083","","","","","","1.02","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211177","10.4318","0.0006","16.658","0.001","10.1656","0.0005","90","","90","","90","","1766.51","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 N2 O10 S -","- C16 H16 N2 O10 S -","- C64 H64 N8 O40 S4 -","4","0.5","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","","0.71073","MoKα","","0.0779","0.0361","","","0.0681","0.075","","","","","","0.803","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211178","15.876","0.003","23.562","0.005","12.514","0.003","90","","117.77","0.03","90","","4142","1.9","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ca N2 O11 S -","- C16 H16 Ca N2 O11 S -","- C128 H128 Ca8 N16 O88 S8 -","8","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","1.54184","CuKα","","0.067","0.05","","","0.1346","0.1436","","","","","","1.058","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211179","23.643","0.009","10.85","0.005","34.239","0.015","90","","100.091","0.011","90","","8647","6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H56 Mn3 N4 O19 -","- C72 H56 Mn3 N4 O19 -","- C288 H224 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1128","0.0872","","","0.2307","0.252","","","","","","1.014","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211180","29.96","0.007","20.191","0.005","16.386","0.004","90","","110.129","0.004","90","","9307","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Mn3 N4 O19 -","- C64 H50 Mn3 N4 O19 -","- C256 H200 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1427","0.0977","","","0.275","0.3136","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211181","47.138","0.012","75.02","0.02","10.521","0.003","90","","90","","90","","37205","17","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H54 Mn3 N4 O21 -","- C64 H54 Mn3 N4 O21 -","- C1024 H864 Mn48 N64 O336 -","16","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.124","0.0696","","","0.1448","0.1593","","","","","","1.066","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211182","15.3269","0.0012","25.4411","0.0018","31.096","0.002","73.244","0.002","80.178","0.002","82.093","0.002","11390","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H107 Mn6 N6 O43 -","- C131 H104 Mn6 N6 O43 -","- C262 H208 Mn12 N12 O86 -","2","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.187","0.0836","","","0.1836","0.1985","","","","","","1.004","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211183","32.393","0.003","10.8402","0.0012","20.303","0.002","90","","96.286","0.002","90","","7086.5","1.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C45 H32 B N6 O2 -","- C45 H32 B N6 O2 -","- C360 H256 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0977","0.052","","","0.1182","0.1382","","","","","","1.021","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211184","16.211","0.0011","9.4838","0.0006","20.4044","0.0014","90","","110.991","0.004","90","","2928.8","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C37 H25 B N6 O2 -","- C37 H25 B N6 O2 -","- C148 H100 B4 N24 O8 -","4","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0857","0.0887","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211185","8.9397","0.0005","12.8974","0.0008","13.0121","0.0007","105.828","0.003","109.874","0.003","99.661","0.003","1299.94","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C61.38 H38 B2 Cl2.76 N12 O4.62 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0697","0.0674","","","0.1732","0.1743","","","","","","1.195","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211186","9.845","0.0009","11.2012","0.001","12.2165","0.001","107.938","0.002","106.262","0.002","101.412","0.002","1169.37","0.18","147","2","147","2","","","","","","","","5","P -1","-P 1","2","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C60 H34 B2 N12 O4 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0507","0.0388","","","0.093","0.1007","","","","","","1.036","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211187","26.2251","0.0013","11.7733","0.0007","12.0258","0.0006","90","","92.248","0.003","90","","3710.2","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HO-BsubPc","(Hydroxo)(subphthalocyaninato)boron","","- C24 H13 B N6 O -","- C24 H13 B N6 O -","- C192 H104 B8 N48 O8 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.044","0.0387","","","0.0961","0.1003","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211188","23.4583","0.0004","11.7386","0.0002","19.4923","0.0005","90","","120.188","0.001","90","","4639.6","0.17","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-HOPhO-BsubPc","(2-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C240 H136 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0552","0.0387","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211189","19.6105","0.0009","18.635","0.0007","16.3206","0.0005","90","","93.94","0.002","90","","5950.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cd2 N6 O12 -","- C64 H56 Cd2 N6 O12 -","- C256 H224 Cd8 N24 O48 -","4","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0518","0.0431","","","0.1093","0.1311","","","","","","1","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211190","8.6267","0.0008","11.9716","0.0016","12.8657","0.0013","105.11","0.005","91.309","0.005","99.975","0.005","1260.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Co N2 O6 S -","- C26 H20 Co N2 O6 S -","- C52 H40 Co2 N4 O12 S2 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0967","0.0732","","","0.1931","0.242","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211191","7.94506","0.0001","9.93697","0.00012","45.0334","0.0005","90","","90","","90","","3555.38","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu3 N9 S6 -","- C30 H24 Cu3 N9 S6 -","- C120 H96 Cu12 N36 S24 -","4","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","1.5418","CuKα","","0.0473","0.0387","","","0.0857","0.0904","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211192","9.6275","0.0002","9.2206","0.0002","19.3389","0.0004","90","","91.532","0.002","90","","1716.13","0.06","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 Cu2 N8 S5 -","- C32 H30 Cu2 N8 S5 -","- C64 H60 Cu4 N16 S10 -","2","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.7107","MoKα","","0.0448","0.0344","","","0.0651","0.0691","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211193","9.19","0.004","20.588","0.009","24.602","0.011","90","","90","","90","","4655","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H60 Cu8 N24 O0 S16 -","- C76 H60 Cu8 N24 S16 -","- C152 H120 Cu16 N48 S32 -","2","0.25","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.71073","MoKα","","0.1654","0.0593","","","0.0912","0.1229","","","","","","1.005","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211194","7.6604","0.0006","11.9068","0.0009","13.5985","0.001","98.88","0.001","96.962","0.002","106.219","0.001","1158.91","0.15","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.04","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211195","7.578","0.0006","13.9976","0.0011","20.0546","0.0016","110.067","0.002","90.141","0.002","103.225","0.002","1937.5","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 F4 I N2 O2 -","- C44 H47 F4 I N2 O2 -","- C88 H94 F8 I2 N4 O4 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0614","0.0407","","","0.089","0.1002","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211196","4.7732","0.0006","9.5951","0.0013","23.78","0.003","88.044","0.002","89.076","0.002","76.708","0.002","1059.3","0.2","110","2","110","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 I N O -","- C23 H20 F4 I N O -","- C46 H40 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0469","0.0377","","","0.0844","0.0922","","","","","","1.119","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211197","6.1484","0.0004","12.8888","0.0009","14.8433","0.001","97.495","0.001","96.075","0.001","90.147","0.001","1159.51","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C50 H48 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0356","0.0316","","","0.0715","0.0735","","","","","","1.104","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211198","8.8395","0.0005","12.9338","0.0007","20.8991","0.0011","90","","101.784","0.001","90","","2339","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C100 H96 F16 I4 N4 O4 -","4","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0236","0.0211","","","0.0542","0.0556","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211199","5.4342","0.0002","11.9349","0.0004","19.0791","0.0005","94.229","0.002","94.338","0.003","95.863","0.003","1223.26","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F4 I N O -","- C27 H28 F4 I N O -","- C54 H56 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0388","0.0326","","","0.0729","0.077","","","","","","1.067","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211200","5.4791","0.00012","13.3643","0.0002","18.9794","0.0003","107.316","0.0015","94.6772","0.0017","92.7169","0.0016","1318.59","0.04","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 F4 I N O -","- C29 H32 F4 I N O -","- C58 H64 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0297","0.0254","","","0.0559","0.0577","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211201","7.6705","0.0002","11.9764","0.0005","13.1845","0.0005","67.842","0.004","87.532","0.003","72.143","0.003","1064.08","0.08","109.95","0.1","109.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0496","0.0389","","","0.0803","0.0859","","","","","","1.033","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211202","7.5755","0.0004","7.3774","0.0004","12.0168","0.0006","90","","102.173","0.003","90","","656.49","0.06","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0353","0.0309","","0.0788","0.0743","0.0726","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211203","7.6349","0.0005","7.4263","0.0006","12.1724","0.0008","90","","102.788","0.004","90","","673.04","0.08","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0623","0.0562","","0.1507","0.1391","0.1374","","","","","","1.0975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211204","7.58233","0.00011","7.37528","0.00009","12.04151","0.00016","90","","102.263","0.0006","90","","658.019","0.015","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","powder diffraction","neutron","","neutron","","","","","","","","0.17965","","3.53","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211205","9.45","0.0019","19.88","0.004","13.513","0.004","90","","127.38","0.019","90","","2017.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N3 O5 Zn -","- C22 H15 Cl N3 O5 Zn -","- C88 H60 Cl4 N12 O20 Zn4 -","4","1","","Fan, Mengchan; Yao, Zhenguo; Li, Chen; Xia, Yu; Zhang, Qi; Dai, Jingcao; Fu, Zhiyong","A stimuli-responsive zinc-based chain framework constructed via metal‒ligand directed assembly","CrystEngComm","2013","15","42","8408","","10.1039/c3ce41497c","","","0.71073","MoKα","","0.0343","0.0328","","","0.0914","0.0926","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211206","7.6033","0.0002","11.4827","0.0003","11.8705","0.0004","83.186","0.001","71.662","0.002","80.423","0.002","967.59","0.05","100","2","100","2","","","","","","","Isabelle Kirby","5","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C34 H44 Cl2 N10 O10 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.071","0.038","","","","0.029","","","","","","1.396","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211207","7.797","0.002","11.214","0.003","12.211","0.003","91.753","0.005","104.56","0.007","95.232","0.013","1027.5","0.5","100","2","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.08","0.053","","","","0.061","","","","","","1.645","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211208","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.05","0.035","","","","0.047","","","","","","2.569","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211209","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211210","12.5269","0.0003","6.6896","0.0002","25.244","0.0009","90","","93.856","0.002","90","","2110.66","0.11","120","2","120","2","","","","","","","Isabelle Kirby","4","P 1 21/n 1","-P 2yn","14","1,3(3-nitro)phenylurea with tma oac","","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C76 H100 N20 O28 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.1257","0.0605","","","0.1355","0.1634","","","","","","1.047","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211211","9.602","0.003","10.807","0.003","12.433","0.004","109.859","0.005","96.598","0.003","103.537","0.0005","1152.7","0.6","100","","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.0471","0.0432","","","0.1179","0.1275","","","","","","1.076","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211212","21.8064","0.0019","4.6133","0.0003","12.5773","0.0011","90","","90","","90","","1265.27","0.18","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3-bis(2-nitrophenyl)urea","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.0621","0.0541","","","0.1238","0.1303","","","","","","1.098","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211213","7.771","0.003","11.172","0.004","12.177","0.005","91.74","0.03","104.56","0.03","95.27","0.03","1017.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0978","0.0868","","","0.184","0.1944","","","","","","1.066","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211214","6.812","0.003","14.403","0.005","19.79","0.007","90","","90","","90","","1941.7","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0695","0.0695","","","0.1783","0.1783","","","","","","1.049","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211215","24.152","0.005","8.23","0.0016","23.368","0.005","90","","115.92","0.03","90","","4177.6","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C192 H160 N48 O16 -","8","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1688","0.0698","","","0.1801","0.228","","","","","","0.958","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211216","7.6423","0.0004","29.0929","0.0017","11.6687","0.0004","90","","92.778","0.003","90","","2591.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N7 O2 -","- C28 H27 N7 O2 -","- C112 H108 N28 O8 -","4","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1971","0.068","","","0.1357","0.1798","","","","","","0.929","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211217","20.064","0.003","20.064","0.003","13.088","0.003","90","","90","","90","","5268.8","1.6","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C100 H80 B4 F16 Fe4 N26 O9 -","- C100 H72 B4 F16 Fe4 N26 O9 -","- C200 H144 B8 F32 Fe8 N52 O18 -","2","0.25","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1164","0.089","","","0.2141","0.2278","","","","","","1.082","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211218","29.541","0.006","18.148","0.004","27.02","0.005","90","","90","","90","","14486","5","173","2","173","2","","","","","","","","7","P b a m","-P 2 2ab","55","","","","- C118 H103 F24 N31 O33 S8 Zn4 -","- C118 H80 F24 N31 O33 S8 Zn4 -","- C472 H320 F96 N124 O132 S32 Zn16 -","4","0.5","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1333","0.0771","","","0.2242","0.2606","","","","","","1.052","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211219","16.724","0.002","23.732","0.003","14.189","0.003","90","","90","","90","","5631.5","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C208 H208 Cd8 N32 O80 -","8","2","","McCormick, Laura J.; Turner, David R.","Inclined 1D→2D polycatenation of chiral chains with large π-surfaces","CrystEngComm","2013","15","41","8234","","10.1039/c3ce41538d","","","0.71073","MoKα","","0.0337","0.0331","","","0.0876","0.0899","","","","","","1.096","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211220","10.184","0.001","24.895","0.003","10.777","0.002","90","","90","","90","","2732.3","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br F4 Li N4 O4 -","- C20 H28 Br F4 Li N4 O4 -","- C80 H112 Br4 F16 Li4 N16 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.1071","0.0486","","","0.1171","0.144","","","","","","1.013","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211221","6.197","0.004","8.635","0.002","28.79","0.009","90","","90","","90","","1540.6","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Cl F2 Li N2 O4 -","- C10 H6 Cl F2 Li N2 O4 -","- C40 H24 Cl4 F8 Li4 N8 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0395","0.0386","","","0.1069","0.1081","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211222","10.408","0.002","25.175","0.003","10.745","0.002","90","","90","","90","","2815.4","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C22 H40 Br Li N4 O4 -","- C19.84 H4 Br Li N4 O4 -","- C79.36 H16 Br4 Li4 N16 O16 -","4","0.5","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0696","0.0463","","","0.1184","0.1325","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211223","10.8762","0.0002","10.9064","0.0002","12.251","0.0002","75.952","0.001","76.275","0.001","78.378","0.001","1353.45","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Eu N10 O6 -","- C23 H16 Au Eu N10 O6 -","- C46 H32 Au2 Eu2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0383","0.0274","","0.0247","0.0194","0.0192","","","","","","1.1411","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211224","10.8442","0.0002","10.8853","0.0002","12.2574","0.0003","75.733","0.001","76.437","0.001","78.82","0.001","1348.86","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au N10 O6 Tb -","- C23 H16 Au N10 O6 Tb -","- C46 H32 Au2 N20 O12 Tb2 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0413","0.0293","","0.0278","0.0233","0.0228","","","","","","1.1422","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211225","10.847","0.002","10.8781","0.0019","12.255","0.002","75.675","0.01","76.336","0.009","78.43","0.01","1345.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Gd N10 O6 -","- C23 H16 Au Gd N10 O6 -","- C46 H32 Au2 Gd2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0254","0.0203","","0.0164","0.0152","0.0151","","","","","","1.1238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211226","15.3869","0.0003","17.6799","0.0003","18.9791","0.0004","90","","90","","90","","5163.05","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Eu N18 -","- C48 H32 Au3 Eu N18 -","- C192 H128 Au12 Eu4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0403","0.0303","","","0.0561","0.0599","","","","","","0.9","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211227","15.366","0.002","17.645","0.002","18.959","0.003","90","","90","","90","","5140.4","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Gd N18 -","- C48 H29 Au3 Gd N18 -","- C192 H116 Au12 Gd4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0361","0.0278","","","0.051","0.0531","","","","","","0.973","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211228","14.0972","0.0011","8.2977","0.0008","15.9525","0.0014","90","","104.203","0.007","90","","1809","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 Pb -","- C14 H14 Cl N5 O3 Pb -","- C56 H56 Cl4 N20 O12 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.107","0.0777","","","0.1703","0.1821","","","","","","1.111","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211229","12.805","0.001","4.0989","0.0003","16.246","0.001","90","","96.729","0.001","90","","846.82","0.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Cl2 N4 Pb -","- C14 H14 Cl2 N4 Pb -","- C28 H28 Cl4 N8 Pb2 -","2","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.0157","0.0155","","","0.0388","0.0389","","","","","","1.06","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211230","11.4008","0.0014","9.6644","0.0011","16.7665","0.0019","90","","96.393","0.003","90","","1835.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl Cu O2 S2 -","- C18 H20 Cl Cu O2 S2 -","- C72 H80 Cl4 Cu4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0922","0.0429","","","0.1011","0.1365","","","","","","1.016","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211231","19.6238","0.0008","9.2933","0.0004","22.3113","0.0009","90","","114.138","0.002","90","","3713.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Cu2 O4 S4 -","- C36 H40 Br2 Cu2 O4 S4 -","- C144 H160 Br8 Cu8 O16 S16 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0949","0.0441","","","0.0986","0.1281","","","","","","0.855","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211232","11.814","0.012","14.973","0.015","11.418","0.012","90","","105.401","0.019","90","","1947","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cu N O2 S3 -","- C19 H20 Cu N O2 S3 -","- C76 H80 Cu4 N4 O8 S12 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.1484","0.0898","","","0.1817","0.1996","","","","","","1.043","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211233","12.9194","0.0005","19.501","0.0006","8.3487","0.0003","90","","93.55","0.002","90","","2099.35","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Hg O2 S2 -","- C18 H20 Br2 Hg O2 S2 -","- C72 H80 Br8 Hg4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.054","0.0364","","","0.0724","0.0785","","","","","","1.017","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211234","12.9144","0.0003","8.0371","0.0002","25.7905","0.0006","90","","100.243","0.001","90","","2634.24","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Hg2 I4 O2 S2 -","- C18 H20 Hg2 I4 O2 S2 -","- C72 H80 Hg8 I16 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.095","0.0788","","","0.1988","0.2137","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211235","8.8401","0.0002","9.9305","0.0002","12.666","0.0003","80.608","0.001","73.482","0.001","80.915","0.001","1044.39","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 N2 O8 Pd S2 -","- C18 H20 N2 O8 Pd S2 -","- C36 H40 N4 O16 Pd2 S4 -","2","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0267","0.0241","","","0.0581","0.0601","","","","","","1.015","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211236","12.1618","0.0003","12.8043","0.0003","19.3631","0.0004","71.46","0.001","74.748","0.001","88.068","0.002","2753.99","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 N2 O10 Pd S4 -","- C36 H40 N2 O10 Pd S4 -","- C108 H120 N6 O30 Pd3 S12 -","3","1.5","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.074","0.0458","","","0.0887","0.0995","","","","","","1.033","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211237","23.695","0.001","26.6618","0.001","7.2913","0.0005","90","","95.95","0.01","90","","4581.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Bi Cl4 N4 O2 -","- C20 H17 Bi Cl4 N4 O2 -","- C160 H136 Bi8 Cl32 N32 O16 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0999","0.0343","","","0.0441","0.0554","","","","","","1.018","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211238","18.8244","0.0008","9.7773","0.0002","16.519","0.0007","90","","94.968","0.005","90","","3028.93","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Bi Cl4 N2 O -","- C10 H9 Bi Cl4 N2 O -","- C80 H72 Bi8 Cl32 N16 O8 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1204","0.0446","","","0.0513","0.0626","","","","","","1.034","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211239","10.1031","0.0006","12.8928","0.0005","12.5741","0.001","90","","104.077","0.006","90","","1588.68","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Bi2 Br8 N4 O2 -","- C20 H18 Bi2 Br8 N4 O2 -","- C40 H36 Bi4 Br16 N8 O4 -","2","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0764","0.0375","","","0.0509","0.0583","","","","","","1.038","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211240","8.4049","0.0008","21.2014","0.0018","9.3965","0.0006","90","","107.241","0.005","90","","1599.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Bi Br4 N2 O -","- C10 H9 Bi Br4 N2 O -","- C40 H36 Bi4 Br16 N8 O4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","","0.71073","MoKα","","0.1326","0.0517","","","0.0973","0.1205","","","","","","1.008","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211241","19.2567","0.0008","13.3429","0.0005","12.3084","0.0007","90","","107.434","0.003","90","","3017.2","0.2","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Bi Cl6 N4 O3 S -","- C22 H25 Bi Cl6 N4 O3 S -","- C88 H100 Bi4 Cl24 N16 O12 S4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1143","0.0355","","","0.05","0.0607","","","","","","0.966","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211242","10.1639","0.0004","16.0423","0.0006","16.2284","0.0006","90","","102.593","0.001","90","","2582.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O6 Zn -","- C30 H20 N2 O6 Zn -","- C120 H80 N8 O24 Zn4 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.043","0.0298","","","0.077","0.0828","","","","","","1.03","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211243","8.7642","0.0006","31.696","0.002","10.7597","0.0007","90","","110.882","0.001","90","","2792.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H28 N4 Ni O7 -","- C30 H26 N4 Ni O7 -","- C120 H104 N16 Ni4 O28 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0605","0.0505","","","0.1347","0.1442","","","","","","1.063","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211244","18.281","0.002","36.104","0.004","17.145","0.002","90","","90","","90","","11316","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H26 N2 Ni O6 -","- C33 H26 N2 Ni O6 -","- C528 H416 N32 Ni16 O96 -","16","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.1008","0.0489","","","0.0911","0.1078","","","","","","1.002","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211245","10.9446","0.0009","15.2526","0.0012","16.0944","0.0013","102.793","0.001","105.421","0.001","99.034","0.001","2458.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cd2 N4 O14 -","- C54 H38 Cd2 N4 O14 -","- C108 H76 Cd4 N8 O28 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.074","0.0283","","","0.0739","0.0895","","","","","","0.859","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211246","11.0578","0.0005","11.4735","0.0005","28.3323","0.0012","94.696","0.001","90.345","0.001","95.797","0.001","3563.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H54 Mn3 N4 O19 -","- C84 H52 Mn3 N4 O19 -","- C168 H104 Mn6 N8 O38 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0629","0.0398","","","0.0991","0.1098","","","","","","1.047","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211247","9.3588","0.0013","12.8986","0.0018","13.0717","0.0019","90","","97.534","0.002","90","","1564.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O7 U -","- C13 H18 N2 O7 U -","- C52 H72 N8 O28 U4 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0154","0.0137","","","0.0315","0.032","","","","","","1.084","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211248","28.995","0.003","32.585","0.004","9.3986","0.0011","90","","90","","90","","8879.8","1.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H4 N2 O18 U2 -","- C14 H4 N2 O18 U2 -","- C224 H64 N32 O288 U32 -","16","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0497","0.0432","","","0.1018","0.1045","","","","","","1.128","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211249","10.327","0.003","12.129","0.003","15.073","0.004","90","","106.288","0.008","90","","1812.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H2 N O13 U2 -","- C7 H2 N O13 U2 -","- C28 H8 N4 O52 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0524","0.0381","","","0.0977","0.1045","","","","","","0.963","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211250","10.0704","0.001","8.3162","0.0008","13.624","0.0013","90","","106.031","0.001","90","","1096.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H4 N2 O18 U3 -","- C14 H4 N2 O18 U3 -","- C28 H8 N4 O36 U6 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0458","0.0306","","","0.0572","0.0622","","","","","","0.998","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211251","12.362","0.002","9.9067","0.0016","22.294","0.004","90","","98.383","0.002","90","","2701.1","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H8 N5 O48 Sm7 U2 -","- C28 H8 N5 O48 Sm7 U2 -","- C56 H16 N10 O96 Sm14 U4 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0566","0.0473","","","0.1012","0.1052","","","","","","1.045","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211252","8.8835","0.0008","9.2545","0.0008","28.075","0.003","90","","90","","90","","2308.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl2 N2 O15 U2 -","- C14 H4 Cl2 N2 O15 U2 -","- C56 H16 Cl8 N8 O60 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0277","0.0253","","","0.0551","0.0559","","","","","","1.071","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211253","9.3706","0.0005","9.2284","0.0005","24.2878","0.0012","90","","92.128","0.001","90","","2098.85","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cl2 N2 O14 U2 -","- C14 H6 Cl2 N2 O14 U2 -","- C56 H24 Cl8 N8 O56 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0212","0.0196","","","0.0441","0.0445","","","","","","1.186","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211254","28.157","0.006","10.174","0.002","13.23","0.003","90","","91.302","0.003","90","","3789","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C112 H32 Cl16 N16 Na8 O96 U12 -","4","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0678","0.0759","","","","","","0.831","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211255","33.4782","0.0019","9.1734","0.0005","17.5749","0.001","90","","90","","90","","5397.4","0.5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H74 N2 O14 -","- C58 H74 N2 O14 -","- C232 H296 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.058","0.0457","","","0.1154","0.1241","","","","","","1.052","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211256","34.399","0.004","9.4442","0.0011","17.646","0.002","90","","95.37","0.001","90","","5707.5","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H82 N2 O14 -","- C62 H82 N2 O14 -","- C248 H328 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0777","0.0459","","","0.1021","0.1172","","","","","","1.02","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211257","36.8591","0.0018","9.2839","0.0005","18.0544","0.0009","90","","90.634","0.001","90","","6177.8","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1152","0.1283","","","","","","1.034","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211258","36.162","0.012","9.347","0.003","17.877","0.006","90","","112.125","0.004","90","","5598","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H78 N2 O14 -","- C62 H78 N2 O14 -","- C248 H312 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.059","0.0438","","","0.1086","0.1173","","","","","","1.055","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211259","8.8079","0.0004","12.2447","0.0004","12.525","0.0006","90","","90","","90","","1350.82","0.1","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Ag Cl N O4 -","- C12 H15 Ag Cl N O4 -","- C48 H60 Ag4 Cl4 N4 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.019","0.0181","","","0.0448","0.0451","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211260","12.6852","0.0004","8.1924","0.0003","12.8192","0.0005","90","","99.738","0.002","90","","1313","0.08","114","2","114","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Ag Cl N2 O4 -","- C11 H14 Ag Cl N2 O4 -","- C44 H56 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0236","0.0216","","","0.0565","0.058","","","","","","1.105","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211261","15.3229","0.0009","21.2905","0.0011","8.0381","0.0004","90","","90","","90","","2622.3","0.2","114","2","114","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Ag2 Cl2 N6 O8 -","- C20 H26 Ag2 Cl2 N6 O8 -","- C80 H104 Ag8 Cl8 N24 O32 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0832","0.0478","","","0.108","0.1199","","","","","","0.935","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211262","11.6969","0.0003","12.974","0.0003","20.015","0.0005","90","","90","","90","","3037.39","0.13","114","2","114","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Ag2 F6 N6 O7 S2 -","- C22 H28 Ag2 F6 N6 O7 S2 -","- C88 H112 Ag8 F24 N24 O28 S8 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0237","0.021","","","0.0423","0.0431","","","","","","0.995","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211263","7.8652","0.0003","14.0587","0.0005","14.8864","0.0006","113.746","0.002","92.329","0.002","90.687","0.002","1504.73","0.1","117","2","117.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Ag2 F6 N4 O6 S4 -","- C20 H24 Ag2 F6 N4 O6 S4 -","- C40 H48 Ag4 F12 N8 O12 S8 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0578","0.0451","","","0.1241","0.1297","","","","","","1.25","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211264","12.1378","0.0004","10.7654","0.0003","13.2121","0.0004","90","","111.584","0.002","90","","1605.35","0.09","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Ag Cl N2 O4 -","- C15 H16 Ag Cl N2 O4 -","- C60 H64 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0494","0.0362","","","0.1012","0.1068","","","","","","0.981","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211265","10.9576","0.0004","12.0044","0.0004","12.122","0.0004","65.317","0.002","70.029","0.002","76.155","0.002","1352.96","0.08","114","2","114","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Ag2 Cl3 N5 O10 -","- C18 H28 Ag2 Cl3 N5 O10 -","- C36 H56 Ag4 Cl6 N10 O20 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0408","0.0313","","","0.0786","0.0818","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211266","41.519","0.006","41.519","0.006","9.1478","0.0018","90","","90","","120","","13657","4","114","2","114","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C306 H360 Ag36 Cl18 F108 N90 O108 S36 -","18","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0508","0.0453","","","0.1406","0.1463","","","","","","1.046","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211267","12.404","0.0004","22.1684","0.0008","23.4044","0.0008","90","","97.655","0.002","90","","6378.3","0.4","112","2","112","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Ag2 F6 N5 O6 S2 -","- C24 H31 Ag2 F6 N5 O6 S2 -","- C192 H248 Ag16 F48 N40 O48 S16 -","8","2","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0656","0.0474","","","0.1183","0.1307","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211268","10.4069","0.0002","13.8557","0.0004","37.5419","0.001","90","","90","","90","","5413.3","0.2","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Ag4 Cl4 N12 O16 -","- C42 H60 Ag4 Cl4 N12 O16 -","- C168 H240 Ag16 Cl16 N48 O64 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0411","0.037","","","0.0897","0.0919","","","","","","1.132","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211269","15.867","0.0007","12.8111","0.0005","18.0525","0.0008","90","","93.503","0.002","90","","3662.7","0.3","114","2","114","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag3 F9 N6 O9 S3 -","- C24 H30 Ag3 F9 N6 O9 S3 -","- C96 H120 Ag12 F36 N24 O36 S12 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0518","0.032","","","0.0636","0.0681","","","","","","0.977","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211323","10.28","0.002","16.992","0.003","11.204","0.002","90","","97.87","0.03","90","","1938.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 O6 Pr -","- C26 H42 Mo N14 O6 Pr -","- C52 H84 Mo2 N28 O12 Pr2 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0554","0.0514","","","0.1275","0.1303","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211324","10.257","0.002","16.936","0.003","11.176","0.002","90","","98.09","0.03","90","","1922.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 Nd O6 -","- C26 H42 Mo N14 Nd O6 -","- C52 H84 Mo2 N28 Nd2 O12 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0541","0.0481","","","0.102","0.1051","","","","","","1.006","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211325","16.68","0.003","11.19","0.002","21.33","0.004","90","","91.58","0.03","90","","3979.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Sm -","- C26 H42 Mo N14 O6 Sm -","- C104 H168 Mo4 N56 O24 Sm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1047","0.0834","","","0.2163","0.241","","","","","","0.924","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211326","16.5","0.003","11.084","0.002","21.108","0.004","90","","90.85","0.03","90","","3859.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Eu Mo N14 O6 -","- C26 H42 Eu Mo N14 O6 -","- C104 H168 Eu4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0991","0.0764","","","0.1619","0.1743","","","","","","1.15","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211327","16.426","0.003","11.051","0.002","21.097","0.004","90","","91.17","0.03","90","","3828.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Gd Mo N14 O6 -","- C26 H42 Gd Mo N14 O6 -","- C104 H168 Gd4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0753","0.0581","","","0.1567","0.1713","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211328","16.396","0.003","10.996","0.002","21.194","0.004","90","","90.86","0.03","90","","3820.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ho Mo N14 O6 -","- C26 H42 Ho Mo N14 O6 -","- C104 H168 Ho4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0734","0.0595","","","0.1395","0.1522","","","","","","1.171","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211329","16.369","0.005","10.983","0.003","21.234","0.004","90","","91.124","0.014","90","","3816.7","1.7","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Er Mo N14 O6 -","- C26 H42 Er Mo N14 O6 -","- C104 H168 Er4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1173","0.0933","","","0.2325","0.2534","","","","","","1.045","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211330","16.405","0.003","10.957","0.002","21.382","0.004","90","","91.21","0.03","90","","3842.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Tm -","- C26 H42 Mo N14 O6 Tm -","- C104 H168 Mo4 N56 O24 Tm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0917","0.0712","","","0.1652","0.1824","","","","","","1.19","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211331","16.344","0.003","10.96","0.002","21.261","0.004","90","","91","0.03","90","","3807.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Yb -","- C26 H42 Mo N14 O6 Yb -","- C104 H168 Mo4 N56 O24 Yb4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1171","0.0752","","","0.1434","0.1627","","","","","","1.086","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211332","22.638","0.002","23.917","0.002","5.1656","0.0004","90","","90","","90","","2796.8","0.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C96 H112 Cu8 N32 O32 -","8","0.5","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0335","0.0327","","","0.0806","0.0816","","","","","","1.051","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211333","10.9931","0.0005","10.9931","0.0005","18.085","0.0009","90","","90","","90","","2185.54","0.18","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0325","0.0316","","","0.0836","0.0849","","","","","","1.01","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211334","10.9857","0.0008","10.9857","0.0008","9.1031","0.0009","90","","90","","90","","1098.61","0.16","438","2","438","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.004 Cu2 N5.002 O5 -","- C32 H42.008 Cu4 N10.004 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0273","0.0263","","","0.0677","0.0685","","","","","","1.025","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211335","10.9932","0.0001","10.9932","0.0001","18.0928","0.0003","90","","90","","90","","2186.52","0.05","300","2","300","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0423","0.0421","","","0.1028","0.1031","","","","","","1.054","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211336","10.978","0.0003","10.978","0.0003","9.1059","0.0004","90","","90","","90","","1097.41","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.228 Cu2 N5 O5 -","- C32 H42.456 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0231","0.0229","","","0.0615","0.0617","","","","","","1.018","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211337","10.9902","0.0001","10.9902","0.0001","18.094","0.003","90","","90","","90","","2185.5","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0294","0.0292","","","0.0807","0.0807","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211338","10.9855","0.0003","10.9855","0.0003","9.1106","0.0004","90","","90","","90","","1099.48","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.24 Cu2 N5 O5 -","- C32 H42.48 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0216","0.0214","","","0.0601","0.0602","","","","","","1.02","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211339","8.7","0.0002","11.4517","0.0003","23.0491","0.0008","90","","90","","90","","2296.38","0.11","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","1","0.25","","Liu, Yen-Hsiang; Peng, Chia-Chien; Lee, Szu-Hsuan; Chien, Po-Hsiu; Wu, Pei-Chen","In situ resolved ligand chirality in preparing a chiral 3D zinc‒cyclopentane‒tetracarboxylate based coordination polymer","CrystEngComm","2013","15","47","10333","","10.1039/c3ce41143e","","x-ray","0.71073","MoKα","","0.1168","0.0596","","","0.1242","0.1482","","","","","","1.019","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211340","10.3022","0.0003","12.5187","0.0004","25.8195","0.0011","101.016","0.003","92.618","0.003","96.446","0.003","3240.2","0.2","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H93.2 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0645","0.0378","","","0.0623","0.0708","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211341","9.651","0.0006","10.4093","0.0007","20.4141","0.0012","75.506","0.005","79.777","0.005","78.407","0.005","1927.5","0.2","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0448","0.0323","","","0.0669","0.073","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211342","10.5513","0.0007","12.9013","0.0005","13.0406","0.0006","65.07","0.004","71.264","0.005","68.809","0.005","1470.67","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0489","0.0325","","","0.0496","0.0541","","","","","","1.018","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211343","11.4044","0.0006","22.5801","0.0008","11.8951","0.0006","90","","115.844","0.006","90","","2756.8","0.3","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cu2 Mo8 N12 O29 -","- C36 H36 Cu2 Mo8 N12 O29 -","- C72 H72 Cu4 Mo16 N24 O58 -","2","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0494","0.0355","","","0.0669","0.0715","","","","","","1.083","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211344","9.6394","0.0004","10.3809","0.0004","20.3352","0.0008","104.412","0.004","95.009","0.003","101.078","0.003","1914.45","0.14","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0384","0.0291","","","0.0633","0.0676","","","","","","1.04","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211345","11.8441","0.0005","11.8441","0.0005","9.2064","0.0004","90","","90","","120","","1118.47","0.08","291","2","291.15","","","","","","","","","6","P -3","-P 3","147","","","","- C18 H24 Mo N6 O7 Zn -","- C18 H24 Mo N6 O7 Zn -","- C36 H48 Mo2 N12 O14 Zn2 -","2","0.333333","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0651","0.0489","","","0.1428","0.1576","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211346","13.9824","0.0008","5.5774","0.0003","9.8671","0.0005","90","","90","","90","","769.49","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba4 O36 Te4 W8 -","4","0.5","","Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo","Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9","CrystEngComm","2013","15","47","10197","","10.1039/c3ce41272e","","","0.71073","MoKα","","0.0186","0.0175","","","0.0367","0.037","","","","","","1.268","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211347","5.832","0.001","13.649","0.002","13.79","0.002","90","","90","","90","","1097.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ca(H2alend).H2O","","","- C4 H13 Ca N O8 P2 -","- C4 H11 Ca N O8 P2 -","- C16 H44 Ca4 N4 O32 P8 -","4","1","","Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia","A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?","CrystEngComm","2013","15","46","9899","","10.1039/c3ce41346b","","","0.71073","MoKα","","0.1139","0.094","","","0.235","0.2476","","","","","","1.115","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211348","3.848","0.006","11.006","0.009","26.045","0.008","99.47","0.03","90","","90","","1088","1.9","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","","","- C11 H0 O2 S4 -","- C11 O2 S4 -","- C44 O8 S16 -","4","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.2531","0.1432","","","0.3231","0.3774","","","","","","1.069","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211349","43.192","0.004","6.091","0.003","23.009","0.006","90","","91.706","0.009","90","","6051","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound4","","","- C26 H20 O5 S8 -","- C26 H20 O5 S8 -","- C208 H160 O40 S64 -","8","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.0809","0.0514","","","0.1225","0.1327","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211350","17.7765","0.0014","10.2326","0.0008","20.9614","0.0017","90","","108.681","0.001","90","","3612","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cd N6 O5 -","- C15 H14 Cd N6 O5 -","- C120 H112 Cd8 N48 O40 -","8","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.048","0.0371","","","0.1254","0.1311","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211351","8.817","0.003","35.043","0.011","14.69","0.004","90","","121.574","0.014","90","","3867","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cd3 N12 O10 -","- C38 H25 Cd3 N12 O9.5 -","- C152 H100 Cd12 N48 O38 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0408","0.0284","","","0.0607","0.0662","","","","","","0.982","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211352","12.2094","0.001","10.709","0.0009","18.4149","0.0015","90","","92.646","0.001","90","","2405.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cd2 N6 O10 -","- C20 H18 Cd2 N6 O10 -","- C80 H72 Cd8 N24 O40 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0209","","","0.0509","0.0532","","","","","","0.959","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211353","8.1335","0.0019","16.014","0.004","16.343","0.004","62.282","0.002","87.655","0.002","87.504","0.002","1882.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd3 N12 O14 -","- C32 H28 Cd3 N12 O14 -","- C64 H56 Cd6 N24 O28 -","2","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0211","","","0.049","0.0506","","","","","","1.053","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211354","26.5522","0.0013","16.7313","0.0009","8.0639","0.0004","90","","107.038","0.003","90","","3425.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Cu2 F5 N3 O8 -","- C35 H26 Cu2 F5 N3 O8 -","- C140 H104 Cu8 F20 N12 O32 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0672","0.061","","","0.1639","0.1696","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211355","26.366","0.003","16.393","0.002","8.1433","0.0009","90","","107.648","0.006","90","","3354","0.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H57 Cu4 F5 N6 O16 -","- C70 H57 Cu4 F5 N6 O16 -","- C140 H114 Cu8 F10 N12 O32 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0541","0.0502","","","0.1518","0.156","","","","","","1.125","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211356","10.6918","0.0011","17.4451","0.0017","10.9674","0.0011","90","","96.054","0.004","90","","2034.2","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H14 F5 N3 -","- C27 H14 F5 N3 -","- C108 H56 F20 N12 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0296","0.0293","","","0.0777","0.0782","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211357","39.181","0.002","16.518","0.0009","25.5638","0.0014","90","","129.465","0.003","90","","12772.7","1.3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C128 H108 F20 N12 O31 Zn5 -","- C128 H86 F20 N12 O31 Zn5 -","- C512 H344 F80 N48 O124 Zn20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0962","0.0683","","","0.1802","0.2057","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211358","5.512","0.002","25.524","0.01","7.743","0.003","90","","109.287","0.009","90","","1028.2","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 S2 -","- C20 H22 N8 S2 -","- C40 H44 N16 S4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.076","0.0536","","","0.1317","0.153","","","","","","1.099","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211359","13.584","0.003","7.9537","0.0015","12.942","0.002","90","","115.153","0.004","90","","1265.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H18 Cl4 N8 S2 Zn2 -","- C18 H18 Cl4 N8 S2 Zn2 -","- C36 H36 Cl8 N16 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0403","0.0307","","","0.0845","0.1079","","","","","","1.096","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211360","19.4605","0.0018","11.6501","0.001","14.0409","0.0013","90","","121.981","0.002","90","","2700.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl4 N8 S2 Zn2 -","- C20 H22 Cl4 N8 S2 Zn2 -","- C80 H88 Cl16 N32 S8 Zn8 -","4","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0597","0.0463","","","0.1073","0.1134","","","","","","1.028","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211361","11.1507","0.0015","16.62","0.002","14.0288","0.0019","90","","107.922","0.003","90","","2473.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl4 N16 S4 Zn2 -","- C42 H48 Cl4 N16 S4 Zn2 -","- C84 H96 Cl8 N32 S8 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0418","0.0341","","","0.0831","0.0865","","","","","","1.035","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211362","9.1365","0.001","13.0198","0.0015","13.8696","0.0016","90","","92.449","0.002","90","","1648.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl2 N5 S Zn -","- C14 H13 Cl2 N5 S Zn -","- C56 H52 Cl8 N20 S4 Zn4 -","4","1","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0444","0.037","","","0.089","0.0931","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211363","8.9397","0.0005","17.7137","0.0009","10.9396","0.0006","90","","100.914","0.001","90","","1701.01","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl4 N10 S2 Zn2 -","- C28 H26 Cl4 N10 S2 Zn2 -","- C56 H52 Cl8 N20 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0288","0.0264","","","0.0654","0.0664","","","","","","1.043","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211364","12.787","0.003","13.339","0.003","16.139","0.004","65.969","0.004","83.547","0.004","85.33","0.004","2496.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F15 I3 N8 O2 -","- C46 H40 F15 I3 N8 O2 -","- C92 H80 F30 I6 N16 O4 -","2","1","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0357","0.0293","","","0.0682","0.0713","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211365","9.372","0.002","9.757","0.002","10.799","0.003","77.105","0.004","84.963","0.004","63.533","0.004","861.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0375","0.0335","","","0.0793","0.0814","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211366","8.3319","0.0015","11.289","0.002","13.162","0.002","84.68","0.004","80.485","0.004","74.665","0.004","1175.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F8 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0701","0.0497","","","0.1106","0.1191","","","","","","1.091","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211367","9.9643","0.0005","11.976","0.0006","12.4981","0.0007","67.931","0.005","76.363","0.005","80.105","0.004","1337.44","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","1","0.5","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0423","0.0366","","","0.0962","0.1015","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211368","12.0876","0.0005","13.9694","0.0005","17.0235","0.0006","91.703","0.003","110.084","0.003","100.902","0.003","2637","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H22 Cd5 N24 O14 -","- C42 H22 Cd5 N24 O14 -","- C84 H44 Cd10 N48 O28 -","2","1","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0429","0.0343","","","0.089","0.093","","","","","","1.194","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211369","19.563","0.006","18.755","0.005","20.674","0.006","90","","113.675","0.016","90","","6947","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Mo12 N12 O39 -","- C42 H54 Mo12 N12 O39 -","- C168 H216 Mo48 N48 O156 -","4","1","","Yue, Zhong-Cheng; Du, Hai-Juan; Niu, Yun-Yin; Jin, Guo-Xin","An unprecedented ι-type octamolybdate: [TbI1]2[(β-Mo8O26)0.5(ι-Mo8O26)] directed by a new tricationic template","CrystEngComm","2013","15","46","9844","","10.1039/c3ce41418c","","","0.71073","MoKα","","0.0611","0.0354","","","0.0642","0.0738","","","","","","1.01","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211370","10.923","0.004","10.889","0.004","12.814","0.004","90","","102.503","0.017","90","","1488","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N3 O6 -","- C29 H39 N3 O6 -","- C58 H78 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1235","0.128","","","","","","1.067","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211371","12.575","0.004","10.973","0.003","13.526","0.005","90","","105.577","0.009","90","","1797.8","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.1863","0.0993","","","0.2502","0.2947","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211372","26.273","","10.799","","25.051","","90","","95.02","","90","","7080.26","","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H32 Cd3 O21 -","- C30 H32 Cd3 O21 -","- C240 H256 Cd24 O168 -","8","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0294","0.0259","","","0.0648","0.0668","","","","","","1.06","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211373","10.3202","0.0005","13.9105","0.0007","16.3411","0.0007","90","","95.892","0.004","90","","2333.52","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cd N2 O8 -","- C27 H20 Cd N2 O8 -","- C108 H80 Cd4 N8 O32 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0488","0.0408","","","0.1363","0.1455","","","","","","1.063","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211374","8.5092","0.0002","40.4753","0.0013","15.5716","0.0004","90","","118.257","0.002","90","","4724","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O14 -","- C54 H34 Cd3 N4 O14 -","- C216 H136 Cd12 N16 O56 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0617","0.0433","","","0.0804","0.0892","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211375","9.8127","0.0005","13.7846","0.0012","16.4007","0.0013","73.692","0.007","80.411","0.006","77.779","0.006","2067.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Mn N4 O12 -","- C50 H34 Mn N4 O12 -","- C100 H68 Mn2 N8 O24 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1084","0.0617","","","0.1112","0.1456","","","","","","1.05","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211376","7.3341","0.0004","10.9138","0.0006","11.253","0.0009","90.484","0.005","104.231","0.006","105.006","0.005","840.8","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 Co2 O11 -","- C15 H16 Co2 O11 -","- C30 H32 Co4 O22 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0918","0.0767","","","0.1882","0.1999","","","","","","1.062","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211377","9.4312","0.0014","9.7651","0.0011","12.7597","0.0017","108.799","0.011","103.281","0.012","93.934","0.011","1069.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","1","0.5","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.7107","MoKα","","0.1053","0.0879","","","0.2063","0.2164","","","","","","1.112","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211378","9.5262","0.0019","21.006","0.004","12.489","0.002","90","","111.832","0.009","90","","2319.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N2 O6 Pb -","- C27 H16 N2 O6 Pb -","- C108 H64 N8 O24 Pb4 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.038","0.0251","","","0.0509","0.0546","","","","","","0.998","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211379","13.144","0.0005","16.1395","0.0008","17.3653","0.0009","112.258","0.005","104.013","0.004","96.65","0.004","3218.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H48 N5 Ni3 O19 -","- C55 H48 N5 Ni3 O19 -","- C110 H96 N10 Ni6 O38 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1097","0.0688","","","0.1639","0.1911","","","","","","1.026","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211380","6.955","0.002","18.182","0.003","22.181","0.003","90","","95.31","0.03","90","","2792.9","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate methanol 5.24-solvate","","- C41.23 H48.96 Cl6 Cu2 N16 O13.22 -","- C41.23 H28 Cl6 Cu2 N16 O13.23 -","- C82.46 H56 Cl12 Cu4 N32 O26.46 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1709","0.0541","","","0.1287","0.1521","","","","","","0.868","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211381","6.971","0.002","17.912","0.003","22.289","0.003","90","","95.64","0.03","90","","2769.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate tetrachloromethane disolvate","","- C38 H28 Cl14 Cu2 N16 O8 -","- C38 H28 Cl14 Cu2 N16 O8 -","- C76 H56 Cl28 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.293","0.105","","","0.1311","0.1983","","","","","","0.95","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211382","6.999","0.002","17.994","0.003","22.019","0.003","90","","95.67","0.03","90","","2759.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate toluene disolvate","","- C50 H44 Cl6 Cu2 N16 O8 -","- C50 H44 Cl6 Cu2 N16 O8 -","- C100 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2272","0.0595","","","0.0753","0.1046","","","","","","0.777","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211383","14.183","0.003","18.048","0.003","22.365","0.004","90","","95.08","0.03","90","","5702.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate o-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C208 H192 Cl24 Cu8 N64 O32 -","4","1","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1009","0.0412","","","0.0724","0.0831","","","","","","0.813","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211384","6.987","0.002","18.534","0.003","22.097","0.004","90","","94.78","0.03","90","","2851.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate m-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.095","0.0422","","","0.0736","0.0814","","","","","","0.844","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211385","6.946","0.002","18.278","0.003","22.45","0.004","90","","91.75","0.03","90","","2848.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate p-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1048","0.0393","","","0.0652","0.0768","","","","","","0.847","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211386","7.023","0.002","18.472","0.003","22.101","0.004","90","","95.36","0.03","90","","2854.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate naphthalene clathrate","","- C56 H44 Cl6 Cu2 N16 O8 -","- C56 H44 Cl6 Cu2 N16 O8 -","- C112 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2903","0.1199","","","0.1754","0.2289","","","","","","0.93","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211387","6.993","0.002","18.663","0.003","22.01","0.004","90","","95.07","0.03","90","","2861.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2566","0.1132","","","0.1762","0.2269","","","","","","1.017","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211388","7.093","0.002","18.185","0.003","18.27","0.003","90","","90.4","0.03","90","","2356.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate","","- C36 H28 Cl6 Cu2 N16 O8 -","- C36 H28 Cl6 Cu2 N16 O8 -","- C72 H56 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","1.54175","CuKα","","0.2944","0.0646","","","0.1244","0.1669","","","","","","0.531","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211389","8.1994","0.0016","16.883","0.003","12.655","0.004","90","","129.974","0.019","90","","1342.5","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Co N14 O2 -","- C8 H8 Co N14 O2 -","- C32 H32 Co4 N56 O8 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1349","0.1184","","","0.2687","0.2759","","","","","","0.974","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211390","8.2502","0.0007","16.8656","0.001","12.7981","0.001","90","","129.908","0.005","90","","1366","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O3 Zn -","- C8 H8 N14 O3 Zn -","- C32 H32 N56 O12 Zn4 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1195","0.1135","","","0.2805","0.2821","","","","","","1.181","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211391","9.6277","0.0006","6.4382","0.0004","9.7615","0.0006","90","","95.393","0.005","90","","602.39","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cu0.5 N7 -","- C4 H3 Cu0.5 N7 -","- C16 H12 Cu2 N28 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0433","0.0339","","","0.0861","0.0885","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211392","8.3955","0.0017","16.678","0.003","13.398","0.004","90","","128.62","0.02","90","","1465.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N14 O2.5 -","- C8 H8 Cd N14 O2.5 -","- C32 H32 Cd4 N56 O10 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0785","0.0609","","","0.1319","0.1378","","","","","","1.19","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211393","18.1047","0.0018","26.696","0.003","18.618","0.003","90","","115.839","0.002","90","","8098.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H84 Cu3 N12 O24 -","- C78 H72 Cu3 N12 O24 -","- C312 H288 Cu12 N48 O96 -","4","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0695","0.0449","","","0.1144","0.1225","","","","","","1.058","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211394","10.1362","0.0013","16.167","0.002","16.57","0.002","110.64","0.002","92.365","0.002","102.114","0.002","2464.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","1","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.092","0.0541","","","0.122","0.1351","","","","","","1.005","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211395","9.9622","0.001","18.3107","0.0018","15.7167","0.0015","90","","106.788","0.002","90","","2744.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O7 -","- C26 H26 Cu N4 O7 -","- C104 H104 Cu4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0464","0.0388","","","0.1118","0.1156","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211396","9.8769","0.0011","12.6544","0.0014","16.4665","0.0018","109.065","0.002","91.359","0.002","106.942","0.002","1844.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N4 O11 -","- C34 H30 Cu2 N4 O11 -","- C68 H60 Cu4 N8 O22 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0446","0.0347","","","0.1043","0.1082","","","","","","1.119","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211397","9.8628","0.0006","18.1938","0.0011","15.8811","0.0009","90","","106.858","0.001","90","","2727.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O7 -","- C26 H26 Co N4 O7 -","- C104 H104 Co4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0369","0.0298","","","0.0783","0.081","","","","","","1.038","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211398","9.9566","0.0005","18.2591","0.0009","15.6736","0.0008","90","","107.467","0.001","90","","2718.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0306","0.0262","","","0.0702","0.072","","","","","","1.042","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211399","9.7361","0.0006","18.0736","0.0012","16.1041","0.001","90","","105.956","0.001","90","","2724.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O7 Zn -","- C26 H26 N4 O7 Zn -","- C104 H104 N16 O28 Zn4 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0382","0.0295","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211400","10.1518","0.0006","11.2296","0.0007","12.6969","0.0007","86.471","0.001","79.731","0.001","66.137","0.001","1302.43","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cd N4 O7 -","- C26 H26 Cd N4 O7 -","- C52 H52 Cd2 N8 O14 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0261","0.0234","","","0.0561","0.0572","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211401","10.1198","0.0012","10.1243","0.0012","13.32","0.0016","99.284","0.002","99.883","0.002","109.078","0.002","1235.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N4 O6 -","- C26 H24 Cd N4 O6 -","- C52 H48 Cd2 N8 O12 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0313","0.0264","","","0.0634","0.0655","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211402","10.5554","0.0008","22.6863","0.0018","12.4204","0.001","90","","100.712","0.001","90","","2922.4","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C48 H32 Ag12 K4 N40 O80 P2 W24 -","2","0.5","","Sun, Jingwen; Li, Mengting; Sha, Jingquan; Yan, Pengfei; Wang, Cheng; Li, Shuxian; Pan, Yang","Assembly of the first polyoxometalate-based hybrid with [ring+helix] channels and photocatalytic activity","CrystEngComm","2013","15","48","10584","","10.1039/c3ce41518j","","","0.71073","MoKα","","0.0817","0.0582","","","0.1408","0.1532","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211403","10.8996","0.0004","19.1551","0.0006","29.1067","0.001","90","","90","","90","","6077","0.4","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","4-phenyl-1,2,3,5-dithiadiazolyl- 4-(4'-perfluoropyridyl)-1,2,3,5-dithiadiazolyl co-crystal","","","- C13 H5 F4 N5 S4 -","- C13 H5 F4 N5 S4 -","- C208 H80 F64 N80 S64 -","16","2","","Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M.","Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2013","15","47","10205","","10.1039/c3ce41519h","","","1.54178","CuKα","","0.0243","0.0237","","","0.0658","0.0662","","","","","","1.096","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211404","9.225","0.004","30.478","0.013","8.366","0.003","90","","90","","90","","2352.2","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H10 Cu2 N2 O8 S2 -","- C15 H10 Cu2 N2 O8 S2 -","- C60 H40 Cu8 N8 O32 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.1473","0.0922","","","0.2165","0.2392","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211405","9.7573","0.001","16.7259","0.0017","10.2055","0.001","90","","95.508","0.002","90","","1657.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cu N2 O7 S2 -","- C14 H11 Cu N2 O7 S2 -","- C56 H44 Cu4 N8 O28 S8 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.127","0.0455","","","0.0568","0.0685","","","","","","0.754","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211406","14.86","0.003","30.778","0.005","11.919","0.002","90","","95.102","0.003","90","","5429.7","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu N4 O7 S4 -","- C22 H16 Cu N4 O7 S4 -","- C176 H128 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.0983","0.061","","","0.1538","0.1782","","","","","","0.846","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211407","10.01","0.004","24.79","0.009","9.343","0.003","90","","113.657","0.007","90","","2123.6","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O10 S2 -","- C12 H8 Cu N2 O10 S2 -","- C48 H32 Cu4 N8 O40 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.2339","0.0768","","","0.193","0.2848","","","","","","0.985","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211408","19.662","0.007","13.469","0.004","19.049","0.007","90","","119.676","0.004","90","","4383","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Cl2 Co N4 O4.5 -","- C19 H18 Cl2 Co N4 O4.5 -","- C152 H144 Cl16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0789","0.0672","","","0.176","0.1874","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211409","9.911","0.003","10.115","0.003","12.281","0.004","83.369","0.014","67.12","0.012","69.755","0.012","1064","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cd Cl2 N4 O4 -","- C19 H18 Cd Cl2 N4 O4 -","- C38 H36 Cd2 Cl4 N8 O8 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0826","0.0576","","","0.1604","0.2407","","","","","","1.004","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211410","20.3721","0.0008","9.4647","0.0002","17.2551","0.0007","90","","97.434","0.003","90","","3299.1","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H38 Cd N8 O6 -","- C30 H38 Cd N8 O6 -","- C120 H152 Cd4 N32 O24 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.056","0.0387","","","0.109","0.1457","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211411","12.412","0.005","16.372","0.007","31.497","0.013","90","","90","","90","","6400","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H17 Cu N4 O4 -","- C16 H17 Cu N4 O4 -","- C256 H272 Cu16 N64 O64 -","16","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0454","0.0364","","","0.1247","0.1379","","","","","","1.007","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211412","21.489","0.003","7.1038","0.0008","23.022","0.004","90","","92.15","0.013","90","","3511.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Co N4 O5 -","- C16 H19 Co N4 O5 -","- C128 H152 Co8 N32 O40 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1248","0.1434","","","","","","1.014","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211413","12.3734","0.0002","11.2005","0.0002","15.8979","0.0003","90","","109.179","0.002","90","","2080.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Mn N5 O7 -","- C19 H21 Mn N5 O7 -","- C76 H84 Mn4 N20 O28 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.05","0.0462","","","0.1315","0.1342","","","","","","1.031","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211414","6.9774","0.0002","10.7434","0.0005","11.8115","0.0004","103.704","0.003","102.664","0.003","103.066","0.003","802.36","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N2 -","- C16 H10 Br2 F4 N2 -","- C32 H20 Br4 F8 N4 -","2","1","","Arcus, Vickery L.; Bernstein, Daniel R.; Crombie, Cameron W.; Saunders, Graham C.","Infinite stacking of alternating polyfluoroaryl rings and bromide anions","CrystEngComm","2013","15","46","9841","","10.1039/c3ce41582a","","","1.54184","CuKα","","0.0457","0.045","","","0.1469","0.1473","","","","","","1.147","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211415","22.718","0.0013","11.7263","0.0004","22.8679","0.0012","90","","118.173","0.007","90","","5370.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Li N10 O7 Tb -","- C60 H50.409 Li N10 O7 Tb -","- C240 H201.636 Li4 N40 O28 Tb4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0745","0.0487","","","0.128","0.1393","","","","","","1.045","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211416","8.3","0.0007","28.445","0.0003","18.869","0.0006","90","","90","","90","","4454.8","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 Na O5 Tb -","- C55 H38 N10 Na O5 Tb -","- C220 H152 N40 Na4 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.0372","0.0273","","","0.0615","0.0651","","","","","","1.092","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211417","8.4313","0.0003","28.1513","0.001","18.9773","0.0006","90","","90","","90","","4504.3","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 K N10 O5 Tb -","- C55 H38 K N10 O5 Tb -","- C220 H152 K4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.073","0.0451","","","0.0736","0.0798","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211418","8.4628","0.0005","28.0868","0.0009","19.0589","0.0007","90","","90","","90","","4530.2","0.3","150","1","150","1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 O5 Rb Tb -","- C55 H38 N10 O5 Rb Tb -","- C220 H152 N40 O20 Rb4 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.1025","0.0543","","","0.0788","0.0906","","","","","","0.944","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211419","8.0865","0.0002","28.952","0.0012","19.304","0.0005","90","","90","","90","","4519.5","0.2","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H34 Cs N10 O5 Tb -","- C55 H34 Cs N10 O5 Tb -","- C220 H136 Cs4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0588","0.0417","","","0.1086","0.1154","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211420","13.1038","0.0003","32.3516","0.0006","15.5736","0.0004","90","","105.086","0.002","90","","6374.6","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 N13 O10 Tb Zn -","- C70 H60 N13 O10 Tb Zn -","- C280 H240 N52 O40 Tb4 Zn4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.1119","0.0666","","","0.145","0.1619","","","","","","0.977","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211421","9.7536","0.0012","11.3569","0.0017","15.934","0.003","90","","107.79","0.011","90","","1680.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N3 O7 Zn -","- C15 H16 N3 O7 Zn -","- C60 H64 N12 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0446","0.0338","","","0.0747","0.08","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211422","16.031","0.003","7.3539","0.0008","13.9631","0.0007","90","","109.457","0.007","90","","1552.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O5 Zn -","- C15 H12 N3 O5 Zn -","- C60 H48 N12 O20 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0344","0.0273","","","0.0685","0.0727","","","","","","1.063","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211423","12.0604","0.0013","9.1735","0.001","17.818","0.003","90","","100.645","0.012","90","","1937.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N3 O10 Zn -","- C15 H22 N3 O10 Zn -","- C60 H88 N12 O40 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0436","0.0338","","","0.0833","0.0885","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211424","10.524","0.0004","11.2622","0.0005","12.3561","0.0005","72.554","0.002","74.971","0.002","83.246","0.002","1348.07","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cd N5 O11 -","- C23 H25 Cd N5 O11 -","- C46 H50 Cd2 N10 O22 -","2","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0277","0.0238","","","0.0624","0.0652","","","","","","1.029","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211425","11.6305","0.0017","15.905","0.003","13.6118","0.0015","90","","95.368","0.014","90","","2506.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N4 O8 Zn -","- C25 H22 N4 O8 Zn -","- C100 H88 N16 O32 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0451","0.0312","","","0.0684","0.0739","","","","","","1.049","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211426","11.3111","0.0002","13.8834","0.0003","16.8506","0.0003","90","","99.992","0.001","90","","2606.02","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cd N4 O10 -","- C25 H26 Cd N4 O10 -","- C100 H104 Cd4 N16 O40 -","4","2","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.1255","0.0579","","","0.0658","0.0806","","","","","","0.993","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211427","11.5273","0.0001","9.0488","0.0001","18.0697","0.0002","90","","97.707","0.001","90","","1867.79","0.03","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H17 Cd N2 O9 -","- C17 H16 Cd N2 O9 -","- C68 H64 Cd4 N8 O36 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0326","0.0253","","","0.0602","0.0634","","","","","","1.048","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211428","6.0834","0.0009","20.891","0.002","16.21","0.002","90","","94.148","0.012","90","","2054.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O11 Zn1.5 -","- C17 H14 N2 O11 Zn1.5 -","- C68 H56 N8 O44 Zn6 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0718","0.0421","","","0.095","0.1077","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211429","9.5341","0.0007","9.9276","0.0007","11.9991","0.0009","88.762","0.003","77.544","0.003","85.953","0.003","1106.2","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","1","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0297","0.0294","","","0.0808","0.0813","","","","","","1.1","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211430","9.1507","0.0008","15.0173","0.0012","10.8775","0.0009","90","","102.155","0.003","90","","1461.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H27 Cu N5 O12 U -","- C23 H27 Cu N5 O12 U -","- C46 H54 Cu2 N10 O24 U2 -","2","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1162","","","","","","1.041","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211431","14.195","0.0015","14.5483","0.0015","15.8562","0.0016","64.927","0.004","74.116","0.004","63.15","0.004","2632.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H51 Cu2 N9 O19 U -","- C48 H51 Cu2 N9 O19 U -","- C96 H102 Cu4 N18 O38 U2 -","2","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0583","0.0398","","","0.1099","0.1261","","","","","","1.005","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211432","14.6991","0.0017","16.299","0.002","23.209","0.003","90","","96.525","0.005","90","","5524.4","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cu N5 O18 U2 -","- C18 H19 Cu N5 O18 U2 -","- C144 H152 Cu8 N40 O144 U16 -","8","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0949","0.0434","","","0.0867","0.1076","","","","","","1.011","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211433","12.493","0.0017","10.3764","0.0014","18.9139","0.0018","90","","121.136","0.006","90","","2098.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0729","0.0448","","","0.0997","0.1117","","","","","","1.023","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211434","13.4533","0.0005","9.833","0.0004","22.8428","0.0009","90","","93.222","0.005","90","","3017","0.2","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H12 F2 O3 -","- C19 H12 F2 O3 -","- C152 H96 F16 O24 -","8","4","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0341","0.0332","","","0.0909","0.0922","","","","","","1.016","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211435","7.3019","0.0006","10.2526","0.0009","13.043","0.001","94.613","0.007","103.996","0.007","110.709","0.008","871.3","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0744","0.0497","","","0.1161","0.1323","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211436","6.9778","0.0003","11.1289","0.0005","11.5383","0.0005","96.213","0.003","98.252","0.004","93.542","0.004","878.8","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0853","0.048","","","0.1007","0.1134","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211437","5.6775","0.0003","30.6798","0.0009","9.5451","0.0004","90","","105.898","0.004","90","","1599.02","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F2 N2 O2 -","- C19 H14 F2 N2 O2 -","- C76 H56 F8 N8 O8 -","4","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0426","0.0401","","","0.1058","0.1084","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211438","13.4187","0.0006","9.2108","0.0004","23.0093","0.0009","90","","94.022","0.004","90","","2836.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O4 -","- C17 H15 N2 O4 -","- C136 H120 N16 O32 -","8","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1124","0.0556","","","0.1224","0.1397","","","","","","1.04","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211439","8.1505","0.0006","8.9476","0.0008","16.1219","0.0012","75.732","0.007","85.986","0.006","77.938","0.007","1114.09","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 N2 O8 -","- C21 H30 N2 O8 -","- C42 H60 N4 O16 -","2","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1434","0.0574","","","0.1052","0.1345","","","","","","0.972","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211440","9.2171","0.0008","13.7702","0.001","16.1954","0.0014","78.083","0.007","79.755","0.007","81.159","0.007","1964.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N2 O6.5 -","- C21 H25 N2 O6.5 -","- C84 H100 N8 O26 -","4","2","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.3463","0.0984","","","0.1469","0.2268","","","","","","0.913","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211441","16.0482","0.0016","6.7332","0.0006","14.503","0.0019","90","","100.002","0.012","90","","1543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O12 -","- C32 H36 N4 O12 -","- C64 H72 N8 O24 -","2","0.5","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1919","0.0642","","","0.0997","0.1411","","","","","","0.958","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211442","7.0586","0.0004","11.6096","0.0004","12.8621","0.0007","90","","92.413","0.005","90","","1053.08","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0443","0.0387","","","0.0958","0.0993","","","","","","1.068","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211443","8.0568","0.001","10.3125","0.001","16.0151","0.0016","98.594","0.008","94.875","0.009","93.583","0.009","1307.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","1","0.5","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0931","0.053","","","0.1122","0.1285","","","","","","1.015","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211444","5.5732","0.0006","5.5732","0.0006","25.339","0.004","90","","90","","120","","681.6","0.15","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0387","0.0347","","","0.07","0.0717","","","","","","1.23","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211445","5.5379","0.0002","5.5379","0.0002","25.931","0.002","90","","90","","120","","688.72","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0521","0.0512","","","0.0968","0.0972","","","","","","1.391","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211446","5.584","0.0002","5.584","0.0002","25.991","0.002","90","","90","","120","","701.85","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Co4 H2 I4 K4 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0279","0.027","","","0.0689","0.0697","","","","","","1.212","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211447","10.0459","0.0002","11.4179","0.0003","15.4175","0.0003","90","","90","","90","","1768.43","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Bi N3 O4 S2 -","- C14 H14 Bi N3 O4 S2 -","- C56 H56 Bi4 N12 O16 S8 -","4","1","","Sun, Yan-Qiong; Ge, Su-Zhi; Liu, Qi; Zhong, Jie-Cen; Chen, Yi-Ping","A novel 3-D chiral bismuth‒organic framework with mixed carboxylate, pyridine and thiolate donors exhibiting a semiconductive property","CrystEngComm","2013","15","47","10188","","10.1039/c3ce41696h","","","0.71073","MoKα","","0.0364","0.0277","","","0.0547","0.058","","","","","","1.017","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211448","9.2244","0.0013","12.2312","0.0017","14.169","0.002","85.858","0.002","73.698","0.002","75.367","0.002","1484.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N6 O7 -","- C33 H30 N6 O7 -","- C66 H60 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0787","0.0618","","","0.1429","0.153","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211449","9.24","0.004","12.251","0.005","14.291","0.006","85.662","0.007","74.595","0.006","75.064","0.006","1506.9","1.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N6 O7 -","- C34 H32 N6 O7 -","- C68 H64 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.09","0.0686","","","0.2084","0.2248","","","","","","1.085","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211450","9.0028","0.0007","12.1877","0.0009","14.2782","0.001","82.971","0.001","76.802","0.001","76.409","0.001","1478.65","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O7 -","- C32 H28 N6 O7 -","- C64 H56 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0817","0.0622","","","0.1621","0.1733","","","","","","1.065","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211451","10.593","0.004","13.595","0.005","13.825","0.005","116.453","0.005","102.398","0.007","100.412","0.006","1651.7","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N6 O7 S -","- C34 H32 N6 O7 S -","- C68 H64 N12 O14 S2 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1355","0.0812","","","0.2056","0.2365","","","","","","0.998","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211452","8.981","0.0009","12.4978","0.0012","20.847","0.002","84.296","0.002","78.149","0.002","76.41","0.002","2222.7","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H46 N6 O9 -","- C51 H46 N6 O9 -","- C102 H92 N12 O18 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0796","0.0681","","","0.1556","0.1626","","","","","","1.104","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211453","9.118","0.003","12.291","0.004","20.327","0.006","82.842","0.006","79.34","0.006","75.048","0.005","2155.8","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N6 O8 -","- C48 H38 N6 O8 -","- C96 H76 N12 O16 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1649","0.1185","","","0.2315","0.2539","","","","","","1.158","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211454","8.6103","0.0013","31.467","0.005","16.826","0.003","90","","103.106","0.003","90","","4440.1","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 N7 O7 -","- C51 H41 N7 O7 -","- C204 H164 N28 O28 -","4","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0687","0.0472","","","0.1312","0.1528","","","","","","1.051","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211455","16.411","0.003","13.323","0.003","15.828","0.003","90","","98.087","0.003","90","","3426.3","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Dy Fe N11 O6 -","- C27 H33 Dy Fe N11 O6 -","- C108 H132 Dy4 Fe4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0278","0.0221","","","0.0521","0.0546","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211456","16.362","0.002","13.2326","0.0017","15.67","0.002","90","","98.246","0.002","90","","3357.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Co Dy N11 O6 -","- C27 H33 Co Dy N11 O6 -","- C108 H132 Co4 Dy4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0877","0.0429","","","0.0719","0.0813","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211457","10.2315","0.0017","13.364","0.002","13.475","0.002","94.491","0.002","111.353","0.002","101.917","0.002","1655","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0355","0.0299","","","0.0837","0.1024","","","","","","1.129","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211458","10.179","0.002","13.196","0.003","13.425","0.003","93.782","0.004","111.077","0.002","102.158","0.003","1624.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0304","0.026","","","0.0806","0.1027","","","","","","1.228","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211459","15.8147","0.0005","18.6849","0.0006","21.3439","0.0007","75.3559","0.0015","88.6776","0.0015","68.4075","0.0014","5656.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H74 B2 F48 Se12 -","- C100 H74 B2 F48 Se12 -","- C200 H148 B4 F96 Se24 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0507","0.0359","","","0.0835","0.0909","","","","","","1.028","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211460","14.3266","0.0008","14.8667","0.0009","20.0581","0.0011","90","","90","","90","","4272.2","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H28 B F24 N2 -","- C42 H28 B F24 N2 -","- C168 H112 B4 F96 N8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0556","0.0477","","","0.1226","0.1284","","","","","","1.041","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211461","15.022","0.012","32.94","0.03","13.667","0.01","90","","109.008","0.01","90","","6394","9","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H36 B F24 -","- C72 H36 B F24 -","- C288 H144 B4 F96 -","4","0.5","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0907","0.0555","","","0.144","0.1582","","","","","","1.071","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211462","16.96","0.004","32.662","0.007","14.213","0.003","90","","100.821","0.006","90","","7733","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 B F24 -","- C76 H64 B F24 -","- C304 H256 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1431","0.0698","","","0.1748","0.2007","","","","","","0.934","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211463","12.8081","0.0003","13.7618","0.0004","13.8612","0.0004","109.975","0.0013","90.7942","0.0013","97.8496","0.0013","2269.9","0.11","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 S4 -","- C42 H24 B F24 S4 -","- C84 H48 B2 F48 S8 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0676","0.0424","","","0.096","0.1086","","","","","","1.035","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211464","16.355","0.004","33.297","0.009","14.053","0.004","90","","103.984","0.005","90","","7426","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 B F24 -","- C72 H60 B F24 -","- C288 H240 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1461","0.0752","","","0.1949","0.2202","","","","","","0.988","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211465","13.058","0.002","15.975","0.003","21.315","0.004","90","","93.417","0.004","90","","4438.4","1.4","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H18 B Cl2 F24 S4 -","- C39 H18 B Cl2 F24 S4 -","- C156 H72 B4 Cl8 F96 S16 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1231","0.0648","","","0.144","0.1732","","","","","","1.016","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211466","14.6567","0.0003","14.6567","0.0003","14.6567","0.0003","90","","90","","90","","3148.54","0.11","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C16 H36 I6 N4 Pb -","- C16 H35.88 I6 N4 Pb -","- C64 H143.52 I24 N16 Pb4 -","4","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0296","0.0296","","","0.076","0.076","","","","","","1.341","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211467","9.3555","0.0006","20.2788","0.0012","14.7688","0.001","90","","126.541","0.004","90","","2251.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 I10 N4 Pb3 -","- C20 H44 I10 N4 Pb3 -","- C40 H88 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0371","0.0298","","","0.0588","0.0609","","","","","","0.948","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211468","10.839","0.004","20.008","0.006","12.216","0.004","90","","110.346","0.003","90","","2484","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 I10 N4 Pb3 -","- C24 H52 I10 N4 Pb3 -","- C48 H104 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0599","0.0511","","","0.1383","0.1463","","","","","","1.108","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211469","10.1927","0.0004","10.1927","0.0004","14.8276","0.001","90","","90","","120","","1334.07","0.12","293","2","293","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C6 H18 I6 N2 O Pb -","- C6 H14 I6 N2 O Pb -","- C12 H28 I12 N4 O2 Pb2 -","2","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0297","0.0294","","","0.0791","0.0792","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211470","15.5866","0.0006","32.6596","0.0015","9.4273","0.0004","90","","90","","90","","4799","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H82 I24 N10 Pb7 -","- C36 H82 I24 N10 Pb7 -","- C72 H164 I48 N20 Pb14 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0323","0.0277","","","0.0425","0.0442","","","","","","0.886","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211471","9.1225","0.0011","22.378","0.003","15.398","0.002","90","","95.343","0.002","90","","3129.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 I12 N4 O Pb4 -","- C40 H54 I12 N4 O Pb4 -","- C80 H108 I24 N8 O2 Pb8 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0257","0.0219","","","0.0439","0.0448","","","","","","0.951","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211472","9.9838","0.0004","19.7383","0.0008","19.7279","0.0009","90","","106.96","0.003","90","","3718.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Co N6 O4 -","- C44 H28 Co N6 O4 -","- C176 H112 Co4 N24 O16 -","4","1","","Yang, Juan; Liu, Junliang; Wang, Xin; Chi, Xiaolin; Zhang, Jinling; Zhang, Huayi; Xiao, Dongrong; Luo, Qunli","An unusual 3D 8-connected entangled coordination network with coexistence of self-threading, polythreading and interpenetration","CrystEngComm","2013","15","48","10435","","10.1039/c3ce41727a","","","0.71073","MoKα","","0.1663","0.0611","","","0.0887","0.1083","","","","","","1.117","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211473","21.96","0.004","7.655","0.0015","6.167","0.0012","90","","91.47","0.03","90","","1036.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0654","0.0655","","","","","","1.061","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211474","21.963","0.004","7.6577","0.0015","6.1689","0.0012","90","","91.48","0.03","90","","1037.2","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0652","0.0654","","","","","","1.09","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211475","7.6439","0.0015","22.013","0.004","6.1556","0.0012","90","","90","","90","","1035.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0399","0.0382","","","0.0629","0.0638","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211476","7.6486","0.0015","22.019","0.004","6.155","0.0012","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0493","0.0495","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211477","5.9704","0.0012","23.888","0.005","10.792","0.002","90","","105.03","0.03","90","","1486.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Ce2 O17 S2 -","- C4 H10 Ce2 O17 S2 -","- C16 H40 Ce8 O68 S8 -","4","1","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0433","0.0346","","","0.0702","0.0733","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211478","11.03","0.002","13.57","0.003","13.623","0.003","90","","113.4","0.03","90","","1871.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cu2 N8 O14 -","- C40 H32 Cu2 N8 O14 -","- C80 H64 Cu4 N16 O28 -","2","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","1.5418","CuKα","","0.0548","0.0379","","","0.0903","0.1005","","","","","","1.036","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211479","13.5402","0.0008","11.3945","0.0007","16.0434","0.0009","90","","90","","90","","2475.2","0.3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C21 H17 Cu N4 O7 S -","- C21 H17 Cu N4 O7 S -","- C84 H68 Cu4 N16 O28 S4 -","4","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","0.71073","MoKα","","0.0777","0.0484","","","0.1289","0.1578","","","","","","0.816","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211480","22.9907","0.0019","22.9907","0.0019","22.9907","0.0019","90","","90","","90","","12152.2","1.7","200","2","200","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C144 H240 K24 N48 O248 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.7107","MoKα","","0.0614","0.06","","","0.1658","0.171","","","","","","1.113","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211481","23.6018","0.0003","26.1777","0.0005","28.6623","0.0005","90","","90","","90","","17708.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C240 H528 N96 O360 Rh32 S96 Zn32 -","4","1","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.71075","MoKα","","0.0796","0.0574","","","0.1147","0.1254","","","","","","1.082","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211482","5.178","0.004","7.208","0.005","8.889","0.007","90","","100.84","0.009","90","","325.8","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0457","","","","0.1166","","","","","","1.118","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211483","5.0908","0.0008","8.6939","0.0012","7.73","0.0014","90","","107.141","0.008","90","","326.93","0.09","249","","249","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0255","","","","0.064","","","","","","1.183","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211484","19.392","0.012","7.228","0.005","9.387","0.006","90","","90","","90","","1315.7","1.5","273","2","273","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0567","0.052","","","0.1593","0.162","","","","","","1.14","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211485","7.1654","0.0003","18.5414","0.0008","10.8922","0.0005","90","","90","","90","","1447.1","0.11","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O5 -","- C14 H11 Co N O5 -","- C56 H44 Co4 N4 O20 -","4","0.5","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0276","0.0255","","","0.0647","0.0656","","","","","","1.081","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211486","13.9309","0.0004","13.9309","0.0004","27.6863","0.0012","90","","90","","120","","4653.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H15 N15 O15 Zn9 -","- C12 H15 N15 O15 Zn9 -","- C72 H90 N90 O90 Zn54 -","6","1","","Wen, Jiong; Yang, Xiao-Gang; Guo, Wei; Liu, Chun-Sen; Du, Miao","A unique 3-D (3,18)-connected coordination framework based on a new type of {Zn18} double-stranded metallacrown","CrystEngComm","2013","15","47","10171","","10.1039/c3ce41828f","","","0.71073","MoKα","","0.0879","0.0557","","","0.1875","0.2221","","","","","","1.052","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211487","13.4158","0.0004","21.8551","0.0006","14.4779","0.0004","90","","92.291","0.003","90","","4241.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H72 Cd3 O20 P2 -","- C104 H72 Cd3 O20 P2 -","- C208 H144 Cd6 O40 P4 -","2","0.5","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0557","0.0352","","","0.0883","0.0984","","","","","","0.801","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211488","15.1394","0.0007","16.567","0.0007","17.868","0.0007","95.399","0.003","97.074","0.003","102.332","0.004","4311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cd3 N O20 -","- C72 H68 Cd3 N O20 -","- C144 H136 Cd6 N2 O40 -","2","1","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0992","0.0831","","","0.2448","0.2624","","","","","","1.143","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211489","23.8424","0.0005","14.7858","0.0003","7.6296","0.0002","90","","90","","90","","2689.65","0.11","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H23 Cd2 N9 O15 S2 -","- C15 H23 Cd2 N9 O15 S2 -","- C60 H92 Cd8 N36 O60 S8 -","4","0.5","","Safin, Damir A.; Xu, Yang; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation","CrystEngComm","2013","15","48","10419","","10.1039/c3ce42146e","","","0.71073","MoKα","","0.0266","0.0219","","","0.0569","0.0594","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211500","17.142","0.003","12.882","0.003","6.9096","0.0014","90","","93.74","0.03","90","","1522.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O6 Sm -","- C17 H11 O6 Sm -","- C68 H44 O24 Sm4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0247","0.0221","","","0.0518","0.054","","","","","","1.093","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211501","17.138","0.003","12.861","0.003","6.8991","0.0014","90","","93.74","0.03","90","","1517.4","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Eu O6 -","- C17 H11 Eu O6 -","- C68 H44 Eu4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0252","0.0231","","","0.0553","0.0564","","","","","","1.033","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211502","17.125","0.003","12.821","0.003","6.8828","0.0014","90","","93.58","0.03","90","","1508.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Gd O6 -","- C17 H11 Gd O6 -","- C68 H44 Gd4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0327","0.0301","","","0.0725","0.0741","","","","","","1.013","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211503","17.106","0.003","12.758","0.003","6.8875","0.0014","90","","93.57","0.03","90","","1500.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O6 Tb -","- C17 H11 O6 Tb -","- C68 H44 O24 Tb4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0469","0.0356","","","0.0784","0.0843","","","","","","1.023","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211504","17.06","0.003","12.622","0.003","6.8426","0.0014","90","","93.46","0.03","90","","1470.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Er O6 -","- C17 H11 Er O6 -","- C68 H44 Er4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0246","0.0231","","","0.0585","0.0595","","","","","","1.024","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211505","16.1997","0.0011","12.1675","0.0006","7.4866","0.0004","90","","101.014","0.002","90","","1448.5","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Eu O6 -","- C17 H11 Eu O6 -","- C68 H44 Eu4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0587","0.0578","","","0.1932","0.1949","","","","","","1.062","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211506","19.867","0.004","5.4816","0.0011","20.025","0.004","90","","108.56","0.03","90","","2067.4","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 La O8 -","- C24 H19 La O8 -","- C96 H76 La4 O32 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0289","0.0238","","","0.0546","0.0564","","","","","","1.076","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211507","7.4342","0.0015","8.7266","0.0017","16.572","0.003","82.87","0.03","88.85","0.03","71.41","0.03","1010.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O8 Tb -","- C24 H19 O8 Tb -","- C48 H38 O16 Tb2 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0368","0.0321","","","0.0744","0.0902","","","","","","1.122","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211508","24.044","0.008","14.343","0.004","16.688","0.005","90","","100.552","0.004","90","","5658","3","243.1","","243.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Fe2 N21 Ni3 O6 -","- C30 H50 Fe2 N21 Ni3 O6 -","- C120 H200 Fe8 N84 Ni12 O24 -","4","0.5","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0628","","","","0.2049","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211509","7.844","0.018","14.31","0.03","12.96","0.03","90","","90.07","0.03","90","","1455","6","343.1","","343.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cr Mn N8 -","- C10 H13 Cr Mn N8 -","- C40 H52 Cr4 Mn4 N32 -","4","1","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0984","","","","0.1368","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211510","7.68","0.003","14.499","0.005","16.596","0.005","90","","97.323","0.005","90","","1832.9","1.1","243.1","","243.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cr Mn N8 O2 -","- C10 H17 Cr Mn N8 O2 -","- C40 H68 Cr4 Mn4 N32 O8 -","4","1","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0647","","","","0.0955","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211511","18.268","0.009","15.504","0.008","15.428","0.009","102.53","0.01","113.29","0.02","99.97","0.01","3751","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","cyclomaltoheptaose + 3-ethyl-4-methyl-N-(2-(4-((4- methylcyclohexyl)carbamoyl sulfamoyl)phenyl)ethyl) sulfamoyl)phenyl)ethyl)-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","cyclomaltoheptaose + 3-ethyl-4-methyl-N-[2-[4- [(4-methylcyclohexyl)carbamoyl sulfamoyl]phenyl]ethyl] sulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","1","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1069","0.0856","","","0.2279","0.2528","","","","","","1.126","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211512","19.225","0.011","24.547","0.014","15.708","0.009","90","","109.65","0.02","90","","6981","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","","- C190 H216.64 N4 O179.08 S2 -","- C47.5 H54.16 N O44.78 S0.5 -","- C190 H216.64 N4 O179.12 S2 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1526","0.0973","","","0.2387","0.2951","","","","","","1.067","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211513","18.497","0.005","24.186","0.006","15.336","0.006","90","0.04","111.13","0.03","90","0.03","6400","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3-(p- toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3- (p-toluenesulfonyl)urea inclusion complex","","- C188.52 H206.8 N4.56 O174.48 S1.52 -","- C47.13 H51.7 N1.14 O43.62 S0.38 -","- C188.52 H206.8 N4.56 O174.48 S1.52 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","0.8015","SYNCHROTRON","","0.079","0.0784","","","0.2183","0.2199","","","","","","1.24","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211514","21.6476","0.0012","8.0624","0.0004","17.599","0.0009","90","","103.582","0.003","90","","2985.7","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Ag5 N9 O15 -","- C20 H16 Ag5 N9 O15 -","- C80 H64 Ag20 N36 O60 -","4","0.5","","Pramanik, Avijit; Das, Gopal","Precursory Ag-bipyridine 2D coordination polymer: a new and efficient route for the synthesis of Ag nanoparticles","CrystEngComm","2010","12","2","401","","10.1039/b908446k","","","0.71073","MoKα","","0.039","0.0364","","","0.09","0.0915","","","","","","1.214","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211515","6.4228","0.0003","8.6856","0.0004","16.7228","0.0008","90","","101.002","0.006","90","","915.75","0.08","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O2 -","- C9 H8 Cl N O2 -","- C36 H32 Cl4 N4 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0454","","","","0.1457","","","","","","1.101","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211516","8.8242","0.0005","11.6495","0.0013","12.8506","0.0012","90","","104.574","0.006","90","","1278.5","0.2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0365","","","","0.0983","","","","","","1.035","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211517","8.5903","0.0001","9.1128","0.0001","9.3181","0.0001","90","","105.736","0.001","90","","702.098","0.014","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl2 N2 O4 -","- C10 H16 Cl2 N2 O4 -","- C20 H32 Cl4 N4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0384","","","","0.1088","","","","","","1.109","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211518","7.1312","0.0001","11.8937","0.0001","15.3644","0.0002","90","","103.206","0.001","90","","1268.69","0.03","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C48 H36 Cl8 N4 O16 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0337","","","","0.1005","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211519","7.5343","0.0003","9.1981","0.0004","9.7929","0.0005","101.951","0.004","103.166","0.004","98.562","0.004","632.66","0.05","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C24 H18 Cl4 N2 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0362","","","","0.1055","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211520","7.6088","0.0008","10.3187","0.0006","13.2129","0.001","90","","97.033","0.008","90","","1029.58","0.15","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O2 -","- C9 H9 Cl2 N O2 -","- C36 H36 Cl8 N4 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0485","","","","0.1328","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211521","4.214","0.0001","19.9252","0.0004","13.3364","0.0003","90","","98.591","0.002","90","","1107.22","0.04","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl2 N O3 -","- C9 H11 Cl2 N O3 -","- C36 H44 Cl8 N4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","","1.54184","CuKα","","","0.0279","","","","0.0736","","","","","","1.055","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211522","4.9601","0.0002","8.499","0.0004","16.415","0.0007","88.135","0.004","84.817","0.003","88.068","0.004","688.47","0.05","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 N Na O5 -","- C12 H10 Cl2 N Na O5 -","- C24 H20 Cl4 N2 Na2 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0318","","","","0.0907","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211523","9.575","0.005","28.271","0.005","15.831","0.005","90","0.005","99.42","0.005","90","0.005","4228","3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C128 H144 Cl32 N16 O64 -","16","4","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","","1.5418","CuKα","","","0.0413","","","","0.1194","","","","","","1.029","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211524","8.7169","0.0004","8.7529","0.0004","15.8026","0.0006","85.44","0.003","75.118","0.004","66.352","0.004","1067.04","0.09","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C32 H36 Cl8 N4 O16 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0623","","","","0.1869","","","","","","1.077","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211525","13.1988","0.0005","8.9661","0.0003","30.9737","0.0009","90","","95.401","0.003","90","","3649.2","0.2","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cl2 N2 O7 -","- C17 H16 Cl2 N2 O7 -","- C136 H128 Cl16 N16 O56 -","8","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0582","","","","0.1567","","","","","","1.015","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211526","30.417","0.004","6.7259","0.0002","25.341","0.004","90","","145.35","0.03","90","","2948","2","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Cl N3 O7 -","- C9 H20 Cl N3 O7 -","- C72 H160 Cl8 N24 O56 -","8","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.036","","","","0.109","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211527","11.328","0.004","12.873","0.004","14.424","0.005","90","","101.925","0.006","90","","2058","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Co N4 O8 -","- C18 H25 Co N4 O8 -","- C72 H100 Co4 N16 O32 -","4","1","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0436","0.038","","","0.1124","0.1148","","","","","","1.007","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211528","11.77","0.002","13.743","0.003","12.618","0.002","90","","97.437","0.003","90","","2023.9","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H76 Co4 N16 O20 -","- C72 H76 Co4 N16 O20 -","- C72 H76 Co4 N16 O20 -","1","0.25","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0788","0.0565","","","0.0985","0.1034","","","","","","1.193","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211529","12.6067","0.001","25.993","0.002","14.199","0.0011","90","","107.713","0.002","90","","4432.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co2 N8 O11 -","- C36 H40 Co2 N8 O11 -","- C144 H160 Co8 N32 O44 -","4","1","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0845","0.0634","","","0.1478","0.1547","","","","","","1.087","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211530","9.3106","0.0019","11.023","0.002","20.395","0.006","90","","107.92","0.03","90","","1991.6","0.9","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Co N4 O4 -","- C22 H17 Co N4 O4 -","- C88 H68 Co4 N16 O16 -","4","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.1924","0.0672","","","0.1081","0.1404","","","","","","0.909","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211531","23.795","0.005","10.089","0.002","17.189","0.003","90","","111.31","0.03","90","","3844.4","1.5","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 Ni O5 -","- C18 H19 N4 Ni O5 -","- C144 H152 N32 Ni8 O40 -","8","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0749","0.0492","","","0.1214","0.1348","","","","","","1.039","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211532","23.288","0.005","10.373","0.002","17.348","0.004","90","","108.92","0.03","90","","3964.3","1.6","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N4 Ni O4 -","- C20 H21 N4 Ni O4 -","- C160 H168 N32 Ni8 O32 -","8","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0949","0.0559","","","0.1305","0.1472","","","","","","1.034","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211533","7.213","0.0014","12.08","0.002","12.795","0.003","73.96","0.03","84.82","0.03","88.36","0.03","1067.1","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N4 Ni O9 -","- C18 H23 N4 Ni O9 -","- C36 H46 N8 Ni2 O18 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.077","0.0504","","","0.1006","0.1164","","","","","","1.042","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211534","9.658","0.0019","10.131","0.002","10.721","0.002","84.56","0.03","64.35","0.03","71.02","0.03","892.9","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N4 O5 Zn -","- C18 H17 N4 O5 Zn -","- C36 H34 N8 O10 Zn2 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0846","0.0521","","","0.1225","0.1353","","","","","","1.066","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211535","8.6752","0.0017","11.569","0.002","11.626","0.002","65.46","0.03","68.83","0.03","79.8","0.03","989.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Cd N4 O6 -","- C18 H19 Cd N4 O6 -","- C36 H38 Cd2 N8 O12 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0414","0.034","","","0.0893","0.1027","","","","","","1.125","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211536","7.153","0.004","7.752","0.004","8.775","0.004","97.048","0.003","112.728","0.004","108.627","0.004","408.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn(N4CCOO)(H2O)3]2.2H2O","[Zn(N4CCOO)(H2O)3]2.2H2O","","- C4 H16 N8 O12 Zn2 -","- C4 H16 N8 O12 Zn2 -","- C4 H16 N8 O12 Zn2 -","1","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0252","0.0224","","","0.0531","0.0548","","","","","","1.08","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211537","9.396","0.003","11.094","0.003","13.567","0.004","83.399","0.009","81.828","0.007","74.782","0.009","1346.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O","Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O","","- C24 H22 N12 O7 Zn2 -","- C24 H22 N12 O7 Zn2 -","- C48 H44 N24 O14 Zn4 -","2","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0503","0.0379","","","0.0828","0.0886","","","","","","1.03","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211538","12.7076","0.0015","12.7076","0.0015","7.7157","0.0017","90","","90","","90","","1246","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","(Zn(N4CCH2COO)(H2O))n","[Zn(N4CCH2COO)(H2O)]n","","- C3 H4 N4 O3 Zn -","- C3 H4 N4 O3 Zn -","- C24 H32 N32 O24 Zn8 -","8","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0409","0.0328","","","0.0849","0.0917","","","","","","1.048","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211539","22.118","0.003","44.164","0.007","6.6646","0.0007","90","","90","","90","","6510.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","","- C26 H24 Cl2 N12 O6 Zn3 -","- C26 H24 Cl2 N12 O6 Zn3 -","- C208 H192 Cl16 N96 O48 Zn24 -","8","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0854","0.0542","","","0.1232","0.1375","","","","","","0.979","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211540","13.515","0.003","6.7465","0.0013","10.667","0.002","90","","91.33","0.03","90","","972.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(N4CCH2COO)2(4,4'-bpy)]n","[Zn2(N4CCH2COO)2(4,4'-bpy)]n","","- C16 H12 N10 O4 Zn2 -","- C16 H12 N10 O4 Zn2 -","- C32 H24 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0528","0.0435","","","0.1026","0.1068","","","","","","1.076","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211541","16.448","0.003","13.055","0.003","15.329","0.003","90","","90","","90","","3291.6","1.2","253.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H20 N7 O2 -","- C16 H20 N7 O2 -","- C128 H160 N56 O16 -","8","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji; Sato, Kazunobu; Takui, Takeji","Diaminotriazine-substituted nitronyl nitroxide: a novel building block for organic magnets having multiple hydrogen bonding substituents as structure-determining supramolecular synthons","CrystEngComm","2010","12","2","526","","10.1039/b909757k","","","0.7107","MoKα","","","0.0696","","","","0.2123","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211542","10.3259","0.0001","9.1606","0.0001","11.3351","0.0001","90","","101.97","0.001","90","","1048.89","0.018","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Mn N O7 -","- C8 H9 Mn N O7 -","- C32 H36 Mn4 N4 O28 -","4","1","","Zhan, Cai-Hong; Jiang, Mei-Xiang; Feng, Yun-Long; Cheng, Jian-Wen","An unusual fluorite network constructed by dinuclear manganese and 5-carboxyl-1-carboxymethyl-3-oxidopyridimium","CrystEngComm","2010","12","2","420","","10.1039/b909889e","","","0.71073","MoKα","","0.0266","0.0232","","","0.0587","0.0606","","","","","","1.058","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211543","19.283","0.002","9.7242","0.0013","30.545","0.004","90","","105.048","0.007","90","","5531.1","1.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","3189-81-07 minoxidil","3189-81-07 minoxidil : L-tartaric acid","","- C44 H74 N20 O17 -","- C44 H74 N20 O17 -","- C176 H296 N80 O68 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0523","0.0445","","","0.1195","0.1255","","","","","","1.006","","","","has coordinates,has disorder","188517","2020-10-21","18:00:00",""
"7211544","21.284","0.0008","10.4088","0.0004","13.8485","0.0005","90","","117.311","0.002","90","","2726.02","0.18","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 N10 O8 -","- C22 H38 N10 O8 -","- C88 H152 N40 O32 -","4","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","1.54178","CuKα","","0.0572","0.0476","","","0.1248","0.1327","","","","","","1.051","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211545","9.3818","0.0004","10.4613","0.0005","14.1476","0.0007","90","","99.41","0.003","90","","1369.84","0.11","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3189-80-03 minoxidil and succinic acid","","- C22 H40 N10 O8 -","- C22 H40 N10 O8 -","- C44 H80 N20 O16 -","2","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0584","0.0465","","","0.1236","0.132","","","","","","1.003","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211546","11.678","0.0005","17.9581","0.0008","13.673","0.0006","90","","94.615","0.002","90","","2858.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3189-76-02 minoxidil : adipic acid","","- C24 H40 N10 O6 -","- C24 H40 N10 O6 -","- C96 H160 N40 O24 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0768","0.05","","","0.1305","0.1459","","","","","","1.047","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211547","17.8421","0.0009","11.7743","0.0006","21.9811","0.0012","90","","102.245","0.002","90","","4512.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3189-76-06 minoxidil : 4-hydroxybenzoic acid","","- C41 H61 N15 O11 -","- C41 H61 N15 O11 -","- C164 H244 N60 O44 -","4","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.056","0.0425","","","0.114","0.1228","","","","","","1.045","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211548","10.2003","0.0005","30.8973","0.0013","10.1214","0.0004","90","","117.917","0.002","90","","2818.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3262-11-02 minoxidil : 1-hydroxy-2-naphthoic acid","","- C31 H31 N5 O7 -","- C31 H31 N5 O7 -","- C124 H124 N20 O28 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0906","0.0627","","","0.1585","0.1693","","","","","","1.076","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211549","9.6564","0.0005","12.466","0.0007","13.986","0.0008","107.291","0.003","96.977","0.003","107.027","0.003","1496.42","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3262-11-02 minoxidil : 1-hydroxy-2-naphthoic acid","","- C29 H39 N10 O5.5 -","- C29 H39 N10 O5.5 -","- C58 H78 N20 O11 -","2","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0956","0.0559","","","0.142","0.1641","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211550","12.0011","0.0007","12.1067","0.0007","12.5719","0.0008","66.822","0.002","88.582","0.002","79.951","0.002","1651.48","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3189-80-04 minoxidil : benzoic acid","","- C16 H21 N5 O3 -","- C16 H21 N5 O3 -","- C64 H84 N20 O12 -","4","2","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.1299","0.067","","","0.1538","0.1839","","","","","","1.019","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211551","18.724","0.004","15.086","0.003","8.6362","0.0017","90","","93.97","0.03","90","","2433.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Eu N3 O12 -","- C22 H22 Eu N3 O12 -","- C88 H88 Eu4 N12 O48 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0461","0.0336","","","0.0908","0.1028","","","","","","1.028","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211552","18.7397","0.0007","15.1331","0.0006","8.6165","0.0003","90","","93.999","0.002","90","","2437.6","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Gd N3 O12 -","- C22 H22 Gd N3 O12 -","- C88 H88 Gd4 N12 O48 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0978","0.049","","","0.0864","0.1073","","","","","","1.079","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211553","19.268","0.004","16.07","0.003","15.592","0.003","90","","100.38","0.03","90","","4748.8","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N4 O20 Pr2 -","- C46 H40 N4 O20 Pr2 -","- C184 H160 N16 O80 Pr8 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.1012","0.0538","","","0.1215","0.1482","","","","","","1.016","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211554","19.266","0.004","16.039","0.003","15.551","0.003","90","","100.41","0.03","90","","4726.3","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Er2 N4 O20 -","- C46 H40 Er2 N4 O20 -","- C184 H160 Er8 N16 O80 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.1043","0.0596","","","0.1513","0.1786","","","","","","1.054","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211555","12.3342","0.0003","11.3752","0.0003","19.0229","0.0006","90","","103.81","0.002","90","","2591.84","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H46 N4 O21 Sm2 -","- C52 H46 N4 O21 Sm2 -","- C104 H92 N8 O42 Sm4 -","2","0.5","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0535","0.0332","","","0.0738","0.0815","","","","","","1.026","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211556","10.8836","0.0002","10.9362","0.0002","15.8323","0.0002","90","","117.444","0.001","90","","1672.37","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N O7 Sm -","- C19 H12 N O7 Sm -","- C76 H48 N4 O28 Sm4 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0256","0.0198","","","0.0455","0.0482","","","","","","1.03","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211557","10.8671","0.0003","10.8974","0.0003","15.8338","0.0004","90","","117.385","0.002","90","","1664.96","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Eu N O7 -","- C19 H12 Eu N O7 -","- C76 H48 Eu4 N4 O28 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0268","0.0196","","","0.0555","0.0733","","","","","","1.01","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211560","19.446","0.002","4.2397","0.0005","12.4437","0.0014","90","","107.177","0.002","90","","980.16","0.19","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H3 Cu2 I2 K N4 -","- C2 H3 Cu2 I2 K N4 -","- C8 H12 Cu8 I8 K4 N16 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0301","0.0236","","","0.0519","0.0551","","","","","","1.034","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211561","9.3946","0.0014","13.26","0.002","12.7927","0.0019","90","","92.674","0.002","90","","1591.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H9 Cu3 I K N12 -","- C6 H9 Cu3 I K N12 -","- C24 H36 Cu12 I4 K4 N48 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0408","0.035","","","0.0923","0.0953","","","","","","1.082","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211562","9.5131","0.0013","15.302","0.002","9.8789","0.0013","90","","90","","90","","1438.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cu2 I N9 Na -","- C6 H9 Cu2 I N9 Na -","- C24 H36 Cu8 I4 N36 Na4 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0424","0.0315","","","0.071","0.0757","","","","","","1.035","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211563","5.035","0.003","17.205","0.009","7.734","0.004","90","","93.23","0.05","90","","668.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzohydrazide","4-hydroxybenzohydrazide","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","","0.71073","MoKα","","0.0686","0.0405","","","0.0942","0.1052","","","","","","1.044","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211564","21.648","0.007","3.594","0.003","9.704","0.003","90","","90","","90","","755","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-nitrobenzohydrazide","4-nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0634","0.0393","","","0.0788","0.0866","","","","","","1.027","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211565","15.93","0.01","3.816","0.003","12.689","0.009","90","","97.11","0.07","90","","765.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyanobenzohydrazide","4-cyanobenzohydrazide","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0967","0.0459","","","0.0911","0.1059","","","","","","1.003","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211566","5.416","0.002","13.971","0.004","9.958","0.002","90","","103.63","0.02","90","","732.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminobenzohydrazide","4-aminobenzohydrazide","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71073","MoKα","","0.0788","0.042","","","0.0892","0.1025","","","","","","1.042","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211567","31.8004","0.0006","31.8004","0.0006","36.9032","0.0016","90","","90","","90","","37318.9","1.9","100","2","100","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C70 H140 Mn Mo6 N5 O28 -","- C66.6 H123.75 Mn Mo6 N5 O28 -","- C1065.6 H1980 Mn16 Mo96 N80 O448 -","16","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0738","0.057","","","0.1384","0.1524","","","","","","1.033","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211568","24.516","0.003","15.4509","0.0017","24.233","0.003","90","","94.577","0.005","90","","9150","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H144 Mn Mo6 N5 O29 -","- C72.4 H135 Mn Mo6 N5 O28.5 -","- C289.6 H540 Mn4 Mo24 N20 O114 -","4","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0528","0.0359","","","0.0775","0.086","","","","","","1.043","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211569","37.5576","0.0015","13.7547","0.0006","25.1345","0.001","90","","128.073","0.002","90","","10221.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H150 Mn Mo6 N6 O27 -","- C81.6 H118 Mn Mo6 N7 O26.8 -","- C326.4 H472 Mn4 Mo24 N28 O107.2 -","4","0.5","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0787","0.0495","","","0.1444","0.1635","","","","","","1.064","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211570","14.897","0.0004","13.9137","0.0004","24.7439","0.0007","90","","97.349","0.001","90","","5086.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H140 Mn Mo6 N5 O24 -","- C80.2 H102.8 Mn Mo6 N5 O24 -","- C160.4 H205.6 Mn2 Mo12 N10 O48 -","2","0.5","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0908","0.0672","","","0.1891","0.2066","","","","","","1.049","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211571","12.15","0.008","14.363","0.007","16.451","0.011","99.374","0.015","106.419","0.012","111.167","0.014","2453","3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","Hexa-O-toluoyl-myo-inositol","Hexa-<i>O</i>-toluoyl-<i>myo</i>-inositol","","- C54 H48 O12 -","- C54 H48 O12 -","- C108 H96 O24 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality","CrystEngComm","2010","12","2","478","","10.1039/b910546h","","","0.71073","MoKα","","0.1427","0.0793","","","0.1982","0.2366","","","","","","1.024","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211572","12.13","0.005","30.223","0.011","14.383","0.005","90","","110.068","0.007","90","","4953","3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Hexa-O-toluoyl-myo-inositol","Hexa-<i>O</i>-toluoyl-<i>myo</i>-inositol","","- C54 H48 O12 -","- C54 H48 O12 -","- C216 H192 O48 -","4","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality","CrystEngComm","2010","12","2","478","","10.1039/b910546h","","","0.71073","MoKα","","0.1838","0.0628","","","0.1334","0.1847","","","","","","0.964","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211573","11.4886","0.0019","19.653","0.004","29.851","0.005","90","","99.17","0.003","90","","6654","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 N4 O26 S5 -","- C47 H43 N4 O26 S5 -","- C188 H172 N16 O104 S20 -","4","1","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.7107","MoKα","","0.1207","0.1002","","","0.271","0.2875","","","","","","1.022","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211574","31.666","0.005","19.154","0.003","22.704","0.004","90","","111.471","0.003","90","","12815","4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 N2 O46 S10 -","- C84 H68 N2 O46 S10 -","- C336 H272 N8 O184 S40 -","4","0.5","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.71073","MoKα","","0.1942","0.081","","","0.2109","0.2588","","","","","","0.854","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211575","31.878","0.004","19.919","0.002","11.1685","0.0013","90","","96.582","0.002","90","","7045","1.4","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H44 N O23 S5 -","- C42 H34 N O23 S5 -","- C168 H136 N4 O92 S20 -","4","0.5","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.71073","MoKα","","0.2369","0.1508","","","0.362","0.4337","","","","","","1.347","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211576","9.5731","0.0009","9.5962","0.001","16.5163","0.0016","90","","95.07","0.002","90","","1511.3","0.3","90","2","90","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C30 H20 Cu2 N4 O11 P2 V2 -","- C30 H20 Cu2 N4 O11 P2 V2 -","- C60 H40 Cu4 N8 O22 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0977","0.0968","","","0.1843","0.1847","","","","","","1.41","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211577","9.4396","0.0008","15.8795","0.0013","13.8189","0.0012","90","","101.147","0.002","90","","2032.3","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C72 H52 Cu4 N8 O32 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0454","0.0447","","","0.0943","0.0947","","","","","","1.291","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211578","18.026","0.0015","17.9783","0.0015","11.9993","0.001","90","","114.139","0.001","90","","3548.7","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu2 N6 O11 P2 V2 -","- C36 H26 Cu2 N6 O11 P2 V2 -","- C144 H104 Cu8 N24 O44 P8 V8 -","4","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0726","0.0703","","","0.1428","0.1438","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211579","10.6351","0.0008","14.8733","0.0011","18.7757","0.0013","90","","93.831","0.001","90","","2963.3","0.4","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu2 F N6 O10 P2 V -","- C26 H26 Cu2 F N6 O10 P2 V -","- C104 H104 Cu8 F4 N24 O40 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0719","0.0697","","","0.1335","0.1344","","","","","","1.336","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211580","19.628","0.002","8.5882","0.0009","19.245","0.002","90","","112.378","0.002","90","","2999.8","0.5","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C104 H88 Cu8 F8 N24 O40 P8 V8 -","4","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0572","0.0552","","","0.1192","0.1203","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211581","10.9327","0.0007","16.1475","0.001","11.8455","0.0007","90","","104.31","0.001","90","","2026.3","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O9 P2 V -","- C18 H15 Cu N2 O9 P2 V -","- C72 H60 Cu4 N8 O36 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0454","0.0446","","","0.0906","0.0909","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211582","8.2372","0.0006","16.1717","0.0011","15.1183","0.001","90","","101.714","0.001","90","","1972","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C72 H52 Cu4 N8 O32 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0426","0.042","","","0.0937","0.094","","","","","","1.272","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211583","11.2896","0.0005","16.8485","0.0008","20.5594","0.001","90","","93.909","0.001","90","","3901.6","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C144 H104 Cu8 N16 O64 P16 V8 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0743","0.0737","","","0.1446","0.1449","","","","","","1.381","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211584","9.6032","0.0009","6.1831","0.0006","19.7804","0.0018","90","","96.224","0.002","90","","1167.59","0.19","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu N2 O14 P2 V2 -","- C18 H14 Cu N2 O14 P2 V2 -","- C36 H28 Cu2 N4 O28 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0324","0.0304","","","0.0791","0.0809","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211585","10.402","0.0009","8.8148","0.0007","15.906","0.0013","90","","100.565","0.002","90","","1433.7","0.2","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu2 F2 N4 O10 P2 V2 -","- C26 H20 Cu2 F2 N4 O10 P2 V2 -","- C52 H40 Cu4 F4 N8 O20 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.039","0.0382","","","0.0825","0.0828","","","","","","1.233","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211586","10.3398","0.0007","25.5265","0.0016","10.0075","0.0006","90","","118.77","0.001","90","","2315.3","0.3","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cu2 F N6 O18 P4 V3 -","- C42 H32 Cu2 F N6 O18 P4 V3 -","- C84 H64 Cu4 F2 N12 O36 P8 V6 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0883","0.0863","","","0.1711","0.1719","","","","","","1.385","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211587","10.893","0.002","8.7599","0.0018","16.069","0.003","90","","90.38","0.03","90","","1533.3","0.5","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C52 H44 Cu4 F4 N12 O20 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0523","0.0396","","","0.1008","0.1065","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211588","10.2667","0.0011","10.384","0.0011","10.6223","0.0011","99.967","0.002","92.781","0.002","101.734","0.002","1087.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H17 Cu N2 O12.5 P3 V -","- C16 H14 Cu N2 O12.5 P3 V -","- C32 H28 Cu2 N4 O25 P6 V2 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0703","0.0656","","","0.135","0.1374","","","","","","1.251","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211589","8.8764","0.0006","17.0724","0.0011","43.44","0.003","90","","90","","90","","6583","0.8","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cu2 N4 O16 P3 V3 -","- C26 H19 Cu2 N4 O16 P3 V3 -","- C208 H152 Cu16 N32 O128 P24 V24 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0732","0.0622","","","0.1259","0.1304","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211590","16.244","0.002","7.2007","0.0009","22.401","0.003","90","","104.056","0.002","90","","2541.8","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N2 O16 P3 V3 -","- C18 H11 Cu N2 O16 P3 V3 -","- C72 H44 Cu4 N8 O64 P12 V12 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0799","0.0781","","","0.1488","0.1496","","","","","","1.345","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211591","6.4769","0.0007","8.4915","0.0009","18.798","0.002","92.437","0.002","98.233","0.002","92.697","0.002","1020.81","0.19","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cu N2 O11 P2 -","- C18 H14 Cu N2 O11 P2 -","- C36 H28 Cu2 N4 O22 P4 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0442","0.0415","","","0.1055","0.1071","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211592","10.3525","0.0005","6.4579","0.0003","15.6396","0.0009","90","","108.085","0.001","90","","993.94","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cu N2 O10 P2 -","- C18 H16 Cu N2 O10 P2 -","- C36 H32 Cu2 N4 O20 P4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0536","0.053","","","0.1125","0.1128","","","","","","1.339","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211593","10.114","0.002","10.753","0.002","11.13","0.002","114.17","0.03","105.57","0.03","104.01","0.03","974.8","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cu2 N4 O20 P6 -","- C32 H34 Cu2 N4 O20 P6 -","- C32 H34 Cu2 N4 O20 P6 -","1","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0391","0.0369","","","0.0878","0.0891","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211594","9.8914","0.0009","10.013","0.0009","11.5152","0.001","104.248","0.001","98.961","0.002","115.909","0.001","947.88","0.15","98","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cu N2 O10 P3 -","- C16 H15 Cu N2 O10 P3 -","- C32 H30 Cu2 N4 O20 P6 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0361","0.0349","","","0.0876","0.0883","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211595","7.3298","0.0007","16.0346","0.0014","18.8682","0.0017","90","","98.239","0.002","90","","2194.7","0.3","98","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cu N2 O11 P3 -","- C18 H15 Cu N2 O11 P3 -","- C72 H60 Cu4 N8 O44 P12 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0954","0.0943","","","0.1917","0.1922","","","","","","1.405","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211596","9.9542","0.0014","10.0152","0.0014","12.0621","0.0016","100.631","0.002","106.609","0.002","115.494","0.002","972.2","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu N3 O10 P3 -","- C16 H18 Cu N3 O10 P3 -","- C32 H36 Cu2 N6 O20 P6 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0598","0.0523","","","0.1164","0.1196","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211597","5.721","0.003","11.617","0.005","24.595","0.011","93.91","0.008","90.624","0.008","103.852","0.008","1582.7","1.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C18.644 H15.5 N O2 -","- C74.576 H62 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.1779","0.106","","","0.2748","0.3283","","","","","","0.906","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211598","5.702","0.003","11.6","0.007","24.523","0.014","93.589","0.013","90.734","0.012","103.756","0.011","1571.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C17.875 H16.125 N O2 -","- C71.5 H64.5 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2764","0.2123","","","0.4897","0.5365","","","","","","1.536","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211599","5.725","0.002","48.556","0.019","11.522","0.004","90","","103.316","0.008","90","","3117","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N O2 -","- C17.9875 H21.9625 N O2 -","- C143.9 H175.7 N8 O16 -","8","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2585","0.1314","","","0.2787","0.3532","","","","","","0.972","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211600","5.7654","0.0004","48.7","0.003","11.5146","0.0007","90","","103.684","0.001","90","","3141.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0418","0.0376","","","0.1083","0.1196","","","","","","0.878","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211601","5.7162","0.0012","11.563","0.003","24.621","0.005","94.133","0.005","90.21","0.003","104.275","0.003","1572.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C72 H88 N4 O8 -","2","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0896","0.0472","","","0.1236","0.1673","","","","","","0.869","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211602","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Dy4 N8 O26 S2 -","- C36 H20 Dy4 N8 O26 S2 -","- C36 H20 Dy4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0474","0.0443","","","0.1069","0.1082","","","","","","1.168","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211603","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Er4 N8 O26 S2 -","- C36 H20 Er4 N8 O26 S2 -","- C36 H20 Er4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0554","0.051","","","0.1349","0.1368","","","","","","1.178","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211604","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Eu4 N8 O26 S2 -","- C36 H20 Eu4 N8 O26 S2 -","- C36 H20 Eu4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.054","0.0529","","","0.1209","0.1214","","","","","","1.182","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211605","9.4361","0.0015","9.8459","0.0015","14.246","0.002","91.443","0.002","107.665","0.002","118.251","0.002","1088.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Gd2 N4 O15 S -","- C18 H14 Gd2 N4 O15 S -","- C36 H28 Gd4 N8 O30 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.034","0.0304","","","0.0748","0.0774","","","","","","1.082","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211606","9.655","0.0017","10.0259","0.0018","14.313","0.003","91.012","0.002","107.625","0.002","118.626","0.002","1136.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 La2 N4 O15 S -","- C18 H14 La2 N4 O15 S -","- C36 H28 La4 N8 O30 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0592","0.0537","","","0.1336","0.1355","","","","","","1.232","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211607","9.5697","0.0013","9.9532","0.0013","14.288","0.002","91.2","0.002","107.652","0.002","118.473","0.001","1117.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 N4 O15 Pr2 S -","- C18 H14 N4 O15 Pr2 S -","- C36 H28 N8 O30 Pr4 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0498","0.0425","","","0.099","0.1028","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211608","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N8 O26 S2 Tb4 -","- C36 H20 N8 O26 S2 Tb4 -","- C36 H20 N8 O26 S2 Tb4 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0558","0.0535","","","0.1222","0.1234","","","","","","1.142","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211609","9.473","0.0011","9.8689","0.0011","14.2483","0.0016","91.425","0.001","107.677","0.001","118.257","0.001","1095.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 N4 O15 S Sm2 -","- C18 H14 N4 O15 S Sm2 -","- C36 H28 N8 O30 S2 Sm4 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0287","0.0272","","","0.073","0.074","","","","","","1.149","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211610","13.9901","0.0007","13.9901","0.0007","18.2013","0.0018","90","","90","","90","","3562.4","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H32 La2 O28 Pb -","- C16 H16 La2 O28 Pb -","- C64 H64 La8 O112 Pb4 -","4","0.25","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0261","0.024","","","0.0755","0.0759","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211611","15.3476","0.0008","15.3476","0.0008","14.9728","0.0015","90","","90","","120","","3054.3","0.4","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C4 H8 La0.33 Ni0.5 O7 -","- C4 H6 La0.333333 Ni0.5 O7 -","- C48 H72 La4 Ni6 O84 -","12","0.5","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0394","0.0288","","","0.0996","0.1096","","","","","","1.142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211612","15.3708","0.001","15.3708","0.001","15.118","0.002","90","","90","","120","","3093.3","0.5","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H24 La2 O36 Zn3 -","- C24 H24 La2 O36 Zn3 -","- C48 H48 La4 O72 Zn6 -","2","0.0833333","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0312","0.0243","","","0.0893","0.0918","","","","","","1.135","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211613","15.371","0.003","15.371","0.003","15.127","0.003","90","","90","","120","","3095.2","1.1","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C4 H7.5 Co0.5 La0.33 O6.75 -","- C4 H6 Co0.5 La0.333333 O6.75 -","- C48 H72 Co6 La4 O81 -","12","0.5","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0357","0.0302","","","0.1181","0.1263","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211614","25.9723","0.0006","25.9723","0.0006","25.9723","0.0006","90","","90","","90","","17519.9","0.7","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H72 La4 Mn6 O78 -","- C48 H72 La4 Mn6 O78 -","- C384 H576 La32 Mn48 O624 -","8","0.0416667","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0892","0.0409","","","0.1279","0.1881","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211615","24.328","0.005","31.067","0.006","16.658","0.004","90","","90","","90","","12590","5","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H60 Ag2.5 Cl2.5 N10 O15 Si2.5 -","- C50 H50 Ag2.5 Cl2.5 N10 O10.25 Si2.5 -","- C400 H400 Ag20 Cl20 N80 O82 Si20 -","8","1","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1376","0.0768","","","0.2095","0.2443","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211616","5.772","0.002","19.128","0.007","17.295","0.006","90","","90","","90","","1909.5","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21.52 N4 O1.52 Si -","- C20 H21 N4 O1.51 Si -","- C80 H84 N16 O6.04 Si4 -","4","0.5","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1319","0.0694","","","0.1862","0.2222","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211617","17.783","0.005","7.249","0.005","8.832","0.005","90","0.005","105.275","0.005","90","0.005","1098.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Co N2 O6 P2 -","- C4 H14 Co N2 O6 P2 -","- C16 H56 Co4 N8 O24 P8 -","4","0.5","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.0293","0.025","","","0.0621","0.0636","","","","","","1.154","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211618","7.718","0.005","8.84","0.005","12.151","0.005","76.056","0.005","77.939","0.005","68.704","0.005","742.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 Co2 N2 O9 P3 -","- C4 H17 Co2 N2 O9 P3 -","- C8 H34 Co4 N4 O18 P6 -","2","1","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.032","0.0253","","","0.0636","0.0666","","","","","","1.039","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211619","15.882","0.005","8.462","0.005","16.096","0.005","90","0.005","112.563","0.005","90","0.005","1997.6","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Co3 N2 O12 P4 -","- C4 H20 Co3 N2 O12 P4 -","- C16 H80 Co12 N8 O48 P16 -","4","0.5","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.0568","0.0332","","","0.0999","0.1203","","","","","","0.805","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211620","13.835","0.004","19.67","0.005","16.292","0.004","90","","99.14","0.02","90","","4377","2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 O11 -","- C45 H62 O11 -","- C180 H248 O44 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.071","0.071","","0.107","0.107","","","","0.985","0.985","0.985","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211621","16.099","0.005","18.769","0.007","16.86","0.006","90","","91.67","0.03","90","","5092","3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H72 O12 -","- C51.003 H72.009 O12 -","- C204.012 H288.036 O48 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.095","0.095","","0.148","0.148","","","","0.865","0.865","0.865","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211622","12.599","0.002","19.118","0.003","22.586","0.004","114.97","0.02","90.99","0.02","96.25","0.02","4890.3","1.6","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H69 O8.5 -","- C50 H68 O8.5 -","- C200 H272 O34 -","4","2","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.086","0.086","","0.124","0.124","","","","0.945","0.945","0.945","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211623","20.451","0.005","12.501","0.003","19.027","0.004","90","","125.3","0.02","90","","3970","1.9","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H52 O10 -","- C42 H52 O10 -","- C168 H208 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.087","0.087","","0.127","0.127","","","","0.882","0.882","0.882","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211624","12.723","0.003","13.512","0.003","19.649","0.004","90","","103.09","0.03","90","","3290.1","1.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii)","Chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III)","","- C36 H44 Cl In N4 -","- C36 H44 Cl In N4 -","- C144 H176 Cl4 In4 N16 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0449","0.0317","","","0.0735","0.0789","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211625","13.6573","0.0008","19.1375","0.0011","15.274","0.0009","90","","98.959","0.001","90","","3943.4","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)indium(iii)","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)indium(III)","","- C45 H53 Cl In N4 -","- C45 H53 Cl In N4 -","- C180 H212 Cl4 In4 N16 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.1048","0.0491","","","0.0976","0.1196","","","","","","1.006","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211626","13.4911","0.0014","19.0068","0.0019","15.2475","0.0015","90","","98.654","0.002","90","","3865.3","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii) 1.5 pyridine solvate","chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III) 1.5 pyridine solvate","","- C43.5 H51.5 Cl In N5.5 -","- C44 H52 Cl In N5 -","- C176 H208 Cl4 In4 N20 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.1229","0.065","","","0.1573","0.2003","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211627","13.6661","0.0017","19.255","0.002","15.2555","0.0019","90","","98.266","0.002","90","","3972.6","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","In(OEP)Cl$.!0.5dioxane$.!benzene","","","- C44 H54 Cl In N4 O -","- C44 H54 Cl In N4 O -","- C176 H216 Cl4 In4 N16 O4 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0876","0.0571","","","0.138","0.1504","","","","","","0.959","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211628","19.8189","0.0007","17.9548","0.0006","14.098","0.0005","90","","124.679","0.004","90","","4125.5","0.3","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","ClInOEP.1.5chlorobenzene","","","- C45 H51.5 Cl2.5 In N4 -","- C44.62 H51.5 Cl2.5 In N4 -","- C178.48 H206 Cl10 In4 N16 -","4","0.5","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0228","0.0219","","","0.0564","0.0569","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211629","19.251","0.002","20.681","0.002","16.032","0.0017","90","","90","","90","","6382.8","1.1","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","(In(OEP)Cl)C60.benzene","","","- C102 H50 Cl In N4 -","- C102 H50 Cl In N4 -","- C408 H200 Cl4 In4 N16 -","4","0.25","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0995","0.0726","","","0.2029","0.2115","","","","","","1.16","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211630","11.5018","0.0006","22.2844","0.0012","14.1872","0.0008","90","","102.802","0.002","90","","3545.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 Co3 N12 O34 -","- C60 H80 Co3 N12 O34 -","- C120 H160 Co6 N24 O68 -","2","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.1011","0.0648","","","0.1431","0.1517","","","","","","0.996","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211631","33.993","0.004","13.6318","0.0014","15.4608","0.0016","90","","90","","90","","7164.3","1.3","291","2","291","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C66 H68 Co3 N12 O22 -","- C66 H68 Co3 N12 O22 -","- C264 H272 Co12 N48 O88 -","4","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0699","0.056","","","0.1134","0.1159","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211632","36.481","0.002","49.104","0.003","11.8446","0.0007","90","","90","","90","","21218","2","291","","291","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C41 H48 Co2 N8 O16 -","- C41 H48 Co2 N8 O16 -","- C656 H768 Co32 N128 O256 -","16","1","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0569","0.0488","","","0.1098","0.1118","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211633","5.0333","0.0008","13.995","0.002","10.7354","0.0017","90","","97.733","0.002","90","","749.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N2 O4 -","- C16 H16 Cu N2 O4 -","- C32 H32 Cu2 N4 O8 -","2","0.5","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0445","0.038","","","0.1013","0.1064","","","","","","1.037","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211634","7.3163","0.0007","7.6838","0.0007","17.9429","0.0016","83.251","0.002","82.728","0.002","81.003","0.002","983.34","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu3 N2 O12 -","- C16 H16 Cu3 N2 O12 -","- C32 H32 Cu6 N4 O24 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0416","0.0371","","","0.0954","0.0987","","","","","","1.027","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211635","7.6284","0.0011","11.058","0.002","11.284","0.005","102.71","0.03","105.21","0.02","106.87","0.016","832.6","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu2 N2 O10 -","- C16 H14 Cu2 N2 O10 -","- C32 H28 Cu4 N4 O20 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.1001","0.0563","","","0.1593","0.181","","","","","","1.079","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211636","7.0602","0.0007","9.5054","0.001","10.8957","0.0011","101.345","0.002","107.878","0.002","111.34","0.002","607.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu4 N2 O22 -","- C16 H14 Cu4 N2 O22 -","- C16 H14 Cu4 N2 O22 -","1","0.5","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0323","0.0304","","","0.0827","0.0843","","","","","","1.089","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211637","8.909","0.002","12.33","0.003","17.476","0.004","90","","90","","90","","1919.7","0.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H3 Cu2 N O7 -","- C8 H3 Cu2 N O7 -","- C64 H24 Cu16 N8 O56 -","8","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0755","0.0581","","","0.1274","0.1351","","","","","","1.076","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211638","4.8656","0.0005","9.764","0.0012","11.1677","0.0014","73.703","0.011","80.971","0.01","80.399","0.009","498.69","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O8 -","- C8 H8 N2 O8 -","- C16 H16 N4 O16 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","1.54178","CuKα","","0.1089","0.088","","","0.2504","0.2658","","","","","","1.075","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211639","16.885","0.004","11.989","0.004","8.207","0.004","90","","95.51","0.03","90","","1653.7","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0961","0.0589","","","0.1331","0.162","","","","","","1.129","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211640","30.168","0.001","30.168","0.001","7.1749","0.0002","90","","90","","90","","6529.9","0.4","180","2","180","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2,6-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C224 H96 F64 N64 S64 -","32","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0785","0.0847","","","","","","1.028","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211641","7.543","0.002","11.193","0.002","18.688","0.004","90","","93.87","0.03","90","","1574.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0765","0.0464","","","0.1097","0.128","","","","","","1.056","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211642","7.058","0.003","15.045","0.005","16.258","0.006","66.79","0.03","84.17","0.03","80.4","0.03","1563.2","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","4","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.1235","0.0727","","","0.1691","0.2024","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211643","30.483","0.002","30.483","0.002","7.117","0.001","90","","90","","90","","6613.2","1.1","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2,3,6-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C224 H64 F96 N64 S64 -","32","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.035","0.0274","","","0.0671","0.072","","","","","","1.133","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211644","7.1195","0.0001","27.2091","0.0003","25.1504","0.0004","90","","92.614","0.001","90","","4866.94","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C168 H48 F72 N48 S48 -","24","6","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0911","0.0488","","","0.097","0.1107","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211645","5.9462","0.0001","10.2733","0.0002","14.3236","0.0002","76.255","0.001","79.899","0.001","78.649","0.001","825.67","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,4,5-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C28 H8 F12 N8 S8 -","4","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0377","0.0321","","","0.0836","0.0889","","","","","","1.093","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211646","9.738","0.0009","10.415","0.001","10.66","0.001","107.409","0.001","90.801","0.001","115.658","0.001","916.86","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cu Mo8 N6 O28 -","- C18 H20 Cu Mo8 N6 O28 -","- C18 H20 Cu Mo8 N6 O28 -","1","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0465","0.0402","","","0.1092","0.1139","","","","","","1.06","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211647","19.061","0.0007","10.431","0.0007","18.396","0.0014","90","","93.148","0.001","90","","3652.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cu Mo8 N8 O28 -","- C16 H22 Cu Mo8 N8 O28 -","- C64 H88 Cu4 Mo32 N32 O112 -","4","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0259","0.0228","","","0.0601","0.0615","","","","","","1.143","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211648","10.651","0.003","11.293","0.003","12.834","0.007","96.116","0.003","102.112","0.003","108.448","0.004","1406.7","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Cl Cu3 Mo4 N8 O13 -","- C16 H16 Cl Cu3 Mo4 N8 O13 -","- C32 H32 Cl2 Cu6 Mo8 N16 O26 -","2","1","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0743","0.0615","","","0.1768","0.1887","","","","","","1.072","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211649","18.456","0.001","15.443","0.001","20.498","0.002","90","","107.187","0.001","90","","5581.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cu2 Mo8 N16 O29 -","- C32 H32 Cu2 Mo8 N16 O29 -","- C128 H128 Cu8 Mo32 N64 O116 -","4","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0366","0.0303","","","0.0859","0.0899","","","","","","1.04","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211650","12.3881","0.0017","15.8284","0.0021","14.1052","0.0019","90","","92.264","0.0024","90","","2763.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu Mo4 N6 O13 -","- C18 H18 Cu Mo4 N6 O13 -","- C72 H72 Cu4 Mo16 N24 O52 -","4","1","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0531","0.0374","","","0.088","0.0947","","","","","","1.048","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211651","28.368","0.006","11.144","0.002","16.695","0.003","90","","116.37","0.03","90","","4729","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Co2 N14 O15 -","- C42 H40 Co2 N14 O15 -","- C168 H160 Co8 N56 O60 -","4","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Li, Dong-Dong; Chen, Gong-Jun; Gu, Wen; Yan, Shi-Ping; Liu, Xin; Liao, Dai-Zheng; Cheng, Peng","Pillared cobalt‒organic framework with an unprecedented (3,4,6)-connected architecture showing the coexistence of spin canting and long-range magnetic ordering","CrystEngComm","2010","12","2","395","","10.1039/b911950g","","","0.71073","MoKα","","0.0938","0.0635","","","0.1269","0.1407","","","","","","1.004","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211652","10.241","0.003","10.613","0.003","15.096","0.004","108.329","0.003","107.359","0.003","96.187","0.003","1449.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O6 Zn -","- C32 H26 N4 O6 Zn -","- C64 H52 N8 O12 Zn2 -","2","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0464","0.0379","","","0.1131","0.117","","","","","","1.117","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211653","14.9647","0.0017","18.433","0.002","17.2557","0.0019","90","","111.517","0.002","90","","4428.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cd2 N4 O14 -","- C41 H38 Cd2 N4 O14 -","- C164 H152 Cd8 N16 O56 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0648","0.0394","","","0.1003","0.1105","","","","","","1.008","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211654","14.9754","0.0011","11.6808","0.0008","20.0188","0.0014","90","","108.963","0.001","90","","3311.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26.5 N4 O6.25 Zn -","- C32 H24 N4 O6.25 Zn -","- C128 H96 N16 O25 Zn4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0892","0.0593","","","0.1927","0.2159","","","","","","1.082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211655","14.855","0.0007","18.3497","0.0009","17.3074","0.0008","90","","109.786","0.001","90","","4439.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cd2 N4 O16 -","- C41 H38 Cd2 N4 O16 -","- C164 H152 Cd8 N16 O64 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0341","0.0271","","","0.0716","0.0741","","","","","","1.055","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211656","10.1817","0.0015","12.3737","0.0018","15.97","0.002","106.586","0.002","90.654","0.002","103.408","0.002","1869.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O9 Zn2 -","- C40 H28 N4 O9 Zn2 -","- C80 H56 N8 O18 Zn4 -","2","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0525","0.0386","","","0.1089","0.1141","","","","","","1.108","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211657","20.681","0.004","17.603","0.003","12.788","0.002","90","","105.997","0.002","90","","4475.2","1.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C160 H144 Cd8 N16 O48 -","8","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0532","0.0399","","","0.1072","0.1129","","","","","","1.069","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211658","11.9488","0.0013","18.454","0.002","14.4823","0.0015","90","","94.866","0.002","90","","3181.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Br4 N4 O5 Zn -","- C32 H22 Br4 N4 O5 Zn -","- C128 H88 Br16 N16 O20 Zn4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0642","0.0361","","","0.0864","0.1002","","","","","","1.024","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211659","9.1883","0.0004","13.9263","0.0007","21.9249","0.001","90","","97.257","0.001","90","","2783","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Br12 Cd N4 O14 -","- C48 H28 Br12 Cd N4 O14 -","- C96 H56 Br24 Cd2 N8 O28 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0473","0.034","","","0.091","0.0972","","","","","","1.011","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211660","10.252","0.0004","11.2447","0.0004","23.89","0.0008","103.24","0.005","91.368","0.005","90.574","0.005","2679.75","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C104 H120 N24 O16 S8 -","8","4","","Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Cherepanov, Iliya A.; Lyssenko, Konstantin A.","Pseudosymmetry as viewed using charge density analysis","CrystEngComm","2010","12","1","77","","10.1039/b912147a","","","0.71073","MoKα","","0.0546","0.0396","","","0.1036","0.1239","","","","","","1.004","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211661","12.644","0.003","13.825","0.003","15.768","0.003","98.332","0.015","102.598","0.015","108.716","0.016","2477.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H52 N9 O26 Zn3 -","- C39 H52 N9 O26 Zn3 -","- C78 H104 N18 O52 Zn6 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin","Solvothermal synthesis of two unique metal‒organic frameworks: a 3-fold interpenetrating (3,4,5)-connected network and a 2-fold interpenetrating (4,5)-connected network","CrystEngComm","2010","12","2","348","","10.1039/b912158g","","","0.71073","MoKα","","0.0879","0.0506","","","0.119","0.1421","","","","","","1.012","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211662","21.545","0.005","13.381","0.002","8.679","0.003","90","","112.89","0.03","90","","2305.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N4 Na O12 Zn -","- C17 H16 N4 Na O12 Zn -","- C68 H64 N16 Na4 O48 Zn4 -","4","0.5","","Han, Zheng-Bo; Zhang, Guo-Xin","Solvothermal synthesis of two unique metal‒organic frameworks: a 3-fold interpenetrating (3,4,5)-connected network and a 2-fold interpenetrating (4,5)-connected network","CrystEngComm","2010","12","2","348","","10.1039/b912158g","","","0.71073","MoKα","","0.1046","0.0601","","","0.1416","0.1672","","","","","","1.015","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211663","18.732","0.006","12.684","0.005","19.629","0.007","90","","113.496","0.004","90","","4277","3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N5 O21 S4 -","- C33 H54 N5 O21 S4 -","- C132 H216 N20 O84 S16 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1025","0.0614","","","0.1467","0.2051","","","","","","1.084","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211664","10.947","0.004","25.408","0.006","15.235","0.005","90","","106.129","0.002","90","","4071","2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 N9 O17 -","- C33 H53 N9 O17 -","- C132 H212 N36 O68 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.0941","0.0617","","","0.1589","0.2042","","","","","","1.061","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211665","16.091","0.004","25.497","0.006","19.744","0.005","90","","93.33","0.005","90","","8087","3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 N9 O17 -","- C33 H49 N9 O17 -","- C264 H392 N72 O136 -","8","2","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1139","0.0767","","","0.1643","0.2333","","","","","","1.108","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211666","21.972","0.005","21.972","0.005","21.972","0.005","90","","90","","90","","10607","4","100","1","100","1","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C11 H26 N1.67 O8 S0.5 -","- C11 H16 N1.66667 O8 S0.5 -","- C264 H384 N40 O192 S12 -","24","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1109","0.0701","","","0.1844","0.2485","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211667","9.81","0.003","25.932","0.006","16.314","0.005","90","","98.869","0.006","90","","4101","2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 N8 O18 S -","- C33 H50 N8 O18 S -","- C132 H200 N32 O72 S4 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1123","0.0787","","","0.1945","0.2255","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211668","8.4268","0.0013","20.661","0.003","11.3627","0.0017","90","","100.242","0.002","90","","1946.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 Zn -","- C20 H14 Cl2 N4 Zn -","- C80 H56 Cl8 N16 Zn4 -","4","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.057","0.0395","","","0.0823","0.0908","","","","","","1.039","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211669","26.694","0.007","9.283","0.003","17.354","0.005","90","","102.759","0.004","90","","4194","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N8 O9 Zn2 -","- C44 H28 N8 O9 Zn2 -","- C176 H112 N32 O36 Zn8 -","4","0.5","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0531","0.0406","","","0.1164","0.1259","","","","","","1.092","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211670","27.178","0.012","11.287","0.005","14.98","0.006","90","","107.48","0.005","90","","4383","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd N4 O6 -","- C24 H17 Cd N4 O6 -","- C192 H136 Cd8 N32 O48 -","8","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0896","0.0535","","","0.1186","0.1364","","","","","","1.034","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211671","35.332","0.01","10.979","0.003","16.158","0.005","90","","116.232","0.004","90","","5622","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H18 N4 O7 Zn2 -","- C29 H13 N4 O7 Zn2 -","- C232 H104 N32 O56 Zn16 -","8","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0943","0.0567","","","0.1584","0.1818","","","","","","1.042","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211672","12.1694","0.0003","13.9841","0.0004","14.3235","0.0004","90","","105.557","0.002","90","","2348.24","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br2 N9 O S -","- C19 H17 Br2 N9 O S -","- C76 H68 Br8 N36 O4 S4 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0832","0.0448","","","0.0893","0.1091","","","","","","0.995","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211673","4.8835","0.0001","10.172","0.0003","27.4296","0.0008","90","","91.328","0.002","90","","1362.2","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 I N5 O4 -","- C9 H10 I N5 O4 -","- C36 H40 I4 N20 O16 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0583","0.0343","","","0.0675","0.0752","","","","","","1.05","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211674","5.6044","0.0001","8.8412","0.0002","29.3023","0.0006","90","","95.347","0.001","90","","1445.6","0.05","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl I N4 O5 -","- C9 H10 Cl I N4 O5 -","- C36 H40 Cl4 I4 N16 O20 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0485","0.0356","","","0.0963","0.1054","","","","","","1.028","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211675","6.8263","0.0002","11.5549","0.0003","17.0562","0.0004","90","","96.788","0.001","90","","1335.92","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C52 H44 N20 O12 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0898","0.0473","","","0.1172","0.1473","","","","","","1.004","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211676","5.6061","0.0002","15.8135","0.0006","14.0347","0.0005","90","","97.281","0.002","90","","1234.17","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N9 O4 -","- C26 H23 N9 O4 -","- C52 H46 N18 O8 -","2","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.083","0.0519","","","0.1135","0.1445","","","","","","0.98","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211677","15.617","0.007","4.819","0.002","16.3","0.007","90","","90.27","0.017","90","","1226.7","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-picoline chloranilate","4-picoline chloranilate","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C48 H36 Cl8 N4 O16 -","4","1","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0874","0.0548","","0.1139","","0.1139","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211678","7.952","0.005","6.126","0.003","17.658","0.008","90","","96.73","0.03","90","","854.3","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0986","0.0613","","0.1062","","0.1062","","","","","","1.049","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211679","8.037","0.005","6.099","0.003","17.679","0.008","90","","96.56","0.03","90","","860.9","0.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0758","0.0437","","0.0539","","0.0539","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211680","8.192","0.005","6.099","0.002","17.721","0.009","90","","96.259","0.019","90","","880.1","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0997","0.0446","","0.0844","","0.0844","","","","","","0.992","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211681","7.268","0.009","8.957","0.009","16.925","0.018","90","","98.2","0.04","90","","1091","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(4-picoline) chloranilate tetrahydrate","bis(4-picoline) chloranilate tetrahydrate","","- C18 H24 Cl2 N2 O8 -","- C18 H24 Cl2 N2 O8 -","- C36 H48 Cl4 N4 O16 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.1174","0.0668","","0.1592","0.1405","0.1592","","","","","","0.9457","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211682","7.3752","0.0015","9.1468","0.0018","9.7296","0.0019","101.63","0.03","103.92","0.03","97.45","0.03","612.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-picoline chloranilate","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C24 H18 Cl4 N2 O8 -","2","1","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0337","0.0298","","0.08","","0.0849","","","","","","1.055","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211683","6.369","0.003","8.597","0.003","16.628","0.006","90","","101.451","0.017","90","","892.3","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0557","0.0441","","0.0955","","0.1113","","","","","","1.05","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211684","6.398","0.003","8.657","0.004","16.684","0.007","90","","101.23","0.02","90","","906.4","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0646","0.046","","0.1218","","0.1007","","","","","","1.055","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211685","6.419","0.003","8.692","0.004","16.727","0.007","90","","101.031","0.019","90","","916","0.7","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0755","0.0462","","0.1046","","0.1379","","","","","","1.046","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211686","5.0366","0.0002","9.3637","0.0004","13.3491","0.0007","97.669","0.002","98.579","0.003","103.66","0.002","595.51","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0619","0.0379","","0.0941","","0.09","","","","","","1.017","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211687","5.0539","0.0002","9.3895","0.0005","13.4239","0.0008","97.829","0.002","98.064","0.003","103.501","0.003","603.77","0.06","200","","200","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0852","0.0438","","0.1151","","0.1151","","","","","","1.016","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211688","5.0718","0.0002","9.4052","0.0005","13.5038","0.0008","98.035","0.002","97.534","0.003","103.372","0.003","611.54","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.122","0.0522","","0.1423","","0.1261","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211689","8.642","0.004","9.687","0.004","10.279","0.005","90","","102.08","0.02","90","","841.5","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.047","0.039","","0.128","","0.128","","","","","","1.159","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211690","8.668","0.004","9.737","0.004","10.376","0.005","90","","102.55","0.02","90","","854.8","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0475","0.0385","","0.0997","","0.0997","","","","","","1.033","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211691","8.699","0.005","9.795","0.005","10.486","0.005","90","","103.09","0.02","90","","870.3","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0637","0.0458","","0.1095","","0.1095","","","","","","1.059","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211692","12.049","0.0005","5.326","0.0001","13.5813","0.0006","90","","96.958","0.002","90","","865.13","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0836","0.0473","","0.1336","","0.1127","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211693","7.167","0.003","12.221","0.006","13.381","0.007","71.414","0.016","86.29","0.02","88.917","0.016","1108.6","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0753","0.0439","","0.1045","","0.1424","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211694","7.205","0.002","12.267","0.004","13.453","0.005","71.274","0.013","86.638","0.016","89.577","0.013","1124.1","0.6","200","","200","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.065","0.0392","","0.0711","","0.101","","","","","","1.078","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211695","7.257","0.006","12.299","0.009","13.5378","0.0012","71.11","0.03","87.03","0.04","90.31","0.03","1141.4","1.3","300","","300","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0891","0.0442","","0.1309","","0.1309","","","","","","1.0276","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211696","20.276","0.002","20.276","0.002","20.276","0.002","90","","90","","90","","8335.8","1.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.83 Cu2 O11.42 -","- C8 H8.82667 Cu2 O11.4167 -","- C192 H211.84 Cu48 O274 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0456","0.0456","","","0.1528","0.1529","","","","","","1.077","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211697","12.2599","0.0013","22.356","0.002","8.8705","0.0009","90","","92.112","0.001","90","","2429.6","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 Cu2 N2 O13 -","- C18 H20 Cu2 N2 O13 -","- C72 H80 Cu8 N8 O52 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0304","0.0292","","","0.0842","0.0852","","","","","","1.083","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211698","8.8222","0.0018","23.392","0.005","15.038","0.005","90","","124.92","0.02","90","","2544.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.25 H20 Cu2 N2 O12.75 -","- C20.25 H20 Cu2 N2 O12.75 -","- C81 H80 Cu8 N8 O51 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0619","0.0566","","","0.1653","0.1707","","","","","","1.116","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211699","10.194","0.002","13.637","0.003","21.57","0.004","90","","98.92","0.03","90","","2962.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Mn2 N4 O12 -","- C32 H26 Mn2 N4 O12 -","- C128 H104 Mn8 N16 O48 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0839","0.066","","","0.134","0.1439","","","","","","1.166","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211700","10.292","0.012","13.955","0.016","22.615","0.018","90","","108.06","0.04","90","","3088","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd2 N4 O12 -","- C32 H26 Cd2 N4 O12 -","- C128 H104 Cd8 N16 O48 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.1564","0.0825","","","0.1871","0.2395","","","","","","1.025","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211701","20.5223","0.0006","20.5223","0.0006","20.5223","0.0006","90","","90","","90","","8643.3","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.67 O11.33 Zn2 -","- C8 H8.66 O11.3333 Zn2 -","- C192 H207.84 O272 Zn48 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0442","0.0328","","","0.0858","0.0901","","","","","","1.075","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211702","12.369","0.005","8.867","0.002","11.904","0.007","90","","117.17","0.04","90","","1161.5","1","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 F N2 O2 -","- C10 H15 F N2 O2 -","- C40 H60 F4 N8 O8 -","4","1","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Molins, Elies; Deyà, Pere M.","Lone pair‒πvsπ‒π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study","CrystEngComm","2010","12","2","362","","10.1039/b913111f","","x-ray","0.71073","MoKα","","0.2321","0.1013","","","0.3588","0.416","","","","","","1.117","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211703","13.111","0.004","13.285","0.008","13.332","0.006","90.66","0.07","102.36","0.05","94.35","0.04","2260.9","1.9","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","4","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Molins, Elies; Deyà, Pere M.","Lone pair‒πvsπ‒π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study","CrystEngComm","2010","12","2","362","","10.1039/b913111f","","x-ray","0.71073","MoKα","","0.3291","0.108","","","0.2664","0.3354","","","","","","0.929","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211704","13.424","0.002","4.2191","0.0007","20.596","0.004","90","","95.748","0.002","90","","1160.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br2 Hg N3 -","- C9 H7 Br2 Hg N3 -","- C36 H28 Br8 Hg4 N12 -","4","1","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0803","0.0654","","","0.1771","0.1918","","","","","","1.117","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211705","9.324","0.003","15.989","0.005","15.217","0.005","90","","98.827","0.006","90","","2241.7","1.2","294","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Cl2 Mn N12 O8 -","- C36 H32 Cl2 Mn N12 O8 -","- C72 H64 Cl4 Mn2 N24 O16 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0991","0.0675","","","0.1807","0.2073","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211706","10.017","0.003","14.126","0.003","16.534","0.004","90","","102.947","0.005","90","","2280.1","1","273","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Cl2 Cu N12 O8 -","- C36 H32 Cl2 Cu N12 O8 -","- C72 H64 Cl4 Cu2 N24 O16 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0794","0.0677","","","0.1748","0.1912","","","","","","0.94","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211707","21.177","0.005","23.657","0.006","11.481","0.003","90","","90","","90","","5752","2","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51 H51 Cd Cl5 N18 O10 -","- C51 H42 Cd Cl5 N18 O10 -","- C204 H168 Cd4 Cl20 N72 O40 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.1042","0.0575","","","0.1532","0.1968","","","","","","0.983","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211708","22.443","0.019","12.176","0.011","7.998","0.007","90","","107.921","0.019","90","","2080","3","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H38 Cd N14 O9 -","- C34 H28 Cd N14 O9 -","- C68 H56 Cd2 N28 O18 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0719","0.0596","","","0.167","0.1901","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211709","10.252","0.002","13.494","0.003","27.698","0.006","90","","97.34","0.03","90","","3800.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N14 O7 -","- C36 H32 Cd N14 O7 -","- C144 H128 Cd4 N56 O28 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0857","0.0737","","","0.2557","0.2732","","","","","","1.065","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211711","8.5795","0.001","13.7534","0.0012","20.8299","0.0018","90","","90","","90","","2457.9","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Bi Cu N5 O13 -","- C20 H22 Bi Cu N5 O13 -","- C80 H88 Bi4 Cu4 N20 O52 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0168","0.0151","","","0.0353","0.0358","","","","","","0.818","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211712","11.7008","0.0002","31.3666","0.0006","12.3487","0.0002","90","","113.234","0.001","90","","4164.6","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ba Cu2 N6 O14.2 -","- C40 H44 Ba Cu2 N6 O14.2 -","- C160 H176 Ba4 Cu8 N24 O56.8 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0389","0.0283","","","0.0642","0.0696","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211713","14.368","0.002","13.59","0.002","12.525","0.002","90","","106.438","0.007","90","","2345.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cu2 N8 O20 Pb2 -","- C40 H44 Cu2 N8 O20 Pb2 -","- C80 H88 Cu4 N16 O40 Pb4 -","2","0.5","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0253","0.023","","","0.0548","0.0558","","","","","","1.067","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211714","12.6881","0.0004","13.5598","0.0005","15.4935","0.0007","115.935","0.001","96.193","0.001","100.846","0.001","2299.13","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O19 U -","- C40 H48 Cu2 N6 O19 U -","- C80 H96 Cu4 N12 O38 U2 -","2","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0201","0.0187","","","0.0484","0.049","","","","","","1.062","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211715","15.809","0.007","16.566","0.008","21.461","0.008","90","","90","","90","","5620","4","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","tetraethylammonium thiocyanate, bis[(1,2-diiodo)tetrafluorobenzene]","","- C21 H20 F8 I4 N2 S -","- C21 H20 F8 I4 N2 S -","- C168 H160 F64 I32 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.077","0.0518","","","0.126","0.1418","","","","","","0.988","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211716","17.7404","0.0008","22.8074","0.001","12.1785","0.0006","90","","126.259","0.001","90","","3973.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","tetraethylammonium thiocyanate, 1,3-diiodotetrafluorobenzene","","- C15 H20 F4 I2 N2 S -","- C15 H20 F4 I2 N2 S -","- C120 H160 F32 I16 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0236","0.0216","","","0.0531","0.0544","","","","","","1.058","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211717","16.4673","0.0012","16.426","0.0014","24.711","0.002","90","","91.847","0.003","90","","6680.7","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 2/a 1","-P 2ya","13","","Bis(tetraethylammonium thiocyanate), 1,4-diiodotetrafluorobenzene","","- C48 H40 F20 I10 N4 S2 -","- C48 H40 F20 I10 N4 S2 -","- C192 H160 F80 I40 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0763","0.0629","","","0.1496","0.1542","","","","","","1.216","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211718","10.0837","0.0007","22.4174","0.0014","12.9033","0.0008","90","","93.2206","0.0019","90","","2912.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrabutylammonium thiocyanate, 1,4-diiodotetrafluorobenzene","","- C23 H36 F4 I2 N2 S -","- C23 H36 F4 I2 N2 S -","- C92 H144 F16 I8 N8 S4 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0593","0.0317","","","0.0629","0.0738","","","","","","1.009","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211719","8.051","0.0004","21.1985","0.0012","13.2534","0.0005","90","","100.872","0.002","90","","2221.35","0.19","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F3 I3 N2 S -","- C15 H20 F3 I3 N2 S -","- C60 H80 F12 I12 N8 S4 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0253","0.0203","","","0.0391","0.0407","","","","","","1.036","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211720","17.574","0.004","18.064","0.004","16.31","0.003","90","","97.42","0.03","90","","5134.4","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sym-C6F3I3, (TBASCN)2","Bis(tetrabutylammonium thiocyanate), 1,3,5-triiodo-2,4,7-trifluorobenzene","","- C40 H72 F3 I3 N4 S2 -","- C40 H72 F3 I3 N4 S2 -","- C160 H288 F12 I12 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0761","0.0457","","","0.1094","0.1374","","","","","","1.104","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211721","11.689","0.01","18.209","0.015","8.209","0.007","90","","110.557","0.002","90","","1636","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd N4 O5 -","- C15 H12 Cd N4 O5 -","- C60 H48 Cd4 N16 O20 -","4","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0865","0.0454","","","0.0758","0.0841","","","","","","0.875","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211722","13.0295","0.0017","13.8924","0.0018","7.6163","0.001","90","","90","0.002","90","","1378.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N4 O4 -","- C13 H9 Cd N4 O4 -","- C52 H36 Cd4 N16 O16 -","4","0.5","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0275","0.0265","","","0.0686","0.0693","","","","","","1.12","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211723","10.7731","0.0015","12.8762","0.0018","13.8455","0.0019","99.387","0.001","111.108","0.002","106.958","0.003","1634.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cd2 N8 O15 S -","- C26 H18 Cd2 N8 O15 S -","- C52 H36 Cd4 N16 O30 S2 -","2","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0901","0.0546","","","0.0913","0.1024","","","","","","0.879","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211724","32.732","0.003","8.333","0.0008","17.4514","0.0015","90","","91.845","0.002","90","","4757.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cd N8 O5 -","- C26 H18 Cd N8 O5 -","- C208 H144 Cd8 N64 O40 -","8","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.046","0.0417","","","0.1033","0.1061","","","","","","1.141","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211725","23.958","0.002","23.958","0.002","15.0646","0.0016","90","","90","","90","","8646.9","1.4","200","2","200","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45.5 H36.83 N9.83 O1.83 Zn -","- C26.6667 H16 N5.33333 Zn0.666667 -","- C320 H192 N64 Zn8 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","1.54178","CuKα","","0.0827","0.0589","","","0.1525","0.164","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211726","32.437","0.0012","14.9728","0.0004","27.7263","0.001","90","","114.155","0.004","90","","12286.9","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H40.33 N10.33 O2.33 Zn -","- C47 H40.3333 N10.3333 O2.33333 Zn -","- C564 H484 N124 O28 Zn12 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","0.71073","MoKα","","0.0937","0.0437","","","0.0928","0.1007","","","","","","0.83","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211727","12.7667","0.0016","17.478","0.002","20.151","0.003","112.292","0.002","95.972","0.002","98.064","0.002","4058.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N10 O2 Zn -","- C46 H38 N10 O2 Zn -","- C184 H152 N40 O8 Zn4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","0.71073","MoKα","","0.0488","0.0381","","","0.088","0.0923","","","","","","1.069","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211728","14.1299","0.0003","15.0607","0.0002","18.9204","0.0003","95.725","0.001","108.508","0.002","102.781","0.002","3660.09","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H90 Gd N2 O30 P S4 -","- C64 H90 Gd N2 O30 P S4 -","- C128 H180 Gd2 N4 O60 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers","CrystEngComm","2010","12","2","573","","10.1039/b913826a","","","0.71073","MoKα","","0.0468","0.0324","","","0.0771","0.0797","","","","","","1.006","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211729","14.3621","0.0002","14.4461","0.0002","19.9814","0.0003","99.588","0.001","104.357","0.001","106.15","0.001","3732.08","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H94 Gd N2 O32 P S4 -","- C65 H94 Gd N2 O32 P S4 -","- C130 H188 Gd2 N4 O64 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers","CrystEngComm","2010","12","2","573","","10.1039/b913826a","","","0.71073","MoKα","","0.0896","0.0698","","","0.197","0.2089","","","","","","1.008","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211730","10.383","0.004","10.589","0.004","13.43","0.005","97.769","0.004","91.815","0.004","92.824","0.004","1460.1","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Co N3 O11 S -","- C31 H21 Co N3 O11 S -","- C62 H42 Co2 N6 O22 S2 -","2","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0952","0.0815","","","0.2411","0.2512","","","","","","1.138","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211731","7.7399","0.0009","14.1982","0.0017","18.887","0.002","92.863","0.002","100.801","0.002","93.957","0.002","2029.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Co2 N4 O16 S -","- C40 H34 Co2 N4 O16 S -","- C80 H68 Co4 N8 O32 S2 -","2","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0878","0.0511","","","0.1097","0.1342","","","","","","1.039","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211732","7.3235","0.0006","23.2694","0.0018","23.6456","0.0018","90","","98.442","0.001","90","","3985.9","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Mn2 N4 O15 S -","- C40 H32 Mn2 N4 O15 S -","- C160 H128 Mn8 N16 O60 S4 -","4","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0569","0.0395","","","0.1019","0.1129","","","","","","1.047","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211733","12.826","0.003","38.75","0.008","7.3476","0.0014","90","","94.165","0.002","90","","3642.2","1.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Mn2 N4 O14 S -","- C36 H30 Mn2 N4 O14 S -","- C144 H120 Mn8 N16 O56 S4 -","4","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0527","0.0403","","","0.0995","0.1059","","","","","","1.091","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211734","17.581","0.002","27.365","0.003","8.8889","0.0011","90","","90","","90","","4276.5","0.9","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H38 Mn2 N4 O16 S -","- C40 H38 Mn2 N4 O16 S -","- C160 H152 Mn8 N16 O64 S4 -","4","","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0609","0.0523","","","0.1435","0.1514","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211735","7.4685","0.0012","18.677","0.003","21.713","0.003","90","","105.671","0.004","90","","2916.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O10 S -","- C30 H20 Cd2 N4 O10 S -","- C120 H80 Cd8 N16 O40 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0514","0.0353","","","0.0994","0.1134","","","","","","1.076","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211736","10.4927","0.0013","10.6448","0.0014","45.543","0.006","90","","90","","90","","5086.8","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 N8 O10 S Zn2 -","- C56 H42 N8 O10 S Zn2 -","- C224 H168 N32 O40 S4 Zn8 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0449","0.0353","","","0.0733","0.0761","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211737","13.8544","0.0013","14.6245","0.0013","17.9282","0.0017","90","","90","","90","","3632.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Cd N6 O9 S -","- C35 H38 Cd N6 O9 S -","- C140 H152 Cd4 N24 O36 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0535","0.0399","","","0.0869","0.1037","","","","","","1.033","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211738","6.039","0.003","29.302","0.015","17.045","0.008","90","","98.896","0.007","90","","2980","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Co N4 O6 S -","- C34 H26 Co N4 O6 S -","- C136 H104 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0793","0.0511","","","0.0877","0.0983","","","","","","0.992","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211739","8.7329","0.0002","11.2712","0.0003","27.1832","0.0007","90","","90","","90","","2675.65","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Co N4 O6 S -","- C28 H22 Co N4 O6 S -","- C112 H88 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0553","0.0415","","","0.089","0.1031","","","","","","1.068","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211740","8.2591","0.0017","10.651","0.002","13.12","0.003","93.858","0.002","103.532","0.002","107.906","0.002","1055.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O38 Sm4 -","- C22 H34 N2 O38 Sm4 -","- C22 H34 N2 O38 Sm4 -","1","0.5","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0306","0.0253","","","0.0572","0.0601","","","","","","1.087","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211741","8.2119","0.001","10.5846","0.0013","13.0751","0.0016","94.001","0.001","103.302","0.001","107.72","0.001","1041.5","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Gd2 N O19 -","- C11 H17 Gd2 N O19 -","- C22 H34 Gd4 N2 O38 -","2","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0269","0.0222","","","0.0475","0.0501","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211742","8.8003","0.0008","14.0615","0.0013","11.8535","0.0011","90","","93.024","0.001","90","","1464.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Gd N2 O9 -","- C9 H14 Gd N2 O9 -","- C36 H56 Gd4 N8 O36 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0209","0.0199","","","0.0536","0.0544","","","","","","1.08","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211743","18.8558","0.0019","6.5831","0.0007","18.7543","0.0019","90","","90","","90","","2328","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 Ce2 N2 O19 S -","- C14 H20 Ce2 N2 O19 S -","- C56 H80 Ce8 N8 O76 S4 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0267","0.0234","","","0.0502","0.052","","","","","","1.065","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211744","8.0708","0.0006","10.1838","0.0007","11.5445","0.0008","89.551","0.001","86.185","0.001","67.561","0.001","874.92","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cd Cl2 F4 N12 O12 -","- C26 H28 Cd Cl2 F4 N12 O12 -","- C26 H28 Cd Cl2 F4 N12 O12 -","1","0.5","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0323","0.0297","","","0.081","0.0825","","","","","","1.052","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211745","10.816","0.003","15.076","0.004","15.098","0.004","79.599","0.004","89.568","0.004","89.695","0.004","2421.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cd F6 N20 O9.5 -","- C39 H37 Cd F6 N20 O9.5 -","- C78 H74 Cd2 F12 N40 O19 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0423","0.0327","","","0.083","0.0862","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211746","10.6019","0.0009","12.0311","0.0011","14.5296","0.0012","87.735","0.002","77.347","0.002","75.328","0.002","1749.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cd Cl F4 N13 O6 S -","- C27 H24 Cd Cl F4 N13 O6 S -","- C54 H48 Cd2 Cl2 F8 N26 O12 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0867","0.0513","","","0.0943","0.114","","","","","","1.023","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211747","10.693","0.006","12.064","0.007","14.206","0.008","87.859","0.007","77.101","0.007","74.224","0.007","1718.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Cd F4 N14 O5 S -","- C27 H24 Cd F4 N14 O5 S -","- C54 H48 Cd2 F8 N28 O10 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0401","0.0314","","","0.0808","0.0849","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211748","10.418","0.007","11.828","0.008","14.374","0.009","89.593","0.009","71.405","0.009","77.472","0.008","1635.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cd Cl F4 N13 O2 S -","- C27 H24 Cd Cl F4 N13 O2 S -","- C54 H48 Cd2 Cl2 F8 N26 O4 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0672","0.0502","","","0.132","0.1415","","","","","","0.996","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211749","8.965","0.006","12.605","0.009","17.485","0.014","90","","114.149","0.014","90","","1803","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd F4 N14 O4 S2 -","- C28 H28 Cd F4 N14 O4 S2 -","- C56 H56 Cd2 F8 N28 O8 S4 -","2","0.5","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.196","0.0889","","","0.17","0.2175","","","","","","0.956","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211750","14.502","0.004","18.01","0.005","22.474","0.006","90","","105.787","0.005","90","","5648","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H32 F12 N4 O8 Zn2 -","- C58 H32 F12 N4 O8 Zn2 -","- C232 H128 F48 N16 O32 Zn8 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1353","0.0524","","","0.0935","0.1111","","","","","","1.005","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211751","14.0527","0.0008","14.4139","0.0008","14.9697","0.0008","90","","117.794","0.001","90","","2682.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F6 N3 O4 Zn -","- C27 H17 F6 N3 O4 Zn -","- C108 H68 F24 N12 O16 Zn4 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.112","0.0649","","","0.0999","0.1128","","","","","","1.083","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211752","12.468","0.002","17.796","0.003","13.267","0.003","90","","105.031","0.003","90","","2843","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 F6 N2 O4 Zn -","- C30 H22 F6 N2 O4 Zn -","- C120 H88 F24 N8 O16 Zn4 -","4","0.5","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1275","0.0808","","","0.1194","0.1326","","","","","","1.145","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211753","31.3355","0.0012","15.4292","0.0006","23.8481","0.0009","90","","91.552","0.001","90","","11525.9","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 F12 N4 O8 Zn2 -","- C58 H36 F12 N4 O8 Zn2 -","- C464 H288 F96 N32 O64 Zn16 -","8","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.199","0.1123","","","0.1081","0.1254","","","","","","1.192","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211754","23.7684","0.001","12.5542","0.0005","14.115","0.0006","90","","93.759","0.001","90","","4202.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 F12 N2 O8 Zn2 -","- C44 H24 F12 N2 O8 Zn2 -","- C176 H96 F48 N8 O32 Zn8 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1404","0.0801","","","0.1166","0.1318","","","","","","1.117","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211755","12.941","0.002","6.9994","0.0012","23.738","0.004","90","","118.131","0.003","90","","1896.2","0.5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 F6 O5 Zn -","- C17 H10 F6 O5 Zn -","- C68 H40 F24 O20 Zn4 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.0722","0.0408","","","0.0909","0.0963","","","","","","0.971","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211756","13.0066","0.0008","21.6122","0.0013","17.6985","0.0011","90","","111.093","0.001","90","","4641.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bis(triphenylphosphine-P)(N-diisopropoxythiophosphoryl-N`- tert-buthylthiocarbamido-S,S`)copper(i)","","","- C47 H54 Cu N2 O2 P3 S2 -","- C47 H54 Cu N2 O2 P3 S2 -","- C188 H216 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0453","0.032","","","0.0806","0.0885","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211757","12.7328","0.0008","21.3708","0.0012","16.9009","0.001","90","","105.617","0.005","90","","4429.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H50 Cu N2 O2 P3 S2 -","- C45 H50 Cu N2 O2 P3 S2 -","- C180 H200 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0324","0.0305","","","0.0786","0.0795","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211758","12.8828","0.0015","21.032","0.002","17.227","0.002","90","","109.286","0.003","90","","4405.7","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cu N2 O2 P3 S2 -","- C46 H52 Cu N2 O2 P3 S2 -","- C184 H208 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0793","0.0558","","","0.1325","0.146","","","","","","1.022","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211759","10.7497","0.0007","12.5836","0.0008","16.4356","0.0011","83.842","0.005","83.922","0.005","78.782","0.005","2159.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 Cu N2 O2 P3 S2 -","- C44 H48 Cu N2 O2 P3 S2 -","- C88 H96 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0525","0.0392","","","0.0956","0.1003","","","","","","0.95","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211760","11.465","0.0005","14.3083","0.0007","17.0891","0.0008","109.818","0.004","90.221","0.004","112.994","0.004","2397.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 Cu N2 O2 P3 S2 -","- C51 H54 Cu N2 O2 P3 S2 -","- C102 H108 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0381","0.0305","","","0.0749","0.0773","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211761","13.5587","0.0006","17.5724","0.0004","27.298","0.001","90","","98.651","0.003","90","","6430","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 Cu2 I N2 O3 P5 S2 -","- C66 H70 Cu2 I N2 O3 P5 S2 -","- C264 H280 Cu8 I4 N8 O12 P20 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0424","0.0314","","","0.0747","0.0776","","","","","","0.941","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211762","10.7751","0.0005","11.7916","0.0005","16.6198","0.0008","76.507","0.004","83.057","0.004","71.394","0.004","1943.56","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 Cu N2 O2 P3 S2 -","- C39 H44 Cu N2 O2 P3 S2 -","- C78 H88 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0471","0.0374","","","0.0878","0.0917","","","","","","1.035","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211763","12.7625","0.0005","28.9176","0.0012","22.7401","0.0008","90","","96.515","0.003","90","","8338.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cu N2 O2 P3 S2 -","- C42 H50 Cu N2 O2 P3 S2 -","- C336 H400 Cu8 N16 O16 P24 S16 -","8","2","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.1259","0.0654","","","0.1027","0.1179","","","","","","1.044","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211764","10.3331","0.0003","30.3668","0.0006","11.9019","0.0003","90","","96.807","0.002","90","","3708.29","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cu N2 O2 P3 S2 -","- C35 H44 Cu N2 O2 P3 S2 -","- C140 H176 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0272","0.0257","","","0.0633","0.0642","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211765","11.627","0.002","12.865","0.003","14.183","0.003","108.78","0.03","106.05","0.03","96.98","0.03","1877.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cl4 Er3 N12 O14.5 -","- C12 H44 Cl4 Er3 N12 O14.5 -","- C24 H88 Cl8 Er6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0596","0.0505","","","0.1239","0.1292","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211766","11.622","0.002","12.889","0.003","14.169","0.003","108.72","0.03","106.11","0.03","96.88","0.03","1879.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Cl4 Ho3 N12 O14.5 -","- C12 H30 Cl4 Ho3 N12 O14.5 -","- C24 H60 Cl8 Ho6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0633","0.0539","","","0.1343","0.1417","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211767","11.613","0.002","12.916","0.003","14.153","0.003","108.55","0.03","106.14","0.03","96.85","0.03","1882.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Cl4 Dy3 N12 O14.5 -","- C12 H30 Cl4 Dy3 N12 O14.5 -","- C24 H60 Cl8 Dy6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0351","0.032","","","0.0797","0.0812","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211768","19.543","0.009","24.565","0.005","13.837","0.003","90","","90","","90","","6643","4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H25 Cl4 Gd3 N8 O16 -","- C8 H25 Cl4 Gd3 N8 O16 -","- C64 H200 Cl32 Gd24 N64 O128 -","8","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0744","0.0553","","","0.1181","0.1271","","","","","","1.103","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211769","14.27","0.003","13.896","0.003","19.504","0.007","90","","120.6","0.02","90","","3329","1.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H25 Cl4 N8 O16 Tb3 -","- C8 H25 Cl4 N8 O16 Tb3 -","- C32 H100 Cl16 N32 O64 Tb12 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0946","0.0544","","","0.1048","0.1173","","","","","","1.081","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211772","13.207","0.006","5.347","0.002","18.891","0.007","90","","116.37","0.02","90","","1195.2","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Arlin, Jean-Baptiste; Johnston, Andrea; Miller, Gary J.; Kennedy, Alan R.; Price, Sarah L.; Florence, Alastair J.","A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV)","CrystEngComm","2010","12","1","64","","10.1039/b914365c","","","0.71073","MoKα","","0.0806","0.0427","","","0.084","0.0983","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211773","9.804","0.004","11.001","0.004","20.153","0.008","92.799","0.009","98.239","0.009","109.087","0.008","2022.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cr N2 O13 P -","- C40 H32 Cr N2 O13 P -","- C80 H64 Cr2 N4 O26 P2 -","2","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1289","0.0619","","","0.1596","0.1996","","","","","","1.014","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211774","9.7453","0.0008","10.9615","0.0009","20.0602","0.0017","93.031","0.002","99.433","0.002","108.355","0.002","1993.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 As Cr N2 O13 -","- C40 H42 As Cr N2 O13 -","- C80 H84 As2 Cr2 N4 O26 -","2","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.0298","0.0263","","","0.0711","0.0735","","","","","","1.056","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211775","19.493","0.008","9.687","0.004","24.2","0.009","90","","98.736","0.01","90","","4517","3","213","2","213","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C64 H90 Ba2 Cr4 N8 O53 -","- C64 H48 Ba2 Cr4 N8 O53 -","- C128 H96 Ba4 Cr8 N16 O106 -","2","0.5","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1149","0.0553","","","0.1241","0.1483","","","","","","1.053","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211776","10.106","0.004","12.278","0.005","17.285","0.007","90","","92.851","0.009","90","","2142.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ag Cr N2 O12 -","- C16 H12 Ag Cr N2 O12 -","- C64 H48 Ag4 Cr4 N8 O48 -","4","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1417","0.0681","","","0.179","0.2153","","","","","","1.045","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211777","13.806","0.002","13.806","0.002","23.27","0.005","90","","90","","120","","3841.2","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2","","","- C54 H66 N8 Ni7 O24 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.1209","0.0802","","","0.2446","0.2662","","","","","","1.091","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211778","13.933","0.002","13.933","0.002","22.742","0.005","90","","90","","120","","3823.4","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2.3MeNO2","","","- C57 H75 N11 Ni7 O24 -","- C57 H60 N11 Ni7 O30 -","- C114 H120 N22 Ni14 O60 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.064","0.0502","","","0.1676","0.1725","","","","","","1.191","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211779","28.8575","0.0014","11.1352","0.0003","27.4079","0.0013","90","","109.603","0.006","90","","8296.6","0.7","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Ni7(OH)6(L2)6)(NO3)2.2MeCN","","","- C58 H66 Br6 N10 Ni7 O24 -","- C58 H66 Br6 N10 Ni7 O24 -","- C232 H264 Br24 N40 Ni28 O96 -","4","0.5","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.109","0.0511","","","0.1217","0.1325","","","","","","0.852","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211780","23.033","0.003","14.036","0.002","27.135","0.004","90","","98.508","0.003","90","","8676","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EH-01-64-02 (ethylpropion-3-yl) nitro- spiropyran","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C384 H416 N32 O80 -","16","4","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.2143","0.0849","","","0.1995","0.2481","","","","","","1.097","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211781","15.1881","0.0013","12.6063","0.001","12.1356","0.001","90","","103.863","0.003","90","","2255.9","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","EH-01-65-10 (ethylpropion-3-yl) methoxy nitro- spiropyran","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0474","0.0406","","","0.1022","0.1082","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211782","6.7336","0.0003","30.1846","0.0012","9.5144","0.0004","90","","96.314","0.002","90","","1922.08","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","EH-01-64-04 nitro- methoxy- hydroxyethyl spiropyran","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0498","0.0408","","","0.1139","0.1205","","","","","","1.037","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211783","17.1458","0.0009","9.6805","0.0005","15.0694","0.0008","90","","90","","90","","2501.2","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 I3 N3 O8 Pb -","- C18 H18 I3 N3 O8 Pb -","- C72 H72 I12 N12 O32 Pb4 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0327","0.0309","","","0.0724","0.0735","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211784","9.3959","0.0009","9.3959","0.0009","12.2406","0.0012","90","","90","","120","","935.86","0.16","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C8 H2 I3 N O4 Pb -","- C8 H2 I3 N O4 Pb -","- C24 H6 I9 N3 O12 Pb3 -","3","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.034","0.0291","","","0.0527","0.0541","","","","","","1.026","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211785","28.218","0.002","28.218","0.002","17.741","0.001","90","","90","","120","","12233.8","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H10 I3 N5 O5 Pb -","- C14 H10 I3 N5 O5 Pb -","- C252 H180 I54 N90 O90 Pb18 -","18","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0865","0.048","","","0.1375","0.1574","","","","","","1.079","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211786","9.3044","0.0009","15.8623","0.0015","18.9924","0.0018","90","","90","","90","","2803.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 I3 N O5 -","- C8 H6 I3 N O5 -","- C64 H48 I24 N8 O40 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0366","0.0328","","","0.0739","0.0755","","","","","","1.129","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211787","5.181","0.002","12.677","0.007","19.161","0.01","90","","92.237","0.013","90","","1257.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Li3 O32 W8 Y3 -","- Ba2 Li3 O32 W8 Y3 -","- Ba4 Li6 O64 W16 Y6 -","2","0.25","","Li, Hao; Wang, Guojian; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Growth and structure of Nd3±doped Li3Ba2Y3(WO4)8 crystal with a disorder structure","CrystEngComm","2010","12","4","1307","","10.1039/b914641e","","","0.71073","MoKα","","0.0523","0.0462","","","0.0978","0.101","","","","","","1.056","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211788","19.892","0.004","16.078","0.003","28.362","0.006","90","","90","","90","","9071","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Co2 Mo8 N10 O48 P V6 -","- C60 H32 Co2 Mo8 N10 O48 P V6 -","- C240 H128 Co8 Mo32 N40 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0865","0.0576","","","0.1466","0.169","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211789","19.809","0.004","16.058","0.003","28.211","0.006","90","","90","","90","","8974","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Mo8 N10 Ni2 O48 P V6 -","- C60 H32 Mo8 N10 Ni2 O48 P V6 -","- C240 H128 Mo32 N40 Ni8 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0725","0.0521","","","0.1349","0.1501","","","","","","1.061","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211790","13.537","0.003","13.544","0.003","13.894","0.003","116.77","0.03","96.74","0.03","93.5","0.03","2239.9","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H49 Mo8 N10 O46 P V6 Zn2 -","- C58 H32 Mo8 N10 O46 P V6 Zn2 -","- C58 H32 Mo8 N10 O46 P V6 Zn2 -","1","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.1218","0.067","","","0.2083","0.2416","","","","","","1.082","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211791","24.189","0.005","12.933","0.003","25.434","0.005","90","","117","0.03","90","","7089","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Co Mo8 N5 O46 P V6 -","- C29 H16 Co Mo8 N5 O46 P V6 -","- C116 H64 Co4 Mo32 N20 O184 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0715","0.0607","","","0.1925","0.2036","","","","","","1.087","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211792","23.891","0.005","12.987","0.003","25.694","0.005","90","","116.07","0.03","90","","7161","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Co Mo8 N8 O47 P V6 -","- C30 H16 Co Mo8 N8 O47 P V6 -","- C120 H64 Co4 Mo32 N32 O188 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0646","0.0543","","","0.1713","0.1802","","","","","","1.088","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211793","20.258","0.003","4.7728","0.0006","21.145","0.003","90","","90","","90","","2044.5","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 Cu N3 O9 -","- C18 H21 Cu N3 O9 -","- C72 H84 Cu4 N12 O36 -","4","1","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.043","0.0339","","","0.083","0.087","","","","","","1.058","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211794","29.09","0.004","9.1837","0.0011","21.114","0.003","90","","127.764","0.001","90","","4459.2","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H43 Cl2 Cu3 N9 O18 -","- C40 H39 Cl2 Cu3 N9 O18 -","- C160 H156 Cl8 Cu12 N36 O72 -","4","0.5","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.0531","0.0396","","","0.0961","0.1025","","","","","","1.087","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211795","23.5744","0.0003","23.5744","0.0003","15.0025","0.0003","90","","90","","90","","8337.7","0.2","110","2","110","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C320 H192 N64 Zn8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1322","0.0657","","","0.1693","0.1866","","","","","","0.903","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211796","20.8956","0.0007","13.6507","0.0005","14.6756","0.0007","90","","106.202","0.0013","90","","4019.8","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C160 H96 N32 Zn4 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1269","0.0749","","","0.1935","0.2076","","","","","","1.043","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211797","18.21","0.004","7.692","0.002","4.6608","0.0007","90","","90","","90","","652.8","0.2","185","2","185","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Methanol chloroform clathrate (1:1)","Methanol chloroform clathrate (1:1)","","- C2 H5 Cl3 O -","- C2 H5 Cl3 O -","- C8 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.066","0.0461","","","0.1173","0.1309","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211798","9.9104","0.0013","9.6599","0.0014","10.1505","0.0015","90","","106.05","0.02","90","","933.9","0.2","178","1","178","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclopentanone chloroform clathrate (1:1)","cyclopentanone chloroform clathrate (1:1)","","- C6 H9 Cl3 O -","- C6 H9 Cl3 O -","- C24 H36 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0458","0.0352","","","0.0925","0.0994","","","","","","1.032","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211799","6.044","0.0012","9.0987","0.0018","9.5963","0.0019","98.82","0.03","100.43","0.03","97.22","0.03","506.44","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","cyclohexanone chloroform clathrate (1:1)","cyclohexanone chloroform clathrate (1:1)","","- C7 H11 Cl3 O -","- C7 H11 Cl3 O -","- C14 H22 Cl6 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.0346","0.03","","","0.0778","0.0816","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211800","8.284","0.0007","8.67","0.0009","12.829","0.0015","90","","107.1","0.03","90","","880.7","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","dimethylformamide chloroform clathrate (1:1)","dimethylformamide chloroform clathrate (1:1)","","- C4 H8 Cl3 N O -","- C4 H8 Cl3 N O -","- C16 H32 Cl12 N4 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.0537","0.0498","","","0.1326","0.1356","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211801","7.1434","0.0009","10.4147","0.0015","13.2477","0.0018","90","","90","","90","","985.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylamine chloroform clathrate (1:1)","diethylamine chloroform clathrate (1:1)","","- C5 H12 Cl3 N -","- C5 H12 Cl3 N -","- C20 H48 Cl12 N4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0422","0.0365","","","0.0933","0.0991","","","","","","1.016","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211802","7.4422","0.0006","9.4578","0.0007","5.8025","0.0004","90","","90","","90","","408.42","0.05","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","trichloromethane","trichloromethane","","- C H Cl3 -","- C H Cl3 -","- C4 H4 Cl12 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0188","0.0172","","","0.0483","0.0494","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211803","19.71","0.009","3.7857","0.0016","11.663","0.005","90","","103.23","0.002","90","","847.2","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br Cu2 N5 -","- C6 H4 Br Cu2 N5 -","- C24 H16 Br4 Cu8 N20 -","4","1","","Wang, Fei; Zhang, Jian; Yu, Rongmin; Chen, Shu-Mei; Wu, Xiao-Yuan; Chen, Shan-Ci; Xie, Yi-Ming; Zhou, Wei-Wei; Lu, Can-Zhong","Topological derivation from centrosymmetry to noncentrosymmetry in a three-dimensional polar framework material","CrystEngComm","2010","12","3","671","","10.1039/b915001c","","","0.71073","MoKα","","0.0287","0.0264","","","0.0683","0.0692","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211804","8.7366","0.001","14.4942","0.0016","16.4072","0.0018","104.605","0.002","94.579","0.002","101.574","0.002","1950.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'- bipyridine","2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'-bipyridine","","- C44 H40 N4 O12 -","- C44 H40 N4 O12 -","- C88 H80 N8 O24 -","2","1","","Saha, Binoy K.; Bhattacharya, Suman","Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine","CrystEngComm","2010","12","8","2369","","10.1039/b915005f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1516","0.168","","","","","","1.013","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211805","9.534","0.002","10.294","0.003","15.627","0.005","74.53","0.005","81.411","0.005","64.073","0.004","1328.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine","2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine","","- C31 H23 N5 O6 -","- C31 H23 N5 O6 -","- C62 H46 N10 O12 -","2","1","","Saha, Binoy K.; Bhattacharya, Suman","Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine","CrystEngComm","2010","12","8","2369","","10.1039/b915005f","","","0.71073","MoKα","","0.0923","0.0529","","","0.1186","0.1362","","","","","","0.999","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211806","16.2107","0.0004","14.9781","0.0004","7.9573","0.0002","90","","92.069","0.001","90","","1930.82","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Ag Cl N2 O11 Tb -","- C14 H13 Ag Cl N2 O11 Tb -","- C56 H52 Ag4 Cl4 N8 O44 Tb4 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0215","0.0189","","","0.0475","0.049","","","","","","1.012","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211807","16.2107","0.0004","14.9781","0.0004","7.9573","0.0002","90","","92.069","0.001","90","","1930.82","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Ag Cl Ho N2 O11 -","- C14 H13 Ag Cl Ho N2 O11 -","- C56 H52 Ag4 Cl4 Ho4 N8 O44 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0313","0.0235","","","0.049","0.0521","","","","","","1.011","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211808","8.3112","0.0004","9.9605","0.0004","16.4964","0.0007","90.699","0.002","103.392","0.002","110.548","0.002","1237.41","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","1","0.5","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0652","0.0631","","","0.188","0.1889","","","","","","1.163","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211809","21.728","0.002","9.3675","0.001","17.4117","0.0018","90","","109.202","0.002","90","","3346.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag Ce N2 O9 -","- C14 H10 Ag Ce N2 O9 -","- C112 H80 Ag8 Ce8 N16 O72 -","8","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0685","0.0448","","","0.0943","0.1048","","","","","","1.062","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211810","22.0591","0.0002","9.2269","0.0001","17.1097","0.0003","90","","108.214","0.001","90","","3307.97","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Sm -","- C14 H10 Ag N2 O9 Sm -","- C112 H80 Ag8 N16 O72 Sm8 -","8","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.038","0.0258","","","0.0528","0.0575","","","","","","1.032","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211811","7.6815","0.0001","18.9433","0.0004","12.1566","0.0002","90","","106.929","0.001","90","","1692.29","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag La N2 O9 -","- C15 H12 Ag La N2 O9 -","- C60 H48 Ag4 La4 N8 O36 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0392","0.0324","","","0.0711","0.074","","","","","","1.119","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211812","7.5983","0.0001","18.8221","0.0002","12.1","0.0002","90","","106.648","0.001","90","","1657.96","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag N2 Nd O9 -","- C15 H12 Ag N2 Nd O9 -","- C60 H48 Ag4 N8 Nd4 O36 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0261","0.0217","","","0.0465","0.0483","","","","","","1.058","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211813","14.367","0.0006","15.0764","0.0006","17.3874","0.0006","85.911","0.002","83.182","0.003","84.224","0.003","3713.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H56 Ag4 Cl2 La3 N8 O37.5 -","- C54 H56.01 Ag4 Cl2 La3 N8 O37.505 -","- C108 H112.02 Ag8 Cl4 La6 N16 O75.01 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0907","0.0494","","","0.1024","0.1159","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211814","14.0535","0.0004","14.8033","0.0004","17.3184","0.0004","86.265","0.002","84.502","0.002","84.233","0.002","3562.55","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52.25 Ag4 Cl2 N8 O35.63 Sm3 -","- C54 H52.254 Ag4 Cl2 N8 O35.627 Sm3 -","- C108 H104.508 Ag8 Cl4 N16 O71.254 Sm6 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.098","0.0586","","","0.1311","0.146","","","","","","0.972","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211815","8.0578","0.0002","10.6254","0.0002","17.1987","0.0003","82.343","0.001","78.997","0.001","71.053","0.001","1363.09","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","1","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.03","0.0259","","","0.051","0.0527","","","","","","0.977","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211816","14.388","0.0002","15.0923","0.0002","17.3671","0.0002","86.038","0.001","83.144","0.001","84.315","0.001","3719.58","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H56 Ag4 Cl2 Lu3 N8 O37 -","- C54 H56 Ag4 Cl2 Lu3 N8 O37 -","- C108 H112 Ag8 Cl4 Lu6 N16 O74 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.1124","0.0796","","","0.2356","0.2603","","","","","","1.097","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211817","8.3624","0.0005","16.903","0.001","17.3261","0.001","93.234","0.004","97.017","0.004","100.01","0.004","2386.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Ag3 Cl Eu2 N7 O26 -","- C37 H34 Ag3 Cl Eu2 N7 O26 -","- C74 H68 Ag6 Cl2 Eu4 N14 O52 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.1267","0.1008","","","0.2539","0.2664","","","","","","1.131","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211818","5.8629","0.0002","8.488","0.0003","8.874","0.0003","108.55","0.002","103.457","0.002","102.463","0.002","386.53","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Ag N2 O8 -","- C12 H17 Ag N2 O8 -","- C12 H17 Ag N2 O8 -","1","0.5","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0209","0.0199","","","0.0516","0.0523","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211819","11.676","0.005","14.352","0.005","16.06","0.005","69.709","0.005","72.71","0.005","86.738","0.005","2407","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Ce4 N4 O85 W12 -","- C14 H17 Ce2 N2 O42 W6 -","- C28 H34 Ce4 N4 O84 W12 -","2","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1054","0.0869","","","0.1815","0.1897","","","","","","1.158","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211820","11.616","0.005","14.3","0.005","15.954","0.005","69.947","0.005","72.674","0.005","86.799","0.005","2373.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 Nd2 O44 W6 -","- C14 H16 N2 Nd2 O44 W6 -","- C28 H32 N4 Nd4 O88 W12 -","2","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1086","0.0848","","","0.1695","0.1777","","","","","","1.153","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211821","23.426","0.005","20.471","0.005","29.406","0.005","90","0.005","90","0.005","90","0.005","14102","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 Nd3 O72 W12 -","- C21 H29 N3 Nd3 O72 W12 -","- C168 H232 N24 Nd24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0647","0.0435","","","0.0992","0.1057","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211822","23.44","0.005","20.489","0.005","29.486","0.005","90","0.005","90","0.005","90","0.005","14161","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O72 Pr3 W12 -","- C21 H29 N3 O72 Pr3 W12 -","- C168 H232 N24 O576 Pr24 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1019","0.0506","","","0.0945","0.1122","","","","","","1.012","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211823","23.472","0.005","20.489","0.005","29.669","0.005","90","0.005","90","0.005","90","0.005","14268","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Ce3 N3 O72 W12 -","- C21 H29 Ce3 N3 O72 W12 -","- C168 H232 Ce24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0881","0.048","","","0.1039","0.1239","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211824","23.556","0.005","20.499","0.005","29.823","0.005","90","0.005","90","0.005","90","0.005","14401","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 La3 N3 O72 W12 -","- C21 H29 La3 N3 O72 W12 -","- C168 H232 La24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0768","0.0559","","","0.1354","0.1495","","","","","","1.068","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211825","11.726","0.005","14.404","0.005","16.156","0.005","69.428","0.005","72.781","0.005","86.709","0.005","2436.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 La4 N4 O84 W12 -","- C28 H38 La4 N4 O84 W12 -","- C28 H38 La4 N4 O84 W12 -","1","0.5","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1331","0.0933","","","0.1868","0.204","","","","","","1.122","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211826","11.615","0.005","14.312","0.005","16.048","0.005","69.908","0.005","72.805","0.005","86.786","0.005","2390.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cl2 N4 O85 Pr4 W12 -","- C28 H32 Cl2 N4 O85 Pr4 W12 -","- C28 H32 Cl2 N4 O85 Pr4 W12 -","1","0.5","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1203","0.0813","","","0.1538","0.1717","","","","","","1.06","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211827","6.77","0.0003","11.7365","0.0005","30.6874","0.0012","90","","90","","90","","2438.3","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 B F4 N4 O4 -","- C23 H25 B F4 N4 O4 -","- C92 H100 B4 F16 N16 O16 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1038","0.0628","","","0.1682","0.2012","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211828","9.4742","0.0009","10.6945","0.0014","21.747","0.002","90","","90.662","0.005","90","","2203.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N3 O10 -","- C20 H17 Cl2 N3 O10 -","- C80 H68 Cl8 N12 O40 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1233","0.0836","","","0.2197","0.2478","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211829","14.6536","0.0008","22.5764","0.0012","5.3987","0.0003","90","","90","","90","","1786.03","0.17","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0917","0.06","","","0.147","0.1687","","","","","","1.1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211830","33.2881","0.0008","33.2881","0.0008","9.8459","0.0003","90","","90","","120","","9448.5","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H22 Cl N3 O6 -","- C20 H22 Cl N3 O6 -","- C360 H396 Cl18 N54 O108 -","18","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0873","0.065","","","0.2177","0.2491","","","","","","1.162","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211831","10.2608","0.0008","11.4119","0.0008","13.314","0.002","110.27","0.007","107.369","0.007","100.928","0.005","1318.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 N5 Ni2 O24 -","- C39 H61 N5 Ni2 O24 -","- C39 H61 N5 Ni2 O24 -","1","0.5","","Meng, Qing-Guo; Yan, Si-Tang; Kong, Guo-Qiang; Yang, Xiu-Li; Wu, Chuan-De","Formation of a 2D supramolecular water framework via metal‒organic unit templating","CrystEngComm","2010","12","3","688","","10.1039/b915253a","","","0.71073","MoKα","","0.0966","0.0481","","","0.1047","0.1199","","","","","","1.017","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211832","9.8087","0.0014","11.592","0.002","14.463","0.002","90","","103.865","0.012","90","","1596.6","0.4","150","2","150","2","","","","","","","diffusion of ether in mother liquor","6","C 1 2/c 1","-C 2yc","15","Co(II)(dipic)(H2O)(dmso)2","Cobalt(II) dipicolinate water solvate dimethylsulfoxide bis-solvate","","- C11 H17 Co N O7 S2 -","- C11 H17 Co N O7 S2 -","- C44 H68 Co4 N4 O28 S8 -","4","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0291","0.0257","","0.0671","0.064","","","","1.083","1.099","1.099","","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211833","11.294","0.002","10.135","0.002","15.52","0.003","90","","98.32","0.03","90","","1757.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(II)(dipic)(bipy)](MeOH)(H2O)","","","- C18 H17 Co N3 O6 -","- C17.5 H11 Co N3 O5.5 -","- C70 H44 Co4 N12 O22 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.6861","synchrotron","","0.0834","0.0734","","","0.192","0.197","","","","","","1.17","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7211834","10.5281","0.0009","20.152","0.002","7.3501","0.0006","90","","107.539","0.001","90","","1486.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(II) dipic 0.5(4,4-bipy) 2(H2O)] 2(H2O)","","","- C12 H15 Co N2 O8 -","- C12 H15 Co N2 O8 -","- C48 H60 Co4 N8 O32 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0319","0.0268","","","0.0692","0.0715","","","","","","1.045","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211835","25.23","0.002","10.547","0.0009","10.9426","0.0009","90","","109.021","0.001","90","","2752.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(II)(H2O)(dipic)(4,4'-bipy)](H2O)","","","- C24 H28 Co2 N4 O15 -","- C24 H26 Co2 N4 O15 -","- C96 H104 Co8 N16 O60 -","4","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0355","0.0313","","","0.0766","0.079","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211836","11.3573","0.0007","10.245","0.0007","15.6754","0.0013","90","","99.498","0.002","90","","1798.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[dipicolinate Co(II) 4,4-bipy)] hydrated","Co(II) dipicolinate 4,4-bipyridyl complex tris hydrated","","- C17 H17 Co N3 O7 -","- C17 H11 Co N3 O7 -","- C68 H44 Co4 N12 O28 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.148","0.0834","","","0.181","0.204","","","","","","1.18","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211837","11.445","0.005","16.353","0.007","10.25","0.004","90","","90.065","0.005","90","","1918.4","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(II)(dipic)(4,4-bipy)]2(H2O)0.5(dmso)","","","- C18 H18 Co N3 O6.5 S0.5 -","- C18 H11 Co N3 O6.5 S0.5 -","- C72 H44 Co4 N12 O26 S2 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0879","0.0611","","","0.147","0.161","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7211838","8.5299","0.0005","18.6015","0.0011","16.0248","0.001","90","","94.641","0.002","90","","2534.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1.5(4,4-bipy)Ni(picolinate)].DMSO.MeOH","","","- C25 H24 N4 Ni O6 S -","- C24.8 H20.4 N4 Ni O5.9 S -","- C99.2 H81.6 N16 Ni4 O23.6 S4 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0465","0.0401","","","0.1023","0.1047","","","","","","1.141","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7211839","13.1967","0.0007","15.847","0.0008","10.6187","0.0005","90","","100.31","0.002","90","","2184.81","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(II)(dipic)(diazobpe)](H2O)(diazobpe)0.5","","","- C22 H17 N7 Ni O5 -","- C22 H17 N7 Ni O5 -","- C88 H68 N28 Ni4 O20 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.69","synchrotron","","0.062","0.0417","","","0.0904","0.0978","","","","","","1.045","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211840","18.892","0.006","8.215","0.003","14.4","0.004","90","","90","","90","","2234.8","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C96 H64 I8 N8 O16 -","8","0.5","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0715","0.0305","","","0.0548","0.0641","","","","","","0.897","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211841","10.405","0.003","14.441","0.005","8.194","0.002","90","","112.074","0.018","90","","1141","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C48 H32 I4 N4 O8 -","4","1","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0535","0.0281","","","0.0511","0.0576","","","","","","1.022","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211842","8.43","0.0017","8.751","0.0018","11.484","0.002","73.65","0.03","83.56","0.03","78.56","0.03","795.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N10 O8 Zn -","- C32 H30 N10 O8 Zn -","- C32 H30 N10 O8 Zn -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0563","0.0451","","","0.0905","0.0959","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211843","8.485","0.0017","9.878","0.002","11.724","0.002","89.78","0.03","84.81","0.03","69.71","0.03","917.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N5 O4 Zn -","- C20 H13 N5 O4 Zn -","- C40 H26 N10 O8 Zn2 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0646","0.0488","","","0.1128","0.1197","","","","","","1.028","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211844","7.269","0.0015","11.546","0.002","21.291","0.004","90","","90.82","0.03","90","","1786.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 O4 Zn -","- C20 H13 N5 O4 Zn -","- C80 H52 N20 O16 Zn4 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.061","0.0501","","","0.1045","0.1095","","","","","","1.004","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211845","8.854","0.0018","9.706","0.0019","11.506","0.002","72.85","0.03","78.23","0.03","77","0.03","910.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N10 O9 Zn -","- C32 H32 N10 O9 Zn -","- C32 H32 N10 O9 Zn -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0664","0.0554","","","0.1391","0.1447","","","","","","1.005","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211846","8.046","0.0016","9.589","0.0019","19.618","0.004","85.37","0.03","87.38","0.03","70.57","0.03","1422.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N5 O12 Zn2 -","- C28 H25 N5 O12 Zn2 -","- C56 H50 N10 O24 Zn4 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0553","0.0443","","","0.122","0.1278","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211847","12.683","0.003","11.98","0.002","13.597","0.003","90","","97.7","0.03","90","","2047.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 O5 Zn -","- C20 H15 N5 O5 Zn -","- C80 H60 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0535","0.0401","","","0.0895","0.0951","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211848","7.269","0.0015","16.82","0.003","22.264","0.005","90","","98.04","0.03","90","","2695.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N5 O8 Zn2 -","- C28 H17 N5 O8 Zn2 -","- C112 H68 N20 O32 Zn8 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.1101","0.0758","","","0.1173","0.1284","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211849","17.498","0.004","10.193","0.002","23.34","0.005","90","","90.47","0.03","90","","4162.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N10 O10 Zn2 -","- C42 H34 N10 O10 Zn2 -","- C168 H136 N40 O40 Zn8 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.1342","0.0916","","","0.1458","0.1623","","","","","","1.031","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211850","11.2784","0.0013","22.6","0.003","22.521","0.005","104.626","0.014","100.215","0.014","96.241","0.009","5394.9","1.6","90","2","90","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C160 H128 N32 Ni8 O76.53 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","1","1","","Fernández de Luis, Roberto; Urtiaga, Miren Karmele; Mesa, José Luis; Aguayo, Andrés Tomás; Rojo, Teófilo; Arriortua, María Isabel","Four nodal self-catenated [{Ni8(Bpy)16}V24O68]·8.5(H2O), combining three dimensional metal‒organic and inorganic frameworks","CrystEngComm","2010","12","6","1880","","10.1039/b915539b","","x-ray","1.5418","CuKα","","0.0727","0.054","","","0.1314","0.1454","","","","","","1.026","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211851","21.5","0.017","27.568","0.017","7.428","0.005","90","","90","","90","","4403","5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C9 H10 Br Cu N4 -","- C9 H10.5 Br Cu N4 -","- C144 H168 Br16 Cu16 N64 -","16","","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.1361","0.0917","","","0.2555","0.2718","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211852","12.9571","0.0002","12.9571","0.0002","30.97","0.0007","90","","90","","90","","5199.44","0.16","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H12 Cl2 Cu2 N4 -","- C9 H12 Cl2 Cu2 N4 -","- C144 H192 Cl32 Cu32 N64 -","16","0.5","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.0672","0.0589","","","0.1892","0.2025","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211853","3.8822","0.0008","8.09","0.0017","10.318","0.002","96.751","0.004","91.577","0.004","93.729","0.004","320.93","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H3 Cl Cu2 N2 S -","- C4 H3 Cl Cu2 N2 S -","- C8 H6 Cl2 Cu4 N4 S2 -","2","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0713","0.0527","","","0.139","0.1475","","","","","","1.081","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211854","10.764","0.003","7.732","0.002","16.538","0.004","90","","101.929","0.005","90","","1346.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cu3 N5 S3 -","- C9 H6 Cu3 N5 S3 -","- C36 H24 Cu12 N20 S12 -","4","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0654","0.0494","","","0.1022","0.1104","","","","","","1.083","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211855","10.4687","0.0016","7.7318","0.0012","15.289","0.002","90","","95.702","0.003","90","","1231.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu3 I N4 S2 -","- C8 H6 Cu3 I N4 S2 -","- C32 H24 Cu12 I4 N16 S8 -","4","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0833","0.0572","","","0.101","0.1147","","","","","","1.123","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211856","17.3499","0.0012","15.464","0.001","13.2336","0.0009","90","","90","","90","","3550.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cu11 I7 N8 S4 -","- C16 H12 Cu11 I7 N8 S4 -","- C64 H48 Cu44 I28 N32 S16 -","4","0.5","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0714","0.0597","","","0.1599","0.1816","","","","","","1.141","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211857","26.3998","0.0015","11.3528","0.0006","22.2355","0.0012","90","","90","","90","","6664.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0819","0.0721","","","0.1928","0.2023","","","","","","0.991","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211858","26.442","0.003","11.3715","0.0012","22.311","0.002","90","","90","","90","","6708.6","1.2","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0829","0.0692","","","0.1904","0.2028","","","","","","1.041","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211860","20.3711","0.0005","20.3711","0.0005","13.7711","0.0008","90","","90","","90","","5714.8","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C17 H11 Br Cu6 N12 O6 -","- C17 H11 Br Cu6 N12 O6 -","- C136 H88 Br8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.0542","0.0366","","","0.0963","0.1206","","","","","","1.138","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211861","20.321","0.002","20.321","","13.699","0.001","90","","90","","90","","5656.9","0.7","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H11 Cl Cu6 N12 O6 -","- C17 H11 Cl Cu6 N12 O6 -","- C136 H88 Cl8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.1112","0.06","","","0.1533","0.1954","","","","","","1.096","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211862","7.378","0.003","11.238","0.005","11.373","0.005","90.253","0.006","94.771","0.006","105.027","0.005","907.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1053","0.1002","","","0.3411","0.3431","","","","","","1.053","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211863","6.2047","0.0007","17.746","0.002","20.4535","0.0019","90","","99.009","0.003","90","","2224.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O7 Zn -","- C22 H24 N2 O7 Zn -","- C88 H96 N8 O28 Zn4 -","4","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1048","0.046","","","0.0925","0.1225","","","","","","1.074","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211864","8.3194","0.0011","11.3886","0.0015","11.444","0.003","109.818","0.003","92.908","0.003","111.323","0.002","931.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.0628","0.0451","","","0.1274","0.1443","","","","","","1.094","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211865","6.8963","0.0008","9.4798","0.0012","16.697","0.002","90.66","0.002","101.526","0.002","91.251","0.002","1069.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O6 Zn -","- C22 H24 N2 O6 Zn -","- C44 H48 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.0786","0.0625","","","0.1825","0.1919","","","","","","1.055","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211866","9.562","0.004","10.592","0.002","10.94","0.002","115.892","0.004","105.631","0.005","95.654","0.005","929.6","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O5 Zn -","- C21 H20 N2 O5 Zn -","- C42 H40 N4 O10 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1103","0.0673","","","0.1481","0.1567","","","","","","1.064","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211867","6.724","0.0009","11.8927","0.0019","16.302","0.003","90","","94.894","0.01","90","","1298.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 Mg O12 -","- C5 H17 Mg O12 -","- C20 H68 Mg4 O48 -","4","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Lin, Chia-Her; Zima, Vítězslav","Direct-mixing assembly of a magnesium coordination complex as recyclable water adsorbent,","CrystEngComm","2010","12","4","1044","","10.1039/b915987h","","","0.71073","MoKα","","0.1568","0.0633","","","0.136","0.1784","","","","","","0.965","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211868","9.3927","0.0007","10.1933","0.0006","11.1398","0.0007","87.557","0.004","77.136","0.003","69.927","0.004","975.96","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 Mg2 O19 -","- C10 H24 Mg2 O19 -","- C20 H48 Mg4 O38 -","2","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Lin, Chia-Her; Zima, Vítězslav","Direct-mixing assembly of a magnesium coordination complex as recyclable water adsorbent,","CrystEngComm","2010","12","4","1044","","10.1039/b915987h","","","0.71073","MoKα","","0.0962","0.047","","","0.1037","0.1228","","","","","","1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211869","19.5036","0.0018","5.9798","0.0005","20.4223","0.0018","90","","110.868","0.001","90","","2225.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 O8.5 Tb -","- C9 H9 O8.5 Tb -","- C72 H72 O68 Tb8 -","8","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0261","0.0227","","","0.0513","0.053","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211870","19.694","0.003","6.0192","0.0009","20.467","0.003","90","","110.995","0.002","90","","2265.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 O8.5 Sm -","- C9 H9 O8.5 Sm -","- C72 H72 O68 Sm8 -","8","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0207","0.0185","","","0.0442","0.0452","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211871","11.673","0.002","5.9691","0.0012","18.456","0.004","90","","97.65","0.03","90","","1274.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Eu O9 -","- C10 H9 Eu O9 -","- C40 H36 Eu4 O36 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0568","0.0482","","","0.0884","0.0904","","","","","","1.361","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211872","11.703","0.002","5.9725","0.0012","18.446","0.004","90","","97.62","0.03","90","","1277.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 O9 Sm -","- C10 H11 O9 Sm -","- C40 H44 O36 Sm4 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0534","0.0421","","","0.1086","0.1131","","","","","","1.217","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211873","11.542","0.002","13.199","0.003","13.687","0.003","115.5","0.03","91.29","0.03","115.05","0.03","1650.6","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 O21 Pr3 -","- C28 H23 O21 Pr3 -","- C56 H46 O42 Pr6 -","2","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0383","0.0303","","","0.0629","0.0657","","","","","","1.102","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211874","13.362","0.003","5.9634","0.0013","15.641","0.003","90","","93.626","0.003","90","","1243.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Eu O8 -","- C11 H12 Eu O8 -","- C44 H48 Eu4 O32 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0543","0.0355","","","0.0639","0.0698","","","","","","0.972","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211875","13.354","0.009","5.977","0.004","15.64","0.01","90","","93.532","0.009","90","","1246","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O8 Sm -","- C11 H12 O8 Sm -","- C44 H48 O32 Sm4 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0784","0.0586","","","0.1403","0.149","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211876","6.2994","0.0013","8.9181","0.0018","12.448","0.003","77.22","0.03","78.95","0.03","71","0.03","639.4","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","1","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0229","0.0226","","","0.0577","0.058","","","","","","1.061","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211877","9.1071","0.0009","9.3366","0.0008","18.0884","0.0018","81.534","0.006","76.253","0.004","67.954","0.005","1381.9","0.2","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","1","1","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1426","0.1096","","","0.2306","0.2538","","","","","","1.109","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211878","12.6078","0.0006","17.3931","0.0008","26.3525","0.0013","91.431","0.002","94.915","0.002","92.928","0.002","5747.5","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H120 Cr8 Na18 O120 S72 -","- C138 H120 Cr8 Na18 O120 S72 -","- C138 H120 Cr8 Na18 O120 S72 -","1","0.5","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1848","0.0827","","","0.1769","0.2192","","","","","","1.023","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211879","5.1889","0.0016","6.1177","0.0019","16.787","0.005","90","","97.195","0.012","90","","528.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Caesium nonafluorobutylsulfonate","","- C4 Cs F9 O3 S -","- C4 Cs F9 O3 S -","- C8 Cs2 F18 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0276","0.0249","","","0.0589","0.0601","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211880","5.0606","0.0009","5.553","0.001","16.997","0.003","83.233","0.004","86.532","0.004","87.185","0.004","473.02","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Potasium Nonafluorobutylsulfonate","","- C4 F9 K O3 S -","- C4 F9 K O3 S -","- C8 F18 K2 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0406","0.03","","","0.0702","0.0751","","","","","","1.063","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211881","9.493","0.002","8.5886","0.0015","30.962","0.005","90","","95.036","0.019","90","","2514.6","0.8","173","2","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potasium nonafluorobutylsulfonate acetonitril solvate","","- C6 H3 F9 K N O3 S -","- C6 H3 F9 K N O3 S -","- C48 H24 F72 K8 N8 O24 S8 -","8","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0553","0.0437","","","0.1379","0.1489","","","","","","1.032","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211882","12.323","0.005","5.58","0.005","17.527","0.005","90","0.005","97.885","0.005","90","0.005","1193.8","1.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Lithium nonafluorobtylsulfonate","","- C6 H4 F9 Li O4 S -","- C6 H4 F9 Li O4 S -","- C24 H16 F36 Li4 O16 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71069","MoKα","","0.0354","0.0273","","","0.0723","0.078","","","","","","1.038","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211883","17.165","0.005","5.634","0.005","11.085","0.005","90","0.005","100.122","0.005","90","0.005","1055.3","1.1","173","","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Sodium Nonafluorobutylsulfonate hydrate","Sodium Nonafluorobutylsulfonate hydrate","","- C4 H2 F9 Na O4 S -","- C4 H2 F9 Na O4 S -","- C16 H8 F36 Na4 O16 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.1689","0.0846","","","0.2173","0.2639","","","","","","0.976","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211884","5.0346","0.0018","5.8254","0.0019","33.361","0.016","90","","93.21","0.03","90","","976.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rubidium nonafluorobutylsulfonate","","- C4 F9 O3 Rb S -","- C4 F9 O3 Rb S -","- C16 F36 O12 Rb4 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0889","0.0704","","","0.182","0.1893","","","","","","1.18","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211885","13.819","0.003","15.382","0.003","24.383","0.005","100.41","0.03","95.25","0.03","101.09","0.03","4959","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Mn4 N4 O20 -","- C68 H53 Mn4 N4 O20 -","- C136 H106 Mn8 N8 O40 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.1071","0.0808","","","0.2439","0.2782","","","","","","1.04","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211886","13.958","0.003","18.507","0.004","12.351","0.003","90","","113.79","0.03","90","","2919.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Mn3 N4 O16 -","- C58 H60 Mn3 N4 O16 -","- C116 H120 Mn6 N8 O32 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.0937","0.0843","","","0.1956","0.2003","","","","","","1.206","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211887","13.819","0.003","15.382","0.003","24.383","0.005","100.41","0.03","95.25","0.03","101.09","0.03","4959","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H53 Mn4 N3 O19 -","- C65 H53 Mn4 N3 O19 -","- C130 H106 Mn8 N6 O38 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.0817","0.0635","","","0.1788","0.198","","","","","","0.981","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211889","10.488","0.004","10.212","0.004","11.273","0.004","90","","92.89","0.008","90","","1205.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cd2 N9 S2 -","- C5 H5 Cd2 N9 S2 -","- C20 H20 Cd8 N36 S8 -","4","0.5","","Cheng, Jian-Kai; Zhang, Jian; Yin, Pei-Xiu; Lin, Qi-Pu; Li, Zhao-Ji; Yao, Yuan-Gen","Capturing in situ generated NHCH‒NNH molecule via the templating synthesis of a 4-connected open Cd(ii) framework","CrystEngComm","2010","12","4","1024","","10.1039/b916206b","","","0.71073","MoKα","","","0.0268","","","0.0601","0.0617","","","","","","1.081","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211890","7.8282","0.0013","16.447","0.003","16.779","0.003","90","","95.137","0.003","90","","2151.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O7 Zn -","- C23 H20 N4 O7 Zn -","- C92 H80 N16 O28 Zn4 -","4","1","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0858","0.052","","","0.0972","0.1053","","","","","","1.004","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211891","10.666","0.002","16.748","0.003","14.201","0.003","90","","95.299","0.004","90","","2525.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N6 O10 Zn2 -","- C24 H21 N6 O10 Zn2 -","- C96 H84 N24 O40 Zn8 -","4","1","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0754","0.0538","","","0.1541","0.1613","","","","","","1.037","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211892","9.1215","0.0014","20.539","0.003","13.621","0.002","90","","100.457","0.003","90","","2509.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N8 O18 Zn3 -","- C54 H46 N8 O18 Zn3 -","- C108 H92 N16 O36 Zn6 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.1074","0.0591","","","0.0941","0.1031","","","","","","1.008","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211893","9.0505","0.0011","20.457","0.002","13.5723","0.0016","90","","101.21","0.002","90","","2464.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 N8 Ni3 O17 -","- C54 H44 N8 Ni3 O17 -","- C108 H88 N16 Ni6 O34 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0889","0.0598","","","0.1298","0.1418","","","","","","1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211894","8.9636","0.001","20.589","0.002","13.5194","0.0015","90","","99.469","0.002","90","","2461","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Cu3 N8 O15 -","- C54 H38 Cu3 N8 O15 -","- C108 H76 Cu6 N16 O30 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.1193","0.0624","","","0.083","0.0938","","","","","","0.95","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211895","9.8707","0.0004","12.7458","0.0007","21.8848","0.0012","88.967","0.002","85.654","0.0018","80.553","0.0019","2708.1","0.2","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 O12 Rb2 S8 -","- C52 H46 O12 Rb2 S8 -","- C104 H92 O24 Rb4 S16 -","2","1","","Yamada, Manabu; Shimakawa, Yoshifumi; Kondo, Yoshihiko; Hamada, Fumio","Thiacalix[4]arene‒rubidium assembly: supramolecular architecture based on alkali metal coordination and cation‒π interactions","CrystEngComm","2010","12","4","1311","","10.1039/b916317d","","","0.71075","MoKα","","","0.0281","","","","0.0975","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211899","8.46","0.004","9.438","0.004","13.305","0.005","82.811","0.017","78.712","0.013","89.077","0.017","1033.6","0.8","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","1","0.5","","Poplaukhin, Pavel; Tiekink, Edward R. T.","Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand","CrystEngComm","2010","12","4","1302","","10.1039/b916585a","","","0.7107","MoKα","","0.071","0.057","","","0.123","0.131","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211900","9.7471","0.0014","16.151","0.002","13.21","0.002","90","","94.743","0.002","90","","2072.5","0.5","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","- C60 H92 N16 O12 S16 Zn4 -","2","0.5","","Poplaukhin, Pavel; Tiekink, Edward R. T.","Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand","CrystEngComm","2010","12","4","1302","","10.1039/b916585a","","","0.7107","MoKα","","0.048","0.046","","","0.117","0.12","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211901","16.28","0.011","11.924","0.008","18.04","0.012","90","","103.862","0.008","90","","3400","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H64 Mn3 Mo12 N8 O69 P8 -","- C8 H40 Mn3 Mo12 N8 O69 P8 -","- C16 H80 Mn6 Mo24 N16 O138 P16 -","2","0.5","","Hao, Zhaomin; Dong, Qingsong; Zhang, Ling; Zhang, Yi; Luo, Fang","Two organic‒inorganic hybrid frameworks with helical structures and large cavities constructed from poly(oxomolybdophosphates)","CrystEngComm","2010","12","3","977","","10.1039/b916687d","","","0.71073","MoKα","","0.0566","0.0387","","","0.0994","0.1085","","","","","","1.048","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211902","14.9478","0.0009","25.2004","0.0015","26.7202","0.0013","90","","108.671","0.003","90","","9535.5","0.9","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H83 Mn2 Mo12 N14 Na3 O69.5 P8 -","- C35 H56 Mn2 Mo12 N14 Na3 O69.4 P8 -","- C140 H224 Mn8 Mo48 N56 Na12 O277.6 P32 -","4","1","","Hao, Zhaomin; Dong, Qingsong; Zhang, Ling; Zhang, Yi; Luo, Fang","Two organic‒inorganic hybrid frameworks with helical structures and large cavities constructed from poly(oxomolybdophosphates)","CrystEngComm","2010","12","3","977","","10.1039/b916687d","","","0.71073","MoKα","","0.0784","0.0513","","","0.1332","0.1499","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211903","14.957","0.003","16.879","0.003","9.0167","0.0018","90","","115.94","0.03","90","","2047","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H46 N8 O36 V10 -","- C12 H24 N8 O36 V10 -","- C24 H48 N16 O72 V20 -","2","0.25","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0396","0.0351","","","0.1039","0.1068","","","","","","1.084","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211904","12.6031","0.0009","12.6031","0.0009","22.563","0.003","90","","90","","120","","3103.7","0.5","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C18 H66 Cl N12 Ni2 O38 V15 -","- C18 H60 Cl N12 Ni2 O38 V15 -","- C36 H120 Cl2 N24 Ni4 O76 V30 -","2","0.166667","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0706","0.0678","","","0.2038","0.207","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211905","12.12","0.0017","12.12","0.0017","22.053","0.004","90","","90","","120","","2805.5","0.8","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C12 H54 Cl Co2 N12 O38 V15 -","- C12 Cl Co2 N12 O38 V15 -","- C24 Cl2 Co4 N24 O76 V30 -","2","0.0833333","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0877","0.0788","","","0.23","0.2403","","","","","","1.055","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211906","13.0632","0.0002","17.6269","0.0003","16.0409","0.0002","90","","96.061","0.002","90","","3672.99","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ag F3 N2 O4 P2 S -","- C39 H34 Ag F3 N2 O4 P2 S -","- C156 H136 Ag4 F12 N8 O16 P8 S4 -","4","1","","Wang, Xiaobing; Feng, Jingzhi; Huang, Jing; Zhang, Jianyong; Pan, Mei; Su, Cheng-Yong","A 2D Ag(I) layered coordination polymer based on pyridyl diphosphine: structure and selective sorption properties via weak C‒H⋯F/O interactions","CrystEngComm","2010","12","3","725","","10.1039/b916921k","","","1.54178","CuKα","","0.0982","0.067","","","0.1679","0.18","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211907","14.7024","0.001","17.0783","0.0012","13.9048","0.0015","90","","117.472","0.001","90","","3097.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cadmium imidazolate","","","- C12 H15 Cd1.5 N6 -","- C12 H11 Cd1.5 N6 -","- C96 H88 Cd12 N48 -","8","1","","Yao, Shi-Yan; Tian, Yun-Qi","An exceptional self-penetrating 4-connected network derived from a (3,4)-connected net of tfa-c topology","CrystEngComm","2010","12","3","697","","10.1039/b916978d","","","0.71073","MoKα","","0.0326","0.0289","","","0.0744","0.0766","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211908","8.2087","0.0007","14.9912","0.0013","21.9789","0.0019","90","","94.702","0.001","90","","2695.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N3 O9 Zn2 -","- C31 H18 N3 O8.5 Zn2 -","- C124 H72 N12 O34 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0461","0.0355","","","0.0959","0.102","","","","","","1.068","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211909","9.0122","0.0009","17.3729","0.0018","15.2421","0.0015","90","","98.684","0.001","90","","2359.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O9 Zn -","- C26 H18 N2 O9 Zn -","- C104 H72 N8 O36 Zn4 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0789","0.046","","","0.0955","0.1103","","","","","","1.015","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211910","8.7902","0.0015","11.461","0.0019","12.866","0.002","85.175","0.002","72.094","0.002","69.382","0.002","1154","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 N4 O18 Zn3 -","- C52 H30 N4 O17 Zn3 -","- C52 H30 N4 O17 Zn3 -","1","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0797","0.0507","","","0.109","0.1262","","","","","","1.044","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211911","14.4039","0.0014","14.2659","0.0013","16.5825","0.0016","90","","111.712","0.001","90","","3165.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N4 O9 Zn2 -","- C36 H24 N4 O9 Zn2 -","- C144 H96 N16 O36 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0511","0.0338","","","0.0782","0.0869","","","","","","1.031","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211912","9.2298","0.0007","15.2279","0.0011","23.9952","0.0017","90","","94.94","0.001","90","","3360","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O9.5 -","- C144 H96 Cd8 N16 O38 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0527","0.0378","","","0.0852","0.0929","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211913","8.8527","0.0009","13.6187","0.0014","19.956","0.002","90","","101.433","0.001","90","","2358.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 N2 O9 Zn2 -","- C28 H16 N2 O9 Zn2 -","- C112 H64 N8 O36 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.04","0.0294","","","0.0715","0.0777","","","","","","1.012","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211914","9.0444","0.0017","16.46","0.003","12.074","0.002","90","","93.437","0.003","90","","1794.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co5 O24 -","- C32 H26 Co5 O24 -","- C64 H52 Co10 O48 -","2","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0901","0.0524","","","0.099","0.117","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211915","8.6129","0.001","19.542","0.002","11.4698","0.0013","90","","90.564","0.001","90","","1930.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Co5 O28 -","- C32 H34 Co5 O28 -","- C64 H68 Co10 O56 -","2","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0512","0.0366","","","0.062","0.0659","","","","","","0.905","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211920","16.0828","0.0009","6.8716","0.0003","24.8286","0.0014","90","","121.643","0.004","90","","2336","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N10 O13 -","- C45 H48 N10 O13 -","- C90 H96 N20 O26 -","2","0.5","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.1181","0.0875","","","0.2372","0.2599","","","","","","1.051","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211921","6.9162","0.0003","22.0035","0.0009","14.3569","0.0005","90","","90.319","0.002","90","","2184.81","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N5 O7 -","- C21 H25 N5 O7 -","- C84 H100 N20 O28 -","4","1","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.1143","0.0823","","","0.2113","0.2302","","","","","","1.063","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211922","8.4059","0.0003","11.7146","0.0004","11.8703","0.0004","92.873","0.002","92.647","0.002","104.299","0.002","1129.18","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N6 O8 -","- C21 H24 N6 O8 -","- C42 H48 N12 O16 -","2","1","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.0509","0.0397","","","0.1068","0.1195","","","","","","1.058","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211923","5.1868","0.0003","11.4095","0.0006","12.8769","0.0007","86.36","0.001","89.309","0.001","77.171","0.001","741.52","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H21 Cl2 N O Pd S2 -","- C8 H21 Cl2 N O Pd S2 -","- C16 H42 Cl4 N2 O2 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0229","0.0211","","","0.0497","0.0505","","","","","","1.046","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211924","31.9875","0.0016","8.9087","0.0004","14.1037","0.0007","90","","97.911","0.001","90","","3980.8","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl2 N O1.5 Pd S2 -","- C12 H30 Cl2 N O1.5 Pd S2 -","- C96 H240 Cl16 N8 O12 Pd8 S16 -","8","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0354","0.0305","","","0.0752","0.0776","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211925","34.835","0.003","5.1827","0.0005","25.391","0.002","90","","107.19","0.002","90","","4379.3","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H35 Cl2 N O2 Pd S2 -","- C16 H31 Cl2 N O2 Pd S2 -","- C128 H248 Cl16 N8 O16 Pd8 S16 -","8","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0692","0.0556","","","0.1195","0.1252","","","","","","1.144","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211926","5.4127","0.0004","13.6387","0.001","15.2316","0.0012","67.588","0.001","85.211","0.002","80.964","0.002","1026.25","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H31 Br2 N O2 Pd S2 -","- C12 H31 Br2 N O2 Pd S2 -","- C24 H62 Br4 N2 O4 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1129","0.1163","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211927","5.7601","0.0004","11.4786","0.0007","15.2346","0.001","70.574","0.001","85.423","0.001","77.631","0.001","927.85","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H27 Cl N2 O3 Pd S2 -","- C12 H27 Cl N2 O3 Pd S2 -","- C24 H54 Cl2 N4 O6 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.062","0.0513","","","0.1097","0.1141","","","","","","1.143","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211928","8.7148","0.0003","11.4826","0.0003","16.9691","0.0005","81.721","0.002","81.814","0.002","77.987","0.002","1632.45","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Suberic acid & imidazole","Suberic acid & imidazole","","- C30 H50 N4 O12 -","- C30 H50 N4 O12 -","- C60 H100 N8 O24 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0908","0.0523","","","0.1232","0.1421","","","","","","1.032","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211929","8.1285","0.0006","9.1297","0.0007","13.7387","0.0011","89.781","0.004","89.17","0.004","79.782","0.005","1003.28","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Glutaric Acid and 1-Methylimidazole","Glutaric Acid and 1-Methylimidazole","","- C18 H28 N4 O8 -","- C18 H28 N4 O8 -","- C36 H56 N8 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1001","0.07","","","0.1521","0.1682","","","","","","0.985","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211930","3.9015","0.0002","17.3293","0.001","13.8628","0.0007","90","","96.299","0.003","90","","931.61","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Succinic acid & 4-methylimidazole","Succinic acid & 4-methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0744","0.049","","","0.1057","0.1169","","","","","","1.022","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211931","5.38","0.0003","8.1542","0.0006","12.6592","0.001","78.35","0.004","82.962","0.004","84.496","0.004","538.37","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Glutaric acid & 2-methylimidazole","Glutaric acid & 2-methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1262","0.0851","","","0.138","0.1543","","","","","","1.06","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211932","4.8629","0.0003","7.9978","0.0005","16.5263","0.0011","96.951","0.001","94.475","0.001","107.384","0.001","604.44","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Adipic Acid and 2-Methylimidazole","Adipic Acid and 2-Methylimidazole","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.671","synchrotron","","0.0578","0.052","","","0.145","0.1518","","","","","","1.047","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211933","8.1472","0.0007","6.4965","0.0005","9.0107","0.0005","90","","97.401","0.004","90","","472.95","0.06","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Succinic Acid and 2-Methylimidazole","Succinic Acid and 2-Methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C16 H24 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0687","0.048","","","0.099","0.1076","","","","","","1.092","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211934","8.0829","0.0005","6.2852","0.0004","9.0979","0.0006","90","","97.551","0.004","90","","458.19","0.05","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","fumaric acid & 2-methylimidazole","fumaric acid & 2-methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1049","0.0689","","","0.1392","0.1575","","","","","","1.069","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211935","7.3683","0.0004","9.0497","0.0003","10.7486","0.0005","76.546","0.003","80.396","0.002","76.933","0.003","674.05","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Suberic acid & 2-methylimidazole","Suberic acid & 2-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1074","0.0574","","","0.1098","0.1281","","","","","","1.035","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211936","7.648","0.0007","11.673","0.0009","11.204","0.0011","90","","93.547","0.004","90","","998.32","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Fumaric acid and 1,2-dimethylimidazole","Fumaric acid and 1,2-dimethylimidazole","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1343","0.0845","","","0.1424","0.1631","","","","","","1.142","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211937","8.8691","0.0007","13.2988","0.0017","12.125","0.0014","90","","109.5","0.007","90","","1348.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Suberic acid & 4-methylimidazole","Suberic acid & 4-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.154","0.0933","","","0.1154","0.1316","","","","","","1.111","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211938","7.536","0.0004","14.218","0.0008","9.716","0.0006","90","","96.571","0.003","90","","1034.2","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutaric Acid & 4-Methylimidazole","Glutaric Acid & 4-Methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.098","0.0559","","","0.0977","0.1108","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211939","20.5769","0.0012","7.3521","0.0004","14.0383","0.0008","90","","90","","90","","2123.8","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Succinic acid & 1,2-dimethylimidazole","Succinic acid & 1,2-dimethylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1161","0.0685","","","0.1383","0.1561","","","","","","1.107","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211940","10.4056","0.0016","22.888","0.004","4.6392","0.0009","90","","90","","90","","1104.9","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Glutaric acid & 1,2-dimethylimidazole","Glutaric acid & 1,2-dimethylimidazole","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1159","0.0748","","","0.1862","0.2082","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211941","6.4624","0.0004","18.8186","0.001","7.1493","0.0005","90","","98.878","0.004","90","","859.03","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyloxalate & 1-methylimidazolium","Methyloxalate & 1-methylimidazolium","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1145","0.0609","","","0.1067","0.123","","","","","","1.044","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211942","13.3293","0.0019","13.1137","0.0016","14.023","0.002","90","","90","","90","","2451.2","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Oxalic acid & 2-methylimidazole","Oxalic acid & 2-methylimidazole","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C80 H112 N32 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1189","0.0906","","","0.1593","0.1693","","","","","","1.244","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211943","9.1937","0.0006","13.5734","0.0006","10.5047","0.0005","90","","99.252","0.004","90","","1293.83","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Oxalic acid & 4-methylimidazole hydrate","Oxalic acid & 4-methylimidazole hydrate","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C40 H64 N16 O20 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0664","0.0485","","","0.1051","0.1131","","","","","","1.072","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211944","6.998","0.0003","8.379","0.0003","9.25","0.0003","116.302","0.002","101.825","0.002","91.149","0.002","472.1","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Malonic acid & imidazole","Malonic acid & imidazole","","- C15 H20 N6 O8 -","- C15 H20 N6 O8 -","- C15 H20 N6 O8 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0615","0.0433","","","0.0972","0.1081","","","","","","1.022","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211945","11.4966","0.0019","18.702","0.003","3.9535","0.0005","90","","90","","90","","850","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Malonic Acid and 2-Methylimidazole","Malonic Acid and 2-Methylimidazole","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1277","0.0802","","","0.1212","0.1429","","","","","","1.163","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211946","5.5883","0.0002","22.5838","0.0012","7.3581","0.0004","90","","98.578","0.003","90","","918.24","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Maleic Acid & 4-Methylimidazole","Maleic Acid & 4-Methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0854","0.0519","","","0.1248","0.1421","","","","","","1.045","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211947","9.6409","0.0003","9.8099","0.0003","12.6275","0.0004","73.631","0.001","70.339","0.001","85.599","0.002","1078.83","0.06","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H19 I2 P -","- C24 H19 I2 P -","- C48 H38 I4 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.111","0.0741","","","0.149","0.1723","","","","","","1.088","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211948","9.9636","0.0009","21.5367","0.0019","9.9994","0.0009","90","","111.504","0.001","90","","1996.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Au Cl P -","- C24 H19 Au Cl P -","- C96 H76 Au4 Cl4 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.6939","synchrotron","","0.0343","0.0315","","","0.0754","0.0771","","","","","","1.027","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211949","9.5352","0.0006","9.8668","0.0006","12.0877","0.0008","73.228","0.004","73.548","0.003","87.343","0.003","1043.5","0.12","233","2","233","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H19 Au Br P -","- C24 H19 Au Br P -","- C48 H38 Au2 Br2 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.0828","0.0626","","","0.146","0.1663","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211950","9.5207","0.0003","9.85","0.0004","12.1301","0.0004","74.346","0.002","74.294","0.002","87.987","0.002","1053.57","0.07","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H19 Au I P -","- C24 H19 Au I P -","- C48 H38 Au2 I2 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.0978","0.0656","","","0.1423","0.1643","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211951","9.1631","0.0003","23.755","0.0009","10.2226","0.0004","90","","108.494","0.002","90","","2110.23","0.14","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Au O P -","- C25 H22 Au O P -","- C100 H88 Au4 O4 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1815","0.0773","","","0.1485","0.186","","","","","","1.083","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211952","9.0116","0.0001","18.168","0.0003","28.8665","0.0005","90","","90","","90","","4726.1","0.12","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Au O P -","- C29 H24 Au O P -","- C232 H192 Au8 O8 P8 -","8","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1257","0.0737","","","0.1497","0.1794","","","","","","1.26","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211953","13.2366","0.0013","7.1753","0.0006","12.769","0.0012","90","","117.344","0.002","90","","1077.25","0.17","291","2","291","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Cd3 O10 -","- C8 H2 Cd3 O10 -","- C32 H8 Cd12 O40 -","4","0.5","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0233","0.0221","","","0.0586","0.0593","","","","","","1.063","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211954","6.8958","0.0003","5.8147","0.0003","15.8331","0.0008","90","","90","","90","","634.86","0.05","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H Cd O3 -","- C2 H Cd O3 -","- C16 H8 Cd8 O24 -","8","1","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0251","0.02","","","0.0441","0.0447","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211955","3.5793","0.0003","10.4878","0.0009","8.5834","0.0007","90","","99.551","0.001","90","","317.75","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cd2 O6 -","- C4 H2 Cd2 O6 -","- C8 H4 Cd4 O12 -","2","0.5","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0299","0.0275","","","0.0546","0.0561","","","","","","0.975","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211956","5.2629","0.0015","5.2629","0.0015","12.987","0.008","90","","90","","90","","359.7","0.3","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0904","0.0512","","","0.1238","0.1352","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211957","5.3718","0.0003","5.3718","0.0003","13.4271","0.0017","90","","90","","90","","387.46","0.06","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pd Zn -","- C4 N4 Pd Zn -","- C8 N8 Pd2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0585","0.0469","","","0.1279","0.134","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211958","5.3592","0.0004","5.3592","0.0004","13.455","0.002","90","","90","","90","","386.44","0.07","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pt Zn -","- C4 N4 Pt Zn -","- C8 N8 Pt2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0326","0.0264","","","0.0856","0.0916","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211959","17.998","0.016","9.697","0.008","18.903","0.017","90","","97.339","0.018","90","","3272","5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0973","0.0688","","","0.1704","0.1869","","","","","","1.064","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211960","17.757","0.003","9.626","0.0016","10.805","0.0018","90","","95.603","0.004","90","","1838.1","0.5","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H36 Cu2 N2 O10 -","- C38 H36 Cu2 N2 O10 -","- C76 H72 Cu4 N4 O20 -","2","0.25","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0834","0.0564","","","0.1282","0.1401","","","","","","1.089","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211961","17.485","0.003","9.6876","0.0019","19.213","0.004","90","","98.432","0.004","90","","3219.3","1.1","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0827","0.0589","","","0.1342","0.1462","","","","","","1.034","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211962","9.701","0.002","24.227","0.005","9.861","0.002","90","","111.821","0.004","90","","2151.5","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd I3 N5 O4 -","- C14 H6 Cd I3 N5 O4 -","- C56 H24 Cd4 I12 N20 O16 -","4","1","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.1435","0.1076","","","0.2895","0.315","","","","","","1.05","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211963","11.3689","0.0003","11.3689","0.0003","16.5658","0.0011","90","","90","","90","","2141.16","0.16","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H12 Cd I3 N3 O5 -","- C14 H12 Cd I3 N3 O5 -","- C56 H48 Cd4 I12 N12 O20 -","4","0.5","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.0518","0.0383","","","0.0986","0.1068","","","","","","1.053","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211964","7.6168","0.0002","15.2552","0.0005","52.3376","0.0016","90","","89.976","0.002","90","","6081.4","0.3","293","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0369","0.0365","","0.0242","0.0241","0.0241","","","","","","1.0526","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211965","7.6837","0.0002","15.5843","0.0006","52.1546","0.0016","90","","89.933","0.002","90","","6245.3","0.3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0501","0.0455","","0.0417","0.0399","0.0399","","","","","","1.1069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211966","7.3592","0.0007","14.601","0.002","51.188","0.009","90","","89.989","0.01","90","","5500.2","1.3","293","","293","","","","1500000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1132","0.0858","","0.1309","0.0899","0.0899","","","","","","1.0111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211967","7.2634","0.0003","14.412","0.0011","50.836","0.004","90","","89.966","0.005","90","","5321.5","0.6","293","","293","","","","2200000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1072","0.0839","","0.1341","0.0918","0.0918","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211968","7.1346","0.0006","14.165","0.002","50.433","0.008","90","","89.88","0.009","90","","5096.8","1.2","293","","293","","","","3700000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1203","0.0839","","0.1336","0.089","0.089","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211969","7.0316","0.0006","14.0254","0.0019","50.157","0.008","90","","89.796","0.009","90","","4946.5","1.1","293","","293","","","","4900000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0906","0.0767","","0.0901","0.0762","0.0762","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211970","7.701","0.002","12.569","0.006","24.786","0.013","90","","90","","90","","2399.1","1.8","293","","293","","","","5300000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0735","0.051","","0.1079","0.057","0.057","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211971","7.6475","0.0007","12.451","0.003","24.651","0.002","90","","90","","90","","2347.2","0.6","293","","293","","","","6000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0359","0.0277","","0.0277","0.0233","0.0233","","","","","","1.0753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211972","7.6285","0.0008","12.299","0.003","24.555","0.003","90","","90","","90","","2303.8","0.7","293","","293","","","","6800000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0408","0.0316","","0.0355","0.0276","0.0276","","","","","","1.0841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211973","19.358","0.005","13.756","0.004","26.012","0.007","90","","99.951","0.004","90","","6822","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","F-MOF 1","","","- C76 H47 Cu F18 N4 O15 -","- C76 H47 Cu F18 N4 O15 -","- C304 H188 Cu4 F72 N16 O60 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0533","0.0424","","","0.1186","0.1283","","","","","","1.037","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211974","7.7882","0.0011","28.449","0.004","10.7928","0.0015","90","","90.52","0.002","90","","2391.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","F-MOF 2","","","- C27 H18 Cu F6 N2 O5 -","- C27 H18 Cu F6 N2 O5 -","- C108 H72 Cu4 F24 N8 O20 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0439","0.0348","","","0.0889","0.1007","","","","","","1.045","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211975","51.5","0.014","11.992","0.003","14.114","0.004","90","","90","","90","","8717","4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","F-MOF 3","","","- C92 H58 Cu2 F24 N4 O18 -","- C92 H58 Cu2 F24 N4 O18 -","- C368 H232 Cu8 F96 N16 O72 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0681","0.0552","","","0.1254","0.1308","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211976","25.643","0.008","11.004","0.003","24.351","0.007","90","","115.518","0.005","90","","6201","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","F-MOF 4","","","- C59.94 H55.94 Cu2 F12 N5.82 O11 -","- C59.944 H55.944 Cu2 F12 N5.824 O11 -","- C239.776 H223.776 Cu8 F48 N23.296 O44 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.099","0.0557","","","0.1278","0.1439","","","","","","0.986","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211977","16.389","0.007","13.157","0.006","26.553","0.012","90","","90","","90","","5726","4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","F-MOF 5","","","- C62 H32 Cu2 F12 N5 O10 -","- C62 H32 Cu2 F12 N5 O10 -","- C248 H128 Cu8 F48 N20 O40 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.1255","0.0562","","","0.1512","0.1862","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211978","6.1601","0.0005","5.9993","0.0005","11.3396","0.0008","90","","93.849","0.006","90","","418.12","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C8 H20 N20 -","4","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.0359","0.0353","","","0.0895","0.0905","","","","","","1.047","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211979","5.3783","0.0012","11.086","0.003","13.58","0.004","90","","90","","90","","809.7","0.4","164","2","164","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C16 H40 N40 -","8","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.1038","0.0416","","","0.101","0.1096","","","","","","0.91","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211981","9.8585","0.0006","14.0448","0.0008","28.6911","0.0017","90","","99.005","0.001","90","","3923.6","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cl6 O9 -","- C36 H42 Cl6 O9 -","- C144 H168 Cl24 O36 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0927","0.0826","","","0.2495","0.2585","","","","","","1.07","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211982","10.0663","0.0011","19.591","0.002","19.371","0.002","90","","98.623","0.001","90","","3777","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 N3 O15 -","- C40 H43 N3 O15 -","- C160 H172 N12 O60 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0733","0.0403","","","0.0874","0.101","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211983","31.279","0.003","10.6127","0.001","22.276","0.004","90","","132.356","0.001","90","","5464.4","1.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Cl12 O12 -","- C46 H52 Cl12 O12 -","- C184 H208 Cl48 O48 -","4","0.5","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0607","0.0543","","","0.137","0.1421","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211984","13.052","0.014","14.34","0.015","16.268","0.017","102.717","0.015","91.783","0.013","107.3","0.013","2820","5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H55 Cl3 N6 O24 -","- C55 H55 Cl3 N6 O24 -","- C110 H110 Cl6 N12 O48 -","2","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.1627","0.0785","","","0.2009","0.25","","","","","","1.006","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211985","17.0025","0.0014","36.907","0.003","11.2149","0.001","90","","94.907","0.002","90","","7011.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 N8 Ni3 O21 -","- C70 H52 N8 Ni3 O21 -","- C280 H208 N32 Ni12 O84 -","4","0.5","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0663","0.0464","","","0.1252","0.1356","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211986","11.336","0.003","19.518","0.006","27.059","0.008","90","","98.092","0.005","90","","5927","3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H50 N6 Ni3 O20 -","- C60 H48 N6 Ni3 O20 -","- C240 H192 N24 Ni12 O80 -","4","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0904","0.0768","","","0.1986","0.2094","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211987","9.99","0.003","22.497","0.007","14.764","0.005","90","","100.521","0.005","90","","3262.4","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H58 N8 Ni3 O20 -","- C70 H58 N8 Ni3 O20 -","- C140 H116 N16 Ni6 O40 -","2","0.5","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0919","0.0621","","","0.1234","0.1414","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211988","25.342","0.016","8.645","0.005","14.204","0.011","90","","120.412","0.019","90","","2684","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O7 -","- C15 H10 O7 -","- C120 H80 O56 -","8","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.1347","0.0987","","","0.2792","0.3021","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211989","34.511","0.007","15.736","0.002","24.91","0.005","90","","129.759","0.012","90","","10399","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H103 Cd3 Mo12 N15 O72 P8 -","- C20 H77 Cd3 Mo12 N15 O72 P8 -","- C80 H308 Cd12 Mo48 N60 O288 P32 -","4","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.111","0.0679","","","0.1728","0.1904","","","","","","0.944","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211990","13.2845","0.0007","22.1336","0.0011","16.6627","0.0006","90","","127.371","0.003","90","","3893.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H90 Cd Mo12 N12 O70 P8 -","- C16 H68 Cd Mo12 N12 O70 P8 -","- C32 H136 Cd2 Mo24 N24 O140 P16 -","2","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0247","0.0218","","","0.0545","0.0556","","","","","","1.099","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211991","12.428","0.003","12.595","0.003","13.069","0.003","85.49","0.03","73.43","0.03","82.21","0.03","1940.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H45 Mo6 N6 Na O35 P4 -","- C8 H34 Mo6 N6 Na O35 P4 -","- C16 H68 Mo12 N12 Na2 O70 P8 -","2","1","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0379","0.0299","","","0.0789","0.0903","","","","","","1.108","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211992","11.908","0.002","13.465","0.003","14.403","0.003","71.82","0.03","89.23","0.03","69.29","0.03","2040.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H90 Cd3 Mo12 N12 O72 P8 -","- C16 H34 Cd3 Mo12 N12 O72 P8 -","- C16 H34 Cd3 Mo12 N12 O72 P8 -","1","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0354","0.0331","","","0.084","0.0858","","","","","","1.069","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211993","8.941","0.0005","8.941","0.0004","10.026","0.0004","90","0.001","90","0.001","120","0.005","694.11","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 La N3 O7 -","- C4 H2 La N3 O7 -","- C12 H6 La3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0802","0.0806","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211994","8.888","0.005","8.888","0.008","9.973","0.006","90","0.005","90","0.005","120","0.005","682.3","0.8","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Ce N3 O7 -","- C4 H2 Ce N3 O7 -","- C12 H6 Ce3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0226","0.0224","","","0.0657","0.0658","","","","","","1.071","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211995","8.841","0.004","8.841","0.004","9.922","0.005","90","0.005","90","0.005","120","0.005","671.6","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Pr -","- C4 H2 N3 O7 Pr -","- C12 H6 N9 O21 Pr3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0258","0.0255","","","0.0775","0.0776","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211996","8.805","0.0009","8.805","0.0009","9.883","0.001","90","0.0012","90","0.001","120","0.01","663.56","0.13","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 Nd O7 -","- C4 H6 N3 Nd O7 -","- C12 H18 N9 Nd3 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0224","0.022","","","0.0596","0.0598","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211997","8.712","0.004","8.712","0.004","9.818","0.005","90","0.005","90","0.005","120","0.005","645.3","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Sm -","- C4 H2 N3 O7 Sm -","- C12 H6 N9 O21 Sm3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0229","0.0224","","","0.0607","0.0609","","","","","","1.011","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211998","8.674","0.005","8.674","0.005","9.796","0.006","90","0.007","90","0.007","120","0.006","638.3","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Eu N3 O7 -","- C4 H6 Eu N3 O7 -","- C12 H18 Eu3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0717","0.0719","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211999","8.639","0.007","8.639","0.005","9.772","0.006","90","0.005","90","0.005","120","0.005","631.6","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Gd N3 O7 -","- C4 H6 Gd N3 O7 -","- C12 H18 Gd3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0289","0.0284","","","0.0852","0.0856","","","","","","1.061","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212000","6.998","0.004","7.923","0.005","8.61","0.005","87.064","0.008","70.43","0.008","70.354","0.007","422.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N4 O3 Pb -","- C6 H6 N4 O3 Pb -","- C12 H12 N8 O6 Pb2 -","2","1","","Sadeghzadeh, Homa; Morsali, Ali","Hedge balls nano-structure of a mixed-ligand lead(II) coordination polymer; thermal, structural and X-ray powder diffraction studies","CrystEngComm","2010","12","2","370","","10.1039/b917819h","","","0.71073","MoKα","","0.0939","0.0808","","","0.2037","0.2133","","","","","","1.072","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212001","10.167","0.003","9.038","0.003","8.93","0.003","90","","100.572","0.005","90","","806.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(2-ethanolammonium)tetraiodoplumbate(ii)","bis(2-ethanolammonium)tetraiodoplumbate(II)","","- C4 H16 I4 N2 O2 Pb -","- C4 H16 I4 N2 O2 Pb -","- C8 H32 I8 N4 O4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.025","0.0234","","","0.0577","0.0583","","","","","","1.151","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212002","10.631","0.003","9.199","0.003","9.207","0.003","90","","93.057","0.006","90","","899.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(3-propanolammonium)tetraiodoplumbate(ii)","bis(3-propanolammonium)tetraiodoplumbate(II)","","- C6 H20 I4 N2 O2 Pb -","- C6 H20 I4 N2 O2 Pb -","- C12 H40 I8 N4 O4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0311","0.0296","","","0.0798","0.0807","","","","","","1.108","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212003","12.552","0.0009","8.7614","0.0006","8.6441","0.0006","90","","97.994","0.002","90","","941.38","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-iodoethylammonium)tetraiodoplumbate(ii)","bis(2-iodoethylammonium)tetraiodoplumbate(II)","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.034","0.0319","","","0.0782","0.0791","","","","","","1.158","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212004","14.0739","0.0015","9.0379","0.001","8.4723","0.001","90","","99.246","0.005","90","","1063.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-iodopropylammonium)tetraiodoplumbate(ii)","bis(3-iodopropylammonium)tetraiodoplumbate(II)","","- C6 H18 I6 N2 Pb -","- C6 H18 I6 N2 Pb -","- C12 H36 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.028","0.0251","","","0.0574","0.0582","","","","","","1.122","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212005","15.3677","0.0008","8.2431","0.0004","9.0441","0.0004","90","","91.905","0.001","90","","1145.05","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(4-iodobutylammonium)tetraiodoplumbate(ii)","bis(4-iodobutylammonium)tetraiodoplumbate(II)","","- C8 H22 I6 N2 Pb -","- C8 H22 I6 N2 Pb -","- C16 H44 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0247","0.0213","","","0.0553","0.0731","","","","","","1.215","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212006","16.2583","0.0011","8.9028","0.0005","8.6261","0.0006","90","","90.071","0.004","90","","1248.58","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(5-iodopentylammonium)tetraiodoplumbate(ii)","bis(5-iodopentylammonium)tetraiodoplumbate(II)","","- C10 H26 I6 N2 Pb -","- C10 H26 I6 N2 Pb -","- C20 H52 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0413","0.0359","","","0.087","0.1002","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212007","9.2206","0.0004","8.8513","0.0004","31.9795","0.0015","90","","90","","90","","2610","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium)tetraiodoplumbste(ii)","bis(6-iodohexylammonium)tetraiodoplumbste(II)","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0425","0.0334","","","0.089","0.1032","","","","","","1.175","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212008","12.8543","0.0007","20.7714","0.0013","6.4866","0.0004","90","","90","","90","","1731.93","0.18","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","bis(2-bromoethylammonium)tetraiodoplumbate(ii)","bis(2-bromoethylammonium)tetraiodoplumbate(II)","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0637","0.0538","","","0.143","0.1485","","","","","","1.139","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212009","17.795","0.001","8.5195","0.0007","23.1666","0.0015","90","","98.719","0.005","90","","3471.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2,2'-dithiodiethanammonium)tetraiodoplumbate(ii)","(2,2'-dithiodiethanammonium)tetraiodoplumbate(II)","","- C8 H28 I8 N4 Pb2 S4 -","- C8 H28 I8 N4 Pb2 S4 -","- C32 H112 I32 N16 Pb8 S16 -","4","1","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0561","0.0354","","","0.0663","0.0705","","","","","","1.02","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212010","11.3748","0.0002","8.729","0.0001","29.2867","0.0004","90","","95.004","0.001","90","","2896.81","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(ii) iodide","bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(II) iodide","","- C8 H28 I6 N4 Pb S4 -","- C8 H28 I6 N4 Pb S4 -","- C32 H112 I24 N16 Pb4 S16 -","4","1","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0446","0.0381","","","0.0892","0.0921","","","","","","1.046","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212011","15.93","0.002","15.93","0.002","15.941","0.004","90","","90","","90","","4045.3","1.2","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C34 H48 F6 N4 O2 S4 Si Zn -","- C30 H36 F6 N4 S4 Si Zn -","- C120 H144 F24 N16 S16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: chaining cages into a 1-D coordination network","CrystEngComm","2010","12","1","67","","10.1039/b917864c","","","0.71073","MoKα","","0.1147","0.0491","","","0.1194","0.1495","","","","","","1.002","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212012","31.7084","0.0016","5.6724","0.0002","22.6344","0.0011","90","","134.288","0.005","90","","2914.2","0.3","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H64 N8 -","- C48 H64 N8 -","- C96 H128 N16 -","2","0.5","","Dawson, Conor; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Channelled crystals formed by tubular stacking of a 4 + 4 phenylene-piperazine macrocycle","CrystEngComm","2010","12","4","1048","","10.1039/b917953d","","","0.71073","MoKα","","0.0934","0.0726","","","0.1895","0.1998","","","","","","1.063","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212013","8.306","0.0006","10.5205","0.0009","12.4149","0.001","103.619","0.005","90.201","0.005","94.123","0.005","1051.39","0.15","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cl6 N6 O28 S2 -","- C20 H48 Cl6 N6 O28 S2 -","- C20 H48 Cl6 N6 O28 S2 -","1","0.5","","Saeed, Musabbir A.; Thompson, Jameskia J.; Fronczek, Frank R.; Hossain, Md Alamgir","Ditopic binding of perchlorate anion to hexaazamacrocyclic hosts.","CrystEngComm / RSC","2010","12","3","674","676","10.1039/b918152k","","","1.54178","CuKα","","0.033","0.032","","","0.086","0.087","","","","","","1.051","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212014","36.577","0.007","36.577","0.007","36.577","0.007","90","","90","","90","","48936","16","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C384 H576 Cl32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0561","0.0501","","","0.1007","0.1035","","","","","","1.106","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212015","36.3997","0.0005","36.3997","0.0005","36.3997","0.0005","90","","90","","90","","48227.4","1.1","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C384 H576 Br32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0363","0.0333","","","0.0839","0.0854","","","","","","1.066","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212016","36.6289","0.0011","36.6289","0.0011","36.6289","0.0011","90","","90","","90","","49144","3","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cu31 I4 N96 O32 S32 -","- C48 H72 Cu31 I4 N96 O31.996 S31.996 -","- C384 H576 Cu248 I32 N768 O255.968 S255.968 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0327","0.0316","","","0.084","0.0847","","","","","","1.065","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212017","19.711","0.004","18.928","0.004","23.826","0.005","90","","116.74","0.03","90","","7939","4","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Ce2 N6 O24 S3 -","- C60 H60 Ce2 N6 O24 S3 -","- C240 H240 Ce8 N24 O96 S12 -","4","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.71073","MoKα","","0.0693","0.042","","","0.0915","0.0969","","","","","","0.852","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212018","25.0566","0.0012","25.0566","0.0012","29.944","0.003","90","","90","","120","","16281","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H12 Ce O12 S2 -","- C28 H12 Ce O12 S2 -","- C252 H108 Ce9 O108 S18 -","9","0.5","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41382","","","0.0924","0.079","","","0.2104","0.2168","","","","","","1.339","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212019","12.4996","0.0012","17.7008","0.0016","22.3869","0.0018","79.657","0.007","80.452","0.007","81.326","0.008","4767.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H59 Dy2 N6 O25 S3 -","- C60 H59 Dy2 N6 O25 S3 -","- C120 H118 Dy4 N12 O50 S6 -","2","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.71073","MoKα","","0.1711","0.0714","","","0.1719","0.2047","","","","","","0.866","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212020","19.5011","0.0013","16.7853","0.0012","24.295","0.0017","90","","112.891","0.002","90","","7326.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 La2 N7 O25 S3 -","- C63 H67 La2 N7 O25 S3 -","- C252 H268 La8 N28 O100 S12 -","4","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.40759","","","0.1485","0.0717","","","0.1693","0.2192","","","","","","1.388","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212021","35.0141","0.0019","14.9351","0.0008","30.3411","0.0017","90","","97.422","0.001","90","","15733.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 N6 O24 Pr2 S3 -","- C60 H60 N6 O24 Pr2 S3 -","- C480 H480 N48 O192 Pr16 S24 -","8","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41328","","","0.0768","0.0591","","","0.1516","0.1601","","","","","","1.069","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212022","22.276","0.0008","5.59764","0.00017","10.3599","0.0004","90","","109.912","0.004","90","","1214.58","0.08","195","0.1","195","0.1","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0441","0.0383","","","0.0898","0.094","","","","","","1.104","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212023","22.1891","0.0015","5.4975","0.0002","10.2493","0.0006","90","","110.055","0.007","90","","1174.45","0.12","100","0.1","100","0.1","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0294","0.0261","","","0.0523","0.0543","","","","","","1.084","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212024","5.7549","0.0014","11.979","0.007","8.734","0.005","90","","110.32","0.04","90","","564.6","0.5","295","2","295","2","","","1050000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.1269","0.0861","","","0.1978","0.2024","","","","","","1.155","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212025","5.6957","0.0014","11.85","0.007","8.61","0.005","90","","110.35","0.04","90","","544.9","0.5","295","2","295","2","","","1650000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0713","0.0691","","","0.1707","0.1729","","","","","","1.18","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212026","5.5937","0.0014","11.586","0.006","8.336","0.005","90","","110.6","0.04","90","","505.7","0.4","295","2","295","2","","","2550000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0973","0.0901","","","0.2272","0.2365","","","","","","1.154","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212027","9.2189","0.0016","9.4608","0.0017","19.696","0.003","88.101","0.003","76.706","0.004","76.982","0.003","1628.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 I4 N12 O9 Zn2 -","- C48 H64 I4 N12 O9 Zn2 -","- C48 H64 I4 N12 O9 Zn2 -","1","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0906","0.0542","","","0.1255","0.1447","","","","","","1.074","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212028","15.3104","0.0012","17.8384","0.0013","14.6419","0.0012","90","","90","","90","","3998.9","0.5","297","2","297","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cl2 N4 O3 Zn -","- C16 H20 Cl2 N4 O3 Zn -","- C128 H160 Cl16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0353","0.0274","","","0.0814","0.0859","","","","","","1.21","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212029","15.3196","0.0016","18.1947","0.0013","14.8493","0.0013","90","","90","","90","","4139","0.6","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Br2 N4 O3 Zn -","- C16 H20 Br2 N4 O3 Zn -","- C128 H160 Br16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0722","0.0414","","","0.0881","0.101","","","","","","1.018","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212030","9.327","0.0011","9.9752","0.0012","22.896","0.003","90","","91.813","0.011","90","","2129.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I2 N4 O3 Zn -","- C16 H19 I2 N4 O3 Zn -","- C64 H76 I8 N16 O12 Zn4 -","4","1","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.114","0.0631","","","0.13","0.1514","","","","","","1.034","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212031","7.9172","0.0005","23.3476","0.0015","12.7571","0.0008","90","","100.82","0.001","90","","2316.2","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl4 N10 O6 Zn2 -","- C38 H50 Cl4 N10 O6 Zn2 -","- C76 H100 Cl8 N20 O12 Zn4 -","2","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.05","0.0362","","","0.1014","0.1082","","","","","","1.057","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212032","7.9082","0.0006","23.8744","0.0016","12.8431","0.0009","90","","99.321","0.001","90","","2392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Br4 N10 O6 Zn2 -","- C38 H50 Br4 N10 O6 Zn2 -","- C76 H100 Br8 N20 O12 Zn4 -","2","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0432","0.0314","","","0.0846","0.0881","","","","","","1.06","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212033","14.8259","0.0005","7.8389","0.0002","16.1032","0.0005","90","","108.651","0.0016","90","","1773.21","0.09","273.1","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 F N O5 -","- C39 H54 F N O5 -","- C78 H108 F2 N2 O10 -","2","1","","Nakano, Kazunori; Akita, Shigendo; Murai, Taketoshi; Liu, Wen-Tzu; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Selective guest retention in thermal guest-release process in sandwich-type inclusion crystal of cholic acid","CrystEngComm","2010","12","5","1461","","10.1039/b918639e","","","1.54187","CuKα","","","0.0623","","","","0.1922","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212034","10.695","0.001","19.671","0.002","11.881","0.001","90","","98.661","0.001","90","","2471","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cd N2 O9 -","- C26 H22 Cd N2 O9 -","- C104 H88 Cd4 N8 O36 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0305","0.0258","","","0.0611","0.0638","","","","","","1.049","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212035","8.195","0.001","12.631","0.001","14.299","0.001","98.722","0.001","97.515","0.001","93.299","0.001","1445.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H51 Cd3 N6 O18.5 -","- C62 H50 Cd3 N6 O18.5 -","- C62 H50 Cd3 N6 O18.5 -","1","0.5","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0262","0.0223","","","0.0499","0.052","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212036","11.41","0.002","16.341","0.003","13.791","0.003","90","","98.474","0.004","90","","2543.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co N2 O8 -","- C26 H20 Co N2 O8 -","- C104 H80 Co4 N8 O32 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0913","0.0523","","","0.1223","0.1414","","","","","","1.016","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212037","8.2632","0.0008","11.0605","0.0011","12.7617","0.0012","80.7092","0.0012","81.0167","0.0013","69.1695","0.0011","1069.64","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Co2 N O10.25 -","- C21 H14 Co2 N O10.25 -","- C42 H28 Co4 N2 O20.5 -","2","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71073","MoKα","","0.0622","0.0439","","","0.1059","0.1169","","","","","","1.035","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212038","10.001","0.002","20.682","0.003","13.341","0.002","90","","90.525","0.006","90","","2759.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N8 O17 Zn2 -","- C56 H40 N8 O17 Zn2 -","- C112 H80 N16 O34 Zn4 -","2","0.5","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0653","0.0439","","","0.1223","0.1383","","","","","","1.061","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212039","13.345","0.004","16.436","0.002","25.792","0.005","90","","90.127","0.003","90","","5657","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N8 O17 Zn3 -","- C56 H44 N8 O17 Zn3 -","- C224 H176 N32 O68 Zn12 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0707","0.037","","","0.078","0.0897","","","","","","1.01","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212041","7.2438","0.0005","18.4781","0.0012","19.8909","0.0013","90","","90","","90","","2662.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 La N8 O14 -","- C20 H21 La N8 O14 -","- C80 H84 La4 N32 O56 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71073","MoKα","","0.0231","0.0215","","","0.0452","0.0464","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212042","11.245","0.002","18.322","0.003","13.475","0.002","90","","103.161","0.005","90","","2703.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 La N9 O15 -","- C20 H18 La N9 O15 -","- C80 H72 La4 N36 O60 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71069","MoKα","","0.0609","0.0328","","","0.0617","0.07","","","","","","1.039","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212043","7.3777","0.0016","10.187","0.002","12.57","0.003","86.803","0.004","81.176","0.004","74.745","0.004","900.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N7 O2 P -","- C16 H20 N7 O2 P -","- C32 H40 N14 O4 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71073","MoKα","","0.0864","0.0598","","","0.1499","0.2082","","","","","","1.135","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212044","14.196","0.005","15.367","0.005","16.615","0.005","76.167","0.005","87.919","0.005","64.595","0.005","3170","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cd3 Cl6 N14 O5 P2 -","- C32 H40 Cd3 Cl6 N14 O5 P2 -","- C64 H80 Cd6 Cl12 N28 O10 P4 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71069","MoKα","","0.081","0.0647","","","0.1853","0.2121","","","","","","1.093","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212045","13.957","","25.704","","15.827","","90","","93.362","","90","","5668.18","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Cd2 Cl7 N14 O8 P2 -","- C33 H41 Cd2 Cl7 N14 O8 P2 -","- C132 H164 Cd8 Cl28 N56 O32 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71069","MoKα","","0.1538","0.0829","","","0.249","0.3149","","","","","","1.033","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212046","9.632","0.002","9.769","0.002","10.179","0.003","83.769","0.004","71.882","0.004","83.372","0.004","901.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0779","0.064","","","0.1543","0.1636","","","","","","1.092","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212047","11.245","0.002","10.293","0.002","20.831","0.004","90","","92.69","0.03","90","","2408.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Ag F6 N4 P -","- C23 H24 Ag F6 N4 P -","- C92 H96 Ag4 F24 N16 P4 -","4","1","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0325","0.028","","","0.0653","0.0678","","","","","","1.052","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212048","10.1278","0.0012","10.3697","0.0012","11.5198","0.0013","87.968","0.002","64.179","0.002","67.365","0.002","992.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Ag2 F12 N8 P2 -","- C28 H44 Ag2 F12 N8 P2 -","- C28 H44 Ag2 F12 N8 P2 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0367","0.0321","","","0.085","0.0891","","","","","","1.056","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212049","8.531","0.003","12.021","0.003","14.501","0.006","110.703","0.007","92.506","0.007","108.34","0.005","1300.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Ag2 F12 N8 P2 -","- C48 H52 Ag2 F12 N8 P2 -","- C48 H52 Ag2 F12 N8 P2 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0577","0.0475","","","0.1308","0.1411","","","","","","1.038","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212050","20.2803","0.001","21.4577","0.0011","11.6771","0.0006","90","","123.745","0.001","90","","4225.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Ag2 F12 N8 P2 -","- C30 H48 Ag2 F12 N8 P2 -","- C120 H192 Ag8 F48 N32 P8 -","4","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0499","0.0436","","","0.1146","0.1204","","","","","","1.032","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212051","24.699","0.005","18.113","0.004","12.594","0.003","90","","90","","90","","5634","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C100 H112 Ag4 F24 N16 O P4 -","- C100 H112 Ag4 F24 N16 O P4 -","- C200 H224 Ag8 F48 N32 O2 P8 -","2","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1129","0.0911","","","0.1992","0.2122","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212052","11.8837","0.001","16.5498","0.0015","17.1589","0.0014","90","","97.671","0.002","90","","3344.5","0.5","296","2","296","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","1","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0915","0.0548","","","0.1685","0.1883","","","","","","0.958","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212053","16.2792","0.0017","26.712","0.003","17.4205","0.0019","90","","90","","90","","7575.3","1.4","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31.5 H30 Ag F6 N4 O0.5 P -","- C31.5 H28 Ag F6 N4 O0.5 P -","- C252 H224 Ag8 F48 N32 O4 P8 -","8","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1288","0.0939","","","0.2807","0.3366","","","","","","1.269","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212054","12.584","0.002","16.704","0.003","17.665","0.003","90.089","0.003","105.29","0.003","106.881","0.003","3415.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Co4 N8 O16 -","- C80 H72 Co4 N8 O16 -","- C160 H144 Co8 N16 O32 -","2","1","","Zheng, Yan-Zhen; Speldrich, Manfred; Kögerler, Paul; Chen, Xiao-Ming","The role of π‒π stacking in stabilizing a,a-trans-cyclohexane-1,4-dicarboxylate in a 2D Co(ii) network","CrystEngComm","2010","12","4","1057","","10.1039/b919029e","","","0.71073","MoKα","","0.0741","0.0531","","","0.1394","0.1535","","","","","","1.086","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212055","7.641","0.002","13.15","0.004","18.236","0.005","77.837","0.014","80.45","0.014","80.031","0.015","1748.1","0.9","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H38 Nd2 O34 -","- C21 H28 Nd2 O34 -","- C42 H56 Nd4 O68 -","2","1","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0691","0.0459","","","0.1073","0.1274","","","","","","1.083","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212056","9.4966","0.0019","9.602","0.0019","10.144","0.002","69.48","0.03","68.52","0.03","83.79","0.03","805.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Eu2 O30 -","- C21 H22 Eu2 O30 -","- C21 H22 Eu2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0694","0.0653","","","0.1668","0.1707","","","","","","1.112","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212057","9.507","0.002","9.649","0.002","10.1681","0.0018","69.731","0.011","68.642","0.009","84.062","0.012","814.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Gd2 O30 -","- C21 H22 Gd2 O30 -","- C21 H22 Gd2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.7107","MoKα","","0.0265","0.0231","","","0.0553","0.0564","","","","","","1.029","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212058","9.508","0.004","9.648","0.004","10.153","0.003","69.65","0.011","68.52","0.012","83.93","0.013","812.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 O30 Tb2 -","- C21 H22 O30.5 Tb2 -","- C21 H22 O30.5 Tb2 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0452","0.0403","","","0.0925","0.0948","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212059","9.4832","0.0019","9.626","0.0019","10.142","0.002","69.53","0.03","68.52","0.03","83.76","0.03","806.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Dy2 O30 -","- C21 H22 Dy2 O30 -","- C21 H22 Dy2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0454","0.0405","","","0.0965","0.0991","","","","","","1.016","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212060","9.4966","0.0019","9.602","0.0019","10.144","0.002","69.48","0.03","68.52","0.03","83.79","0.03","805.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Ho2 O30 -","- C21 H22 Ho2 O30 -","- C21 H22 Ho2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0704","0.0642","","","0.1588","0.1611","","","","","","1.046","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212061","6.1814","0.0004","10.0963","0.0007","10.8666","0.0007","97.249","0.006","95.999","0.005","103.84","0.006","646.81","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 Ho2 O26 -","- C16 H24 Ho2 O26 -","- C16 H24 Ho2 O26 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0205","0.0197","","","0.0492","0.0496","","","","","","1.072","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212062","6.3385","0.0013","10.34","0.002","13.7","0.003","108.6","0.03","94.42","0.03","106.38","0.03","802.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Er2 O30 -","- C16 H24 Er2 O30.44 -","- C16 H24 Er2 O30.44 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0272","0.0255","","","0.0653","0.0665","","","","","","1.048","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212063","6.2356","0.0012","10.183","0.002","13.466","0.003","108.55","0.03","94.37","0.03","106.45","0.03","764.3","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O30 Tm2 -","- C16 H8 O30 Tm2 -","- C16 H8 O30 Tm2 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0551","0.0556","","","","","","1.073","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212064","7.4895","0.0015","11.093","0.002","16.875","0.003","86.68","0.03","80.69","0.03","77.65","0.03","1351.1","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 O27 Yb2 -","- C16 H22 O27 Yb2 -","- C32 H44 O54 Yb4 -","2","1","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0414","0.036","","","0.1005","0.1027","","","","","","1.065","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212065","19.441","0.002","10.0363","0.0012","4.319","0.0005","90","","90","","90","","842.7","0.16","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H4 Ba O7 -","- C7 H4 Ba O7 -","- C28 H16 Ba4 O28 -","4","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0206","0.0184","","","0.0406","0.0412","","","","","","1.179","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212066","14.744","0.0003","13.7417","0.0003","16.812","0.0004","90","","90","","90","","3406.24","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl2 N4 O8 -","- C11 H18 Cl2 N4 O8 -","- C88 H144 Cl16 N32 O64 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0697","0.0488","","","0.1342","0.1478","","","","","","1.047","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212067","7.2653","0.0002","8.4142","0.0002","9.8774","0.0002","99.363","0.001","101.806","0.001","106.777","0.001","549.82","0.02","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C22 H32 N8 -","2","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.075","0.0577","","","0.1535","0.1629","","","","","","1.052","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212068","8.2313","0.0003","16.1062","0.0007","17.0904","0.0007","90","","90","","90","","2265.76","0.16","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0571","0.0457","","","0.1264","0.1337","","","","","","1.117","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212069","15.3698","0.0009","13.6543","0.0008","18.7565","0.0012","90","","90","","90","","3936.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 F6 N4 O4 -","- C15 H18 F6 N4 O4 -","- C120 H144 F48 N32 O32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0796","0.0586","","","0.1563","0.1714","","","","","","1.041","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212070","8.884","0.0007","13.093","0.0006","13.1346","0.0004","90","","90","","90","","1527.79","0.15","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C7 H11 La N10 O6 -","- C7 H11 La N10 O6 -","- C28 H44 La4 N40 O24 -","4","0.5","","Rodríguez-Diéguez, A.; Salinas-Castillo, A.; Sironi, A.; Seco, J. M.; Colacio, E.","A chiral diamondoid 3D lanthanum metal‒organic framework displaying blue-greenish long lifetime photoluminescence emission","CrystEngComm","2010","12","6","1876","","10.1039/b919243c","","","0.71073","MoKα","","0.0128","0.0125","","","0.0297","0.0298","","","","","","1.061","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212071","19.183","0.004","10.025","0.002","6.6486","0.0015","90","","105.274","0.004","90","","1233.4","0.5","273","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cu O2 -","- C6 H6 Cu O2 -","- C48 H48 Cu8 O16 -","8","1","","Hu, Tuoping; He, Haiyan; Dai, Fangna; Zhao, Xiaoliang; Sun, Daofeng","A new Cu(i) coordination polymer with the CdSO4 structure type prepared via biphasic solvothermal reaction","CrystEngComm","2010","12","7","2018","","10.1039/b919342c","","","0.71073","MoKα","","0.036","0.0277","","","0.0696","0.0759","","","","","","1.03","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212072","7.6983","0.0008","12.266","0.002","15.0185","0.0017","90","","101.447","0.009","90","","1389.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methylimidazolium hexachloridophosphate","1-ethyl-3-methylimidazolium hexachloridophosphate","","- C6 H11 Cl6 N2 P -","- C6 H11 Cl6 N2 P -","- C24 H44 Cl24 N8 P4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0384","0.0322","","","0.0723","0.075","","","","","","1.102","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212073","20.1861","0.0014","7.0842","0.0006","20.5488","0.0013","90","","98.455","0.005","90","","2906.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-ethyl-3-methylimidazolium hexachloridoniobate","1-ethyl-3-methylimidazolium hexachloridoniobate","","- C6 H11 Cl6 N2 Nb -","- C6 H11 Cl6 N2 Nb -","- C48 H88 Cl48 N16 Nb8 -","8","2","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0387","0.0316","","","0.0728","0.0766","","","","","","1.092","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212074","14.6807","0.0016","7.2421","0.0007","16.1568","0.0017","90","","101.548","0.009","90","","1683","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-4-methylpyridinium hexachloridophosphate","1-butyl-4-methylpyridinium hexachloridophosphate","","- C10 H16 Cl6 N P -","- C10 H16 Cl6 N P -","- C40 H64 Cl24 N4 P4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0593","0.0475","","","0.0992","0.106","","","","","","1.119","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212075","15.1731","0.0019","7.3248","0.0007","16.193","0.0018","90","","101.85","0.009","90","","1761.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-4-methylpyridinium hexachloridoniobate","1-butyl-4-methylpyridinium hexachloridoniobate","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C40 H64 Cl24 N4 Nb4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0464","0.035","","","0.0763","0.0809","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212076","10.3957","0.0011","23.05","0.002","14.9737","0.0016","90","","102.278","0.008","90","","3505.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-3-methylpyridinium hexachloridoniobate","1-butyl-3-methylpyridinium hexachloridoniobate","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C80 H128 Cl48 N8 Nb8 -","8","2","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0626","0.0423","","","0.0878","0.0953","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212077","31.634","0.009","9.214","0.003","8.328","0.002","90","","103.602","0.005","90","","2359.3","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H13.84 Cu2 N4 O10.92 S -","- C16 H13.84 Cu2 N4 O10.92 S -","- C64 H55.36 Cu8 N16 O43.68 S4 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0761","0.0517","","","0.1705","0.1812","","","","","","1.051","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212078","8.9863","0.0017","10.0916","0.0018","11.218","0.002","90.343","0.003","108.875","0.003","109.516","0.003","899.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu N4 O7 S -","- C15 H16 Cu N4 O7 S -","- C30 H32 Cu2 N8 O14 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0498","0.0376","","","0.0998","0.112","","","","","","0.999","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212079","15.18","0.008","12.571","0.007","8.951","0.005","90","","95.759","0.012","90","","1699.5","1.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cu N4 O4 S -","- C17 H14 Cu N4 O4 S -","- C68 H56 Cu4 N16 O16 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1627","0.0739","","","0.1789","0.2333","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212080","9.124","0.002","9.649","0.002","11.613","0.003","91.85","0.004","104.821","0.004","112.236","0.004","905.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cu N4 O4 S -","- C18 H16 Cu N4 O4 S -","- C36 H32 Cu2 N8 O8 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0887","0.048","","","0.115","0.1385","","","","","","0.841","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212081","15.945","0.004","14.811","0.004","15.159","0.004","90","","90","","90","","3580","1.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C32 H26 Cu2 N8 O11 S2 -","- C32 H26 Cu2 N8 O11 S2 -","- C128 H104 Cu8 N32 O44 S8 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1043","0.0446","","","0.0926","0.1005","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212082","29.719","0.005","7.4493","0.0013","7.5474","0.0013","90","","90","","90","","1670.9","0.5","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H12 Cd N4 O5 S -","- C15 H12 Cd N4 O5 S -","- C60 H48 Cd4 N16 O20 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0531","0.0431","","","0.1179","0.126","","","","","","1.07","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212083","10.5795","0.0007","11.5813","0.0008","13.6314","0.0009","90","","105.936","0.001","90","","1605.99","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N4 O4 S -","- C16 H12 Cd N4 O4 S -","- C64 H48 Cd4 N16 O16 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0226","0.0207","","","0.0597","0.0608","","","","","","1.01","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212084","8.8599","0.0019","9.647","0.002","11.62","0.003","87.575","0.004","80.901","0.004","70.326","0.003","923.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cd N4 O5 S -","- C17 H14 Cd N4 O5 S -","- C34 H28 Cd2 N8 O10 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0737","0.0494","","","0.1274","0.1721","","","","","","1.058","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212085","31.025","0.005","7.5923","0.0013","15.377","0.003","90","","90","","90","","3622.1","1.1","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H24 Cd2 N8 O10 S2 -","- C32 H24 Cd2 N8 O10 S2 -","- C128 H96 Cd8 N32 O40 S8 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0714","0.0459","","","0.1166","0.1265","","","","","","0.994","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212086","7.1079","0.0015","7.6454","0.0015","16.848","0.003","79.895","0.003","85.666","0.004","85.1","0.004","896.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cd N4 O6 S -","- C16 H14 Cd N4 O6 S -","- C32 H28 Cd2 N8 O12 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0712","0.0472","","","0.1147","0.1587","","","","","","1.045","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212087","4.6363","0.0003","10.3293","0.0009","19.5855","0.0016","90","","93.632","0.005","90","","936.06","0.13","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-acetyloxy-4-methylbenzoic acid","2-acetyloxy-4-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.1242","0.066","","","0.1464","0.1709","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212088","10.3912","0.0004","4.7265","0.0001","19.5116","0.0009","90","","96.383","0.002","90","","952.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-bromobenzoic acid","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0567","0.0347","","","0.0676","0.0757","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212089","10.1217","0.0004","4.7359","0.0001","19.4447","0.0007","90","","96.219","0.002","90","","926.6","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-chlorobenzoic acid","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0567","0.0387","","","0.0889","0.0973","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212090","9.7655","0.0005","4.8919","0.0002","18.3338","0.001","90","","104.739","0.003","90","","847.02","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-fluorobenzoic acid","2-acetyloxy-5-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0726","0.0445","","","0.1056","0.1226","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212091","10.7838","0.0005","4.7168","0.0002","19.5502","0.0008","90","","96.63","0.002","90","","987.77","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-iodobenzoic acid","2-acetyloxy-5-iodobenzoic acid","","- C9 H7 I O4 -","- C9 H7 I O4 -","- C36 H28 I4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0457","0.0368","","","0.0752","0.0806","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212092","10.1301","0.0003","4.8831","0.0001","18.9682","0.0007","90","","100.696","0.002","90","","921.98","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-methylbenzoic acid","2-acetyloxy-5-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0671","0.0463","","","0.107","0.1193","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212093","9.9166","0.0003","5.0444","0.0001","18.6808","0.0005","90","","99.686","0.001","90","","921.15","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-nitrobenzoic acid","2-acetyloxy-5-nitrobenzoic acid","","- C9 H7 N O6 -","- C9 H7 N O6 -","- C36 H28 N4 O24 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0436","0.036","","","0.0936","0.0999","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212096","18.239","0.002","7.3435","0.0008","25.197","0.003","90","","101.957","0.003","90","","3301.6","0.6","292","2","292","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0525","0.0468","","","0.1376","0.1418","","","","","","1.066","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212097","7.347","0.002","9.542","0.003","11.327","0.004","71.093","0.005","88.642","0.005","69.792","0.005","701.5","0.4","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic","4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C14 H15 F N2 O2 S -","- C14 H15 F N2 O2 S -","- C28 H30 F2 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0465","0.0413","","","0.1121","0.1156","","","","","","1.036","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212098","7.355","0.0009","9.4652","0.0012","12.2073","0.0016","74.218","0.002","88.672","0.002","69.844","0.002","765.37","0.17","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethy","6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.1113","0.1158","","","","","","1.068","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212099","7.294","0.003","10.43","0.004","10.634","0.004","107.6","0.006","90.61","0.006","107.82","0.006","729.4","0.5","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic","4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C28 H30 Cl2 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0747","0.0653","","","0.1745","0.1844","","","","","","1.091","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212100","8.0235","0.0003","10.6374","0.0005","11.8171","0.0004","84.489","0.003","74.115","0.003","69.045","0.004","905.9","0.07","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4- tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C17 H22 N2 O5 S -","- C17 H22 N2 O5 S -","- C34 H44 N4 O10 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0457","0.0372","","","0.1053","0.1084","","","","","","1.115","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212101","11.534","0.005","12.54","0.005","12.618","0.005","81.012","0.005","64.177","0.005","64.737","0.005","1484.7","1.1","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C56 H60 Cl4 N8 O8 S4 -","4","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","","0.7107","MoKα","","0.1149","0.0462","","","0.0834","0.0944","","","","","","0.864","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212102","12.286","0.002","8.2534","0.001","15.956","0.003","90","","106.98","0.02","90","","1547.4","0.5","292","2","292","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","","0.7107","MoKα","","0.0886","0.0494","","","0.1189","0.1297","","","","","","0.975","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212103","7.369","0.003","9.442","0.0019","13.086","0.003","102.79","0.03","90.557","0.019","110.68","0.02","826.8","0.5","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N3 O2 S -","- C16 H21 N3 O2 S -","- C32 H42 N6 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0543","0.0423","","","0.1031","0.113","","","","","","1.055","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212104","6.5621","0.0009","6.5621","0.0009","11.954","0.002","90","","90","","90","","514.75","0.13","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Lu2 O7 Si2 -","- Lu2 O7 Si2 -","- Lu8 O28 Si8 -","4","0.5","","Wang, Chao; Liu, Xiaoyang; Fleet, M. E.; Li, Jixue; Feng, Shouhua; Xu, Ruren; Jin, Zhenmin","Helical chain observed under transmission electron microscope: Synthesis and structure refinement of lutetium disilicate Lu2Si2O7","CrystEngComm","2010","12","5","1617","","10.1039/b919658g","","","0.71073","MoKα","","0.0517","0.0379","","","0.075","0.0815","","","","","","1.064","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212105","10.6979","0.0008","10.8874","0.0008","14.7652","0.0016","91.651","0.001","93.543","0.001","118.564","0.001","1504.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Co Cu N4 O8 -","- C30 H20 Co Cu N4 O8 -","- C60 H40 Co2 Cu2 N8 O16 -","2","1","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","","0.71073","MoKα","","0.0449","0.0366","","","0.1055","0.1111","","","","","","1.044","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212106","20.584","0.004","11.949","0.002","15.098","0.003","90","","90","","90","","3713.5","1.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H68 Co4 N16 O16 -","- C72 H68 Co4 N16 O16 -","- C144 H136 Co8 N32 O32 -","2","0.25","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","x-ray","0.71073","MoKα","","0.0633","0.0492","","","0.1318","0.1411","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212107","20.565","0.0018","35.458","0.003","10.1333","0.0009","90","","114.978","0.001","90","","6698","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 Eu5 N9 O50 S12 -","- C18 H72 Eu5 N9 O50 S12 -","- C72 H288 Eu20 N36 O200 S48 -","4","0.5","","Zheng, Lei; Xu, Yan; Zhang, Xiaoliang; Zhang, Zhibin; Zhu, Dunru; Chen, Su; Elangovan, S. P.","(C2H8N)9[Eu5(SO4)12]·2H2O: the first europium sulfate open-framework containing two kinds of intersecting extra-large 20-membered ring channels","CrystEngComm","2010","12","3","694","","10.1039/b919703f","","","0.71073","MoKα","","0.0588","0.0489","","","0.1481","0.1536","","","","","","1.153","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7212108","20.905","0.002","25.404","0.002","18.869","0.002","90","","90.788","0.003","90","","10019.8","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H114 N12 Na2 Ni5 O28 -","- C100 H114 N12 Na2 Ni5 O28 -","- C400 H456 N48 Na8 Ni20 O112 -","4","0.5","","Nayak, Malabika; Jana, Arpita; Fleck, Michel; Hazra, Susanta; Mohanta, Sasankasekhar","A unique example of a three component cocrystal of metal complexes","CrystEngComm","2010","12","5","1416","","10.1039/b919803b","","","0.71073","MoKα","","0.089","0.0498","","","0.0961","0.1159","","","","","","1.021","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212109","16.7617","0.0002","16.457","0.0002","19.1902","0.0002","90","","90","","90","","5293.56","0.11","210","2","210","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Ag Cl N6 O4 -","- C26 H20 Ag Cl N6 O4 -","- C208 H160 Ag8 Cl8 N48 O32 -","8","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0443","0.0314","","","0.0805","0.0876","","","","","","1.014","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212110","10.5733","0.0004","11.1066","0.0004","21.3032","0.0008","98.176","0.002","93.162","0.002","97.274","0.002","2449.52","0.16","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Ag B F4 N12 -","- C52 H40 Ag B F4 N12 -","- C104 H80 Ag2 B2 F8 N24 -","2","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0656","0.0453","","","0.1113","0.1237","","","","","","1.025","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212111","12.162","0.009","13.554","0.009","17.423","0.013","90","","96.672","0.019","90","","2853","4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H26 Ag N7 O4 -","- C28 H26 Ag N7 O4 -","- C112 H104 Ag4 N28 O16 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0688","0.0416","","","0.1065","0.1182","","","","","","0.978","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212112","25.062","0.007","9.816","0.003","23.111","0.007","90","","106.78","0.006","90","","5443","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H43 N15 S2 Zn -","- C56 H43 N15 S2 Zn -","- C224 H172 N60 S8 Zn4 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.263","0.0564","","","0.0913","0.138","","","","","","1.045","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212113","10.38","0.006","11.008","0.007","11.174","0.007","105.477","0.01","91.417","0.011","103.155","0.01","1193.2","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Ag N7 O3 -","- C26 H20 Ag N7 O3 -","- C52 H40 Ag2 N14 O6 -","2","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.043","0.0334","","","0.0839","0.088","","","","","","1.1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212114","8.5305","0.0008","10.6074","0.001","14.4874","0.0013","92.912","0.002","92.474","0.002","104.149","0.002","1267.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 Cl2 Fe N13 -","- C54 H43 Cl2 Fe N13 -","- C54 H43 Cl2 Fe N13 -","1","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.1641","0.0698","","","0.1108","0.1267","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212115","9.4934","0.0014","10.3652","0.0017","14.878","0.002","85.775","0.003","84.341","0.003","79.168","0.003","1428.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Mn N14 O S2 -","- C56 H46 Mn N14 O S2 -","- C56 H46 Mn N14 O S2 -","1","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.1251","0.0704","","","0.164","0.1842","","","","","","1.041","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212116","19.9086","0.0016","14.5963","0.0012","17.3028","0.0015","90","","91.45","0.002","90","","5026.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 N14 S2 Zn -","- C54 H40 N14 S2 Zn -","- C216 H160 N56 S8 Zn4 -","4","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0747","0.042","","","0.088","0.0963","","","","","","1.021","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212117","11.9176","0.0009","12.9766","0.001","18.0229","0.0013","92.708","0.001","98.424","0.001","106.955","0.001","2625.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H37 Li0 N4 O44 P Sn W11 -","- C14 H37 N4 O44 P Sn W11 -","- C28 H74 N8 O88 P2 Sn2 W22 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0454","0.037","","","0.0915","0.0954","","","","","","1.048","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212118","13.828","0.001","20.9602","0.0015","24.262","0.0018","90","","93.688","0.001","90","","7017.5","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 K7 O75 P2 Sn W17 -","- C7 H5 K7 O75 P2 Sn W17 -","- C28 H20 K28 O300 P8 Sn4 W68 -","4","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0467","0.0359","","","0.0876","0.0931","","","","","","1.057","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212119","13.0559","0.0017","40.252","0.005","17.858","0.003","90","","108.789","0.002","90","","8885","2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16 H45 K N5 O78 P2 Rb0 Sn W20 -","- C16 H45 K N5 O78 P2 Sn W20 -","- C64 H180 K4 N20 O312 P8 Sn4 W80 -","4","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0765","0.0557","","","0.1221","0.1303","","","","","","1.12","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212120","10.636","0.0018","18.174","0.003","12.645","0.002","90","","104.343","0.002","90","","2368.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O9 -","- C22 H21 N7 O9 -","- C88 H84 N28 O36 -","4","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0566","0.0403","","","0.0925","0.1012","","","","","","1.027","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212121","11.363","0.005","12.402","0.005","13.447","0.009","111.29","0.014","106.24","0.014","101.63","0.01","1594.9","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 N9 O9 -","- C27 H39 N9 O9 -","- C54 H78 N18 O18 -","2","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0853","0.0542","","","0.1409","0.1625","","","","","","1.033","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212122","10.5136","0.0008","10.8271","0.0008","11.7809","0.0008","91.09","0.002","93.523","0.002","106.484","0.001","1282.56","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N9 O10 -","- C21 H27 N9 O10 -","- C42 H54 N18 O20 -","2","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0533","0.0468","","","0.127","0.1338","","","","","","1.002","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212123","26.309","0.004","9.8633","0.0014","25.97","0.003","90","","112.137","0.002","90","","6242.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 Cl3 N6 O2.5 -","- C27 H43 Cl3 N6 O2.5 -","- C216 H344 Cl24 N48 O20 -","8","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0493","0.0362","","","0.0875","0.0939","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212129","22.8333","0.0006","25.7253","0.0006","6.42264","0.00016","90","","105.895","0.003","90","","3628.37","0.17","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H40 Cu3 F24 N8 O14 -","- C60 H28 Cu3 F24 N8 O8 -","- C120 H56 Cu6 F48 N16 O16 -","2","0.25","","Seidel, Rüdiger W.; Oppel, Iris M.","Assembly of a rhomboidally distorted (4,4)-net based polymeric sheet structure bearing copper(ii) 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","4","1051","","10.1039/b920109b","","","1.54178","CuKα","","0.0567","0.0416","","","0.0986","0.1023","","","","","","0.902","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212133","16.293","0.003","15.589","0.003","16.355","0.003","90","","93.92","0.03","90","","4144.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 N8 O12 Zn3 -","- C46 H32 N8 O12 Zn3 -","- C184 H128 N32 O48 Zn12 -","4","1","","Luo, Feng; Luo, Ming-biao; Liu, Yun-hai","Temperature-controlled structure diversity observed in the Zn(ii)-oxalate-4,4′-bipyridine three-member system","CrystEngComm","2010","12","6","1750","","10.1039/b920320f","","","0.71073","MoKα","","0.1341","0.1072","","","0.287","0.2994","","","","","","1.092","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212134","13.3491","0.0004","9.3741","0.0003","13.6106","0.0004","90","","96.141","0.002","90","","1693.4","0.09","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","SP52","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","1","","Liu, Yen-Hsiang; Fang, Hsiao-Ping; Jhang, Pei-Ci; Peng, Chia-Chien; Chien, Po-Hsiu; Yang, Hsiao-Ching; Huang, Yun-Chieh; Lo, Yu-Lin","A new Cd4-2,4-pyridinedicarboxylate layered coordination polymer consisting of intralayer cavities and reversible network self-adaptation upon dehydration/moisture-absorption","CrystEngComm","2010","12","6","1779","","10.1039/b920419a","","x-ray","0.71073","MoKα","","0.0551","0.0415","","","0.1007","0.1314","","","","","","1.163","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212138","15.4573","0.0008","20.2952","0.001","35.997","0.0017","101.17","0.003","102.112","0.002","98.015","0.002","10639.4","0.9","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C318.5 H634.5 O281.2 -","- C318.5 H634.438 O281.16 -","- C318.5 H634.438 O281.16 -","1","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1347","0.0759","","","0.1922","0.2323","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212139","19.156","0.004","24.075","0.005","32.596","0.007","90","","90","","90","","15033","5","173","2","173","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C109.15 H140 O90.18 -","- C109.155 H140 O90.185 -","- C436.62 H560 O360.74 -","4","0.5","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1023","0.0512","","","0.111","0.1269","","","","","","0.879","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212140","29.4201","0.0001","29.8907","0.0002","30.6856","0.0003","90","","90","","90","","26984.5","0.3","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C208 H403.4 O171.7 -","- C208 H406.6 O171.3 -","- C832 H1626.4 O685.2 -","4","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.113","0.0777","","","0.1654","0.1859","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212141","13.594","0.0014","10.711","0.0007","11.95","0.0011","90","","93.87","0.05","90","","1736","0.3","298","2","298","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Na2 Ni O12 -","- C14 H14 N2 Na2 Ni O12 -","- C56 H56 N8 Na8 Ni4 O48 -","4","1","","Calderon-Casado, Ainhoa; Barandika, Gotzone; Bazan, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Unprecedented coordination modes for PDC (pyridine-2,5-dicarboxylate) in polymorphic 3D heterobimetallic compounds α- and β-[MNa2(PDC)2(H2O)4], with M = Ni, Co","CrystEngComm","2010","12","6","1784","","10.1039/b920624h","","","0.71073","MoKα","","0.0927","0.0358","","","0.0428","0.0502","","","","","","0.665","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212142","9.9953","0.0007","10.6963","0.0007","13.3207","0.0007","90.574","0.005","101.757","0.005","113.449","0.006","1272.53","0.16","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H42 N6 Na6 Ni3 O36 -","- C42 H42 N6 Na6 Ni3 O36 -","- C42 H42 N6 Na6 Ni3 O36 -","1","0.5","","Calderon-Casado, Ainhoa; Barandika, Gotzone; Bazan, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Unprecedented coordination modes for PDC (pyridine-2,5-dicarboxylate) in polymorphic 3D heterobimetallic compounds α- and β-[MNa2(PDC)2(H2O)4], with M = Ni, Co","CrystEngComm","2010","12","6","1784","","10.1039/b920624h","","","0.71073","MoKα","","0.07","0.0368","","","0.066","0.0691","","","","","","0.833","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212143","8.2948","0.0007","9.4737","0.001","9.7296","0.0008","102.028","0.006","100.085","0.006","106.708","0.006","693.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cr2 K4 O24 -","- C12 H10 Cr2 K4 O24 -","- C12 H10 Cr2 K4 O24 -","1","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.0568","0.0379","","","0.0907","0.0964","","","","","","1.04","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212144","16.7161","0.0004","11.3208","0.001","20.1947","0.0014","90","","102.637","0.005","90","","3729.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H98 Cl4 Cr2 Cu4 N16 O42 -","- C36 H82 Cl4 Cr2 Cu4 N16 O42 -","- C72 H164 Cl8 Cr4 Cu8 N32 O84 -","2","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.1193","0.0629","","","0.1682","0.1997","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212145","9.1804","0.0005","9.6532","0.0005","13.0261","0.0006","106.313","0.004","103.821","0.004","95.435","0.005","1059.48","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H64 Cr2 N8 Ni O26 -","- C24 H48 Cr2 N8 Ni O26 -","- C24 H48 Cr2 N8 Ni O26 -","1","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.1165","0.0542","","","0.116","0.1368","","","","","","1.027","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212146","8.6708","0.0017","8.6708","0.0029","11.4236","0.001","90","","90","","120","","743.8","0.3","293","2","293","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C7 H21 Gd O13 -","- C7 H7 Gd O13 -","- C14 H14 Gd2 O26 -","2","0.333333","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","MoKα","","0.0291","0.0203","","","0.0413","0.044","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212149","11.3213","0.0008","11.3297","0.0008","21.2344","0.0014","102.188","0.001","93.507","0.001","99.41","0.001","2613.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H87 N10 O23.5 Zn5 -","- C120 H84 N10 O23.432 Zn5 -","- C120 H84 N10 O23.432 Zn5 -","1","0.5","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.067","0.0544","","","0.1444","0.154","","","","","","1.057","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212150","11.623","0.003","19.684","0.005","10.774","0.002","90","","93.452","0.004","90","","2460.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N2 O5.5 Zn -","- C24 H18 N2 O5.5 Zn -","- C96 H72 N8 O22 Zn4 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0922","0.0669","","","0.2173","0.2455","","","","","","1.001","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212151","10.998","0.008","13.227","0.01","14.682","0.011","90","","93.401","0.013","90","","2132","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0435","0.0357","","","0.1104","0.1154","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212152","16.482","0.002","8.7429","0.0011","20.933","0.003","90","","112.531","0.002","90","","2786.2","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O8 Zn2 -","- C31 H26 N2 O8.223 Zn2 -","- C124 H104 N8 O32.892 Zn8 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0331","0.0277","","","0.0693","0.0731","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212153","21.1155","0.0016","10.8732","0.0008","12.6378","0.001","90","","95.168","0.001","90","","2889.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0288","0.024","","","0.0646","0.067","","","","","","1.055","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212154","12.61","0.003","23.552","0.006","14.121","0.004","90","","90","","90","","4193.8","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 N12 O12 S Zn -","- C34 H52 N12 O12 S Zn -","- C136 H208 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0679","0.0395","","","0.0998","0.1127","","","","","","1.028","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212155","12.7357","0.0012","23.931","0.002","14.2117","0.0013","90","","90","","90","","4331.4","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 Cd N12 O12 S -","- C34 H52 Cd N12 O12 S -","- C136 H208 Cd4 N48 O48 S4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0657","0.0344","","","0.0777","0.0915","","","","","","1.016","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212156","13.1181","0.0014","23.502","0.002","14.1772","0.0015","90","","90","","90","","4370.9","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H56 N12 O12 S Zn -","- C36 H32 N12 O12 S Zn -","- C144 H128 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0803","0.0559","","","0.1672","0.186","","","","","","1.079","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212157","11.746","0.0008","7.1253","0.0005","12.3756","0.0009","90","","96.584","0.001","90","","1028.93","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C46 H46 N2 O4 S4 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0512","0.0429","","","0.0953","0.0991","","","","","","1.046","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212158","16.974","0.0018","9.2667","0.001","22.0941","0.0017","90","","126.589","0.005","90","","2790.4","0.5","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Ag Cl2 F6 N O2 P S2 -","- C24 H25 Ag Cl2 F6 N O2 P S2 -","- C96 H100 Ag4 Cl8 F24 N4 O8 P4 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.118","0.0887","","","0.1865","0.1993","","","","","","1.14","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212159","9.6205","0.0006","19.9138","0.0012","12.7424","0.0008","90","","105.035","0.001","90","","2357.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Ag Cl N O6 S2 -","- C23 H23 Ag Cl N O6 S2 -","- C92 H92 Ag4 Cl4 N4 O24 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0397","0.0329","","","0.0767","0.0824","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212160","13.511","0.0012","13.8785","0.0012","13.9628","0.0012","69.59","0.002","66.22","0.001","77.622","0.002","2237.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H46 Ag F6 N2 O4 P S4 -","- C46 H46 Ag F6 N2 O4 P S4 -","- C92 H92 Ag2 F12 N4 O8 P2 S8 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0538","0.0468","","","0.1036","0.1072","","","","","","1.154","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212161","30.1951","0.0015","12.3606","0.0006","13.921","0.0007","90","","90","","90","","5195.7","0.4","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23 H23 Cl2 Hg N O10 S2 -","- C23 H23 Cl2 Hg N O10 S2 -","- C184 H184 Cl16 Hg8 N8 O80 S16 -","8","0.5","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0278","0.024","","","0.0585","0.0602","","","","","","1.111","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212162","10.2253","0.0007","8.3445","0.0006","29.2722","0.0018","90","","101.355","0.003","90","","2448.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 Hg N O3 S2 -","- C23 H25 Cl2 Hg N O3 S2 -","- C92 H100 Cl8 Hg4 N4 O12 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0924","0.0545","","","0.1296","0.1544","","","","","","1.059","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212167","18.395","0.003","5.3096","0.0009","11.993","0.002","90","","109.004","0.003","90","","1107.5","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.052","0.0458","","","0.1076","0.111","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212168","5.7798","0.0006","8.7059","0.0009","10.3704","0.0011","83.7","0.002","84.555","0.002","76.231","0.002","502.49","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","1","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.0348","0.0341","","","0.0873","0.0879","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212169","12.8887","0.0008","4.97","0.0003","20.9607","0.0019","90","","91.546","0.004","90","","1342.19","0.17","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.71073","MoKα","","0.0947","0.0751","","0.1382","0.1313","0.1382","","","","","","1.0989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212170","12.7925","0.0011","4.9356","0.0005","20.415","0.005","90","","92.266","0.014","90","","1288","0.4","293","","293","","","","300000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.1055","0.0541","","0.1282","0.1065","0.1282","","","","","","0.9885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212171","12.5438","0.0006","4.8464","0.0003","19.203","0.003","90","","93.648","0.007","90","","1165","0.2","293","","293","","","","2000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0675","0.0465","","0.1099","0.1023","0.1099","","","","","","0.9987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212172","12.3706","0.0007","4.7918","0.0003","18.398","0.003","90","","94.078","0.008","90","","1087.8","0.2","293","","293","","","","4000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0722","0.0503","","0.1193","0.1116","0.1193","","","","","","0.9982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212173","12.2791","0.0007","4.7643","0.0003","17.9649","0.0017","90","","93.96","0.004","90","","1048.46","0.13","293","","293","","","","5100000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0657","0.0477","","0.1239","0.1161","0.1239","","","","","","1.0462","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212174","3.8938","0.0004","5.5612","0.0006","28.566","0.008","90","","90","","90","","618.6","0.2","293","","293","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0932","0.0493","","0.1261","0.1062","0.1261","","","","","","1.0518","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212178","14.688","0.003","12.574","0.003","12.574","0.003","90","","90","","90","","2322.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.1393","0.0527","","","0.0878","0.1133","","","","","","0.954","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212179","8.914","0.005","13.613","0.005","18.028","0.006","90","","90","","90","","2187.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0432","0.0306","","","0.0746","0.0803","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212180","12.863","0.002","7.992","0.003","22.218","0.003","90","","118.65","0.02","90","","2004.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl) ethan-1-one thiosemicarbazone di dimethylaminium cation sulfate","1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl) ethan-1-one thiosemicarbazone di dimethylaminium cation sulfate","","- C13 H27 N5 O7 S2 -","- C13 H27 N5 O7 S2 -","- C52 H108 N20 O28 S8 -","4","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0836","0.0423","","","0.0908","0.1094","","","","","","1.029","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212181","9.827","0.0001","7.2917","0.0001","16.3656","0.0003","90","","91.729","0.001","90","","1172.15","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxyphenyl)ethan-1-one N,N-dimethylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N,N-dimethylthiosemicarbazone","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C44 H60 N12 O4 S4 -","4","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0339","0.0299","","","0.082","0.0852","","","","","","1.051","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212182","5.5243","0.0002","10.5902","0.0004","12.2174","0.0005","73.835","0.003","86.048","0.003","87.208","0.003","684.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-(2-hydroxyphenyl)ethan-1-one N-phenylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C30 H30 N6 O2 S2 -","2","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0453","0.032","","","0.0812","0.0854","","","","","","1.046","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212183","10.5932","0.0008","11.4042","0.0008","11.6692","0.0009","90","","90","","90","","1409.72","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0636","0.0561","","","0.1417","0.148","","","","","","1.053","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212184","9.7552","0.0006","11.0921","0.0007","12.3352","0.0008","90","","90","","90","","1334.74","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0342","0.0325","","","0.0835","0.0842","","","","","","1.044","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212185","7.7637","0.0006","8.5895","0.0006","12.785","0.0009","105.386","0.001","98.584","0.001","105.804","0.001","768.08","0.1","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C40 H26 N2 O4 S2 -","2","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0452","0.0406","","","0.1033","0.1067","","","","","","1.035","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212186","7.6159","0.0005","10.3651","0.0007","17.2948","0.0012","90","","90","","90","","1365.24","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0323","0.0303","","","0.0754","0.0762","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212187","6.8238","0.0008","6.9867","0.0008","8.9138","0.0009","82.198","0.007","81.8","0.007","81.286","0.008","412.93","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H9 N O6 P2 Pb -","- C3 H9 N O6 P2 Pb -","- C6 H18 N2 O12 P4 Pb2 -","2","1","","Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei","Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius","CrystEngComm","2010","12","6","1774","","10.1039/b921440b","","","0.71073","MoKα","","0.0281","0.0251","","","0.0562","0.0578","","","","","","1.084","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212188","8.9531","0.0003","9.17","0.0003","10.6859","0.0003","102.694","0.001","91.852","0.001","90.551","0.001","855.3","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ba2 N2 O12 P4 -","- C6 H18 Ba2 N2 O12 P4 -","- C12 H36 Ba4 N4 O24 P8 -","2","1","","Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei","Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius","CrystEngComm","2010","12","6","1774","","10.1039/b921440b","","","0.71073","MoKα","","0.0266","0.0248","","","0.0683","0.0694","","","","","","1.067","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212189","9.782","0.002","13.609","0.003","17.742","0.003","68.476","0.006","82.789","0.007","71.747","0.005","2086.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 Mn3 N4 O14 -","- C44 H32 Mn3 N4 O14 -","- C88 H64 Mn6 N8 O28 -","2","1","","Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian","A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure","CrystEngComm","2010","12","5","1467","","10.1039/b921483f","","","0.71073","MoKα","","","0.0534","","","0.1475","0.1635","","","","","","1.006","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212190","12.596","0.005","9.623","0.003","15.059","0.005","90","","95.715","0.007","90","","1816.2","1.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Mn N2 O7 -","- C18 H18 Mn N2 O7 -","- C72 H72 Mn4 N8 O28 -","4","1","","Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian","A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure","CrystEngComm","2010","12","5","1467","","10.1039/b921483f","","","0.71073","MoKα","","","0.0316","","","0.086","0.0911","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212194","18.733","0.002","10.2319","0.0014","20.283","0.003","90","","90","","90","","3887.7","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Mn(M4)(dmf)]-1/2(DMF)","","- C18.5 H18.5 Mn N3.5 O6.5 -","- C18.5 H18.5 Mn N3.5 O6.5 -","- C148 H148 Mn8 N28 O52 -","8","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0731","0.0463","","","0.0987","0.1091","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212195","7.5082","0.0008","10.0409","0.001","13.2633","0.0013","71.085","0.002","77.809","0.001","73.521","0.002","899.19","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Mn N2 O11 -","- C14 H20 Mn N2 O11 -","- C28 H40 Mn2 N4 O22 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0409","0.0384","","","0.1022","0.1045","","","","","","1.069","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212196","8.0877","0.0011","9.9836","0.0014","10.5561","0.0014","64.586","0.002","84.224","0.001","82.821","0.002","762.78","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Co N2 O8 -","- C14 H14 Co N2 O8 -","- C28 H28 Co2 N4 O16 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0477","0.0418","","","0.1036","0.1075","","","","","","1.048","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212197","7.6371","0.001","9.699","0.0012","11.8615","0.0014","104.913","0.002","104.438","0.001","92.998","0.002","815.81","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 Co N3 O5 -","- C19 H12 Co N3 O5 -","- C38 H24 Co2 N6 O10 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0406","0.0361","","","0.0926","0.095","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212198","7.698","0.005","17.961","0.012","12.777","0.009","90","","102.005","0.009","90","","1728","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Co N4 O7 -","- C17 H16 Co N4 O7 -","- C68 H64 Co4 N16 O28 -","4","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0563","0.0471","","","0.1317","0.1362","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212199","7.435","0.003","18.746","0.005","12.541","0.005","90","","101.762","0.014","90","","1711.2","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(M4)(Im)(H2O)]-H2O","","- C17 H16 Cu N4 O7 -","- C17 H16 Cu N4 O7 -","- C68 H64 Cu4 N16 O28 -","4","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0371","0.032","","","0.0739","0.0765","","","","","","1.04","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212200","11.872","0.002","14.84","0.003","20.235","0.004","88.91","0.03","89.18","0.03","69.63","0.03","3341.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H57 As6 Cu2.5 N10 O45 V15 -","- C15 H50 As6 Cu2.5 N10 O45 V15 -","- C30 H100 As12 Cu5 N20 O90 V30 -","2","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.0954","0.0637","","","0.1728","0.197","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212201","36.286","0.0017","36.286","0.0017","21.425","0.003","90","","90","","120","","24430","4","273","2","273","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6 H32 As8 N4 O46 V14 -","- C6 H24 As8 N4 O46 V14 -","- C108 H432 As144 N72 O828 V252 -","18","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.082","0.0546","","","0.1341","0.1482","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212203","9.3776","0.0011","9.5002","0.001","9.7109","0.0012","70.32","0.011","66.525","0.012","89.942","0.009","738.25","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F N2 -","- C18 H17 F N2 -","- C36 H34 F2 N4 -","2","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71069","MoKα","","0.052","0.0431","","","0.11","0.1175","","","","","","1.108","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212204","9.407","0.0011","10.3158","0.0011","10.7475","0.0012","116.008","0.011","97.704","0.009","104.225","0.01","872.9","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl I N2 -","- C18 H16 Cl I N2 -","- C36 H32 Cl2 I2 N4 -","2","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71073","MoKα","","0.0488","0.0376","","","0.1055","0.1147","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212205","10.199","0.002","16.027","0.002","10.752","0.003","90","","117.549","0.002","90","","1558.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71069","MoKα","","0.0652","0.0594","","","0.1567","0.1695","","","","","","1.108","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212206","20.1966","0.0006","20.1966","0.0006","25.1389","0.0015","90","","90","","120","","8880.4","0.6","293","2","163.15","","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.0288","0.0229","","","0.0509","0.0536","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212207","20.222","0.003","20.222","0.003","25.168","0.005","90","","90","","120","","8913","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.042","0.031","","","0.0678","0.0745","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212208","10.861","0.002","17.249","0.002","18.531","0.002","90","","96.916","0.004","90","","3446.4","0.8","108.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cl2 O -","- C19 H20 Cl2 O -","- C152 H160 Cl16 O8 -","8","2","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.1868","","","","0.5145","","","","","","1.262","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212209","10.3663","0.0003","15.8579","0.0004","10.7014","0.0003","90","","110.985","0.0009","90","","1642.5","0.08","133.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl O -","- C19 H21 Cl O -","- C76 H84 Cl4 O4 -","4","1","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.0708","","","","0.2626","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212210","16.994","0.002","16.994","0.002","6.2966","0.0007","90","","90","","120","","1574.8","0.3","173","2","173","2","","","","","","","","4","P 64","P 64","172","","","","- C21.33 H29.33 N4 O2.33 -","- C20 H26 N4 O2 -","- C60 H78 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0379","0.0348","","","0.0853","0.0869","","","","","","1.111","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212211","8.327","0.002","12.216","0.003","9.643","0.003","90","","98.648","0.006","90","","969.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0824","0.0541","","","0.1389","0.1569","","","","","","1.038","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212212","16.939","0.001","16.939","0.001","6.2865","0.0005","90","","90","","120","","1562.12","0.18","173","2","173","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H27 Cl N4 O2 -","- C20.5 H27 Cl N4 O2 -","- C61.5 H81 Cl3 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0843","0.0519","","","0.1183","0.1338","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212213","7.26","0.003","12.744","0.006","16.409","0.008","75.833","0.007","88.378","0.007","87.605","0.007","1470.5","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 N4 O14 -","- C24 H42 N4 O14 -","- C48 H84 N8 O28 -","2","1","","Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning","Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network","CrystEngComm","2010","12","7","2011","","10.1039/b922188c","","","0.71073","MoKα","","0.1637","0.0804","","","0.2197","0.265","","","","","","1.002","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212214","6.2017","0.0009","8.3441","0.0013","9.6508","0.0014","91.155","0.002","93.378","0.002","94.221","0.002","497.04","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","1","0.5","","Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning","Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network","CrystEngComm","2010","12","7","2011","","10.1039/b922188c","","","0.71073","MoKα","","0.1187","0.0764","","","0.1883","0.2184","","","","","","1.074","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212215","14.1957","0.001","15.7796","0.0011","18.5297","0.0012","90","","90","","90","","4150.7","0.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cd Cl2 N12 O12 -","- C30 H52 Cd Cl2 N12 O12 -","- C120 H208 Cd4 Cl8 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0458","0.0432","","","0.1213","0.1241","","","","","","1.061","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212216","14.2829","0.0014","15.3547","0.0015","18.6193","0.0018","90","","90","","90","","4083.4","0.7","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H40 Cd N14 O12 -","- C30 H40 Cd N14 O12 -","- C120 H160 Cd4 N56 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0574","0.0481","","","0.1039","0.1073","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212217","14.128","0.008","16.005","0.01","18.14","0.011","90","","90","","90","","4102","4","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cl2 Co N12 O12 -","- C30 H52 Cl2 Co N12 O12 -","- C120 H208 Cl8 Co4 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0925","0.0699","","","0.1779","0.1941","","","","","","1.086","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212218","21.53","0.04","18.26","0.04","21.45","0.04","90","","96.11","0.03","90","","8385","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Co N12 O16 S -","- C30 H40 Co N12 O16 S -","- C240 H320 Co8 N96 O128 S8 -","8","1","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.199","0.1029","","","0.2693","0.3458","","","","","","0.991","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212219","15.9264","0.0005","18.2649","0.0006","19.6173","0.0006","90","","106.103","0.001","90","","5482.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H49 Cu5 N8 O18 -","- C58 H49 Cu5 N8 O18 -","- C232 H196 Cu20 N32 O72 -","4","1","","Nadeem, Muhammad Arif; Bhadbhade, Mohan; Bircher, Roland; Stride, John Arron","Three isolated structural motifs in one crystal: penetration of two 1D chains through large cavities within 2D polymeric sheets","CrystEngComm","2010","12","5","1391","","10.1039/b922698m","","","0.71073","MoKα","","0.0375","0.0304","","","0.0985","0.1073","","","","","","0.851","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212220","21.5673","0.0011","10.1496","0.0005","16.1354","0.0005","90","","94.849","0.003","90","","3519.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N4 O4 Pb -","- C21 H12 N4 O4 Pb -","- C168 H96 N32 O32 Pb8 -","8","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing","4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers","CrystEngComm","2010","12","6","1850","","10.1039/b922767a","","","0.71073","MoKα","","0.0559","0.0404","","","0.0972","0.1031","","","","","","1.007","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212221","10.594","0.002","10.716","0.002","14.99","0.003","85.91","0.03","80.52","0.03","89.68","0.03","1674.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N6 O19 Pb4 -","- C27 H12 N6 O19 Pb4 -","- C54 H24 N12 O38 Pb8 -","2","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing","4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers","CrystEngComm","2010","12","6","1850","","10.1039/b922767a","","","0.71073","MoKα","","0.0457","0.0384","","","0.106","0.1105","","","","","","1.113","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212222","11.0178","0.0005","7.5596","0.0004","10.9232","0.0005","90","","106.591","0.001","90","","871.92","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.07","0.0477","","","0.1235","0.1381","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212223","7.393","0.001","7.6748","0.0011","12.1165","0.0017","75.374","0.002","83.368","0.002","79.04","0.002","651.43","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0399","0.0361","","","0.0966","0.1002","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212224","10.0116","0.0004","9.8622","0.0004","19.4872","0.0008","90","","104.437","0.001","90","","1863.34","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C72 H64 N32 O16 -","8","2","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0714","0.0436","","","0.1016","0.1114","","","","","","1.021","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212225","7.6935","0.0004","14.8559","0.0008","12.8855","0.0007","90","","105.972","0.002","90","","1415.88","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0763","0.0448","","","0.1126","0.1265","","","","","","1.01","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212226","10.3247","0.0004","15.4035","0.0007","8.3413","0.0004","90","","98.056","0.001","90","","1313.48","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu N8 O8 -","- C20 H26 Cu N8 O8 -","- C40 H52 Cu2 N16 O16 -","2","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0787","0.0534","","","0.1567","0.1711","","","","","","1.06","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212227","15.6709","0.0013","10.8951","0.0009","11.3147","0.001","90","","90","","90","","1931.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 Cu N4 O5 -","- C15 H23.128 Cu N4 O5.128 -","- C60 H92.512 Cu4 N16 O20.512 -","4","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0558","0.0315","","","0.0849","0.1001","","","","","","1.025","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212228","17.216","0.003","6.674","0.001","23.473","0.005","90","","90","","90","","2697","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Isophthalic acid DABCO","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1838","0.0575","","","0.1145","0.1513","","","","","","0.865","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212229","21.223","0.002","6.675","0.001","10.304","0.001","90","","116.45","0.01","90","","1306.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Dinicotinic acid DABCO","","","- C26 H34 N6 O8 -","- C26 H34 N6 O8 -","- C52 H68 N12 O16 -","2","0.25","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0905","0.0428","","","0.103","0.1136","","","","","","0.918","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212230","10.275","0.001","7.122","0.001","17.45","0.001","90","","90","","90","","1277","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dipicolinic acid DABCO","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","0.5","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0541","0.04","","","0.1158","0.1219","","","","","","1.063","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212231","9.3743","0.0007","10.3573","0.0006","12.2042","0.0007","84.468","0.005","83.268","0.005","67.587","0.007","1086.15","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H33 N5 O6 -","- C19 H33 N5 O6 -","- C38 H66 N10 O12 -","2","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1207","0.0677","","","0.1786","0.1984","","","","","","1.039","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212232","10.9881","0.0019","4.3351","0.0007","20.561","0.004","90","","98.561","0.003","90","","968.5","0.3","180","2","180","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0436","0.0331","","","0.0843","0.0893","","","","","","0.973","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212233","11.7861","0.0005","7.229","0.0003","23.2069","0.0009","90","","90","","90","","1977.27","0.14","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0357","0.0322","","","0.0855","0.0893","","","","","","1.059","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212234","10.035","0.002","21.349","0.004","11.489","0.002","90","","105.67","0.03","90","","2369.9","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H60 Br Cu2 K N4 O9 -","- C49 H60 Br Cu2 K N4 O9 -","- C98 H120 Br2 Cu4 K2 N8 O18 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0482","0.0475","","","0.1195","0.1204","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212235","9.83","0.002","11.531","0.002","12.209","0.002","105.53","0.03","103.18","0.03","105.74","0.03","1214.1","0.6","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","1","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0466","0.042","","0.0543","0.0474","0.0469","","","","","","1.0761","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212236","11.2594","0.0004","26.5238","0.0009","16.2911","0.0006","90","","103.393","0.002","90","","4732.9","0.3","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C192 H224 Cl8 Cs4 Cu12 N16 O32 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.025","0.0205","","0.0298","0.0226","0.0223","","","","","","1.0968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212237","13.795","0.003","13.814","0.003","15.431","0.003","90","","104.92","0.03","90","","2841.5","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H32 Ca Cu N4 O11 -","- C25 H32 Ca Cu N4 O11 -","- C100 H128 Ca4 Cu4 N16 O44 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0275","0.0268","","","0.0717","0.0722","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212238","8.2295","0.0016","12.197","0.002","14.914","0.003","95.73","0.03","103.29","0.03","91.14","0.03","1448.2","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H36 Cl Cu N2 Na O10 -","- C26 H36 Cl Cu N2 Na O10 -","- C52 H72 Cl2 Cu2 N4 Na2 O20 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0305","0.0294","","","0.0792","0.0801","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212239","18.444","0.004","14.311","0.003","21.715","0.004","90","","95.94","0.03","90","","5701","2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C99 H125 Ba2 Cu4 I8 N8 O19.5 -","- C99 H124 Ba2 Cu4 I8 N8 O19.5 -","- C198 H248 Ba4 Cu8 I16 N16 O39 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0522","0.0511","","","0.1408","0.1422","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212240","14.248","0.003","17.705","0.004","9.7119","0.0019","90","","108.86","0.03","90","","2318.4","0.9","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H60 Cu2 F6 N5 O8 P -","- C48 H60 Cu2 F6 N5 O8 P -","- C96 H120 Cu4 F12 N10 O16 P2 -","2","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0253","0.0245","","","0.0661","0.0668","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212241","15.3209","0.0004","20.8764","0.0004","6.7682","0.0002","90","","90","","90","","2164.78","0.09","123","","123","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H28 Cu N2 O4 -","- C24 H28 Cu N2 O4 -","- C96 H112 Cu4 N8 O16 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0248","0.0229","","0.0311","0.024","0.0231","","","","","","0.9826","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212242","4.6837","0.0005","3.4226","0.0005","5.1288","0.0006","90","","99.54","0.01","90","","81.08","0.018","","","","","","","","","","","Tenorite - synthetic from Na2 C O3 flux at 1173 K for 20 h, slowly cooled","2","C 1 2/c 1","-C 2yc","15","","Copper Oxide","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Volanti, Diogo P.; Orlandi, Marcelo O.; Andrés, Juan; Longo, Elson","Efficient microwave-assisted hydrothermal synthesis of CuO sea urchin-like architectures via a mesoscale self-assembly","CrystEngComm","2010","12","6","1696","","10.1039/b922978g","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212243","15.6671","0.0002","15.6671","0.0002","12.6333","0.0002","90","","90","","90","","3100.94","0.07","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 Co N8 O3 -","- C12 H12 Co N8 O3 -","- C96 H96 Co8 N64 O24 -","8","0.5","","Lin, Qi-Pu; Zhang, Jian; Cao, Xin-Yi; Yao, Yuan-Gen; Li, Zhao-Ji; Zhang, Lei; Zhou, Zhang-Feng","Canted antiferromagnetic behaviours in isostructural Co(ii) and Ni(ii) frameworks with helical lvt topology","CrystEngComm","2010","12","10","2938","","10.1039/b923235d","","","0.71073","MoKα","","0.0459","0.0416","","","0.0899","0.0921","","","","","","1.003","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212244","15.547","0.001","15.547","0.001","12.4988","0.0013","90","","90","","90","","3021.1","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 N8 Ni O3 -","- C12 H12 N8 Ni O3 -","- C96 H96 N64 Ni8 O24 -","8","0.5","","Lin, Qi-Pu; Zhang, Jian; Cao, Xin-Yi; Yao, Yuan-Gen; Li, Zhao-Ji; Zhang, Lei; Zhou, Zhang-Feng","Canted antiferromagnetic behaviours in isostructural Co(ii) and Ni(ii) frameworks with helical lvt topology","CrystEngComm","2010","12","10","2938","","10.1039/b923235d","","","0.71073","MoKα","","0.0416","0.0392","","","0.0979","0.1","","","","","","1.007","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212246","11.9278","0.0007","9.3661","0.0007","11.4995","0.0008","90","","119.034","0.005","90","","1123.24","0.14","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.046","0.0381","","","0.1082","0.1134","","","","","","1.084","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212247","11.951","0.002","9.507","0.0019","11.672","0.002","90","","118.95","0.03","90","","1160.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.07","0.0522","","","0.1252","0.1356","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212248","11.9322","0.001","9.4337","0.0009","11.5728","0.0011","90","","119.001","0.007","90","","1139.3","0.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.0477","0.0455","","","0.121","0.1234","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212249","17.3784","0.0004","21.2929","0.0006","21.9656","0.0005","90","","90","","90","","8128.1","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H35.5 Cd2 N2 O12.75 -","- C43 H30.5 Cd2 N2 O12.75 -","- C344 H244 Cd16 N16 O102 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.0768","0.0507","","","0.1287","0.1445","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212250","9.7828","0.0009","12.1306","0.0012","17.092","0.002","105.588","0.002","99.624","0.002","100.178","0.002","1873","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H58 Cd2 N8 O12 -","- C96 H58 Cd2 N8 O12 -","- C96 H58 Cd2 N8 O12 -","1","0.5","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.088","0.0419","","","0.084","0.0955","","","","","","0.947","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212251","20.542","0.005","28.488","0.007","20.519","0.005","90","","99.776","0.005","90","","11833","5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 Cd2 N12 O8 -","- C64 H44 Cd2 N12 O8 -","- C512 H352 Cd16 N96 O64 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.1116","0.0857","","","0.2326","0.2555","","","","","","1.094","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212252","18.56","0.002","20.499","0.002","20.761","0.003","90","","90","","90","","7898.8","1.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cd N2 O11 -","- C42 H46 Cd N2 O11 -","- C336 H368 Cd8 N16 O88 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.081","0.0647","","","0.1482","0.1599","","","","","","1.078","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212253","28.256","0.006","14.188","0.003","23.568","0.005","90","","100.214","0.002","90","","9299","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H32.5 Mn3.5 N6.5 O25.5 -","- C42.5 H32.5 Mn3.5 N6.5 O25.5 -","- C340 H260 Mn28 N52 O204 -","8","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0663","0.0487","","","0.1276","0.145","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212254","13.287","0.002","11.6791","0.0018","16.141","0.003","90","","90.408","0.002","90","","2504.7","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Mn3 N8 O20 -","- C48 H36 Mn3 N8 O20 -","- C96 H72 Mn6 N16 O40 -","2","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0415","0.0347","","","0.0987","0.1042","","","","","","1.04","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212255","8.132","0.005","8.361","0.005","17.745","0.011","80.079","0.006","80.508","0.006","82.299","0.006","1165.3","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Mn3 N6 O24 -","- C42 H40 Mn3 N6 O24 -","- C42 H40 Mn3 N6 O24 -","1","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0328","0.028","","","0.0726","0.0762","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212256","11.1537","0.0011","11.1636","0.0011","18.4683","0.0018","83.616","0.001","74.846","0.001","67.302","0.001","2047.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Mn3 N5 O22 -","- C36 H34 Mn3 N5 O22 -","- C72 H68 Mn6 N10 O44 -","2","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0552","0.0422","","","0.1059","0.1159","","","","","","1.048","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212257","7.3062","0.0007","10.7744","0.0011","15.5261","0.0015","79.757","0.001","77.641","0.001","81.743","0.001","1167.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Mn3 N6 O20 -","- C44 H40 Mn3 N6 O20 -","- C44 H40 Mn3 N6 O20 -","1","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0341","0.0302","","","0.075","0.0781","","","","","","1.04","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212258","11.242","0.0014","14.367","0.0019","16.751","0.002","90","","109.518","0.002","90","","2550","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O12 P4 Zn3 -","- C12 H22 N4 O12 P4 Zn3 -","- C48 H88 N16 O48 P16 Zn12 -","4","1","","Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min","Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density","CrystEngComm","2010","12","5","1401","","10.1039/b923583c","","","0.71069","MoKα","","0.135","0.1023","","","0.3799","0.4019","","","","","","1.067","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212259","11.224","0.0015","14.354","0.0019","16.709","0.002","90","","109.33","0.002","90","","2540.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O12 P4 Zn3 -","- C12 H26 N4 O12 P4 Zn3 -","- C48 H104 N16 O48 P16 Zn12 -","4","1","","Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min","Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density","CrystEngComm","2010","12","5","1401","","10.1039/b923583c","","","0.71069","MoKα","","0.1113","0.0629","","","0.1753","0.1968","","","","","","1.082","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212260","19.1839","0.0008","9.7221","0.0004","22.3927","0.001","90","","99.843","0.01","90","","4114.9","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C184 H224 N16 O24 -","8","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","0.7749","synchrotron","","0.0471","0.0407","","","0.1055","0.1092","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212261","9.2383","0.0005","9.3034","0.0005","14.4329","0.0008","75.858","0.003","80.777","0.003","74.672","0.003","1154","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.5 H32 N2 O5.5 -","- C23.5 H32 N2 O5.5 -","- C47 H64 N4 O11 -","2","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.053","0.0444","","","0.1259","0.1338","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212262","9.3005","0.0004","9.7222","0.0005","14.423","0.0007","78.622","0.004","75.813","0.003","74.623","0.003","1206.84","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 N2 O5 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.0639","0.0497","","","0.1284","0.1356","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212263","9.3807","0.0004","14.829","0.0007","17.4244","0.0009","85.655","0.004","78.993","0.004","76.609","0.003","2313.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H34 N2 O4.5 -","- C24.5 H34 N2 O4.5 -","- C98 H136 N8 O18 -","4","2","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.0696","0.052","","","0.1372","0.1482","","","","","","1.048","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212264","9.991","0.002","22.751","0.005","7.1579","0.0016","90","","90","","90","","1627","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C72 H56 N16 O20 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0577","0.0427","","","0.1078","0.1168","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212265","30.724","0.015","7.369","0.004","20.92","0.01","90","","131.282","0.006","90","","3559","3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H14 N4 O6 -","- C19 H14 N4 O6 -","- C152 H112 N32 O48 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0873","0.0606","","","0.1063","0.1171","","","","","","1.088","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212266","10.686","0.002","7.0251","0.0016","23.755","0.006","90","","99.459","0.004","90","","1759","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C76 H56 N16 O28 -","4","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1106","0.0764","","","0.2141","0.239","","","","","","1.043","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212267","11.037","0.003","7.1184","0.0019","11.835","0.003","90","","108.271","0.004","90","","882.9","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N5 O5 -","- C19 H15 N5 O5 -","- C38 H30 N10 O10 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0706","0.0436","","","0.0705","0.0763","","","","","","1.001","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212268","11.449","0.005","7.804","0.003","38.548","0.015","90","","97.216","0.006","90","","3417","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N4 O6.5 -","- C18 H15 N4 O6.5 -","- C144 H120 N32 O52 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0821","0.0482","","","0.1145","0.1317","","","","","","1.025","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212269","9.4118","0.0018","7.0994","0.0014","26.666","0.005","90","","95.805","0.003","90","","1772.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C72 H64 N16 O24 -","4","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.062","0.045","","","0.1034","0.111","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212270","12.002","0.004","7.804","0.003","35.338","0.011","90","","92.773","0.006","90","","3306","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N16 O21 -","- C72 H58 N16 O21 -","- C144 H116 N32 O42 -","2","0.25","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1401","0.0641","","","0.1333","0.1649","","","","","","1.009","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212271","10.351","0.003","6.9394","0.0018","13.099","0.003","90","","108.018","0.004","90","","894.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C38 H28 N8 O14 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0497","0.0415","","","0.0857","0.0902","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212272","5.542","0.0017","12.465","0.004","16.069","0.005","90","","90","","90","","1110.1","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N4 O3 -","- C12 H8 N4 O3 -","- C48 H32 N16 O12 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1038","0.0547","","","0.1125","0.1261","","","","","","0.963","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212273","8.7594","0.0016","15.754","0.003","15.889","0.003","76.862","0.003","87.533","0.004","86.832","0.003","2130.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H57 N5 O2 -","- C45 H57 N5 O2 -","- C90 H114 N10 O4 -","2","1","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1948","0.0672","","","0.1518","0.2035","","","","","","0.918","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212274","9.2955","0.0018","13.604","0.003","18.883","0.004","80.997","0.003","88.164","0.003","81.838","0.003","2334.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H100 Cl4 Co N10 -","- C87 H100 Cl4 Co N10 -","- C87 H100 Cl4 Co N10 -","1","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1525","0.083","","","0.2374","0.2868","","","","","","1.005","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212275","9.3682","0.0018","13.489","0.003","19.188","0.004","98.737","0.003","91.191","0.004","97.732","0.004","2372.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H100 Cl2 Co N12 O6 -","- C87 H100 Cl2 Co N12 O6 -","- C87 H100 Cl2 Co N12 O6 -","1","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1192","0.0807","","","0.2086","0.2398","","","","","","0.994","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212276","23.382","0.003","22.002","0.003","21.936","0.003","90","","90","","90","","11285","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C43 H49 Cl5 Co2 N5 -","- C43 H49 Cl5 Co2 N5 -","- C344 H392 Cl40 Co16 N40 -","8","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1075","0.0677","","","0.1901","0.2101","","","","","","0.958","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212277","13.3784","0.0013","24.485","0.002","18.8723","0.0018","90","","100.633","0.002","90","","6075.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H104 Co4 N20 O24 -","- C90 H104 Co4 N20 O24 -","- C180 H208 Co8 N40 O48 -","2","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1141","0.058","","","0.1389","0.1561","","","","","","0.901","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212283","3.9802","0.0008","13.615","0.003","17.671","0.004","90","","93.72","0.03","90","","955.6","0.4","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 K3 O12 -","- C18 H9 K3 O12 -","- C36 H18 K6 O24 -","2","0.5","","Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min","CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)","CrystEngComm","2010","12","5","1481","","10.1039/b924218j","","","0.71073","MoKα","","0.1379","0.0685","","","0.1311","0.1953","","","","","","1.118","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212284","4.0727","0.0008","13.891","0.003","17.853","0.004","90","","93.81","0.03","90","","1007.8","0.4","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 O12 Rb3 -","- C18 H9 O12 Rb3.001 -","- C36 H18 O24 Rb6.002 -","2","0.5","","Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min","CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)","CrystEngComm","2010","12","5","1481","","10.1039/b924218j","","","0.71073","MoKα","","0.16","0.1196","","","0.2811","0.3088","","","","","","1.065","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212285","9.3402","0.001","25.842","0.003","20.09","0.002","90","","101.431","0.001","90","","4752.9","0.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N4 O14 Zn2 -","- C41 H36 N4 O14 Zn2 -","- C164 H144 N16 O56 Zn8 -","4","0.5","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A 4-connected 3D porous coordination polymer with a binodal 6284 net built on tetrahedral quadridentate and bidentate linkers","CrystEngComm","2010","12","5","1635","","10.1039/b924237f","","","0.71073","MoKα","","0.0544","0.0458","","","0.1059","0.108","","","","","","1.136","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212286","10.613","","11.272","","12.144","","73.51","","87.29","","70.39","","1310.38","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H49 Al Cu Mo6 N4 Na4 O51 -","- C12 H4 Al Cu Mo6 N4 Na4 O51 -","- C12 H4 Al Cu Mo6 N4 Na4 O51 -","1","0.5","","Li, Suzhi; Ma, Pengtao; Wang, Jingping; Guo, Yuanyuan; Niu, Haizhu; Zhao, Junwei; Niu, Jingyang","A 3D organic‒inorganic network constructed from an Anderson-type polyoxometalate anion, a copper complex and a tetrameric [Na4(H2O)14]4+ cluster,","CrystEngComm","2010","12","6","1718","","10.1039/b924394a","","","0.71073","MoKα","","0.0327","0.0297","","","0.0786","0.0806","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212287","12.8141","0.0017","10.2601","0.0014","18.756","0.003","90","","102.832","0.002","90","","2404.3","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","","- C22 H17 Br2 Cl3 O8 -","- C22 H17 Br2 Cl3 O8 -","- C88 H68 Br8 Cl12 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0301","0.0268","","","0.0651","0.0664","","","","","","1.028","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212288","12.8133","0.0015","10.2045","0.0012","18.814","0.002","90","","103.599","0.002","90","","2391","0.5","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","","- C24 H22 Br2 O9 -","- C24 H22 Br2 O9 -","- C96 H88 Br8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0422","0.034","","","0.0836","0.0879","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212289","12.8524","0.0011","10.2018","0.0008","18.525","0.0015","90","","102.87","0.001","90","","2367.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C22 H18 Br2 Cl2 O8 -","- C22 H18 Br2 Cl2 O8 -","- C88 H72 Br8 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0385","0.034","","","0.0865","0.089","","","","","","1.05","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212290","12.1747","0.0015","10.1533","0.0012","19.261","0.002","90","","103.231","0.002","90","","2317.7","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","","- C22 H19 Br2 N O10 -","- C22 H19 Br2 N O10 -","- C88 H76 Br8 N4 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0372","0.0327","","","0.0812","0.0839","","","","","","1.021","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212291","13.181","0.004","10.046","0.003","18.813","0.005","90","","102.436","0.004","90","","2432.7","1.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","","- C25 H24 Br2 O9 -","- C25 H24 Br2 O9 -","- C100 H96 Br8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0751","0.069","","","0.1833","0.1914","","","","","","1.082","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212292","13.1856","0.0016","10.2483","0.0013","18.966","0.002","90","","104.704","0.002","90","","2478.9","0.5","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","","- C25 H24 Br2 O10 -","- C25 H24 Br2 O10 -","- C100 H96 Br8 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0482","0.0363","","","0.0855","0.0912","","","","","","1.023","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212293","13.0322","0.0015","10.2499","0.0011","18.415","0.002","90","","103.579","0.002","90","","2391.1","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","","- C23 H22 Br2 O9 S -","- C23 H22 Br2 O9 S -","- C92 H88 Br8 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0528","0.0457","","","0.0946","0.0976","","","","","","1.164","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212294","12.1687","0.0008","10.0099","0.0007","20.3518","0.0014","90","","92.677","0.001","90","","2476.3","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate 1,2- dichloroethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate 1,2-dichloroethane solvate","","- C23 H20 Br2 Cl2 O8 -","- C23 H20 Br2 Cl2 O8 -","- C92 H80 Br8 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0476","0.0406","","","0.1063","0.1107","","","","","","1.065","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212295","12.9486","0.0009","10.2705","0.0007","18.0529","0.0012","90","","101.398","0.001","90","","2353.5","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","","- C22 H17 Cl5 O8 -","- C22 H17 Cl5 O8 -","- C88 H68 Cl20 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0413","0.0386","","","0.0884","0.0901","","","","","","1.087","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212296","12.751","0.002","10.221","0.0018","18.52","0.003","90","","103.209","0.003","90","","2349.8","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","","- C24 H22 Cl2 O9 -","- C24 H22 Cl2 O9 -","- C96 H88 Cl8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.044","0.0402","","","0.0976","0.1003","","","","","","1.079","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212297","12.8921","0.0011","10.1356","0.0009","18.0788","0.0016","90","","101.584","0.001","90","","2314.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C22 H18 Cl4 O8 -","- C22 H18 Cl4 O8 -","- C88 H72 Cl16 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.046","0.0433","","","0.1057","0.1076","","","","","","1.03","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212298","12.6835","0.0007","10.0712","0.0005","18.298","0.001","90","","103.1","0.001","90","","2276.5","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","","- C22 H19 Cl2 N O10 -","- C22 H19 Cl2 N O10 -","- C88 H76 Cl8 N4 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0318","0.0303","","","0.0798","0.0811","","","","","","1.048","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212299","12.908","0.003","10.135","0.002","18.299","0.004","90","","101.682","0.004","90","","2344.3","0.9","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","","- C25 H24 Cl2 O9 -","- C25 H24 Cl2 O9 -","- C100 H96 Cl8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.077","0.0605","","","0.124","0.1313","","","","","","1.103","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212300","13.047","0.003","10.141","0.003","18.678","0.005","90","","103.518","0.004","90","","2402.8","1.1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","","- C25 H24 Cl2 O10 -","- C25 H24 Cl2 O10 -","- C100 H96 Cl8 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0674","0.054","","","0.1203","0.1276","","","","","","1.055","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212301","12.9731","0.0013","10.2342","0.0011","18.0469","0.0019","90","","102.585","0.002","90","","2338.5","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","","- C23 H22 Cl2 O9 S -","- C23 H22 Cl2 O9 S -","- C92 H88 Cl8 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0565","0.0509","","","0.1139","0.1169","","","","","","1.148","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212302","12.093","0.002","9.9108","0.0017","20.26","0.003","90","","92.433","0.003","90","","2426","0.7","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate 1,2- dichloroethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate 1,2-dichloroethane solvate","","- C23 H20 Cl4 O8 -","- C23 H20 Cl4 O8 -","- C92 H80 Cl16 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.093","0.0716","","","0.1553","0.1685","","","","","","1.034","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212303","12.074","0.01","9.861","0.008","20.003","0.016","90","","94.894","0.013","90","","2373","3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetonitrile solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetonitrile solvate","","- C23 H19 Cl2 N O8 -","- C23 H19 Cl2 N O8 -","- C92 H76 Cl8 N4 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0575","0.0496","","","0.1236","0.1298","","","","","","1.067","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212304","11.6917","0.0018","9.6018","0.0015","21.103","0.003","90","","94.329","0.003","90","","2362.3","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p- xylene solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p-xylene solvate","","- C25 H21 Cl2 O8 -","- C25 H21 Cl2 O8 -","- C100 H84 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0434","0.0357","","","0.0818","0.0862","","","","","","1.046","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212305","32.22","0.03","9.584","0.008","21.386","0.019","90","","129.72","0.03","90","","5080","8","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate","","- C27 H22 Cl2 O8 -","- C27 H22 Cl2 O8 -","- C216 H176 Cl16 O64 -","8","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.179","0.1154","","","0.2338","0.2626","","","","","","1.115","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212306","12.962","0.002","10.1406","0.0017","18.391","0.003","90","","102.627","0.003","90","","2358.9","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C21.06 H16.12 Cl2.12 O8 -","- C21.06 H16.12 Cl2.12 O8 -","- C84.24 H64.48 Cl8.48 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0789","0.0551","","","0.141","0.1586","","","","","","1.034","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212307","9.7496","0.001","10.3079","0.0005","11.9451","0.0006","114.92","0.002","110.933","0.004","91.374","0.003","995.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","1","1","","Hazra, Arpan; Kanoo, Prakash; Mohapatra, Sudip; Mostafa, Golam; Maji, Tapas Kumar","A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties","CrystEngComm","2010","12","10","2775","","10.1039/b924511a","","","0.71073","MoKα","","0.0708","0.0493","","","0.0935","0.1028","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212308","6.7906","0.0012","7.3159","0.0004","15.8428","0.0014","86.297","0.006","78.924","0.011","72.713","0.006","737.49","0.16","293","","293","","","","","","","","The compound was used as received from Sigma-Aldrich","4","P -1","-P 1","2","","","","- C9 H31 N O9 -","- C9 H31 N O9 -","- C18 H62 N2 O18 -","2","1","","Fabbiani, Francesca P. A.; Levendis, Demetrius C.; Buth, Gernot; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Searching for novel crystal forms by in situ high-pressure crystallisation: the example of gabapentin heptahydrate","CrystEngComm","2010","12","8","2354","","10.1039/b924573a","","","0.72","synchrotron","","0.0528","0.0451","","0.131","0.1268","0.131","","","","","","0.9522","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212309","20.007","0.003","20.007","0.003","28.168","0.006","90","","90","","90","","11275","3","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C130 H93 N9 O25 Zn6 -","- C130 H93 N9 O25 Zn6 -","- C520 H372 N36 O100 Zn24 -","4","0.5","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.1165","0.0987","","","0.2316","0.2428","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212310","15.678","0.003","13.571","0.003","15.234","0.003","90","","109.27","0.03","90","","3059.7","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H100 N8 O34 Zn8 -","- C144 H100 N8 O34 Zn8 -","- C144 H100 N8 O34 Zn8 -","1","0.125","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.0417","0.034","","","0.0791","0.0836","","","","","","0.985","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212311","9.338","0.0013","6.393","0.0005","13.162","0.0018","90","","108.753","0.011","90","","744.03","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0667","0.0383","","","0.0938","0.1024","","","","","","0.957","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212312","5.0267","0.0009","11.2601","0.0012","22.199","0.004","90","","94.545","0.014","90","","1252.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1815","0.0491","","","0.1013","0.1398","","","","","","0.853","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212313","12.377","0.004","5.69","0.0012","12.515","0.004","90","","91.27","0.03","90","","881.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C36 H32 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.2063","0.1199","","","0.3058","0.4126","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212314","28.38","0.006","5.0073","0.0006","20.811","0.004","90","","106.952","0.016","90","","2828.9","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1901","0.1072","","","0.308","0.3591","","","","","","1.034","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212315","9.5863","0.0011","9.2632","0.0007","11.9253","0.0012","90","","95.96","0.009","90","","1053.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O S -","- C9 H14 N2 O S -","- C36 H56 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0675","0.0501","","","0.1373","0.1487","","","","","","1.129","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212316","21.947","0.0019","8.5282","0.0008","11.4242","0.0009","90","","115.115","0.006","90","","1936.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C80 H80 N16 O8 S8 -","8","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0493","0.0411","","","0.1249","0.1298","","","","","","1.383","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212317","9.0344","0.0011","17.331","0.003","9.5981","0.0011","90","","101.028","0.01","90","","1475.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1185","0.0733","","","0.1926","0.2366","","","","","","1.043","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212318","20.575","0.002","5.5363","0.0005","18.7917","0.0019","90","","91.676","0.002","90","","2139.6","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Nakano, Yoko; Harada, Takunori; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Control of solid-state chiral optical properties of a chiral supramolecular organic fluorophore consisting of 1-pyrenesulfonic acid and chiral amine molecules","CrystEngComm","2010","12","6","1688","","10.1039/b924760m","","","0.71073","MoKα","","0.0596","0.049","","","0.1025","0.1078","","","","","","1.023","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212319","13.079","0.005","14.156","0.004","14.444","0.004","107.729","0.005","98.846","0.004","116.684","0.006","2139.2","1.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H68 Cl3 N5 O13 -","- C33 H48 Cl3 N5 O13 -","- C66 H96 Cl6 N10 O26 -","2","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1004","0.0747","","","0.1607","0.2286","","","","","","1.154","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212320","15.007","0.005","14.443","0.003","21.342","0.006","90","","95.48","0.005","90","","4605","2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H57 Cl4 N5 O23 S0 -","- C33 H49 Cl4 N5 O23 -","- C132 H196 Cl16 N20 O92 -","4","2","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0711","","","0.1806","0.2326","","","","","","1.088","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212321","13.327","0.005","12.267","0.003","28.121","0.006","90","","103.374","0.006","90","","4473","2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl4 N5 O23 -","- C33 H57 Cl4 N5 O23 -","- C132 H228 Cl16 N20 O92 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.0958","0.0607","","","0.1585","0.1972","","","","","","1.083","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212322","9.465","0.004","26.756","0.006","16.27","0.005","90","","93.333","0.006","90","","4113","2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl2 N5 O13 S -","- C33 H61 Cl2 N5 O13 S -","- C132 H244 Cl8 N20 O52 S4 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.0945","0.0526","","","0.1522","0.2054","","","","","","1.115","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212323","9.389","0.002","24.772","0.004","16.532","0.003","90","","97.961","0.004","90","","3808","1.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Cl N8 O13 -","- C33 H49 Cl N8 O13 -","- C132 H196 Cl4 N32 O52 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0754","","","0.1757","0.2233","","","","","","1.112","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212324","9.733","0.002","24.969","0.004","16.288","0.003","90","","96.989","0.006","90","","3929","1.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Br N8 O13 -","- C33 H49 Br N8 O13 -","- C132 H196 Br4 N32 O52 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1093","0.0714","","","0.1835","0.2329","","","","","","1.073","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212325","8.529","0.0009","8.6076","0.0005","10.7849","0.0011","72.602","0.006","75.267","0.005","79.158","0.006","725.29","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 N4 O18 U2 -","- C20 H34 N4 O18 U2 -","- C20 H34 N4 O18 U2 -","1","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0363","0.0294","","","0.0703","0.0725","","","","","","1.028","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212326","20.3512","0.0013","12.8168","0.0006","10.9421","0.0006","90","","103.303","0.004","90","","2777.5","0.3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H34 Cl N5 O14 U -","- C18 H34 Cl N5 O14 U -","- C72 H136 Cl4 N20 O56 U4 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0412","0.0326","","","0.0717","0.0738","","","","","","1.048","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212327","21.3207","0.0011","16.657","0.0009","10.1919","0.0004","90","","97.853","0.003","90","","3585.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N4 O17 U -","- C18 H32 N4 O17 U -","- C72 H128 N16 O68 U4 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0481","0.0391","","","0.1032","0.1062","","","","","","1.081","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212328","6.699","0.0003","6.842","0.0002","16.354","0.001","90","","96.514","0.003","90","","744.74","0.06","293","2","293","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","guanylurea hydrogen phosphite","","","- C2 H9 N4 O4 P -","- C2 H9 N4 O4 P -","- C8 H36 N16 O16 P4 -","4","1","","Fridrichová, Michaela; Němec, Ivan; Císařová, Ivana; Němec, Petr","Guanylurea(1+) hydrogen phosphite: a novel promising phase-matchable material for second harmonic generation","CrystEngComm","2010","12","7","2054","","10.1039/b924973g","","","0.71073","MoKα","","0.0301","0.0276","","","0.066","0.0679","","","","","","1.091","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212333","3.703","0.004","14.572","0.017","10.573","0.013","90","","96.34","0.019","90","","567","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1.2.3.5-Tetrafluorobenzene","1.2.3.5-Tetrafluorobenzene","","- C6 H2 F4 -","- C6 H2 F4 -","- C24 H8 F16 -","4","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","C‒H⋯F‒C hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited","CrystEngComm","2010","12","7","2079","","10.1039/b925082d","","","0.71073","MoKα","","0.1133","0.0671","","","0.1502","0.1767","","","","","","0.976","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212334","15.057","0.004","9.896","0.002","16.909","0.004","90","","105.425","0.003","90","","2428.8","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Co N4 O4 -","- C26 H28 Co N4 O4 -","- C104 H112 Co4 N16 O16 -","4","1","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.06","0.0391","","","0.0834","0.0914","","","","","","1.022","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212335","5.6877","0.001","10.5913","0.0018","12.901","0.002","87.32","0.003","79.649","0.003","81.61","0.003","756.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O8 -","- C26 H28 Co N4 O8 -","- C26 H28 Co N4 O8 -","1","0.5","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.0611","0.0563","","","0.1817","0.1863","","","","","","1.093","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212336","33.323","0.002","9.3186","0.0006","37.814","0.003","90","","106.85","0.001","90","","11238","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H75 Cl Co N8 O21 -","- C42 H49 Cl Co N8 O9.5 -","- C336 H392 Cl8 Co8 N64 O76 -","8","1","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.1321","0.1038","","","0.2909","0.3048","","","","","","1.1","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212340","5.8478","0.0003","9.108","0.0005","11.0349","0.0006","91.713","0.003","93.054","0.003","97.672","0.003","581.24","0.05","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","1","1","","Lv, Yao-Kang; Zhan, Cai-Hong; Feng, Yun-Long","A chiral manganese‒potassium heterometallic MOF with an unusual (3,7)-connected network","CrystEngComm","2010","12","10","3052","","10.1039/b925546j","","","0.71073","MoKα","","0.151","0.0278","","","0.0419","0.0684","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212341","13.3581","0.0019","18.44","0.003","7.0797","0.001","90","","90.043","0.002","90","","1743.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N3 O8 S -","- C15 H17 Cu N3 O8 S -","- C60 H68 Cu4 N12 O32 S4 -","4","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71073","MoKα","","0.0476","0.0382","","","0.0964","0.1006","","","","","","1.04","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212342","15.369","0.005","10.394","0.005","14.085","0.005","90","0.005","111.914","0.005","90","0.005","2087.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu N3 O6 -","- C23 H17 Cu N3 O6 -","- C92 H68 Cu4 N12 O24 -","4","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71069","MoKα","","0.0723","0.0433","","","0.095","0.1063","","","","","","0.989","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212343","10.62","0.005","13.189","0.005","16.688","0.005","71.418","0.005","78.686","0.005","83.537","0.005","2169.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O19 -","- C38 H50 Cu2 N6 O19 -","- C76 H100 Cu4 N12 O38 -","2","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71069","MoKα","","0.0643","0.0498","","","0.1232","0.1332","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212344","5.905","0.002","7.947","0.004","16.797","0.009","90","","97.611","0.015","90","","781.3","0.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0622","0.0454","","","0.0818","0.0874","","","","","","1.076","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212345","8.5761","0.0011","9.754","0.0011","10.788","0.0014","65.345","0.003","73.471","0.003","72.509","0.003","768.95","0.17","140","2","140","2","","","","","","","","5","P -1","-P 1","2","(R*)-3-Ethoxycarbonyl-2-phenyl-3,5-dihydro-4,1-benzothiazepine","(R*)-3-Ethoxycarbonyl-2-phenyl-3,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.56089","AgKα","","0.0307","0.0294","","","0.0742","0.0751","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212346","7.7574","0.0001","11.3316","0.0002","17.9221","0.0003","90","","90","","90","","1575.42","0.04","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.0275","0.027","","","0.0697","0.0699","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212347","12.955","0.0004","7.1696","0.0002","18.6157","0.0008","90","","109.082","0.002","90","","1634.06","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(R*)-3-Ethoxycarbonyl-2-(4-chlorophenyl)-3,5-dihydro-4,1- benzothiazepine","(R*)-3-Ethoxycarbonyl-2-(4-chlorophenyl)-3,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0634","0.0444","","","0.0848","0.0919","","","","","","1.045","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212348","8.005","0.004","10.923","0.003","18.797","0.007","90","","90","","90","","1643.6","1.1","99","2","99","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0517","0.0496","","","0.1148","0.1162","","","","","","1.257","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212349","12.699","0.002","7.2028","0.0009","18.542","0.003","90","","108.578","0.006","90","","1607.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(R*)-3-Ethoxycarbonyl-2-(4-methylphenyl)-3,5-dihydro-4,1- benzothiazepine","(R*)-3-Ethoxycarbonyl-2-(4-methylphenyl)-3,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0352","0.0313","","","0.075","0.0769","","","","","","1.096","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212350","15.2508","0.0004","9.1719","0.0003","14.8923","0.0004","90","","115.92","0.002","90","","1873.57","0.1","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-Ethoxycarbonyl-3-(4-chlorophenyl)-4,5-dihydro-7,8-dimethoxy- 1,4-benzothiazepine","2-Ethoxycarbonyl-3-(4-chlorophenyl)- 4,5-dihydro-7,8-dimethoxy-1,4-benzothiazepine","","- C20 H20 Cl N O4 S -","- C20 H20 Cl N O4 S -","- C80 H80 Cl4 N4 O16 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.1311","0.0729","","","0.169","0.2473","","","","","","1.193","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212351","11.741","0.0006","11.741","0.0006","13.3199","0.0013","90","","90","","120","","1590.16","0.19","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C2.5 H1.5 Mn0.75 N2 O2 -","- C2.5 H1.5 Mn0.75 N2 O2 -","- C30 H18 Mn9 N24 O24 -","12","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Yang, Ching-Chun; Wang, Chih-Chieh","Synthesis, structure and hydrogen adsorption of a novel porous metal‒organic framework, Mn9(btt)2(HCOO)12·0.7DMF·0.9H2O, where btt = 1,3,5-benzenetristetrazolate","CrystEngComm","2010","12","10","3033","","10.1039/b925769a","","","0.71073","MoKα","","0.0524","0.049","","","0.1004","0.1019","","","","","","1.201","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212352","27.353","0.004","17.844","0.003","10.6753","0.0017","90","","90","","90","","5210.5","1.4","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H46 Cu2 N2 O16 -","- C41 H46 Cu2 N2 O16 -","- C164 H184 Cu8 N8 O64 -","4","0.5","","Liang, Li-Li; Zhang, Jun; Ren, Shi-Bin; Ge, Gen-Wu; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Rational synthesis of a microporous metal‒organic framework with PtS topology using a semi-rigid tetrahedral linker","CrystEngComm","2010","12","7","2008","","10.1039/b925903a","","","0.71073","MoKα","","0.0578","0.0463","","","0.1144","0.1185","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212353","7.9185","0.0019","9.3721","0.0017","9.958","0.002","66.366","0.011","89.136","0.018","87.928","0.017","676.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N8 Na2 Ni O6 -","- C20 H28 N8 Na2 Ni O6 -","- C20 H28 N8 Na2 Ni O6 -","1","0.5","","Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin","Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide","CrystEngComm","2010","12","5","1610","","10.1039/b925912k","","","0.7107","MoKα","","0.0606","0.0464","","","0.1068","0.1181","","","","","","1.078","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7212354","22.33","0.004","10.9143","0.0015","17.122","0.003","90","","116.89","0.004","90","","3721.7","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N4 Na Ni O4 -","- C14 H17 N4 Na Ni O4 -","- C112 H136 N32 Na8 Ni8 O32 -","8","1","","Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin","Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide","CrystEngComm","2010","12","5","1610","","10.1039/b925912k","","","0.7107","MoKα","","0.0582","0.0458","","","0.0926","0.0982","","","","","","1.112","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212357","9.0281","0.0004","9.0281","0.0004","24.638","0.0017","90","","90","","90","","2008.16","0.19","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C42 H54 N6 Ni O8 S -","- C42 H54 N6 Ni O8 S -","- C84 H108 N12 Ni2 O16 S2 -","2","0.25","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0815","0.067","","","0.1566","0.1625","","","","","","1.039","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212358","8.9069","0.001","13.303","0.0015","14.6187","0.0017","81.002","0.002","88.549","0.002","80.563","0.002","1687.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Hg I4 N6 Ni -","- C30 H22 Hg I4 N6 Ni -","- C60 H44 Hg2 I8 N12 Ni2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.032","0.0263","","","0.0563","0.058","","","","","","1.07","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212359","8.8394","0.0007","13.6356","0.001","13.7228","0.001","83.93","0.002","76.683","0.003","78.476","0.003","1574","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 N6 Ni O8.5 S -","- C33 H32 N6 Ni O8.5 S -","- C66 H64 N12 Ni2 O17 S2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0353","0.0337","","","0.1013","0.1028","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212360","10.5753","0.0008","22.7664","0.0017","16.4343","0.0012","90","","94.515","0.002","90","","3944.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Co N6 O13 S -","- C36 H47 Co N6 O13 S -","- C144 H188 Co4 N24 O52 S4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.1277","0.0522","","","0.0692","0.0772","","","","","","1.009","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212361","19.6431","0.0005","20.4335","0.0005","17.5714","0.0004","90","","96.217","0.003","90","","7011.3","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B2 Co F8 N6 O6.5 -","- C30 H21 B2 Co F8 N6 O6.5 -","- C240 H168 B16 Co8 F64 N48 O52 -","8","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.1151","0.072","","","0.1901","0.2046","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212366","7.174","0.002","12.459","0.003","35.802","0.004","90","","90","","90","","3200","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-(DL)-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H34 N4 O13 -","- C132 H136 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0864","0.08","","","0.2101","0.2146","","","","","","1.092","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212367","12.559","0.002","7.069","0.002","35.388","0.004","90","","92.13","0.03","90","","3139.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.055","0.0405","","","0.0803","0.0837","","","","","","1.003","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212368","17.561","0.004","12.479","0.003","23.694","0.004","90","","101.91","0.03","90","","5081","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","","- C34.67 H46 N4 O13.33 -","- C34.6667 H46 N4 O13.3333 -","- C208 H276 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.079","0.0587","","","0.1267","0.1344","","","","","","1.061","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212369","7.745","0.002","12.322","0.002","35.716","0.004","90","","90","","90","","3408.5","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-(D!0.85$L!0.15$)-serinate methanol disolvate","brucinium N-(4-nitrobenzoyl)-(D~0.85~L~0.15~)-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0515","0.0382","","","0.0868","0.0906","","","","","","0.984","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212370","7.706","0.002","12.31","0.003","35.644","0.005","90","","90","","90","","3381.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1481","0.0713","","","0.1624","0.2392","","","","","","0.999","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212371","10.494","0.002","13.966","0.002","26.751","0.003","90","","90","","90","","3920.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate methanol tetrasolvate","","- C37 H52 N4 O14 -","- C37 H52 N4 O14 -","- C148 H208 N16 O56 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1372","0.0768","","","0.2104","0.2285","","","","","","1.007","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212372","7.85","0.002","12.477","0.002","33.105","0.004","90","","92.58","0.03","90","","3239.2","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate 3.25-hydrate","","- C33 H42.5 N4 O13.25 -","- C33 H42.5 N4 O13.25 -","- C132 H170 N16 O53 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1103","0.0467","","","0.0828","0.0964","","","","","","0.895","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212373","7.371","0.003","12.151","0.004","19.098","0.005","90","","91.31","0.03","90","","1710.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H46 N4 O14.5 -","- C33 H40.832 N4 O14.5 -","- C66 H81.664 N8 O29 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1519","0.0904","","","0.2477","0.2762","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212374","7.996","0.003","33.138","0.005","12.679","0.003","90","","93.59","0.03","90","","3353","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-L-serinate tetrahydrate","","- C33 H44 N4 O14 -","- C33 H41.9185 N4 O14.0415 -","- C132 H167.674 N16 O56.166 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0725","0.0587","","","0.1493","0.1566","","","","","","1.046","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212375","17.499","0.004","12.426","0.004","23.627","0.005","90","","102.14","0.03","90","","5023","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","","- C33.44 H43.54 N4 O13.33 -","- C33.4453 H35 N4 O13.3333 -","- C200.672 H210 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.2349","0.1028","","","0.1803","0.2203","","","","","","1.004","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212376","9.332","0.002","12.953","0.003","26.793","0.005","90","","90","","90","","3238.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H42 N4 O11 -","- C140 H168 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0476","0.0416","","","0.1014","0.1038","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212377","9.641","0.002","10.308","0.002","33.653","0.004","90","","90","","90","","3344.4","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H36 N4 O11 -","- C140 H144 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0561","0.0397","","","0.098","0.1095","","","","","","1.037","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212378","11.2635","0.0005","9.8212","0.0005","10.1458","0.0003","90","","102.981","0.002","90","","1093.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 F3 Ga N2 O3 P -","- C6 H17 F3 Ga N2 O3 P -","- C24 H68 F12 Ga4 N8 O12 P4 -","4","1","","Huang, Liangliang; Song, Tianyou; Zhang, Lirong; Chen, Yanli; Jiang, Jinhua; Xu, Jianing; Wang, Li","Synthesis, crystal structure and characterization of a new layered gallium phosphite Ga(HPO3)F3·(trans-C6N2H16) with left- and right-handed helical chains","CrystEngComm","2010","12","7","2198","","10.1039/b926096j","","","0.71073","MoKα","","0.0386","0.0289","","","0.0743","0.0788","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212379","9.9151","0.0001","14.063","0.0002","14.5961","0.0002","73.414","0.001","81.794","0.001","82.517","0.001","1921.96","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(B1),(B2):(B3),(B4)-Bis(ethylene)-(3'E,8E)-3'-(2-(B1)oxy-3- methoxybenzylidene)-8-(2-(B2)oxy-3-methoxybenzylidene)-3-(2-(B3)oxy-3- methoxyphenyl)-4-(2-(B4)oxy-3-methoxyphenyl)-3,4,5,6,7,8- hexahydrospiro(chromene-2,1'-cyclohexan)-2'-one","[B1],[B2]:[B3],[B4]-Bis(ethylene)-(3'E,8E)-3'-(2-[B1]oxy-3-methoxybenzylidene)- 8-(2-[B2]oxy-3-methoxybenzylidene)-3-(2-[B3]oxy-3-methoxyphenyl)-4-(2-[B4]oxy- 3-methoxyphenyl)-3,4,5,6,7,8-hexahydrospiro[chromene-2,1'-cyclohexan]-2'-one","","- C48 H48 O10 -","- C48 H48 O10 -","- C96 H96 O20 -","2","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0615","0.0415","","","0.0898","0.0973","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212380","15.7123","0.0002","17.7118","0.0003","8.1342","0.0005","90","","90","","90","","2263.69","0.15","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29- dimethyl-5,8,20,23-tetraoxa-tricyclo(25.3.1.1(12,16))dotriaconta- 1,3,9,11,16,18,24,26-octaene-31,32-dione chloroform solvate","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29-dimethyl-5,8,20,23- tetraoxa-tricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,26-octaene- 31,32-dione chloroform solvate","","- C24 H23 Cl3 O3 -","- C24 H23 Cl3 O3 -","- C96 H92 Cl12 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0688","0.0414","","","0.0757","0.0841","","","","","","1.021","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212381","15.2347","0.0005","9.1731","0.0003","16.4115","0.0007","90","","91.89","0.03","90","","2292.25","0.15","298","2","298","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","(1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24- tetraoxa-tricyclo(26.3.1.1(12,16))tritriaconta-1,3,9,11,16,18,25,27- octaene-32,33-dione chloroform solvate","(1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24-tetraoxa- tricyclo[26.3.1.1(12,16)]tritriaconta-1,3,9,11,16,18,25,27-octaene-32,33-dione chloroform solvate","","- C23.5 H22 Cl3 O3 -","- C23.5 H22 Cl3.01 O3 -","- C94 H88 Cl12.04 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.3581","0.1515","","","0.4033","0.4895","","","","","","1.193","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212383","7.8142","0.0013","15.916","0.003","16.116","0.003","90","","90","","90","","2004.4","0.6","123.1","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0417","","","","0.1021","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212384","7.3882","0.0009","12.1092","0.0016","16.307","0.002","90","","90","","90","","1458.9","0.3","123.1","","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0299","","","","0.0799","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212402","26.2828","0.0019","13.503","0.0009","21.8199","0.0016","90","","106.818","0.004","90","","7412.6","0.9","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75.8 H63.2 Br3 Mn3 N9 O15 -","- C75.8 H63.2 Br3 Mn3 N9 O15 -","- C303.2 H252.8 Br12 Mn12 N36 O60 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.1143","0.0444","","0.0769","0.0465","0.0465","","","","","","1.1229","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212403","26.0368","0.0008","15.0774","0.0005","8.0056","0.0003","90","","107.238","0.002","90","","3001.57","0.18","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Br N3 O8 Zn2 -","- C29 H26 Br N3 O8 Zn2 -","- C116 H104 Br4 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.0476","0.026","","0.0441","0.0285","0.0285","","","","","","1.0291","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212404","8.1338","0.0004","14.902","0.0007","25.27","0.001","90","","90.457","0.003","90","","3062.9","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O8 S Zn2 -","- C30 H29 N3 O8 S Zn2 -","- C120 H116 N12 O32 S4 Zn8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.0861","0.0389","","0.1174","0.0406","0.0406","","","","","","1.1055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212405","7.8681","0.0016","26.63","0.005","13.461","0.003","90","","100.53","0.03","90","","2773","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 I4 N3 Zn -","- C23 H21 I4 N3 Zn -","- C92 H84 I16 N12 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0679","0.0688","","","","","","1.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212406","7.9794","0.0005","16.857","0.0013","23.6586","0.0015","90","","95.413","0.005","90","","3168.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 I4 N4 Zn -","- C27 H28 I4 N4 Zn -","- C108 H112 I16 N16 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0346","0.0341","","","0.084","0.0843","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212407","8.1857","0.0016","19.653","0.004","13.625","0.003","90","","100.45","0.03","90","","2155.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O4 Zn -","- C25 H21 N3 O4 Zn -","- C100 H84 N12 O16 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0268","0.0264","","","0.0698","0.0701","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212408","26.1802","0.0006","15.2942","0.0006","8.0478","0.0002","90","","107.449","0.002","90","","3074.1","0.16","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.3 H27.6 Cl0.6 N3 O8 Zn2 -","- C29.3 H27.6 Cl0.6 N3 O8 Zn2 -","- C117.2 H110.4 Cl2.4 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0489","0.0343","","0.0566","0.0323","0.03","","","","","","1.0449","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212409","24.3822","0.0019","12.6226","0.001","10.0392","0.0008","90","","95.283","0.002","90","","3076.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cu2 N2 O8 -","- C33 H30 Cu2 N2 O8 -","- C132 H120 Cu8 N8 O32 -","4","1","","Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.","Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands","CrystEngComm","2010","12","8","2374","","10.1039/b926914b","","","0.71073","MoKα","","0.0577","0.0417","","","0.0981","0.1042","","","","","","1.059","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212410","9.8148","0.0012","10.9124","0.0014","14.4129","0.0016","96.247","0.004","106.864","0.002","109.411","0.002","1356.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cu2 N2 O8 -","- C28 H29 Cu2 N2 O8 -","- C56 H58 Cu4 N4 O16 -","2","1","","Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.","Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands","CrystEngComm","2010","12","8","2374","","10.1039/b926914b","","","0.71073","MoKα","","0.0314","0.0259","","","0.0649","0.0678","","","","","","1.045","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212411","10.3429","0.0005","27.917","0.001","18.849","0.001","90","","101.261","0.005","90","","5337.7","0.4","120","1","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C178 H70 Cl4 N8 -","- C178 H70 Cl4 N8 -","- C356 H140 Cl8 N16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)","CrystEngComm","2010","12","11","3542","","10.1039/b927130a","","","0.7107","MoKα","","0.066","0.0475","","","0.113","0.12","","","","","","1.07","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212412","16.919","0.001","17.141","0.001","18.257","0.002","90","","110.19","0.01","90","","4969.3","0.8","100","1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C172 H56 Cl4 N8 -","- C172.005 H56.0032 Cl4.0016 N8 -","- C344.01 H112.006 Cl8.0032 N16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)","CrystEngComm","2010","12","11","3542","","10.1039/b927130a","","","0.71073","MoKα","","0.0586","0.0458","","","0.1199","0.1266","","","","","","1.084","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212413","8.9751","0.0003","24.4278","0.0006","12.0085","0.0003","90","","107.797","0.003","90","","2506.78","0.13","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H42 Co2 N4 O19 -","- C30 H16 Co2 N4 O19.06 -","- C60 H32 Co4 N8 O38.12 -","2","0.25","","Hao, Hong-Qing; Lin, Zhuo-Jia; Hu, Sheng; Liu, Wen-Ting; Zheng, Yan-Zhen; Tong, Ming-Liang","Nanoporous metal‒organic framework comprising of 1D cobalt oxalate chains and flexible ligands exhibiting both dynamic gas adsorption and antiferromagnetic chain behaviours","CrystEngComm","2010","12","7","2225","","10.1039/b927200c","","","1.54178","CuKα","","0.1101","0.0925","","","0.2354","0.2636","","","","","","1.074","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212414","8.5597","0.0003","9.3106","0.0002","15.2765","0.0004","100.454","0.002","97.874","0.001","109.096","0.001","1105.84","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0807","0.0566","","","0.1521","0.1695","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212415","10.7498","0.0002","16.8606","0.0003","24.8963","0.0006","90","","99.305","0.001","90","","4453.03","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cu N4 O2 -","- C27 H22 Cu N4 O2 -","- C216 H176 Cu8 N32 O16 -","8","2","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0584","0.0402","","","0.0978","0.107","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212416","10.1522","0.0002","11.1044","0.0002","20.8685","0.0004","84.771","0.001","86.217","0.001","67.198","0.001","2158.51","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 Co N6 O7 -","- C48 H49 Co N6 O7 -","- C96 H98 Co2 N12 O14 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0782","0.0581","","","0.1508","0.1643","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212417","13.7544","0.0003","14.2777","0.0003","14.5027","0.0006","100.014","0.001","92.705","0.001","117.282","0.001","2466.34","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H48 N8 Zn -","- C62 H48 N8 Zn -","- C124 H96 N16 Zn2 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0464","0.0363","","","0.0849","0.0906","","","","","","1.023","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212418","9.4224","0.0003","14.623","0.0004","24.5401","0.0007","90","","92.226","0.001","90","","3378.68","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cu N8 -","- C44 H30 Cu N8 -","- C176 H120 Cu4 N32 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0695","0.0511","","","0.124","0.133","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212419","12.724","0.0006","14.9607","0.0007","9.1463","0.0004","90","","109.72","0.002","90","","1638.98","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 N8 Ni -","- C44 H30 N8 Ni -","- C88 H60 N16 Ni2 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0717","0.0601","","","0.193","0.2059","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212420","5.3769","0.0004","11.3121","0.0008","16.9006","0.0011","101.325","0.003","96.441","0.003","103.112","0.003","968.36","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(nicotinamide).(citric acid)","bis(nicotinamide).(citric acid)","","- C18 H20 N4 O9 -","- C18 H20 N4 O9 -","- C36 H40 N8 O18 -","2","1","","Lemmerer, Andreas; Bernstein, Joel","The co-crystal of two GRAS substances: (citric acid)·(nicotinamide). Formation of four hydrogen bonding heterosynthons in one co-crystal","CrystEngComm","2010","12","7","2029","","10.1039/b927422g","","","0.71073","MoKα","","0.0791","0.0428","","","0.1086","0.1261","","","","","","1.034","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212421","9.288","0.002","14.508","0.003","14.752","0.003","108.497","0.004","101.088","0.004","91.485","0.004","1841.9","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 N4 O20.5 -","- C34 H24 N4 O20.5 -","- C68 H48 N8 O41 -","2","1","","Yang, Yong; Xue, Min; Chen, Chuan-Feng","Nanotoroidal tubule assembled from a functionalized oxacalix[4]arene","CrystEngComm","2010","12","11","3502","","10.1039/b927446d","","","0.71073","MoKα","","0.1491","0.069","","","0.1694","0.2146","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212422","29.812","0.006","9.6688","0.0019","18.052","0.004","90","","90","","90","","5203.4","1.9","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C27 H28 N2 O6 Zn -","- C27 H28 N2 O6 Zn -","- C216 H224 N16 O48 Zn8 -","8","","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0659","0.0412","","","0.0746","0.0828","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212423","11.703","0.002","18.55","0.004","11.954","0.002","90","","99.55","0.03","90","","2559.1","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O4 Zn -","- C29 H28 N2 O4 Zn -","- C116 H112 N8 O16 Zn4 -","4","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1214","0.0521","","","0.1143","0.1844","","","","","","1.132","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212424","12.03","0.002","13.949","0.003","12.384","0.003","90","","91.3","0.03","90","","2077.6","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 N4 O10 Zn2 -","- C42 H40 N4 O10 Zn2 -","- C84 H80 N8 O20 Zn4 -","2","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1234","0.0728","","","0.1771","0.2011","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212425","10.504","0.002","15.411","0.003","20.264","0.004","90","","90","","90","","3280.3","1.1","293","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H14 N2 O4 Zn -","- C17 H14 N2 O4 Zn -","- C136 H112 N16 O32 Zn8 -","8","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0822","0.0416","","","0.0698","0.0886","","","","","","1.068","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212426","12.283","0.003","13.386","0.003","13.931","0.003","102.14","0.03","101.47","0.03","95.13","0.03","2173.9","1","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H35.5 Mn3 N2.5 O14.5 -","- C43.5 H32 Mn3 N2.5 O14.5 -","- C87 H64 Mn6 N5 O29 -","2","1","","Jeong, Sehyun; Choi, Jungwook; Park, Mira; Oh, Minhak; Moon, Dohyun; Lah, Myoung Soo","A microporous metal‒organic framework constructed from a 1D column made of linear trinuclear manganese secondary building units","CrystEngComm","2010","12","7","2179","","10.1039/b927590h","","","0.8","synchrotron","","0.0592","0.0475","","","0.1295","0.1354","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212427","12.8954","0.001","12.1734","0.0009","22.9113","0.0017","90","","96.499","0.001","90","","3573.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ag4 N8 O14 S2 -","- C26 H32 Ag4 N8 O14 S2 -","- C104 H128 Ag16 N32 O56 S8 -","4","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.1099","0.105","","","0.2686","0.2709","","","","","","1.189","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212428","12.3001","0.001","11.1003","0.0009","43.003","0.004","90","","90","","90","","5871.4","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Ag3 N9 O12 S -","- C19 H28 Ag3 N9 O12 S -","- C152 H224 Ag24 N72 O96 S8 -","8","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.0503","0.0364","","","0.092","0.1014","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212429","17.116","0.0008","33.9351","0.0016","8.3694","0.0004","90","","95.924","0.001","90","","4835.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H68 Ag6 La4 N16 O50 -","- C74 H68 Ag6 La4 N16 O50 -","- C148 H136 Ag12 La8 N32 O100 -","2","0.5","","Li, Zhao-Yang; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","Novel three-dimensional Ln‒Ag 4d‒4f heteropentametallic helix-based microporous metal‒organic framework with unprecedented (3,4,5,6)-connected topology constructed from isonicotinate ligand","CrystEngComm","2010","12","7","2014","","10.1039/c000058b","","","0.71073","MoKα","","0.0554","0.0366","","","0.0717","0.0794","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212431","5.6004","0.0003","13.8743","0.0007","15.1686","0.0009","93.515","0.002","90.117","0.002","93.332","0.003","1174.4","0.11","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Br S -","- C13 H11 Br S -","- C52 H44 Br4 S4 -","4","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.1112","0.0786","","","0.2028","0.2224","","","","","","1.058","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212432","30.458","0.003","5.4558","0.0006","8.0849","0.0005","90","","90.494","0.007","90","","1343.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0866","0.04","","","0.0876","0.1069","","","","","","1.014","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212433","8.1016","0.0003","5.30912","0.00018","16.8806","0.0005","90","","97.057","0.003","90","","720.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0363","0.0348","","","0.0957","0.0977","","","","","","1.084","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212434","7.8617","0.0002","22.6828","0.0006","8.5775","0.0002","90","","115.334","0.001","90","","1382.48","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C64 H72 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0398","0.0325","","","0.0829","0.0871","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212435","8.749","0.0009","5.333","0.0005","24.881","0.003","90","","90","","90","","1160.9","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O2 S -","- C13 H10 F2 O2 S -","- C52 H40 F8 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0345","0.0296","","","0.0691","0.0718","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212436","15.345","0.014","5.395","0.002","8.604","0.007","90","","105.57","0.03","90","","686.2","0.9","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.1135","0.0809","","","0.1918","0.2263","","","","","","1.066","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212437","13.0726","0.0006","5.289","0.0002","8.9303","0.0003","90","","90.231","0.003","90","","617.44","0.04","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H10 F N O4 S -","- C13 H10 F N O4 S -","- C26 H20 F2 N2 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0272","0.0263","","","0.0667","0.0675","","","","","","1.072","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212438","17.924","0.004","9.756","0.003","8.672","0.0017","90","","92.355","0.008","90","","1515.2","0.6","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C64 H72 O16 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0765","0.042","","","0.0724","0.08","","","","","","1.007","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212439","16.3313","0.0011","19.8342","0.0014","8.2586","0.0005","90","","109.308","0.002","90","","2524.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 F2 O2 S -","- C14 H12 F2 O2 S -","- C112 H96 F16 O16 S8 -","8","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0662","0.067","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212440","5.1397","0.0001","10.6207","0.0001","24.9841","0.0005","90","","90","","90","","1363.81","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0302","0.028","","","0.0823","0.084","","","","","","1.207","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212441","13.691","0.003","12.8075","0.0013","7.9667","0.001","90","","93.45","0.013","90","","1394.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0356","0.0294","","","0.0809","0.0836","","","","","","1.059","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212442","7.4697","0.0008","5.681","0.0007","14.0467","0.0016","90","","91.8","0.002","90","","595.78","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C28 H28 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0399","0.0354","","","0.0786","0.081","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212443","7.0952","0.0003","12.2671","0.0005","8.6368","0.0004","90","","94.274","0.002","90","","749.64","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C32 H36 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0405","0.0319","","","0.0783","0.081","","","","","","1.095","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212444","15.4234","0.0011","5.441","0.0004","8.1642","0.0005","90","","105.124","0.002","90","","661.4","0.08","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0376","0.0349","","","0.0904","0.0922","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212445","8.1909","0.0009","5.4433","0.0005","24.948","0.002","90","","90","","90","","1112.32","0.18","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0324","0.0312","","","0.0818","0.0827","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212446","8.2638","0.0002","5.4277","0.0001","27.4202","0.0009","90","","90","","90","","1229.89","0.06","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 Br O S -","- C13 H11 Br O S -","- C52 H44 Br4 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0674","0.0539","","","0.1221","0.1312","","","","","","1.19","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212447","28.2961","0.0006","5.7506","0.0001","15.7264","0.0003","90","","112.159","0.001","90","","2369.99","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O S -","- C14 H14 O S -","- C112 H112 O8 S8 -","8","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0361","0.0311","","","0.0817","0.0846","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212448","15.5607","0.0003","5.81098","0.00011","14.3987","0.0003","90","","107.865","0.001","90","","1239.19","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 O S -","- C14 H12 F2 O S -","- C56 H48 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54187","CuKα","","0.0425","0.0394","","","0.1062","0.1088","","","","","","1.051","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212449","8.5839","0.0006","5.5077","0.0003","15.7646","0.0011","90","","104.481","0.007","90","","721.63","0.08","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0327","0.0314","","","0.0828","0.0838","","","","","","1.063","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212450","13.5661","0.0005","5.7383","0.0002","15.7552","0.0007","90","","93.625","0.001","90","","1224.03","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 O S -","- C14 H12 F2 O S -","- C56 H48 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0585","0.0418","","","0.1016","0.1113","","","","","","1.043","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212451","7.1117","0.0012","8.5497","0.0007","23.495","0.002","89.756","0.007","89.579","0.01","89.428","0.01","1428.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0415","0.0364","","","0.0855","0.0876","","","","","","1.093","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212452","12.4822","0.0015","8.0394","0.0009","14.9907","0.0009","90","","90","","90","","1504.3","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.7107","MoKα","","0.1368","0.0522","","","0.1099","0.132","","","","","","1.032","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212453","9.1481","0.001","9.4793","0.001","11.1701","0.0012","95.729","0.002","92.402","0.002","99.879","0.002","947.79","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 Ni O5 -","- C18 H20 N4 Ni O5 -","- C36 H40 N8 Ni2 O10 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0391","0.0371","","","0.0959","0.0975","","","","","","1.002","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212454","9.296","0.002","18.603","0.005","14.049","0.003","90","","129.493","0.01","90","","1874.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N4 O5 -","- C18 H18 Co N4 O5 -","- C72 H72 Co4 N16 O20 -","4","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71075","MoKα","","0.0621","0.0497","","","0.1178","0.1246","","","","","","1.1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212455","10.0234","0.0016","11.8495","0.0019","12.21","0.002","110.104","0.003","107.98","0.002","95.921","0.003","1259.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd2 N4 O8 -","- C24 H26 Cd2 N4 O8 -","- C48 H52 Cd4 N8 O16 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0358","0.0342","","","0.1001","0.1018","","","","","","1.043","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212456","10.563","0.002","22.256","0.005","10.562","0.002","90","","95.04","0.008","90","","2473.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Ni O6 -","- C26 H18 N4 Ni O6 -","- C104 H72 N16 Ni4 O24 -","4","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0689","0.0566","","","0.1524","0.1588","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212457","10.654","0.005","10.711","0.005","11.681","0.005","110.143","0.007","102.356","0.007","109.812","0.007","1091.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C44 H40 Co2 N8 O10 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0492","0.0402","","","0.0775","0.0802","","","","","","1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212458","9.2547","0.0012","10.1947","0.0014","12.9233","0.0017","98.955","0.003","93.424","0.003","104.368","0.002","1160.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn3 N8 O14 -","- C48 H42 Mn3 N8 O14 -","- C48 H42 Mn3 N8 O14 -","1","0.5","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0671","0.0453","","","0.0965","0.1166","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212459","7.7489","0.0015","28.027","0.006","3.8702","0.0008","90","","90","","90","","840.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(malonic acid).(isonicotinic acid hydrazide)2","(malonic acid).(isonicotinic acid hydrazide)2","","- C15 H18 N6 O6 -","- C15 H18 N6 O6 -","- C30 H36 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0388","0.0342","","","0.0841","0.0854","","","","","","1.052","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212460","6.9976","0.0004","19.5601","0.001","7.1495","0.0005","90","","114.892","0.008","90","","887.67","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(succinic acid).(isonicotinic acid hydrazide)2","(succinic acid).(isonicotinic acid hydrazide)2","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0419","0.0335","","","0.0854","0.0888","","","","","","1.03","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212461","5.0641","0.0005","8.1495","0.001","16.3114","0.0017","76.668","0.01","81.845","0.008","73.046","0.01","624.54","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(glutaric acid).(isonicotinic acid hydrazide)","(glutaric acid).(isonicotinic acid hydrazide)","","- C11 H15 N3 O5 -","- C11 H15 N3 O5 -","- C22 H30 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0579","0.0385","","","0.0778","0.0825","","","","","","0.962","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212462","6.3361","0.0004","3.8795","0.0002","39.723","0.002","90","","90.122","0.005","90","","976.42","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(isonicotinic acid hydrazide)2","(adipic acid).(isonicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","1.5418","CuKα","","0.0389","0.0358","","","0.1079","0.1105","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212463","5.1055","0.0005","7.4175","0.0006","19.3653","0.0015","94.328","0.006","93.12","0.006","103.66","0.007","708.61","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(pimelic acid).(isonicotinic acid hydrazide)","(pimelic acid).(isonicotinic acid hydrazide)","","- C13 H19 N3 O5 -","- C13 H19 N3 O5 -","- C26 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0489","0.0349","","","0.0848","0.0878","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212464","12.9083","0.0005","4.9898","0.0001","20.3294","0.0009","90","","91.85","0.004","90","","1308.73","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-hydroxybenzoic acid).(isonicotinic acid hydrazide)","(4-hydroxybenzoic acid).(isonicotinic acid hydrazide)","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0409","0.0317","","","0.0776","0.0802","","","","","","1.067","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212465","8.1931","0.0004","5.0698","0.0002","30.2815","0.0013","90","","94.923","0.004","90","","1253.17","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(2,4-dihydroxybenzoic acid).(isonicotinic acid hydrazide)","(2,4-dihydroxybenzoic acid).(isonicotinic acid hydrazide)","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.047","0.0348","","","0.0828","0.0863","","","","","","1.051","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212466","19.8053","0.0008","8.4686","0.0004","10.0248","0.0004","90","","99.567","0.004","90","","1658.01","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-hydroxybenzoic acid).((Z)-N'-(butan-2- ylidene)isonicotinohydrazide)","(3-hydroxybenzoic acid).((Z)-N'-(butan-2-ylidene)isonicotinohydrazide)","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","1.5418","CuKα","","0.0875","0.08","","","0.1874","0.1981","","","","","","0.882","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212467","8.652","0.0003","20.818","0.0008","8.785","0.0004","90","","101.679","0.004","90","","1549.57","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-hydroxybenzoic acid).(N'-(propan-2- ylidene)isonicotinohydrazide)","(3-hydroxybenzoic acid).(N'-(propan-2-ylidene)isonicotinohydrazide)","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C64 H68 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0632","0.0406","","","0.0819","0.0867","","","","","","0.95","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212468","8.6159","0.0013","13.762","0.002","9.6961","0.0014","90","","111.258","0.002","90","","1071.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","zinc sulfate","","","- C4 H12 N2 O8 S2 Zn -","- C4 H12 N2 O8 S2 Zn -","- C16 H48 N8 O32 S8 Zn4 -","4","2","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0925","0.0543","","","0.0864","0.1005","","","","","","1.01","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212469","9.9945","0.0003","9.9945","0.0003","9.9945","0.0003","90","","90","","90","","998.35","0.05","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","zinc sulfate","","","- H8 N2 O12 S3 Zn2 -","- H8 N2 O12 S3 Zn2 -","- H32 N8 O48 S12 Zn8 -","4","0.333333","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0197","0.0182","","","0.0445","0.0448","","","","","","1.188","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212470","6.8592","0.0009","8.975","0.0011","13.721","0.0017","90","","90","","90","","844.68","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zinc sulfate","","","- H8 N2 O8 S2 Zn -","- H8 N2 O8 S2 Zn -","- H32 N8 O32 S8 Zn4 -","4","1","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0363","0.029","","","0.056","0.0593","","","","","","0.994","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212471","14.7508","0.0008","17.847","0.001","22.1096","0.0009","100.112","0.005","102.224","0.004","97.19","0.005","5519.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H241 Gd N2 O83 P4 S8 -","- C162 H139 Gd N2 O83 P4 S8 -","- C162 H139 Gd N2 O83 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.2676","0.1569","","","0.3047","0.356","","","","","","1.003","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212472","12.7621","0.0004","15.4557","0.0005","19.2632","0.0006","106.004","0.003","93.474","0.003","112.632","0.003","3311.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H152 Gd2 N4 O59 P2 S8 -","- C112 H152 Gd2 N4 O59 P2 S8 -","- C112 H152 Gd2 N4 O59 P2 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.0723","0.0501","","","0.1436","0.1571","","","","","","1.001","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212473","14.7749","0.0002","17.8871","0.0004","21.7909","0.0005","100.797","0.002","100.493","0.002","97.627","0.002","5478.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H231 Gd N2 O76 P4 S8 -","- C164 H143 Gd N2 O76 P4 S8 -","- C164 H143 Gd N2 O76 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","1.54178","CuKα","","0.1487","0.1142","","","0.2475","0.2646","","","","","","1.009","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212474","12.8192","0.0001","18.6718","0.0003","28.87","0.0004","100.278","0.001","99.635","0.001","98.348","0.001","6593.41","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114.5 H145 Gd2 N2 O55 P2 S8 -","- C114.5 H145 Gd2 N2 O55 P2 S8 -","- C229 H290 Gd4 N4 O110 P4 S16 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.1138","0.0869","","","0.2271","0.2419","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212475","10.2745","0.0007","10.1246","0.0007","14.8789","0.001","90","","98.865","0.002","90","","1529.29","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theoph methyl gal cocrystal","","","- C15 H16 N4 O7 -","- C15 H16 N4 O7 -","- C60 H64 N16 O28 -","4","1","","Chattoraj, Sayantan; Shi, Limin; Sun, Changquan Calvin","Understanding the relationship between crystal structure, plasticity and compaction behaviour of theophylline, methyl gallate, and their 1 : 1 co-crystal","CrystEngComm","2010","12","8","2466","","10.1039/c000614a","","","0.71073","MoKα","","0.0954","0.0604","","","0.1579","0.1855","","","","","","1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212476","7.6798","0.0012","9.9854","0.0015","10.5949","0.0016","90","","96.005","0.002","90","","808","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","methylgallate","","","- C8 H8 O5 -","- C8 H8 O5 -","- C32 H32 O20 -","4","1","","Chattoraj, Sayantan; Shi, Limin; Sun, Changquan Calvin","Understanding the relationship between crystal structure, plasticity and compaction behaviour of theophylline, methyl gallate, and their 1 : 1 co-crystal","CrystEngComm","2010","12","8","2466","","10.1039/c000614a","","","0.71073","MoKα","","0.0621","0.0469","","","0.1255","0.138","","","","","","1.085","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212477","14.7198","0.0016","7.7386","0.0017","23.1799","0.0009","90","","106.385","0.003","90","","2533.2","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ADACID","","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0802","0.0614","","","0.154","0.1668","","","","","","1.067","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212478","8.924","0.005","10.297","0.005","15.62","0.008","71.631","0.008","89.933","0.008","75.659","0.008","1315.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Cd-ADA-1","","","- C27 H33 Cd N3 O5 -","- C27 H33 Cd N3 O5 -","- C54 H66 Cd2 N6 O10 -","2","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0716","0.0607","","","0.1505","0.1618","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212479","8.8816","0.0016","10.2469","0.0018","15.551","0.003","71.53","0.003","89.774","0.003","74.903","0.003","1291.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Mn N3 O5 -","- C27 H33 Mn N3 O5 -","- C54 H66 Mn2 N6 O10 -","2","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0932","0.0552","","","0.1111","0.134","","","","","","0.948","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212480","23.495","0.002","11.6667","0.001","13.2885","0.0012","90","","94.286","0.002","90","","3632.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn-ADA-2","","","- C38 H50 Mn N2 O10 -","- C38 H50 Mn N2 O10 -","- C152 H200 Mn4 N8 O40 -","4","0.5","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0786","0.0526","","","0.1032","0.1139","","","","","","0.945","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212481","22.587","0.004","14.078","0.003","11.24","0.002","90","","113.424","0.007","90","","3279.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 N O4 Zn -","- C19 H22 N O4 Zn -","- C152 H176 N8 O32 Zn8 -","8","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0915","0.0934","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212482","7.7056","0.0015","11.588","0.002","17.604","0.004","90","","102.37","0.03","90","","1535.4","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","2","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1068","0.076","","","0.1744","0.1943","","","","","","1.027","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212483","21.073","0.004","21.073","0.004","6.9309","0.0014","90","","90","","90","","3077.8","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H42 Cu N2 O10 -","- C30 H42 Cu N2 O10 -","- C120 H168 Cu4 N8 O40 -","4","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.035","0.0333","","","0.0714","0.0722","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212484","9.0548","0.0018","9.1122","0.0018","11.912","0.002","107.17","0.03","104.62","0.03","93.42","0.03","899","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O8 Zn3 -","- C32 H34 N6 O8 Zn3 -","- C32 H34 N6 O8 Zn3 -","1","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1131","0.0731","","","0.1797","0.207","","","","","","1.048","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212485","9.0109","0.0018","9.0814","0.0018","11.788","0.002","106.73","0.03","103.76","0.03","95.01","0.03","884.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Co3 N6 O8 -","- C32 H34 Co3 N6 O8 -","- C32 H34 Co3 N6 O8 -","1","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.115","0.07","","","0.1756","0.1978","","","","","","1.094","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212486","6.9446","0.0019","7.0471","0.0019","30.246","0.008","90","","90","","90","","1480.2","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0518","0.0404","","","0.1291","0.1485","","","","","","1.089","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212487","14.529","0.012","5.882","0.005","17.727","0.015","90","","101.346","0.012","90","","1485","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","propylammonium diphenylacetate","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0634","0.0426","","","0.0939","0.1057","","","","","","1.037","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212488","16.064","0.003","6.4139","0.0013","17.668","0.004","90","","91.84","0.03","90","","1819.4","0.6","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cyclohexylammonium acetate","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0372","0.0345","","","0.0928","0.0956","","","","","","1.074","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212489","6.4832","0.0007","21.423","0.002","45.021","0.005","90","","90","","90","","6252.9","1.1","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclohexylammonium benzoate","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C260 H380 N20 O40 -","20","5","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.04","0.0373","","","0.1307","0.139","","","","","","0.848","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212490","6.5265","0.0004","18.416","0.0011","14.9966","0.0009","90","","93.518","0.001","90","","1799.08","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","anilinium benoate benzoic acid","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0659","0.0491","","","0.2081","0.3052","","","","","","0.715","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212491","8.5689","0.0015","11.0491","0.0019","17.529","0.003","90","","90","","90","","1659.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzylammonium formate","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0318","0.0294","","","0.0807","0.083","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212492","12.7338","0.0008","7.9987","0.0005","17.5766","0.0011","90","","93.073","0.001","90","","1787.67","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzylammonium acetate","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0462","0.0363","","","0.0966","0.1025","","","","","","1.075","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212493","12.0457","0.0003","5.8896","0.0001","15.869","0.0004","90","","102.077","0.001","90","","1100.9","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylammonium proprionate hydrate","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0409","0.0381","","","0.1039","0.1072","","","","","","1.028","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212494","28.1285","0.0003","10.8367","0.0001","9.7154","0.0001","90","","97.1","0.001","90","","2938.74","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenylethylammonium diphenylacetate diphenylacetic acid","","","- C36 H35 N O4 -","- C36 H35 N O4 -","- C144 H140 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0527","0.0375","","","0.0889","0.0982","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212495","14.427","0.0017","14.427","0.0017","10.0102","0.0015","90","","90","","120","","1804.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.71073","MoKα","","0.1111","0.0648","","0.2188","0.1665","0.2188","","","","","","0.9999","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212496","13.9836","0.0019","13.9836","0.0019","9.9229","0.0015","90","","90","","120","","1680.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.4872","synchrotron","","0.1276","0.0615","","0.1712","0.1376","0.1712","","","","","","1.0131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212498","9.49","0.009","16.85","0.02","31.68","0.03","95.77","0.05","98.07","0.05","99.45","0.05","4908","9","150","","150","","","","","","","","Trichoderma Viride","4","P 1","P 1","1","","","","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","1","1","","Dittrich, Birger; Bond, Charles S.; Kalinowski, Roman; Spackman, M. A.; Jayatilaka, Dylan","Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E","CrystEngComm","2010","12","8","2419","","10.1039/c001072c","","","0.6883","","","0.0711","0.046","","","","0.0539","","","","","","3.3171","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212499","16.561","0.003","12.656","0.003","17.176","0.003","90","","113.54","0.03","90","","3300.4","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 Co N4 O2 -","- C38 H43 Co N4 O2 -","- C152 H172 Co4 N16 O8 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1186","0.0676","","","0.1525","0.1825","","","","","","0.959","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212500","15.312","0.007","12.191","0.005","18.927","0.008","90","","96.983","0.007","90","","3507","3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 Mn N4 O4 -","- C39 H42 Mn N4 O4 -","- C156 H168 Mn4 N16 O16 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1303","0.0867","","","0.1964","0.2325","","","","","","0.986","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212501","11.564","0.002","18.821","0.004","17.117","0.003","90","","100.68","0.03","90","","3660.9","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H88 N8 Ni2 O6 -","- C76 H84 N8 Ni2 O6 -","- C152 H168 N16 Ni4 O12 -","2","1","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0915","0.0553","","","0.1249","0.1414","","","","","","1.021","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212502","9.7901","0.0011","10.4305","0.0012","32.683","0.004","90","","97.74","0.001","90","","3307","0.7","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 N4 O2 Zn -","- C38 H42 N4 O2 Zn -","- C152 H168 N16 O8 Zn4 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0733","0.0433","","","0.0847","0.0964","","","","","","0.959","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212503","15.3128","0.0006","16.0078","0.0009","16.1656","0.0008","113.203","0.005","100.27","0.004","95.062","0.004","3528.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(mu-dithioisopentanoato)digold(I)","bis(mu-dithioisopentanoato)digold(I)","","- C10 H18 Au2 S4 -","- C10 H18 Au2 S4 -","- C90 H162 Au18 S36 -","9","4.5","","Gallego, M. Luz; Guijarro, Alejandro; Castillo, Oscar; Parella, Teodor; Mas-Balleste, Ruben; Zamora, Felix","Nuclearity control in gold dithiocarboxylato compounds","CrystEngComm","2010","12","8","2332","","10.1039/c001150a","","","0.71069","MoKα","","0.0832","0.0454","","","0.1011","0.1069","","","","","","1.036","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212504","9.2796","0.0005","15.4914","0.0009","18.8044","0.0011","85.919","0.005","81.923","0.004","87.427","0.004","2667.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)","catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)","","- C35 H63 Au7 S14 -","- C35 H63 Au7 S14 -","- C70 H126 Au14 S28 -","2","1","","Gallego, M. Luz; Guijarro, Alejandro; Castillo, Oscar; Parella, Teodor; Mas-Balleste, Ruben; Zamora, Felix","Nuclearity control in gold dithiocarboxylato compounds","CrystEngComm","2010","12","8","2332","","10.1039/c001150a","","","0.71069","MoKα","","0.0802","0.0385","","","0.0686","0.0727","","","","","","0.806","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212505","3.8432","0.0008","10.964","0.002","9.778","0.002","90","","91.13","0.03","90","","411.93","0.14","295","2","295","2","","","270000","","","","","3","P 1 21/n 1","-P 2yn","14","pyridazine","pyridazine","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.0779","0.0587","","","0.1579","0.1686","","","","","","1.119","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212506","3.7189","0.0007","10.748","0.002","9.6823","0.0019","90","","91.5","0.03","90","","386.88","0.13","295","2","295","2","","","610000","","","","","3","P 1 21/n 1","-P 2yn","14","pyridazine","pyridazine","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.0851","0.0726","","","0.2146","0.233","","","","","","1.17","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212507","17.267","0.004","8.764","0.0018","11.006","0.002","90","","90","","90","","1665.5","0.6","295","2","295","2","","","1230000","","","","","3","P n a 21","P 2c -2n","33","pyridine","pyridine","","- C5 H5 N -","- C5 H5 N -","- C80 H80 N16 -","16","4","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.1611","0.0997","","","0.196","0.2302","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212508","6.771","0.0014","5.591","0.0011","18.1","0.004","90","","90.4","0.03","90","","685.2","0.2","295","2","295","2","","","1800000","","","","","4","P 1 c 1","P -2yc","7","pyridine:methanol 3:1 cocrystal","pyridine:methanol 3:1 cocrystal","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.3587","0.3001","","","0.285","0.307","","","","","","2.301","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212509","20.424","0.004","11.568","0.002","21.291","0.004","90","","112.26","0.03","90","","4655.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0597","0.051","","","0.1424","0.1514","","","","","","0.962","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212510","20.443","0.004","11.573","0.002","21.276","0.004","90","","112.15","0.03","90","","4662.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0387","0.0354","","","0.0948","0.0982","","","","","","1.045","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212511","15.314","0.003","15.585","0.003","16.984","0.003","90","","104.48","0.03","90","","3924.8","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H65 Mo18 N6 O86.5 P2 -","- C12 H20 Mo18 N6 O86.5 P2 -","- C24 H40 Mo36 N12 O173 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0677","0.0651","","","0.1681","0.1695","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212512","33.99","0.02","7.985","0.004","23.009","0.014","90","","123.764","0.006","90","","5192","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N5 O8 Zn -","- C27 H15 N5 O8 Zn -","- C216 H120 N40 O64 Zn8 -","8","1","","Sun, Jian-Ke; Yao, Qing-Xia; Ju, Zhan-Feng; Zhang, Jie","2D self-catenated coordination polymer constructed by triple- and double-helical chains","CrystEngComm","2010","12","6","1709","","10.1039/c001249c","","","0.71073","MoKα","","0.0583","0.0533","","","0.1515","0.1568","","","","","","1.036","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212513","5.6163","0.0005","8.7795","0.0008","27.999","0.002","90","","90","","90","","1380.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.71073","MoKα","","0.0892","0.0533","","0.1286","0.1085","0.1286","","","","","","0.969","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212514","5.3892","0.0003","8.4564","0.0004","27.564","0.004","90","","90","","90","","1256.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0983","0.0435","","0.1102","0.0695","0.1102","","","","","","0.9901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212515","5.3033","0.0003","8.2132","0.0005","26.874","0.004","90","","90","","90","","1170.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0596","0.0372","","0.1245","0.0804","0.1245","","","","","","1.0006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212516","5.2748","0.0002","8.3459","0.0003","25.496","0.003","90","","90","","90","","1122.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0483","0.0212","","0.0449","0.034","0.0449","","","","","","1.1146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212517","16.546","0.007","4.49","0.001","14.124","0.007","90","","125.5","0.13","90","","854.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0687","0.064","","","0.1629","0.1672","","","","","","1.261","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212518","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.1177","0.0868","","","0.236","0.256","","","","","","0.987","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212519","18.443","0.017","7.313","0.005","15.038","0.016","90","","122.19","0.05","90","","1716","3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0441","0.0389","","","0.0911","0.094","","","","","","1.1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212521","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0999","0.0722","","","0.2056","0.2218","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212523","15.8818","0.0005","15.8818","0.0005","9.9176","0.0007","90","","90","","120","","2166.39","0.18","296","2","296","2","","","","","","","","5","P -6","P -6","174","","","","- C20 H20 In N O8 -","- C16.6667 H8 In N0.67 O8 -","- C50 H24 In3 N2.01 O24 -","3","0.5","","Bu, Fei; Xiao, Shou-Jun","A 4-connected anionic metal‒organic nanotube constructed from indium isophthalate","CrystEngComm","2010","12","11","3385","","10.1039/c001284j","","","0.71073","MoKα","","0.0579","0.0547","","","0.1512","0.1544","","","","","","1.116","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212524","6.0186","0.0006","12.3298","0.0011","5.7828","0.0004","90","","90","","90","","429.13","0.06","298","","298","","","0.016","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.146","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212525","5.9004","0.001","12.298","0.002","5.7626","0.0008","90","","90","","90","","418.15","0.11","298","","298","","0.4","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.06","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212526","5.8204","0.0009","12.2496","0.0018","5.7419","0.0008","90","","90","","90","","409.38","0.1","298","","298","","0.77","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212527","5.783","0.0005","12.2194","0.0009","5.7287","0.0004","90","","90","","90","","404.82","0.05","298","","298","","1.025","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.183","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212528","5.7345","0.0004","12.1746","0.0007","5.7095","0.0003","90","","90","","90","","398.61","0.04","298","","298","","1.38","0.012","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212529","5.6369","0.0004","12.0464","0.0007","5.6628","0.0003","90","","90","","90","","384.53","0.04","298","","298","","2.302","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.324","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212530","5.5556","0.0003","11.911","0.0007","5.6233","0.0003","90","","90","","90","","372.11","0.04","298","","298","","3.206","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212531","5.485","0.0005","11.7729","0.001","5.5875","0.0005","90","","90","","90","","360.81","0.06","298","","298","","4.31","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212532","5.4221","0.0003","11.6457","0.0006","5.5564","0.0003","90","","90","","90","","350.85","0.03","298","","298","","5.426","0.019","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.259","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212533","5.3626","0.0004","11.5291","0.0009","5.5263","0.0004","90","","90","","90","","341.67","0.04","298","","298","","6.65","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.1","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212534","5.3105","0.0003","11.4299","0.0006","5.5015","0.0003","90","","90","","90","","333.93","0.03","298","","298","","8.03","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.232","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212535","5.2815","0.0005","11.3765","0.001","5.4879","0.0005","90","","90","","90","","329.74","0.05","298","","298","","8.82","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.085","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212536","5.2626","0.0003","11.3404","0.0006","5.4786","0.0003","90","","90","","90","","326.96","0.03","298","","298","","9.39","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.277","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212537","5.2459","0.0004","11.3088","0.0008","5.4696","0.0004","90","","90","","90","","324.48","0.04","298","","298","","9.87","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.139","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212538","4.8746","0.0014","6.4011","0.001","8.98","0.003","74.05","0.02","83.54","0.02","80.468","0.018","265.03","0.13","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0751","0.0657","","0.1656","0.158","0.1656","","","","","","1.0479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212539","4.835","0.003","6.31","0.002","8.895","0.007","74.62","0.04","84.12","0.05","80.67","0.04","257.7","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0789","0.0701","","0.1678","0.1592","0.1678","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212540","4.76","0.002","6.1455","0.0012","8.737","0.004","76.06","0.03","84.56","0.03","81.25","0.02","244.71","0.16","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0631","0.0539","","0.135","0.1278","0.135","","","","","","1.0489","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212541","4.728","0.002","6.0501","0.0014","8.684","0.005","76.54","0.03","84.73","0.04","81.67","0.03","238.6","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.062","0.0564","","0.1735","0.1696","0.1735","","","","","","1.2154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212542","4.693","0.002","5.9013","0.0014","8.599","0.005","77.48","0.03","84.97","0.04","82.35","0.03","229.99","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0703","0.0627","","0.158","0.1512","0.158","","","","","","1.1572","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212543","4.676","0.003","5.8115","0.0017","8.543","0.006","77.95","0.04","85.11","0.05","82.77","0.04","224.8","0.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0679","0.0625","","0.1678","0.1635","0.1678","","","","","","1.1345","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212544","4.51","0.0005","5.9287","0.0006","8.503","0.003","76.528","0.016","85.624","0.017","83.203","0.008","219.27","0.09","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0305","0.0288","","0.0693","0.0675","0.0693","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212545","4.4832","0.0004","5.8932","0.0004","8.465","0.002","76.234","0.013","85.836","0.013","83.284","0.006","215.5","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0267","0.0256","","0.0583","0.0578","0.0583","","","","","","1.2151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212546","4.4609","0.0004","5.8592","0.0005","8.427","0.002","75.991","0.015","86.055","0.014","83.349","0.006","212.08","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0255","0.024","","0.0584","0.0579","0.0584","","","","","","1.1898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212547","11.52","0.0004","14.4315","0.0007","18.012","0.003","90","","90","","90","","2994.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0576","0.0389","","0.1091","0.0944","0.1091","","","","","","0.9194","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212548","11.2728","0.0008","13.8681","0.0011","18.219","0.004","90","","90","","90","","2848.2","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0496","0.032","","0.0887","0.0777","0.0887","","","","","","0.8574","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212549","11.1332","0.0005","13.4098","0.0007","18.367","0.002","90","","90","","90","","2742.1","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0557","0.033","","0.0921","0.0772","0.0921","","","","","","0.9629","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212550","11.716","0.007","14.713","0.009","17.934","0.011","90","","90","","90","","3091","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.71073","MoKα","","0.0525","0.0332","","0.072","0.0632","0.072","","","","","","1.0554","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212551","7.385","0.003","7.782","0.005","12.82","0.08","90","","95.02","0.12","90","","734","5","296","2","296","2","1800000","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,4-diazabicyclo(2.2.2)octane dihydroiodide trimethanol cocrystal","1,4-diazabicyclo[2.2.2]octane dihydroiodide trimethanol cocrystal","","- C9 H26 I2 N2 O3 -","- C9 H26 I2 N2 O3 -","- C18 H52 I4 N4 O6 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.1172","0.0617","","","0.1424","0.1682","","","","","","1.386","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212552","8.88","0.02","6.5844","0.0004","10.335","0.01","90","","108.69","0.19","90","","572.4","1.5","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.0413","0.0396","","","0.0841","0.0903","","","","","","1.086","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212553","10.4595","0.0009","14.392","0.0013","14.7634","0.0013","69.608","0.001","82.476","0.001","88.043","0.001","2065","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H74 Cd3 N4 O16 -","- C73.994 H74 Cd3 N4 O16 -","- C73.994 H74 Cd3 N4 O16 -","1","0.5","","Mu, Bin; Huang, Yougui; Walton, Krista S.","A metal‒organic framework with coordinatively unsaturated metal centers and microporous structure","CrystEngComm","2010","12","8","2347","","10.1039/c001485k","","","0.71073","MoKα","","0.0698","0.0562","","","0.1389","0.1471","","","","","","1.04","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212554","10.9528","0.0002","13.6506","0.0002","26.0918","0.0004","90","","90","","90","","3901.04","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46.5 N4 O23.25 Zn2 -","- C32 H29 N4 O23.201 Zn2 -","- C128 H116 N16 O92.804 Zn8 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0532","0.0435","","","0.1228","0.1304","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212555","6.953","0.002","12.209","0.004","13.829","0.004","111.295","0.006","97.98","0.005","102.352","0.006","1037.8","0.5","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H50 Cu2 N4 O25 -","- C32 H26 Cu2 N4 O24.925 -","- C32 H26 Cu2 N4 O24.925 -","1","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","0.71073","MoKα","","0.054","0.0509","","","0.1296","0.1319","","","","","","1.056","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212556","8.066","0.0002","25.1855","0.0006","9.8493","0.0003","90","","110.551","0.003","90","","1873.51","0.09","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O10 Zn -","- C18 H15 N2 O10 Zn -","- C72 H60 N8 O40 Zn4 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0458","0.0428","","","0.124","0.1346","","","","","","1.113","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212557","8.0918","0.0001","25.5718","0.0003","9.9599","0.0001","90","","111.096","0.002","90","","1922.8","0.05","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20.5 Mn N2 O10.25 -","- C18 H13.5 Mn N2 O10.25 -","- C72 H54 Mn4 N8 O41 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0831","0.0761","","","0.2025","0.2098","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212558","8.0565","0.0004","25.1374","0.0008","9.8567","0.0004","90","","110.482","0.005","90","","1869.98","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 Co N2 O10 -","- C18 H14 Co N2 O10 -","- C72 H56 Co4 N8 O40 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0741","0.0556","","","0.1395","0.1497","","","","","","0.999","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212559","7.927","0.0019","25.929","0.005","10.234","0.002","90","","112.785","0.001","90","","1939.3","0.7","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cd0.5 N O5 -","- C9 H7 Cd0.5 N O5 -","- C72 H56 Cd4 N8 O40 -","8","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.1281","0.1158","","","0.2911","0.3022","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212560","9.7117","0.0003","10.2821","0.0002","10.9564","0.0004","90","","113.107","0.004","90","","1006.3","0.06","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Cu N2 O11 -","- C18 H14 Cu N2 O11 -","- C36 H28 Cu2 N4 O22 -","2","0.5","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0559","0.0469","","","0.134","0.1376","","","","","","1.216","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212561","4.5588","0.0002","11.9018","0.0005","15.8005","0.0006","85.912","0.004","84.811","0.003","83.249","0.003","846.27","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 La N3 O12 -","- C12 H14 La N3 O12 -","- C24 H28 La2 N6 O24 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0278","0.022","","","0.0495","0.0505","","","","","","0.984","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212562","8.5017","0.0003","9.4822","0.0003","10.8767","0.0005","106.74","0.004","101.306","0.004","92.424","0.003","818.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N3 O11 Pr -","- C12 H14 N3 O11 Pr -","- C24 H28 N6 O22 Pr2 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0226","0.0194","","","0.0479","0.0485","","","","","","1.053","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212563","7.8028","0.0001","19.2619","0.0003","12.67","0.0002","90","","98.975","0.001","90","","1880.95","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N3 O14 Sm -","- C12 H14 N3 O14 Sm -","- C48 H56 N12 O56 Sm4 -","4","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0323","0.0232","","","0.0623","0.0836","","","","","","1.221","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212564","7.8133","0.0003","10.7254","0.0004","11.9085","0.0004","64.815","0.004","70.883","0.003","72.769","0.003","838.79","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ho N3 O12 -","- C12 H14 Ho N3 O12 -","- C24 H28 Ho2 N6 O24 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0158","0.0147","","","0.0367","0.0369","","","","","","1.078","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212565","6.105","0.003","3.9567","0.0015","13.714","0.007","90","","99.163","0.007","90","","327","0.3","270","2","270","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0405","0.0341","","","0.0837","0.0863","","","","","","1.062","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212566","6.038","0.002","3.878","0.0012","13.594","0.005","90","","98.474","0.006","90","","314.83","0.18","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0357","0.0355","","","0.0935","0.0938","","","","","","1.105","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212567","4.1069","0.0003","5.9634","0.0007","13.395","0.003","90","","93.949","0.012","90","","327.28","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0523","0.0429","","","0.106","0.1123","","","","","","1.217","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212568","9.724","0.0004","14.315","0.0006","18.145","0.0008","68.882","0.007","89.791","0.001","71.188","0.001","2212.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Mo16 N18 Ni O56 -","- C54 H62 Mo16 N18 Ni O56 -","- C54 H62 Mo16 N18 Ni O56 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0504","0.0358","","","0.0758","0.0836","","","","","","1.008","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212569","10.467","0.006","13.725","0.008","15.932","0.001","85.217","0.001","76.214","0.001","72.187","0.001","2116.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Co2 Mo16 N12 O66 -","- C36 H36 Co2 Mo16 N12 O66 -","- C36 H36 Co2 Mo16 N12 O66 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0495","0.039","","","0.1006","0.1087","","","","","","1.037","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212570","10.0611","0.0013","12.0763","0.0016","15.1854","0.002","85.0225","0.0018","87.26","0.0017","67.4954","0.0015","1697.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu6 Mo14 N16 O45 -","- C32 H32 Cu6 Mo14 N16 O45 -","- C32 H32 Cu6 Mo14 N16 O45 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0713","0.059","","","0.1639","0.1777","","","","","","0.946","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212571","12.977","0.003","9.0177","0.0014","12.592","0.003","90","","94.82","0.018","90","","1468.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","0.5","","Muñoz, M. Carmen; Blay, Gonzalo; Fernández, Isabel; Pedro, José R.; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan","Topological control in the hydrogen bond-directed self-assembly of ortho-, meta-, and para-phenylene-substituted dioxamic acid diethyl esters","CrystEngComm","2010","12","8","2473","","10.1039/c001682a","","","0.71073","MoKα","","0.0694","0.0565","","","0.1604","0.1812","","","","","","0.827","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212572","15.8618","0.0004","6.4886","0.0002","16.1829","0.0005","90","","109.029","0.001","90","","1574.54","0.08","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag F6 N6 P -","- C12 H14 Ag F6 N6 P -","- C48 H56 Ag4 F24 N24 P4 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.034","0.0286","","","0.0691","0.0721","","","","","","1.026","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212573","15.7412","0.0006","6.6018","0.0002","16.5704","0.0007","90","","109.108","0.002","90","","1627.12","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag F6 N6 Sb -","- C12 H14 Ag F6 N6 Sb -","- C48 H56 Ag4 F24 N24 Sb4 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.037","0.0315","","","0.0756","0.0792","","","","","","1.046","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212574","28.677","0.0005","13.737","0.0004","18.424","0.0004","90","","123.91","0.001","90","","6023.4","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag Cl N6 O4 -","- C12 H14 Ag Cl N6 O4 -","- C192 H224 Ag16 Cl16 N96 O64 -","16","2","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.1008","0.0495","","","0.1153","0.1541","","","","","","1.037","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212575","12.595","0.003","10.732","0.002","10.892","0.002","90","","108.52","0.03","90","","1396","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag N7 O3 -","- C12 H14 Ag N7 O3 -","- C48 H56 Ag4 N28 O12 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.0195","0.018","","","0.0462","0.0465","","","","","","1.093","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212576","8.4509","0.0003","16.1974","0.0004","9.8423","0.0004","90","","106.324","0.004","90","","1292.93","0.08","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C48 H40 Cu4 I4 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0407","0.024","","","0.0266","0.0273","","","","","","0.999","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212577","11.8984","0.0013","16.3498","0.0017","15.6505","0.0017","90","","95.531","0.001","90","","3030.4","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu2 I2 N4 -","- C12 H10 Cu2 I2 N4 -","- C96 H80 Cu16 I16 N32 -","8","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0396","0.0352","","","0.0954","0.0978","","","","","","1.092","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212578","7.5406","0.0006","12.2655","0.001","18.374","0.0016","90","","90","","90","","1699.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cu3 I3 N4 -","- C12 H10 Cu3 I3 N4 -","- C48 H40 Cu12 I12 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0846","0.0518","","","0.0699","0.0738","","","","","","0.972","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212579","19.1014","0.0013","22.2971","0.0015","11.1094","0.0008","90","","90","","90","","4731.6","0.6","297","2","297","2","","","","","","","","6","P n n a","-P 2a 2bc","52","CF3CO2Ag-4-pyridylethynide","","","- C33 H16 Ag9 F18 N3 O14 -","- C33 H12 Ag9 F18 N3 O14 -","- C132 H48 Ag36 F72 N12 O56 -","4","0.5","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0897","0.0718","","","0.1776","0.1892","","","","","","1.071","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212580","7.83","0.0004","19.3402","0.0009","15.1026","0.0007","90","","95.725","0.001","90","","2275.64","0.19","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Pyridylethynide-AgNO3","","","- C14 H8 Ag6 N6 O12 -","- C14 H8 Ag6 N6 O12 -","- C56 H32 Ag24 N24 O48 -","4","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.1732","0.1647","","","0.329","0.3332","","","","","","1.102","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212581","15.5338","0.0004","16.0601","0.0005","17.2227","0.0006","90","","90","","90","","4296.6","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5-Pyrimidylethynide-CF3CO2Ag","","","- C12 H9 Ag4 F9 N2 O9 -","- C12 H9 Ag4 F9 N2 O9 -","- C96 H72 Ag32 F72 N16 O72 -","8","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0548","0.0395","","","0.0855","0.0892","","","","","","0.945","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212582","7.9993","0.0005","11.2241","0.0008","16.2302","0.0011","90","","96.836","0.001","90","","1446.87","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AgNO3-5-pyrimidylethynide","","","- C6 H5 Ag4 N5 O10 -","- C6 H3 Ag4 N5 O10 -","- C24 H12 Ag16 N20 O40 -","4","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0624","0.0522","","","0.1436","0.1684","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212583","17.4139","0.0011","13.3693","0.0008","18.4844","0.001","90","","90.492","0.002","90","","4303.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","215077 (3694-81-02)","","- C24 H26 N4 O5 -","- C24 H26 N4 O5 -","- C192 H208 N32 O40 -","8","2","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.0935","0.0581","","","0.1606","0.1833","","","","","","1.064","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212584","17.424","0.002","26.809","0.004","18.546","0.002","90","","90.225","0.005","90","","8663.1","1.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","204542","","- C24 H26 N4 O5 -","- C24 H26 N4 O5 -","- C384 H416 N64 O80 -","16","4","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.1316","0.0728","","","0.1796","0.2094","","","","","","1.028","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212585","38.809","0.003","5.3921","0.0004","26.7284","0.0017","90","","117.306","0.003","90","","4970","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","205650","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C248 H224 N16 O32 -","8","1","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.0882","0.0515","","","0.1208","0.1361","","","","","","1.085","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212586","13.5399","0.0006","13.5399","0.0006","17.0465","0.0014","90","","90","","120","","2706.4","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H13 N6 O27.5 Tb2 -","- C24 H6 N6 O27.5 Tb2 -","- C72 H18 N18 O82.5 Tb6 -","3","0.166667","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0369","0.0332","","","0.0909","0.0939","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212587","15.4","0.001","6.7287","0.0003","14.252","0.001","90","","90","","90","","1476.82","0.16","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Eu K N2 O12 -","- C8 H2 Eu K N2 O12 -","- C32 H8 Eu4 K4 N8 O48 -","4","0.5","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0603","0.0546","","","0.1448","0.1489","","","","","","1.081","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212588","7.3656","0.0008","10.0285","0.0014","12.687","0.002","73.074","0.007","83.655","0.009","83.857","0.009","888.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Eu O13 -","- C17 H13 Eu O13 -","- C34 H26 Eu2 O26 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0808","0.0714","","","0.203","0.2102","","","","","","1.077","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212589","7.339","0.0012","10.0486","0.0017","12.6313","0.0019","72.917","0.005","83.391","0.007","83.719","0.007","881.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Gd O13 -","- C17 H13 Gd O13 -","- C34 H26 Gd2 O26 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.1156","0.085","","","0.2279","0.249","","","","","","1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212590","7.3207","0.0007","10.0387","0.0012","12.6282","0.0018","72.998","0.006","83.552","0.007","83.817","0.007","879.13","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 O13 Tb -","- C17 H13 O13 Tb -","- C34 H26 O26 Tb2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0853","0.0666","","","0.1737","0.1829","","","","","","1.041","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212591","41.327","0.008","9.79","0.002","16.801","0.003","90","","103.67","0.03","90","","6605","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 Fe N12 O8 -","- C32 H24 Cl2 Fe N12 O8 -","- C256 H192 Cl16 Fe8 N96 O64 -","8","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.1265","0.0647","","","0.1375","0.1617","","","","","","0.93","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212592","41.196","0.008","9.874","0.002","16.528","0.003","90","","104.03","0.03","90","","6523","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 B2 F8 Fe N12 -","- C32 H24 B2 F8 Fe N12 -","- C256 H192 B16 F64 Fe8 N96 -","8","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.0744","0.0639","","","0.1774","0.1857","","","","","","1.045","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212593","15.177","0.003","17.099","0.0019","16.797","0.003","90","","111.742","0.014","90","","4048.9","1.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B3 F12 Fe N13 O -","- C34 H30 B3 F12 Fe N13 O -","- C136 H120 B12 F48 Fe4 N52 O4 -","4","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.082","0.0739","","","0.2034","0.2111","","","","","","1.046","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212594","10.2557","0.0012","14.7071","0.0019","14.8141","0.0018","90.327","0.01","90.161","0.01","97.787","0.01","2213.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 O16 Pr2 -","- C46 H46 O16 Pr2 -","- C92 H92 O32 Pr4 -","2","1","","Nayak, Sanjit; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","[Ln2(PhCO2)6(MeOH)4] (Ln = Pr, Nd, Gd): the effect of lanthanide radius on network dimensionality","CrystEngComm","2010","12","10","3008","","10.1039/c002284e","","","0.71073","MoKα","","0.1089","0.0698","","","0.1646","0.1783","","","","","","0.992","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212595","10.14","0.0006","15.063","0.0015","16.577","0.0018","94.96","0.008","104.473","0.008","92.006","0.007","2438.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Eu2 Fe4 N30 O20 -","- C72 H38 Eu2 Fe4 N30 O20 -","- C72 H38 Eu2 Fe4 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0552","0.0385","","","0.0976","0.1075","","","","","","1.091","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212596","10.1241","0.0006","14.9965","0.0012","16.4861","0.001","94.712","0.007","104.484","0.005","92.13","0.005","2411","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Fe4 Gd2 N30 O23 -","- C72 H38 Fe4 Gd2 N30 O23 -","- C72 H38 Fe4 Gd2 N30 O23 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0354","0.0303","","","0.0841","0.0895","","","","","","1.126","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212597","10.066","0.001","15.011","0.0013","16.587","0.0007","94.664","0.005","104.432","0.006","92.157","0.01","2414.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Dy2 Fe4 N30 O20 -","- C72 H38 Dy2 Fe4 N30 O20 -","- C72 H38 Dy2 Fe4 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0729","0.0791","","","","","","1.123","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212598","10.045","0.0009","15.013","0.001","16.629","0.0015","95.024","0.004","104.536","0.004","92.254","0.005","2413.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Fe4 Ho2 N30 O20 -","- C72 H38 Fe4 Ho2 N30 O20 -","- C72 H38 Fe4 Ho2 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.08","0.0651","","","0.19","0.2029","","","","","","1.302","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212599","17.5941","0.0019","8.5724","0.0009","16.3844","0.0018","90","","106.052","0.002","90","","2374.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N12 O14 -","- C48 H46 Co3 N12 O14 -","- C96 H92 Co6 N24 O28 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.037","0.0337","","","0.0839","0.0856","","","","","","1.05","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212600","18.3958","0.0016","8.4767","0.0007","16.6419","0.0014","90","","108.424","0.001","90","","2462.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47.82 Mn3 N12 O14.92 -","- C48 H42 Mn3 N12 O14.922 -","- C96 H84 Mn6 N24 O29.844 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.0447","0.0409","","","0.1025","0.1049","","","","","","1.061","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212601","17.4216","0.0015","8.507","0.0007","16.3463","0.0014","90","","106.566","0.001","90","","2322.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 N12 Ni3 O14 -","- C48 H42 N12 Ni3 O14 -","- C96 H84 N24 Ni6 O28 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.0375","0.0355","","","0.0989","0.1003","","","","","","1.081","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212602","12.424","0.003","27.645","0.006","14.359","0.003","90","","93.55","0.03","90","","4922.3","1.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C92 H88 F12 N6 O22 Ru4 S4 -","- C92 H84 F12 N6 O22 Ru4 S4 -","- C184 H168 F24 N12 O44 Ru8 S8 -","2","1","","Linares, Fátima; Procopio, Elsa Quartapelle; Galindo, Miguel A.; Romero, M. Angustias; Navarro, Jorge A. R.; Barea, Elisa","Molecular architecture of redox-active half-sandwich Ru(ii) cyclic assemblies. Interactions with biomolecules and anticancer activity","CrystEngComm","2010","12","8","2343","","10.1039/c002411b","","","0.71073","MoKα","","0.0664","0.0541","","","0.1387","0.1519","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212603","9.54","0.003","10.457","0.004","10.605","0.004","73.863","0.007","63.928","0.007","64.003","0.006","849.4","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O8 Rh2 -","- C36 H30 N4 O8 Rh2 -","- C36 H30 N4 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Miyake, Ryosuke","Acetonitrile vapour inclusion in single-crystal adsorbents [MII2(bza)4(pyz)]n (MII = Rh, Cu)","CrystEngComm","2010","12","10","2728","","10.1039/c002569k","","","0.71073","MoKα","","0.0826","0.0584","","","0.1775","0.1965","","","","","","1.185","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212604","12.2892","0.0015","11.0889","0.0014","16.49","0.002","90","","110.129","0.014","90","","2109.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Cu3 N6 O23 -","- C38 H30 Cu3 N6 O23 -","- C76 H60 Cu6 N12 O46 -","2","0.5","","Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De","The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks","CrystEngComm","2010","12","11","3437","","10.1039/c002573a","","","0.71073","MoKα","","0.119","0.0507","","","0.0788","0.0851","","","","","","0.912","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212605","14.4711","0.0003","14.6161","0.0003","17.8745","0.0005","90","","90.238","0.002","90","","3780.62","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O27 Zn4 -","- C28 H32 N4 O27 Zn4 -","- C112 H128 N16 O108 Zn16 -","4","1","","Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De","The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks","CrystEngComm","2010","12","11","3437","","10.1039/c002573a","","","0.71073","MoKα","","0.0555","0.0307","","","0.0677","0.0708","","","","","","0.941","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212606","8.9116","0.0018","9.2445","0.0018","18.724","0.004","103.92","0.03","92.14","0.03","109.46","0.03","1400","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H34 Co N6 O19 Zn2 -","- C13 H24 Co N6 O19 Zn2 -","- C26 H48 Co2 N12 O38 Zn4 -","2","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1445","0.0811","","","0.1298","0.1491","","","","","","1.091","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212607","13.133","0.003","22.41","0.005","10.267","0.002","90","","98.96","0.03","90","","2984.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H38 Co Mn2 N6 O20 -","- C15 H26 Co Mn2 N6 O20 -","- C60 H104 Co4 Mn8 N24 O80 -","4","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1283","0.0817","","","0.1454","0.1635","","","","","","1.117","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212608","16.955","0.003","9.543","0.0019","18.549","0.004","90","","90.01","0.03","90","","3001.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Cd2 Co N6 O19.5 -","- C15 H26 Cd2 Co N6 O19.5 -","- C60 H104 Cd8 Co4 N24 O78 -","4","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1363","0.0823","","","0.1295","0.1452","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212609","17.124","0.003","17.124","0.003","5.3921","0.0012","90","","90","","90","","1581.1","0.5","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C24 H33 Cd2 Cl N8 O16 -","- C24 H33 Cd2 Cl N8 O16 -","- C48 H66 Cd4 Cl2 N16 O32 -","2","0.25","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0339","0.0318","","","0.0871","0.0891","","","","","","1.103","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212610","16.007","0.0004","16.007","0.0004","24.156","0.001","90","","90","","90","","6189.3","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cd N4 O6 -","- C12 H16 Cd N4 O6 -","- C192 H256 Cd16 N64 O96 -","16","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0316","0.0311","","","0.071","0.0713","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212611","8.44","0.0005","9.8301","0.0006","18.3307","0.0011","90","","116.651","0.004","90","","1359.25","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,1'-di(propinate)-2,2'-biimidazole)cadmium(ii) (aqua)","[1,1'-di(propinate)-2,2'-biimidazole]cadmium(II) (aqua)","","- C12 H14 Cd N4 O5 -","- C12 H14 Cd N4 O5 -","- C48 H56 Cd4 N16 O20 -","4","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0325","0.0293","","","0.0664","0.0682","","","","","","1.121","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212612","12.579","0.002","7.7219","0.0019","14.126","0.0015","90","","111.218","0.01","90","","1279.1","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Zeta CL-20 at 3.3 GPa","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Kleppe, Annette K.; Marshall, William G.; Pulham, Colin R.; Cumming, Adam S.","Putting the squeeze on energetic materials—structural characterisation of a high-pressure phase of CL-20","CrystEngComm","2010","12","9","2524","","10.1039/c002701d","","","0.71073","MoKα","","0.1673","0.0877","","0.1665","0.0885","0.0885","","","","","","1.1244","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212613","8.7099","0.0005","14.3387","0.0008","14.4473","0.0008","65.513","0.004","83.514","0.005","74.337","0.004","1581.04","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Ag2 O4 -","- C40 H30 Ag2 O4 -","- C80 H60 Ag4 O8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Silver nanofibers from the nanorods of one-dimensional organometallic coordination polymers","CrystEngComm","2010","12","11","3394","","10.1039/c002740e","","","0.71073","MoKα","","0.0466","0.0404","","","0.1003","0.1036","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212615","15.6887","0.0003","15.6887","0.0003","22.2702","0.0008","90","","90","","120","","4747.1","0.2","150","","150","","","","","","","","CMs8","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H42 Cl Mn3 N6 O14 -","- C39 H30 Cl Mn3 N6 O11 -","- C156 H120 Cl4 Mn12 N24 O44 -","4","0.333333","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1095","0.0666","","0.1807","0.137","0.1807","","","","","","0.7718","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212616","13.4841","0.0004","18.4592","0.0005","19.6489","0.0006","90","","104.358","0.002","90","","4738","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Mn6 N10 O20 -","- C96 H94 Mn6 N10 O20 -","- C192 H188 Mn12 N20 O40 -","2","0.5","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1119","0.0717","","0.1737","0.1528","0.1737","","","","","","0.9928","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212617","21.4412","0.0013","21.4412","0.0013","28.5829","0.0017","90","","90","","120","","11379.8","1.2","150","2","150","2","","","","","","","Ross Inglis","6","R -3 :H","-R 3","148","","","","- C164 H141 Cl7 Mn6 N12 O27 -","- C162 H132 Cl7 Mn6 N12 O25.02 -","- C486 H396 Cl21 Mn18 N36 O75.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0879","0.0656","","","0.1771","0.1929","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212618","21.4257","0.0004","21.4257","0.0004","28.5757","0.0006","90","","90","","120","","11360.5","0.4","150","2","150","2","","","","","","","Ross Inglis","5","R -3 :H","-R 3","148","","","","- C174 H163 Mn6 N13 O24 -","- C174 H163 Mn6 N13 O24.02 -","- C522 H489 Mn18 N39 O72.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0591","0.0511","","","0.1325","0.1385","","","","","","1.131","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212619","27.8361","0.001","15.6707","0.0006","30.6046","0.0012","90","","112.593","0.002","90","","12325.5","0.8","150","2","150","2","","","","","","","Ross Inglis","6","C 1 2/c 1","-C 2yc","15","","","","- C214 H248 Cl4 Mn12 N28 O58 -","- C214 H248 Cl4 Mn12 N28 O58 -","- C428 H496 Cl8 Mn24 N56 O116 -","2","0.25","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0983","0.0877","","","0.2198","0.2261","","","","","","1.099","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212620","31.652","0.006","13.133","0.003","17.79","0.004","90","","112.62","0.03","90","","6826","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cu2 F12 N12 P2 S6 -","- C66 H58 Cu2 F12 N12 P2 S6 -","- C264 H232 Cu8 F48 N48 P8 S24 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0513","0.0458","","","0.1126","0.116","","","","","","1.117","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212621","8.15","0.0002","9.9823","0.0002","24.1761","0.0005","90","","95.3134","0.001","90","","1958.41","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0703","0.0338","","0.0595","0.0408","0.0408","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212622","13.116","0.0005","15.6202","0.0004","15.8881","0.0005","64.7657","0.0019","74.9436","0.0017","82.34","0.002","2842.41","0.17","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H42 Cu2 F12 N10 O4 P2 S6 -","- C46 H42 Cu2 F12 N10 O4 P2 S6 -","- C92 H84 Cu4 F24 N20 O8 P4 S12 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.121","0.0673","","0.0928","0.0518","0.0518","","","","","","0.9867","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212623","8.8298","0.0003","9.2158","0.0003","16.7316","0.0006","95.463","0.002","99.365","0.001","106.123","0.001","1276.29","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl4 Cu N4 O S2 -","- C22 H22 Cl4 Cu N4 O S2 -","- C44 H44 Cl8 Cu2 N8 O2 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.025","0.0212","","0.0216","0.0189","0.0189","","","","","","1.0669","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212624","10.7126","0.0008","13.4955","0.001","7.1375","0.0006","90","","107.011","0.003","90","","986.74","0.13","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.143","0.1118","","0.0992","0.0915","0.0899","","","","","","0.8362","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212625","13.7648","0.0002","13.7648","0.0002","23.6808","0.0006","90","","90","","90","","4486.79","0.15","173","","173","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C44 H40 Cu F6 N8 P S4 -","- C44 H40 Cu F6 N8 P S4 -","- C176 H160 Cu4 F24 N32 P4 S16 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0583","0.0262","","0.0601","0.0304","0.0304","","","","","","1.0384","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212626","21.0221","0.0013","13.092","0.0006","14.5647","0.0009","90","","109.382","0.007","90","","3781.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F6 P2 -","- C19 H18 F6 P2 -","- C152 H144 F48 P16 -","8","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","1.54178","CuKα","","0.1241","0.1045","","","0.2974","0.3091","","","","","","1.004","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212627","10.496","0.0005","13.6086","0.0006","13.6691","0.0011","87.766","0.005","87.959","0.005","74.793","0.004","1882","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 F6 P2 -","- C19 H18 F6 P2 -","- C76 H72 F24 P8 -","4","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.1447","0.1249","","","0.3227","0.3317","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212628","16.946","0.002","16.946","","14.303","0.002","90","","90","","90","","4107.3","0.8","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C208 H160 N24 P8 -","8","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0487","0.0381","","","0.0793","0.0813","","","","","","1","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212629","12.9268","0.0001","12.2301","0.0001","13.3369","0.0001","90","","91.491","0.001","90","","2107.8","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N P S -","- C26 H22 N P S -","- C104 H88 N4 P4 S4 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0687","0.0509","","","0.1374","0.1434","","","","","","1.015","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212630","9.9669","0.0002","9.9669","","40.3361","0.0006","90","","90","","120","","3470.12","0.09","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H22 F6 P2 -","- C25 H22 F6 P2 -","- C150 H132 F36 P12 -","6","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0538","0.0417","","","0.1038","0.1068","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212631","11.2246","0.0004","19.4426","0.0007","11.2114","0.0004","90","","105.701","0.004","90","","2355.43","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F3 O3 P S -","- C26 H22 F3 O3 P S -","- C104 H88 F12 O12 P4 S4 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0573","0.0363","","","0.0906","0.0955","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212632","9.7892","0.0004","11.4559","0.0006","21.464","0.001","88.629","0.004","86.009","0.003","75.805","0.004","2327.85","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 O3 P S -","- C26 H22 F3 O3 P S -","- C104 H88 F12 O12 P4 S4 -","4","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0974","0.0412","","","0.0605","0.0685","","","","","","0.8","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212633","9.9176","0.0004","13.7706","0.0006","14.1618","0.0006","90","","96.951","0.004","90","","1919.88","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 N6 P2 -","- C48 H38 N6 P2 -","- C96 H76 N12 P4 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0544","0.0395","","","0.1134","0.1186","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212634","9.8685","0.0002","14.9561","0.0004","14.2387","0.0004","90","","97.885","0.002","90","","2081.68","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 N6 P2 -","- C52 H38 N6 P2 -","- C104 H76 N12 P4 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.069","0.0407","","","0.0841","0.0879","","","","","","1.006","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212635","9.5923","0.0005","11.4243","0.0006","12.2741","0.0006","107.982","0.005","90.275","0.004","101.322","0.004","1251.37","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0649","0.0401","","","0.1011","0.1089","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212636","18.438","0.001","14.6101","0.0008","19.745","0.001","90","","93","0.007","90","","5311.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","- C192 H152 F48 N8 O32 P8 S16 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.1628","0.0792","","","0.1899","0.2174","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212637","18.9611","0.0017","9.3533","0.0009","19.6865","0.0018","90","","102.36","0.004","90","","3410.5","0.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Co F12 N6 O2 P2 -","- C32 H26 Co F12 N6 O2 P2 -","- C128 H104 Co4 F48 N24 O8 P8 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.1464","0.0738","","0.2162","0.1845","0.2162","","","","","","0.9258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212638","14.7647","0.0004","13.8679","0.0003","19.3849","0.0005","90","","110.805","0.0011","90","","3710.36","0.16","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 Br3 Co N7 O3 -","- C36 H35 Br3 Co N7 O3 -","- C144 H140 Br12 Co4 N28 O12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0905","0.0511","","0.0765","0.0567","0.0567","","","","","","1.0274","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212639","10.5795","0.0004","13.4992","0.0004","20.4174","0.0008","72.619","0.002","89.8082","0.0017","78.331","0.002","2720.17","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41.5 Co F18 N8.5 O2 P3 -","- C41 H41.5 Co F18 N8.5 O2 P3 -","- C82 H83 Co2 F36 N17 O4 P6 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.1277","0.0598","","0.1008","0.0645","0.0705","","","","","","1.1113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212640","16.7813","0.0007","12.3488","0.0005","19.8304","0.0008","90","","90","","90","","4109.4","0.3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H29 Co F18 N7 O2 P3 -","- C34 H29 Co F18 N7 O2 P3 -","- C136 H116 Co4 F72 N28 O8 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0573","0.0442","","0.0557","0.048","0.048","","","","","","1.1536","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212641","8.94","0.0013","8.94","0.0013","20.236","0.004","90","","90","","90","","1617.3","0.5","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H20 Cl2 Co F12 N6 P2 -","- C30 H20 Cl2 Co F12 N6 P2 -","- C60 H40 Cl4 Co2 F24 N12 P4 -","2","0.25","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0335","0.0319","","","0.0806","0.0823","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212642","15.7364","0.0003","15.6546","0.0003","19.2908","0.0004","90","","107.777","0.001","90","","4525.32","0.16","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Co F12 N7 O3 P2 -","- C42 H47 Co F12 N7 O3 P2 -","- C168 H188 Co4 F48 N28 O12 P8 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0697","0.0387","","0.0556","0.0424","0.0424","","","","","","1.0788","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212643","15.7438","0.0004","16.2492","0.0004","16.5825","0.0004","79.123","0.001","79.064","0.001","79.62","0.001","4044.22","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Co F12 N7 O2 P2 -","- C38 H37 Co F12 N7 O2 P2 -","- C152 H148 Co4 F48 N28 O8 P8 -","4","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0782","0.0422","","0.078","0.0511","0.0511","","","","","","1.1267","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212644","16.3767","0.0006","12.2742","0.0004","19.5992","0.0007","90","","90","","90","","3939.7","0.2","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H23 Cl2 Co F18 N7 P3 -","- C32 H23 Cl2 Co F18 N7 P3 -","- C128 H92 Cl8 Co4 F72 N28 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0341","0.0309","","0.039","0.0364","0.0356","","","","","","1.0876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212645","11.3947","0.0008","17.8294","0.0013","20.2985","0.0015","89.555","0.004","87.865","0.004","83.293","0.004","4092.8","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29.5 Co F18 N8.5 P3 -","- C35 H29.5 Co F18 N8.5 P3 -","- C140 H118 Co4 F72 N34 P12 -","4","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0467","0.0316","","0.057","0.0322","0.0322","","","","","","1.0986","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212646","12.3479","0.0005","12.3479","0.0005","49.146","0.002","90","","90","","90","","7493.3","0.5","123","","123","","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H28 Co F12 N8 P2 -","- C34 H28 Co F12 N8 P2 -","- C272 H224 Co8 F96 N64 P16 -","8","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0588","0.0484","","0.0658","0.0504","0.0465","","","","","","1.0941","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212647","13.416","0.0013","20.1202","0.0018","30.775","0.003","90","","90","","90","","8307.2","1.4","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H33 Co F18 N7 O2 P3 -","- C36 H33 Co F18 N7 O2 P3 -","- C288 H264 Co8 F144 N56 O16 P24 -","8","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.045","0.0381","","0.1291","0.0593","0.0507","","","","","","1.1507","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212648","7.4001","0.0004","19.4843","0.0009","10.4745","0.0005","90","","94.216","0.001","90","","1506.19","0.13","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H34 Ge3 Mn3 N8 O S9 -","- C8 H34 Ge3 Mn3 N8 O S9 -","- C16 H68 Ge6 Mn6 N16 O2 S18 -","2","0.5","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.035","0.0276","","","0.071","0.0738","","","","","","1.075","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212649","10.122","0.003","13.308","0.005","9.63","0.003","90","","103.31","0.005","90","","1262.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Mn N4 S3 Sn -","- C4 H16 Mn N4 S3 Sn -","- C16 H64 Mn4 N16 S12 Sn4 -","4","1","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.0601","0.058","","","0.1979","0.1992","","","","","","1.16","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212650","13.9131","0.0008","14.4528","0.0009","20.545","0.001","76.206","0.001","74.406","0.001","64.936","0.001","3567.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Cu2 N6 O15 -","- C30 H30 Cl2 Cu2 N6 O15 -","- C120 H120 Cl8 Cu8 N24 O60 -","4","2","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0911","0.062","","","0.1626","0.1835","","","","","","1.026","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212651","23.752","0.002","23.752","","14.2281","0.0012","90","","90","","120","","6951.5","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","[Cu3(OX1)2(MeCN)3](ClO4)3","","- C36 H39 Cl3 Cu3 N9 O18 -","- C36 H39 Cl3 Cu3 N9 O18 -","- C216 H234 Cl18 Cu18 N54 O108 -","6","0.333333","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1065","0.0551","","","0.088","0.1034","","","","","","0.891","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212652","22.988","0.011","25.016","0.012","13.119","0.005","90","","90","","90","","7544","6","200","","200","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","[Cu2Cl(OX1)2](ClO4)-9/4(H2O)-3/4(CH3CN)","","- C31.5 H36.75 Cl2 Cu2 N6.75 O12.25 -","- C31.5 H32.25 Cl2 Cu2 N6.75 O12.25 -","- C252 H258 Cl16 Cu16 N54 O98 -","8","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71075","MoKα","","0.2272","0.1452","","","0.3738","0.4192","","","","","","1.299","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212653","7.0086","0.0006","12.9662","0.0011","13.0105","0.0011","118.629","0.001","93.004","0.001","99.665","0.001","1010.92","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Cl2 Cu2 N8 O16 -","- C34 H40 Cl2 Cu2 N8 O16 -","- C34 H40 Cl2 Cu2 N8 O16 -","1","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0541","0.0449","","","0.1107","0.1148","","","","","","0.979","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212654","7.145","0.009","11.1913","0.0015","11.4001","0.0016","85.809","0.003","76.365","0.003","77.003","0.003","863","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Br2 Cu2 N3 O3 -","- C15 H15 Br2 Cu2 N3 O3 -","- C30 H30 Br4 Cu4 N6 O6 -","2","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0786","0.0517","","","0.1198","0.1318","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212655","14.0625","0.0013","21.702","0.002","13.4908","0.0013","90","","90","","90","","4117.2","0.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C34 H36 Br4 Cu4 N8 O6 -","- C34 H36 Br4 Cu4 N8 O6 -","- C136 H144 Br16 Cu16 N32 O24 -","4","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1368","0.1028","","","0.1761","0.1897","","","","","","1.203","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212656","8.849","0.0007","13.869","0.001","10.818","0.0008","90","","90","","90","","1327.66","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 N2 O8 P2 Zn -","- C6 H11 N2 O8 P2 Zn -","- C24 H44 N8 O32 P8 Zn4 -","4","1","","Feng, Jing-Dong; Tang, Shu-Wei; Shao, Kui-Zhan; Wang, Rong-Shun; Yao, Chan; Xie, Hai-Ming; Su, Zhong-Min","Helical channels, low framework density and structure-directing effect: a novel non-centrosymmetric zinc phosphate NIS-4 prepared by ionothermal reaction","CrystEngComm","2010","12","11","3448","","10.1039/c002882g","","","0.71069","MoKα","","0.0258","0.0245","","","0.0658","0.0663","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212657","5.6975","0.0004","16.886","0.0013","11.0191","0.0005","90","","101.594","0.004","90","","1038.49","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mpp","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1424","0.0664","","","0.1546","0.2015","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212658","8.1453","0.0006","9.1925","0.0008","14.5347","0.0015","87.088","0.005","88.102","0.006","76.456","0.006","1056.41","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mmp","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1372","0.0661","","","0.1464","0.1829","","","","","","1.012","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212659","6.1091","0.0004","25.558","0.002","7.7455","0.0002","90","","111.7","0.002","90","","1123.65","0.12","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","Mop","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1104","0.0556","","","0.1291","0.161","","","","","","1.021","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212660","5.2023","0.0002","7.7661","0.0004","26.5219","0.0012","89.078","0.003","89.687","0.003","90.024","0.002","1071.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","Mpm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","4","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.092","0.0592","","","0.1334","0.1538","","","","","","1.05","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212661","9.4025","0.0004","9.864","0.0005","12.4783","0.0007","86.077","0.002","85.8","0.003","69.39","0.003","1079.21","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mmm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1624","0.0763","","","0.1873","0.2535","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212662","11.517","0.0002","10.48","0.0003","9.196","0.0003","90","","90","","90","","1109.94","0.05","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Mom","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0574","0.0405","","","0.0862","0.0964","","","","","","1.106","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212663","5.9079","0.0003","7.714","0.0004","12.2606","0.0008","97.406","0.002","94.029","0.002","107.463","0.002","525.04","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mpo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0471","0.0389","","","0.1028","0.1087","","","","","","1.049","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212664","5.148","0.0003","13.9239","0.0014","15.0042","0.0013","90","","98","0.005","90","","1065.04","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mmo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1358","0.0654","","","0.1544","0.1954","","","","","","1.023","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212665","7.2376","0.0004","8.5035","0.0006","9.0024","0.0005","92.327","0.003","97.349","0.003","95.259","0.003","546.42","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Moo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0867","0.0626","","","0.1627","0.1844","","","","","","1.077","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212666","9.844","0.0002","19.4582","0.0005","39.7503","0.0009","78.821","0.002","88.8704","0.0019","88.114","0.002","7464.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","25, 26. 27. 28-tetratetrdecoxycalix(4)arene","","","- C84 H136 O4 -","- C84 H136 O4 -","- C336 H544 O16 -","4","2","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54184","CuKα","","0.107","0.0612","","","0.1619","0.1881","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212667","16.2891","0.0003","43.0728","0.0006","19.5152","0.0003","90","","90.418","0.002","90","","13691.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","25,26,27,28-tetradodecoxycalix(4)arene","","","- C76 H120 O4 -","- C76 H120 O4 -","- C608 H960 O32 -","8","4","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.1027","0.0894","","","0.234","0.255","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212668","16.7708","0.0005","18.7282","0.0004","29.5329","0.0006","90.194","0.002","97.457","0.002","91.695","0.002","9193.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","25, 26. 27. 28-tetrahexadecoxycalix(4)arene","","","- C92 H162 O9 -","- C92 H152 O9 -","- C368 H608 O36 -","4","2","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.3621","0.1041","","","0.2066","0.2629","","","","","","1.017","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212669","13.7352","0.0011","13.7352","0.0011","3.634","0.0004","90","","90","","90","","685.57","0.11","150","2","150","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Cl6 Co N2 -","- C10 H6 Cl6 Co N2 -","- C20 H12 Cl12 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.0307","0.0288","","","0.0888","0.0896","","","","","","1.179","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212670","13.7871","0.001","13.7871","0.001","3.7439","0.0006","90","","90","","90","","711.66","0.14","150","2","150","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Br4 Cl2 Co N2 -","- C10 H6 Br4 Cl2 Co N2 -","- C20 H12 Br8 Cl4 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.031","0.0288","","","0.0902","0.0918","","","","","","1.129","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212671","12.036","0.003","15.301","0.004","16.906","0.005","108.3","0.005","101.394","0.004","102.28","0.005","2768.6","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H50 Co3 O24 -","- C66 H50 Co3 O24 -","- C66 H50 Co3 O24 -","1","0.5","","Liang, Li-Li; Ren, Shi-Bin; Wang, Jun; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A 3-dimensional coordination polymer with a fluorite structure constructed from a semi-rigid tetrahedral ligand","CrystEngComm","2010","12","10","2669","","10.1039/c003203d","","","0.71073","MoKα","","0.0764","0.055","","","0.1183","0.1236","","","","","","1.028","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212672","15.826","0.0009","22.4438","0.0013","25.4429","0.0016","90","","90","","90","","9037.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H135 Co N14 O37.5 P -","- C63 H88 Co N14 O23 P -","- C252 H352 Co4 N56 O92 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.71073","synchrotron","","0.0932","0.0731","","","0.206","0.2254","","","","","","1.021","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212673","15.9455","0.0004","21.0511","0.0005","23.8739","0.0008","90","","90","","90","","8013.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H132 Co N14 O36 P -","- C63 H88 Co N14 O36 P -","- C252 H352 Co4 N56 O144 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.72","synchrotron","","0.0968","0.0665","","","0.1837","0.2165","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212675","12.595","0.003","17.501","0.005","23.862","0.006","89.857","0.005","77.873","0.005","69.836","0.005","4813","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H87 Ba Cl2 F9 O30 P8 -","- C76 H76 Ba Cl2 F6 O29 P8 -","- C152 H152 Ba2 Cl4 F12 O58 P16 -","2","1","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.0985","0.0642","","","0.1642","0.1824","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212676","12.6644","0.0017","13.9674","0.0019","16.164","0.002","106.558","0.002","112.004","0.002","97.153","0.003","2453.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H92 Ca Cl2 F12 O32 P8 -","- C80 H80 Ca Cl2 F12 O32 P8 -","- C80 H80 Ca Cl2 F12 O32 P8 -","1","0.5","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.1437","0.073","","","0.1974","0.2291","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212677","12.7839","0.0007","18.1535","0.001","26.2766","0.0014","78.81","0.001","83.73","0.001","70.891","0.001","5645.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H109 Cl4 F15 O40 P8 Zn2 -","- C76 H76 Cl4 F6 O37 P8 Zn2 -","- C152 H152 Cl8 F12 O74 P16 Zn4 -","2","1","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.0762","0.0516","","","0.146","0.1537","","","","","","0.998","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212678","11.9041","0.0018","14.8949","0.0022","18.2861","0.0027","103.601","0.011","90.669","0.01","98.66","0.011","3111.7","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H88 Co4 N44 -","- C152 H88 Co4 N44 -","- C152 H88 Co4 N44 -","1","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.185","0.0455","","","0.0397","0.0465","","","","","","0.993","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212679","11.597","0.002","13.436","0.003","14.524","0.003","103.62","0.02","98.36","0.01","94.92","0.01","2159.1","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H60 Co3 N30 -","- C108 H60 Co3 N30 -","- C108 H60 Co3 N30 -","1","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.0986","0.0356","","","0.0449","0.048","","","","","","0.964","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212680","9.5301","0.0019","19.6721","0.0037","9.1369","0.0018","90","","111.26","0.01","90","","1596.4","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Fe N12 -","- C40 H24 Fe N12 -","- C80 H48 Fe2 N24 -","2","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.0911","0.0368","","","0.0571","0.0625","","","","","","1.01","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212681","9.6352","0.0004","4.9435","0.0002","12.8853","0.0005","90","","121.808","0.002","90","","521.57","0.04","293","","293","","850000","","850000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.1443","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212682","9.712","0.005","4.9755","0.002","13.107","0.006","90","","121.849","0.025","90","","538","0.5","293","","293","","250000","","250000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.2005","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212683","7.5435","0.0005","12.3178","0.0007","12.6712","0.0008","98.008","0.005","98.363","0.004","97.634","0.004","1139.35","0.13","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 F5 N -","- C13 H8 F5 N -","- C52 H32 F20 N4 -","4","2","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.1389","0.07","","","0.1142","0.1417","","","","","","1.066","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212684","11.5483","0.0003","7.7905","0.0002","7.7488","0.0002","90","","101.708","0.002","90","","682.63","0.03","123","0.1","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br F5 N -","- C13 H9 Br F5 N -","- C26 H18 Br2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0223","0.0201","","","0.0438","0.0445","","","","","","1.08","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212685","14.1734","0.0003","7.3775","0.0002","14.4255","0.0003","90","","112.497","0.002","90","","1393.6","0.06","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl F5 N -","- C13 H8 Br Cl F5 N -","- C52 H32 Br4 Cl4 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0305","0.0235","","","0.0492","0.0519","","","","","","1.051","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212686","7.778","0.0001","24.2111","0.0005","7.792","0.0001","90","","90","","90","","1467.34","0.04","123","0.1","123","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Br2 F5 N -","- C13 H8 Br2 F5 N -","- C52 H32 Br8 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0419","0.0352","","","0.0669","0.0691","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212687","11.7935","0.0006","7.5988","0.0003","7.5838","0.0003","90","","103.138","0.003","90","","661.84","0.05","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Cl F5 N -","- C13 H9 Cl F5 N -","- C26 H18 Cl2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71069","MoKα","","0.0404","0.0356","","","0.0746","0.0763","","","","","","1.042","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212688","17.701","0.003","8.7379","0.0014","15.466","0.003","90","","90.585","0.003","90","","2392","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 Br8 Co N10 O10 -","- C44 H24 Br8 Co N10 O10 -","- C88 H48 Br16 Co2 N20 O20 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0415","0.0318","","","0.0804","0.0844","","","","","","1.048","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212689","7.9351","0.0004","11.3444","0.0005","12.949","0.0006","100.774","0.001","107.342","0.001","101.24","0.001","1053.28","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br4 N8 Ni O13 -","- C34 H28 Br4 N8 Ni O13 -","- C34 H28 Br4 N8 Ni O13 -","1","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0453","0.0324","","","0.0778","0.0847","","","","","","1.049","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212690","8.1293","0.0009","10.9582","0.0011","11.4728","0.0012","63.567","0.002","76.532","0.002","86.007","0.001","889.33","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Br4 N8 O10 Zn -","- C32 H24 Br4 N8 O10 Zn -","- C32 H24 Br4 N8 O10 Zn -","1","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0257","0.022","","","0.0523","0.0537","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212691","10.891","0.002","12.402","0.003","15.103","0.003","78.95","0.004","71.012","0.004","64.975","0.004","1744.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 Ag Br4 N8 O7 -","- C32 H19 Ag Br4 N8 O7 -","- C64 H38 Ag2 Br8 N16 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0717","0.0377","","","0.0888","0.112","","","","","","1.072","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212692","10.8691","0.0008","12.3897","0.0009","15.1065","0.001","78.961","0.001","71.045","0.001","64.99","0.001","1740.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 Br4 Cd N8 O7 -","- C32 H18 Br4 Cd N8 O7 -","- C64 H36 Br8 Cd2 N16 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0464","0.0278","","","0.0487","0.0603","","","","","","1.06","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212693","8.2722","0.0004","27.6453","0.0011","11.1959","0.0005","90","","93.561","0.001","90","","2555.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br4 Cu N4 O7 -","- C21 H14 Br4 Cu N4 O7 -","- C84 H56 Br16 Cu4 N16 O28 -","4","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0408","0.0292","","","0.0626","0.0668","","","","","","1.046","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212694","11.398","0.004","12.337","0.004","12.667","0.004","65.774","0.005","75.569","0.005","75.861","0.004","1552.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Br4 N5 O8 Zn -","- C23 H17 Br4 N5 O8 Zn -","- C46 H34 Br8 N10 O16 Zn2 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0823","0.0598","","","0.1677","0.1776","","","","","","0.999","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212695","11.691","0.002","13.201","0.002","16.25","0.003","90","","98.032","0.003","90","","2483.3","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H8 Br4 N4 O5 Pb -","- C20 H8 Br4 N4 O5 Pb -","- C80 H32 Br16 N16 O20 Pb4 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0483","0.0385","","","0.0956","0.1016","","","","","","1.041","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212696","31.9495","0.0006","7.3661","0.0002","20.7736","0.0006","90","","125.116","0.001","90","","3999.09","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 N6 O2 S8 -","- C42 H24 N6 O2 S8 -","- C168 H96 N24 O8 S32 -","4","0.5","","Dias, Sandra I. G.; Rabaça, Sandra; Santos, Isabel C.; Wallis, John D.; Almeida, Manuel","A unique co-crystallisation motif for bis(4-pyridyl)acetylene involving S⋯spC interactions with a fused 1,3-dithiole ring","CrystEngComm","2010","12","11","3397","","10.1039/c003838e","","","0.71069","MoKα","","0.0494","0.0356","","","0.0831","0.0889","","","","","","1.027","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212703","5.9527","0.0003","13.0441","0.0006","19.5781","0.001","90","","90","","90","","1520.19","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.0264","","","0.0747","0.0771","","","","","","1.042","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212704","9.4887","0.0007","7.4979","0.0005","18.1593","0.0012","90","","91.634","0.006","90","","1291.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O5 Pb S -","- C10 H10 O5 Pb S -","- C40 H40 O20 Pb4 S4 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0281","0.0247","","","0.0585","0.0603","","","","","","1.062","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212705","10.143","0.002","12.709","0.003","16.795","0.004","90","","107.036","0.004","90","","2070","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ca O9 Pb S -","- C18 H14 Ca O9 Pb S -","- C72 H56 Ca4 O36 Pb4 S4 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0397","0.0342","","","0.0903","0.0921","","","","","","1.023","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212706","21.118","0.0004","21.118","0.0004","9.4092","0.0003","90","","90","","90","","4196.22","0.17","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C18 H16 Ca O12 Pb -","- C18 H16 Ca O12 Pb -","- C144 H128 Ca8 O96 Pb8 -","8","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.029","","","0.0729","0.0733","","","","","","1.047","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212707","9.8108","0.0005","10.4971","0.0004","12.3568","0.0005","68.336","0.008","87.529","0.009","68.261","0.008","1092.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 N O10 Pb Sr -","- C18 H7 N O10 Pb Sr -","- C36 H14 N2 O20 Pb2 Sr2 -","2","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0495","0.0428","","","0.1106","0.1163","","","","","","1.016","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212708","11.4429","0.0014","23.6717","0.0014","8.166","0.0009","90","","128.596","0.004","90","","1728.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Ca O14 Pb S4 -","- C32 H28 Ca O14 Pb S4 -","- C64 H56 Ca2 O28 Pb2 S8 -","2","0.25","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0354","0.035","","","0.0928","0.0934","","","","","","1.097","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212712","21.619","0.008","21.619","0.008","14.104","0.005","90","","90","","120","","5709","4","223","2","223","2","","","","","","","","5","P 6/m m m","-P 6 2","191","Kagome_bpy","","","- C26 H20 N2 O10 Zn2 -","- C26 H16 N2 O8 Zn2 -","- C78 H48 N6 O24 Zn6 -","3","0.125","","Kondo, Mio; Takashima, Yohei; Seo, Joobeom; Kitagawa, Susumu; Furukawa, Shuhei","Control over the nucleation process determines the framework topology of porous coordination polymers","CrystEngComm","2010","12","8","2350","","10.1039/c004066e","","","0.71075","MoKα","","0.0929","0.0852","","","0.2446","0.2555","","","","","","1.148","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212714","19.652","0.003","19.652","0.003","22.048","0.004","90","","90","","120","","7374","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Tb4 -","- C30 H62.01 O43 Tb4 -","- C180 H372.06 O258 Tb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0714","0.0585","","","0.1324","0.1408","","","","","","1.052","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212715","19.6388","0.0011","19.6388","0.0011","21.9696","0.0014","90","","90","","120","","7338.1","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Yb4 -","- C30 H62.01 O43 Yb4 -","- C180 H372.06 O258 Yb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.084","0.0678","","","0.1668","0.1811","","","","","","1.019","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212716","19.4352","0.0018","19.4352","0.0018","22.025","0.002","90","","90","","120","","7204.8","1.1","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 Dy4 O43 -","- C30 H62.01 Dy4 O43 -","- C180 H372.06 Dy24 O258 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0768","0.052","","","0.1111","0.1231","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212717","11.59","0.003","13.984","0.004","20.498","0.006","105.457","0.006","105.167","0.006","91.229","0.007","3075.6","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 B2 Fe3 N22 O5 -","- C42 H58 B2 Fe3 N20 O2 -","- C84 H116 B4 Fe6 N40 O4 -","2","1","","Mitsumoto, Kiyotaka; Ui, Mayumi; Nihei, Masayuki; Nishikawa, Hiroyuki; Oshio, Hiroki","Single chain magnet of a cyanide bridged FeII/FeIII complex","CrystEngComm","2010","12","10","2697","","10.1039/c004351f","","","0.71073","MoKα","","0.154","0.0908","","","0.2177","0.2433","","","","","","0.909","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212718","7.4451","0.0004","5.9568","0.0003","24.7267","0.0013","90","","96.319","0.001","90","","1089.94","0.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-2-naphthoic acid 1,4-dioxane solvate","","- C13 H8 O4 -","- C13 H8 O4 -","- C52 H32 O16 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0656","0.0565","","","0.1781","0.1899","","","","","","1.084","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212719","9.4013","0.001","10.0069","0.0011","12.2414","0.0013","95.15","0.002","109.037","0.002","90.332","0.002","1083.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-hydroxy-2-naphthoic acid dimethyl sulphoxide solvate","","- C24 H14 O7 S -","- C24 H14 O7 S -","- C48 H28 O14 S2 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0932","0.0685","","","0.1843","0.2046","","","","","","1.041","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212720","9.188","0.0018","10.003","0.002","35.207","0.007","90","","91.23","0.03","90","","3235","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C17 H23 N2 O4.5 -","- C17 H23 N2 O4.5 -","- C136 H184 N16 O36 -","8","2","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0757","0.0551","","","0.1526","0.1671","","","","","","1.044","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212721","10.768","0.002","24.064","0.005","9.5656","0.0019","90","","100.12","0.03","90","","2440.1","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C112 H112 N8 O24 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0531","0.0418","","","0.1094","0.118","","","","","","1.029","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212722","8.6982","0.0017","11.373","0.002","11.82","0.002","85.52","0.03","81.69","0.03","87.04","0.03","1152.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2C11H8O3.C6H12N2","3-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C56 H56 N4 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.1777","0.0739","","","0.1195","0.1587","","","","","","1.031","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212723","11.469","0.002","11.969","0.002","13.097","0.003","94.36","0.03","102.67","0.03","95.74","0.03","1736.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 Br2 Cl Cu N7 S2 -","- C29 H26 Br2 Cl Cu N7 S2 -","- C58 H52 Br4 Cl2 Cu2 N14 S4 -","2","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.71073","MoKα","","0.0739","0.0423","","","0.0988","0.1084","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212724","8.3369","0.0007","13.57","0.0011","28.493","0.002","90","","90","","90","","3223.5","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl Cu N9 O6 S2 -","- C29 H26 Cl Cu N9 O6 S2 -","- C116 H104 Cl4 Cu4 N36 O24 S8 -","4","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.7749","synchrotron","","0.0862","0.0771","","","0.1818","0.1853","","","","","","1.229","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212725","27.4547","0.0019","11.8188","0.0007","25.088","0.002","90","","103.849","0.002","90","","7903.9","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cu2 N24 O19 S6 -","- C60 H76 Cu2 N24 O19 S6 -","- C240 H304 Cu8 N96 O76 S24 -","4","0.5","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.6911","synchrotron","","0.1051","0.0588","","","0.1637","0.184","","","","","","0.965","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212726","7.6928","0.0015","8.8062","0.0018","11.575","0.002","93.04","0.03","108.7","0.03","91.72","0.03","740.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form I cocrystal of ethenzamide with ethylmalonic acid","Form I cocrystal of ethenzamide with ethylmalonic acid","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C28 H38 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.0478","0.0458","","","0.118","0.1199","","","","","","1.117","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212727","14.501","0.003","7.6438","0.0015","14.323","0.003","90","","108.45","0.03","90","","1506","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II of ethenzamide and ethylmalonic acid cocrystal","Form II of ethenzamide and ethylmalonic acid cocrystal","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.1071","0.0962","","","0.2261","0.2345","","","","","","1.286","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212728","14.463","0.003","7.6366","0.0015","14.296","0.003","90","","108.42","0.03","90","","1498.1","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II cocrystal of 1:1 ethenzamide and ethylmalonic acid cocrystal","Form II of ethenzamide and ethylmalonic acid cocrystal","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.0688","0.0611","","","0.1403","0.1456","","","","","","1.157","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212729","23.717","0.006","23.717","0.006","22.033","0.008","90","","90","","120","","10733","5","273","2","273","2","","","","","","","","8","P 6/m c c","-P 6 2c","192","","","","- C54 H24 Cu3 N6 O50 S12 V3.96 W8.04 -","- C54 H24 Cu3 N6 O50 S12 V3.96 W8.04 -","- C108 H48 Cu6 N12 O100 S24 V7.92 W16.08 -","2","0.0833333","","Wang, Chunling; Ren, Yuanhang; Du, Chengbo; Yue, Bin; Kong, Zuping; Weng, Linhong; He, Heyong","Honeycomb nanoscale-porous material constructed from copper complexes and mixed-addenda Lindqvist-type polyoxoanions","CrystEngComm","2010","12","11","3522","","10.1039/c004543h","","","0.71073","MoKα","","0.1766","0.0728","","","0.2401","0.3215","","","","","","0.919","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212730","26.172","0.005","15.846","0.003","20.566","0.007","90","","110.119","0.002","90","","8009","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H0 Ag4 N16 O40 Si W12 -","- C40 Ag4 N16 O40 Si W12 -","- C160 Ag16 N64 O160 Si4 W48 -","4","1","","Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong","A new IR non-linear optical material with 2D 3-fold interpenetrated topology","CrystEngComm","2010","12","11","3490","","10.1039/c004554c","","","0.71073","MoKα","","0.0489","0.0451","","","0.1113","0.1142","","","","","","1.067","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212733","9.6852","0.0019","10.65","0.002","12.977","0.003","112.61","0.03","90.52","0.03","104.61","0.03","1187.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 Zn -","- C28 H22 N2 O6 Zn -","- C56 H44 N4 O12 Zn2 -","2","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0547","0.042","","","0.0832","0.0894","","","","","","1.017","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212734","15.026","0.003","14.484","0.003","12.991","0.003","90","","115.46","0.03","90","","2552.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 O6 Zn -","- C29 H20 N2 O6 Zn -","- C116 H80 N8 O24 Zn4 -","4","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0665","0.054","","","0.1073","0.1135","","","","","","1.123","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212735","33.118","0.007","9.5908","0.0019","16.897","0.003","90","","113.47","0.03","90","","4923","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C224 H168 N24 O56 Zn8 -","8","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0891","0.0694","","","0.1416","0.1499","","","","","","1.186","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212736","29.578","0.006","9.6718","0.0019","18.389","0.004","90","","111.71","0.03","90","","4887","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.1339","0.0866","","","0.2053","0.2396","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212738","13.3285","0.002","18.0188","0.0012","17.3305","0.0012","90","","90","","90","","4162.2","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H4 Au N4 Na O4 S6 -","- C12 H4 Au N4 Na O4 S6 -","- C96 H32 Au8 N32 Na8 O32 S48 -","8","1","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0757","0.032","","","0.0743","0.0818","","","","","","0.99","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212739","7.4087","0.0005","9.1583","0.0006","10.1717","0.0007","63.777","0.001","76.735","0.001","86.033","0.001","602.2","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Au N4 Na O4 S6 -","- C16 H20 Au N4 Na O4 S6 -","- C16 H20 Au N4 Na O4 S6 -","1","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0155","0.0155","","","0.0401","0.0401","","","","","","1.125","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212740","8.4687","0.0007","8.6531","0.0007","9.2081","0.0007","106.467","0.001","95.289","0.001","98.941","0.001","632.59","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Au N6 Na O2 S6 -","- C18 H18 Au N6 Na O2 S6 -","- C18 H18 Au N6 Na O2 S6 -","1","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0172","0.0172","","","0.0434","0.0434","","","","","","1.073","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212741","12.9803","0.0014","10.1794","0.0011","8.4481","0.0009","90","","102.981","0.002","90","","1087.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Au N6 Na S6 -","- C16 H10 Au N6 Na S6 -","- C32 H20 Au2 N12 Na2 S12 -","2","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0248","0.0218","","","0.046","0.0471","","","","","","1.069","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212742","12.502","0.003","20.211","0.004","9.1833","0.0018","90","","112.49","0.03","90","","2143.9","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Ag2 N6 O5 -","- C16 H23 Ag2 N6 O5 -","- C64 H92 Ag8 N24 O20 -","4","0.5","","Sun, Di; Xu, Qin-Juan; Ma, Chun-Yin; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Self-assembly, thermal stability and photoluminescence of two mixed-ligand silver(i) networks via 2D →2D and 2D →3D parallel interpenetration of (4,4) nets","CrystEngComm","2010","12","12","4161","","10.1039/c0ce00017e","","","0.71073","MoKα","","0.0973","0.0593","","","0.1264","0.1417","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212743","11.699","0.002","11.427","0.002","18.68","0.004","90","","108.18","0.03","90","","2372.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Ag2 N6 O6 -","- C20 H26 Ag2 N6 O6 -","- C80 H104 Ag8 N24 O24 -","4","1","","Sun, Di; Xu, Qin-Juan; Ma, Chun-Yin; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Self-assembly, thermal stability and photoluminescence of two mixed-ligand silver(i) networks via 2D →2D and 2D →3D parallel interpenetration of (4,4) nets","CrystEngComm","2010","12","12","4161","","10.1039/c0ce00017e","","","0.71073","MoKα","","0.0555","0.0353","","","0.0778","0.0858","","","","","","0.999","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212744","9.2609","0.0002","11.1853","0.0003","11.6126","0.0003","61.935","0.001","89.574","0.001","88.945","0.002","1061.28","0.05","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H21 As I2 -","- C21 H21 As I2 -","- C42 H42 As2 I4 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.097","0.0673","","","0.1538","0.1791","","","","","","1.143","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212745","11.0385","0.0006","13.8805","0.0008","13.4773","0.0009","90","","90","","90","","2065","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.0799","0.0597","","","0.1512","0.1708","","","","","","1.129","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212746","11.619","0.0003","12.2125","0.0003","18.4827","0.0005","90","","126.564","0.001","90","","2106.48","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 As I2 -","- C21 H21 As I2 -","- C84 H84 As4 I8 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.121","0.0809","","","0.2018","0.238","","","","","","1.186","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212747","11.4271","0.0004","12.1665","0.0005","18.3475","0.0007","90","","126.422","0.002","90","","2052.55","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1287","0.074","","","0.146","0.1832","","","","","","1.193","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212748","13.8475","0.0002","19.8474","0.0002","27.5","0.0004","90","","90","","90","","7558.01","0.17","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C336 H336 As16 Au16 Cl16 -","16","2","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1032","0.0674","","","0.1647","0.1894","","","","","","1.206","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212749","17.5637","0.0005","23.2693","0.0006","17.8248","0.0004","90","","91.029","0.002","90","","7283.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 Co F12 N10 O6 P2 -","- C64 H70 Co F12 N10 O6 P2 -","- C256 H280 Co4 F48 N40 O24 P8 -","4","1","","Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.","Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly","CrystEngComm","2010","12","11","3422","","10.1039/c0ce00036a","","","0.71073","MoKα","","0.2357","0.0695","","","0.1772","0.2158","","","","","","0.796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212750","26.0796","0.0003","26.0796","0.0003","17.9843","0.0005","90","","90","","90","","12231.9","0.4","123","2","123","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C140 H106 Cl4 Co F12 N30 P2 -","- C140 H106 Cl4 Co F12 N30 P2 -","- C560 H424 Cl16 Co4 F48 N120 P8 -","4","0.25","","Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.","Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly","CrystEngComm","2010","12","11","3422","","10.1039/c0ce00036a","","","0.71073","MoKα","","0.151","0.0869","","","0.2372","0.2916","","","","","","1.039","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212751","13.7595","0.0006","14.2594","0.0006","10.4876","0.0004","90","","115.367","0.001","90","","1859.29","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2- hydroxybenzylidene)hydrazinecarbothioamide 0.17hydrate","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.17hydrate","","- C8 H9.34 N3 O1.17 S -","- C8 H9.34 N3 O1.17 S -","- C64 H74.72 N24 O9.36 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0385","0.0341","","","0.0857","0.0888","","","","","","1.066","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212752","13.9737","0.0004","14.2331","0.0004","10.4655","0.0002","90","","115.781","0.002","90","","1874.29","0.09","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.095hydrate","","- C8 H9.19 N3 O1.1 S -","- C8 H9.19 N3 O1.095 S -","- C64 H73.52 N24 O8.76 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0568","0.0391","","","0.0932","0.1028","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212753","13.8383","0.0016","14.3405","0.0017","10.5113","0.0012","90","","114.986","0.004","90","","1890.7","0.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Salicylaldehyde thiosemicarbazone 0.20hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.20hydrate","","- C8 H9.4 N3 O1.2 S -","- C8 H9.4 N3 O1.2 S -","- C64 H75.2 N24 O9.6 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0556","0.0434","","","0.1109","0.1198","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212754","6.6153","0.0014","7.9832","0.0017","11.143","0.003","90","","99.763","0.005","90","","580","0.2","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","AR-1g-3 2-aminopyridine, 4-chlorobenzoic acid","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C24 H22 Cl2 N4 O4 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0322","0.0297","","","0.0771","0.079","","","","","","1.087","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212755","8.2382","0.0006","7.3603","0.0005","17.7902","0.0011","90","","102.979","0.003","90","","1051.16","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","AR-1g-15 2-aminopyridine, HOOC-(CH2)8-COOH","","- C20 H30 N4 O4 -","- C20 H30 N4 O4 -","- C40 H60 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0474","0.04","","","0.11","0.1159","","","","","","1.091","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212756","12.3903","0.0008","5.6871","0.0003","18.029","0.0011","90","","90","","90","","1270.41","0.13","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","AR-cc-1a-1 2-amino-5-bromopyridine, 4-NC-PhCOOH","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C52 H40 Br4 N12 O8 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0409","0.0331","","","0.0735","0.0756","","","","","","0.991","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212757","7.9727","0.0005","6.2956","0.0004","24.6286","0.0015","90","","90.58","0.004","90","","1236.12","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ARcc-1a-aa5 2-amino-5-bromopyridine, 4-nitrobenzoic acid","","- C12 H10 Br N3 O4 -","- C12 H10 Br N3 O4 -","- C48 H40 Br4 N12 O16 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0562","0.0478","","","0.1243","0.1281","","","","","","1.198","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212758","3.9019","0.0002","12.5454","0.0008","16.926","0.001","73.128","0.003","86.428","0.003","85.881","0.003","790.08","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","ARcc-1c-aa6 N-(5-bromo-2-pyridyl)propionamide, 3,4-Cl2-PhCOOH","","- C15 H13 Br Cl2 N2 O3 -","- C15 H13 Br Cl2 N2 O3 -","- C30 H26 Br2 Cl4 N4 O6 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0295","0.025","","","0.0652","0.0674","","","","","","1.037","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212759","5.3172","0.0002","8.6548","0.0003","14.9927","0.0006","101.97","0.002","93.037","0.002","100.816","0.002","659.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N-5-bromo-2-pyridyl)-propionamide)2, octanedioic acid","","- C24 H32 Br2 N4 O6 -","- C24 H32 Br2 N4 O6 -","- C24 H32 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0283","0.023","","","0.0543","0.0567","","","","","","1.001","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212760","4.8333","0.0003","9.5923","0.0005","23.7901","0.0012","90","","90.961","0.002","90","","1102.81","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AR-1c-aa13 [N-(5-bromo-2-pyridyl)propionamide]2, fumaric acid","","- C20 H22 Br2 N4 O6 -","- C20 H22 Br2 N4 O6 -","- C40 H44 Br4 N8 O12 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0423","0.0296","","","0.0628","0.0669","","","","","","1.037","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212761","13.8624","0.0015","13.9754","0.0016","24.726","0.003","95.707","0.008","90.355","0.007","101.437","0.007","4670.2","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","AR-1c-aa-14 N-(5-bromo-2-pyridyl)-propionamide, succinic acid","","- C20 H24 Br2 N4 O6 -","- C20 H24 Br2 N4 O6 -","- C160 H192 Br16 N32 O48 -","8","4","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.3711","0.1567","","","0.3532","0.448","","","","","","1.164","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212762","5.1849","0.0004","11.4665","0.0008","12.487","0.0009","71.293","0.002","81.204","0.002","88.593","0.002","694.66","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","AR-BI-C4 N-(5-bromo-2-pyridyl)propionamide, HOOC-(CH2)8-COOH","","- C26 H36 Br2 N4 O6 -","- C26 H36 Br2 N4 O6 -","- C26 H36 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0426","0.0313","","","0.0708","0.0758","","","","","","0.985","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212763","7.3849","0.0005","31.34","0.002","13.3082","0.0009","90","","90.344","0.003","90","","3080","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AR-1i-9 2-amino-3,5-dibromopyridine, 3,5-dinitrobenzoic acid","","- C12 H8 Br2 N4 O6 -","- C12 H8 Br2 N4 O6 -","- C96 H64 Br16 N32 O48 -","8","2","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0556","0.0364","","","0.0866","0.0928","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212764","14.0298","0.001","3.8527","0.0003","17.5918","0.0013","90","","102.337","0.003","90","","928.92","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AR-1i-13 2-amino-3,5-dibromopyridine, fumaric acid","","- C14 H12 Br4 N4 O4 -","- C14 H12 Br4 N4 O4 -","- C28 H24 Br8 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0268","0.0211","","","0.0501","0.0521","","","","","","1.017","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212765","4.9878","0.0003","9.9931","0.0007","11.4625","0.0008","113.25","0.005","92.103","0.005","93.352","0.005","522.92","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N-5-bromo-2-pyridyl)-acetamide)2, fumaric acid","","- C18 H20 Br2 N4 O6 -","- C18 H20 Br2 N4 O6 -","- C18 H20 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0784","0.0414","","","0.084","0.0973","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212766","9.0752","0.0005","9.0752","0.0005","27.014","0.003","90","","90","","90","","2224.9","0.3","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0417","0.0389","","","0.0897","0.0914","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212767","9.0723","0.001","9.0723","0.001","27.01","0.004","90","","90","","90","","2223.1","0.5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0321","0.031","","","0.0665","0.067","","","","","","1.083","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212768","9.0071","0.0009","11.7465","0.0011","16.1238","0.0015","83.866","0.002","74.062","0.004","69.246","0.002","1533.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd2 N6 O11 -","- C31 H20 Cd2 N6 O11 -","- C62 H40 Cd4 N12 O22 -","2","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0447","0.0369","","","0.0927","0.1025","","","","","","1.072","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212769","17.034","0.003","3.893","0.0006","7.3497","0.0011","90","","90","","90","","487.38","0.14","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C28 H16 O6 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0418","0.0373","","","0.086","0.0877","","","","","","1.007","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212770","4.0648","0.0004","15.6753","0.0014","21.9435","0.0019","90","","90","","90","","1398.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0439","0.0364","","","0.0751","0.0765","","","","","","0.924","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212771","3.9147","0.0007","22.823","0.004","15.634","0.003","90","","90","","90","","1396.8","0.4","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C19 H12 N2 O2 -","- C19 H12 N2 O2 -","- C76 H48 N8 O8 -","4","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.1492","0.133","","","0.2422","0.2483","","","","","","1.278","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212772","15.071","0.017","15.071","0.017","28.95","0.04","90","","90","","120","","5695","12","100","","100","","","","","","","","","2","P 61","P 61","169","","","","- C48 H42 -","- C48 H42 -","- C288 H252 -","6","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1078","0.0615","","","0.1447","0.1885","","","","","","1.166","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212773","11.9511","0.0013","24.458","0.003","13.2818","0.0014","90","","113.4","0.001","90","","3563","0.7","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 -","- C48 H42 -","- C192 H168 -","4","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1139","0.0547","","","0.1388","0.1742","","","","","","1.009","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212774","14.762","0.009","15.1","0.009","22.115","0.013","77.181","0.012","74.946","0.011","62.186","0.009","4181","4","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C54 H56 -","- C54 H56 -","- C216 H224 -","4","2","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.2878","0.0849","","","0.1836","0.2262","","","","","","0.802","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212775","11.385","0.003","14.405","0.004","14.984","0.004","115.121","0.004","95.522","0.004","109.93","0.004","2006.2","0.9","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C104 H100 O4 -","2","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1252","0.0831","","","0.2373","0.2665","","","","","","1.069","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212776","22.9885","0.0013","22.9885","0.0013","21.3679","0.0014","90","","90","","120","","9779.4","1","173","2","173","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- H150 K12 O239 P6 Rb6 V8 W39 -","- K11.982 O203 P6 Rb6 V8 W39 -","- K23.964 O406 P12 Rb12 V16 W78 -","2","0.166667","","Assran, Awatef S.; Izarova, Natalya V.; Kortz, Ulrich","Mixed-valent vanadium substituted polyoxometalates: the wheel shaped [Rb3⊂{VVVIV3O7(H2O)6}2{H6P6W39O147(H2O)3}]15−","CrystEngComm","2010","12","10","2684","","10.1039/c0ce00068j","","","0.71073","MoKα","","0.0574","0.045","","","0.105","0.1128","","","","","","1.104","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212777","14.043","0.003","18.608","0.005","24.308","0.006","90","","100.143","0.017","90","","6253","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H29 Ba2 F24 N14 O9 -","- C49 H25 Ba2 F24 N14 O9 -","- C196 H100 Ba8 F96 N56 O36 -","4","1","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.0879","0.0487","","0.0898","0.0529","0.0529","","","","","","1.0408","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212778","11.9876","0.0011","12.0698","0.0007","12.3219","0.0007","66.622","0.008","86.49","0.006","77.145","0.009","1594.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Ba F12 N8 O4 -","- C26 H14 Ba F12 N8 O4 -","- C52 H28 Ba2 F24 N16 O8 -","2","1","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.1062","0.0694","","0.1091","0.0777","0.0777","","","","","","1.0595","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212779","11.739","0.001","13.346","0.0009","19.504","0.0017","81.75","0.005","85.689","0.006","72.637","0.005","2884.6","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Ba F12 N4 O4 -","- C22 H16 Ba F12 N4 O4 -","- C88 H64 Ba4 F48 N16 O16 -","4","2","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.1263","0.0467","","","0.1065","0.1297","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212780","15.015","0.003","23.777","0.005","16.319","0.003","90","","92.23","0.03","90","","5822","2","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 K2 Na7 O50 Ru S3 V2 W7 -","- C6 H18 K2 Na5.5 O50 Ru S3 V2 W7 -","- C24 H72 K8 Na22 O200 Ru4 S12 V8 W28 -","4","1","","Bi, Li-Hua; Wang, Bin; Hou, Guang-Feng; Li, Bao; Wu, Li-Xin","A novel heptatungstovanadate fragment stabilized by organo-ruthenium group: [HVW7O28Ru(dmso)3]6−","CrystEngComm","2010","12","11","3511","","10.1039/c0ce00087f","","","0.71073","MoKα","","0.0537","0.0471","","","0.1059","0.1084","","","","","","1.105","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212781","8.5968","0.0008","9.756","0.0009","23.391","0.002","90","","90","","90","","1961.8","0.3","293","1","293","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","TADDOL FORM A","TADDOL FORM A","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0664","0.0526","","","0.1068","0.1115","","","","","","1.15","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212782","10.882","0.002","7.4911","0.0015","12.618","0.003","90","","110.599","0.003","90","","962.8","0.3","293","1","293","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","TADDOL FORM B","TADDOL FORM B","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0398","0.0342","","","0.0784","0.0815","","","","","","1.057","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212783","14.626","0.003","17.129","0.003","9.684","0.0019","90","","90","","90","","2426.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0555","0.0459","","","0.1117","0.1175","","","","","","0.996","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212784","14.615","0.003","17.148","0.003","9.6756","0.0019","90","","90","","90","","2424.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0424","0.0396","","","0.1046","0.1066","","","","","","0.999","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212785","8.5636","0.0015","9.392","0.006","28.1899","0.0017","90","","90","","90","","2267.3","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-dihexyl-benzimidazolium hexaflorophosphate","","","- C19 H31 F6 N2 P -","- C19 H31 F6 N2 P -","- C76 H124 F24 N8 P4 -","4","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.1643","0.0829","","","0.1889","0.247","","","","","","0.995","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212786","9.096","0.01","9.1414","0.0014","13.805","0.003","71.505","0.015","78.19","0.05","76.7","0.03","1048.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 Br N2 O -","- C19 H33 Br N2 O -","- C38 H66 Br2 N4 O2 -","2","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.085","0.0546","","","0.1343","0.1516","","","","","","1.011","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212787","9.288","0.007","13.7946","0.0013","18.739","0.003","69.402","0.014","76.16","0.03","86.15","0.03","2181.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 I N2 O0.5 -","- C19 H32 I N2 O0.5 -","- C76 H128 I4 N8 O2 -","4","2","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.0713","0.0497","","","0.1363","0.1457","","","","","","0.992","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212788","20.364","0.0005","7.789","0.0002","31.103","0.0007","90","","91.8689","0.0014","90","","4930.8","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Co-crystal of lithocholic acid and lithocholic acid-melamine salt","","","- C51 H86 N6 O6 -","- C51 H86 N6 O6 -","- C204 H344 N24 O24 -","4","2","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.1566","0.079","","","0.1419","0.1708","","","","","","1.03","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212789","20.0656","0.0003","7.6866","0.001","20.2789","0.0003","90","","115.305","0.0009","90","","2827.6","0.4","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Salt of deoxycholic acid and melamine","","","- C27 H46 N6 O4 -","- C27 H46 N6 O4 -","- C108 H184 N24 O16 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0554","0.0481","","","0.12","0.1246","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212790","19.7152","0.0007","7.7592","0.0003","20.4722","0.0007","90","","115.078","0.002","90","","2836.5","0.18","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Cholic acid-melamine co-crystal hemihydrate","","","- C27 H47 N6 O5.5 -","- C27 H47 N6 O5.5 -","- C108 H188 N24 O22 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0858","0.0667","","","0.1514","0.1615","","","","","","1.099","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7212791","18.693","0.003","10.1161","0.0019","20.355","0.004","90","","97.326","0.003","90","","3817.7","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 N4 Ni O14 -","- C38 H42 N4 Ni O14 -","- C152 H168 N16 Ni4 O56 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0828","0.0556","","","0.1492","0.1681","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212792","18.7369","0.0003","10.1621","0.0001","20.3373","0.0003","90","","97.079","0.001","90","","3842.83","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Co N4 O14 -","- C38 H42 Co N4 O14 -","- C152 H168 Co4 N16 O56 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0777","0.0535","","","0.1565","0.1647","","","","","","1.003","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212793","20.4381","0.0007","9.8231","0.0003","16.4244","0.0005","90","","106.708","0.003","90","","3158.24","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Co N4 O8 -","- C38 H30 Co N4 O8 -","- C152 H120 Co4 N16 O32 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.065","0.0457","","","0.1154","0.1218","","","","","","0.996","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212794","25.323","0.004","4.8988","0.0008","33.3","0.004","90","","120","","90","","3577.5","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H42 Cl6 Hg3 N6 O14 -","- C54 H42 Cl6 Hg3 N6 O14 -","- C108 H84 Cl12 Hg6 N12 O28 -","2","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.1584","0.0992","","","0.2657","0.307","","","","","","1.015","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212795","7.5483","0.0002","36.1989","0.0011","22.798","0.0005","90","","90","","90","","6229.3","0.3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C50 H42 Hg3 I6 N6 O11 -","- C50 H42 Hg3 I6 N6 O11 -","- C200 H168 Hg12 I24 N24 O44 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0748","0.0599","","","0.1353","0.1555","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212796","28.905","0.0019","10.3312","0.0003","22.738","0.003","90","","118.362","0.011","90","","5975","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Cl6 N6 O14 Zn3 -","- C52 H50 Cl6 N6 O14 Zn3 -","- C208 H200 Cl24 N24 O56 Zn12 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.069","0.0532","","","0.156","0.1637","","","","","","1.05","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212797","28.549","0.002","14.4101","0.0011","13.4766","0.001","90","","97.584","0.001","90","","5495.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Dy N2 O8 -","- C15 H11 Dy N2 O8 -","- C120 H88 Dy8 N16 O64 -","8","1","","Feng, Xun; Wang, Li-Ya; Wang, Jian- Ge; Xie, Cheng-Zhi; Zhao, Jian-She; Sun, Qian","A unique example of a 3D framework based on the binuclear dysprosium(iii) azobenzene-3,5,4′-tricarboxylate with 3,6-connected topology showing ferromagnetic properties","CrystEngComm","2010","12","11","3476","","10.1039/c0ce00119h","","","0.71073","MoKα","","0.0528","0.048","","","0.1777","0.1885","","","","","","1.025","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212798","6.0915","0.0012","9.961","0.002","13.361","0.003","68.87","0.03","81.01","0.03","76.72","0.03","733.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Eu N2 O12 -","- C7 H14 Eu N2 O12 -","- C14 H28 Eu2 N4 O24 -","2","1","","Ma, Deyun; Wang, Weixia; Li, Yingwei; Li, Jing; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","In situ 2,5-pyrazinedicarboxylate and oxalate ligands synthesis leading to a microporous europium‒organic framework capable of selective sensing of small molecules","CrystEngComm","2010","12","12","4372","","10.1039/c0ce00135j","","","0.71073","MoKα","","0.0672","0.0508","","","0.1242","0.1338","","","","","","1.053","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212799","14.696","0.005","14.296","0.005","11.558","0.005","90","0.005","121.509","0.005","90","0.005","2070.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag N9 O3 -","- C20 H18 Ag N9 O3 -","- C80 H72 Ag4 N36 O12 -","4","0.5","","Wang, Shuang; Zang, Hongying; Sun, Chunyi; Xu, Guangjuan; Wang, Xinlong; Shao, Kuizhan; Lan, Yaqian; Su, Zhongmin","Anion-directed genuine meso-helical supramolecular isomers of two 1D Ag(i) complexes based on arene-linked bis(pyrazolyl)methane ligands","CrystEngComm","2010","12","11","3458","","10.1039/c0ce00137f","","","0.71069","MoKα","","0.0418","0.0318","","","0.0713","0.075","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212800","9.155","0.005","20.337","0.005","11.698","0.005","90","0.005","91.47","0.005","90","0.005","2177.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ag N9 O3 -","- C20 H18 Ag N9 O3 -","- C80 H72 Ag4 N36 O12 -","4","1","","Wang, Shuang; Zang, Hongying; Sun, Chunyi; Xu, Guangjuan; Wang, Xinlong; Shao, Kuizhan; Lan, Yaqian; Su, Zhongmin","Anion-directed genuine meso-helical supramolecular isomers of two 1D Ag(i) complexes based on arene-linked bis(pyrazolyl)methane ligands","CrystEngComm","2010","12","11","3458","","10.1039/c0ce00137f","","","0.71069","MoKα","","0.1516","0.0721","","","0.1757","0.2302","","","","","","0.971","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212801","5.2025","0.0002","9.7343","0.0008","26.324","0.002","90","","90","","90","","1333.12","0.16","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Leeman, Michel; Noorduin, Wim L.; Millemaggi, Alessia; Vlieg, Elias; Meekes, Hugo; van Enckevort, Willem J. P.; Kaptein, Bernard; Kellogg, Richard M.","Efficient Havinga‒Kondepudi resolution of conglomerate amino acid derivatives by slow cooling and abrasive grinding","CrystEngComm","2010","12","7","2051","","10.1039/c0ce00140f","","","0.71073","MoKα","","0.0794","0.0478","","","0.0829","0.0922","","","","","","1.088","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7212802","23.631","0.003","4.8043","0.0007","23.56","0.003","90","","116.741","0.002","90","","2388.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu2 N6 -","- C28 H18 Cu2 N6 -","- C112 H72 Cu8 N24 -","4","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.0612","0.0536","","","0.1312","0.1358","","","","","","1.159","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212803","18.175","0.003","8.735","0.0015","30.413","0.005","90","","90","","90","","4828.3","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cu N4 O5.5 S -","- C26 H18 Cu N4 O5.5 S -","- C208 H144 Cu8 N32 O44 S8 -","8","1","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.1122","0.064","","","0.1488","0.1731","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212804","13.115","0.0019","22.273","0.003","10.6802","0.0015","90","","118.973","0.002","90","","2729.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Br2 Cu2 N5 -","- C28 H18 Br2 Cu2 N5 -","- C112 H72 Br8 Cu8 N20 -","4","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.07","0.0547","","","0.1242","0.1309","","","","","","1.136","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212805","10.1652","0.0008","14.6342","0.0012","15.2829","0.0012","117.538","0.001","96.141","0.001","104.338","0.001","1887.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu10 I10 N8 O2 -","- C52 H36 Cu10 I10 N8 O2 -","- C52 H36 Cu10 I10 N8 O2 -","1","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.0627","0.045","","","0.1025","0.1111","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212806","22.508","0.004","11.5522","0.0018","12.3631","0.0019","90","","103.304","0.009","90","","3128.3","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cl6 Fe N6 S2 -","- C26 H18 Cl6 Fe N6 S2 -","- C104 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0484","0.0385","","","0.0959","0.1015","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212807","21.3329","0.0011","11.5783","0.0005","12.9964","0.0007","90","","99.347","0.003","90","","3167.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Fe N6 S2 -","- C36 H32 Fe N6 S2 -","- C144 H128 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.1053","0.0784","","","0.1861","0.2056","","","","","","1.044","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212808","22.471","0.006","11.605","0.003","13.205","0.003","90","","103.083","0.015","90","","3354.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Fe N8 O4 S2 -","- C34 H26 Fe N8 O4 S2 -","- C136 H104 Fe4 N32 O16 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0441","0.0325","","","0.072","0.0776","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212809","11.5165","0.0011","11.4813","0.0011","13.1038","0.0011","90","","106.602","0.005","90","","1660.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Fe N6 O2 S2 -","- C30 H36 Fe N6 O2 S2 -","- C60 H72 Fe2 N12 O4 S4 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0584","0.0396","","","0.0918","0.1001","","","","","","1.034","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212810","11.5535","0.0019","11.5357","0.0018","15.45","0.003","90","","114.365","0.012","90","","1875.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H40 Fe N6 O4 S2 -","- C34 H40 Fe N6 O4 S2 -","- C68 H80 Fe2 N12 O8 S4 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.2478","0.1937","","","0.5167","0.5303","","","","","","1.88","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212811","16.049","0.002","16.613","0.003","12.5984","0.0018","90","","120.581","0.004","90","","2891.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N6 O3 S2 -","- C26 H16 Fe N6 O3 S2 -","- C104 H64 Fe4 N24 O12 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0574","0.0497","","","0.1446","0.1517","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212812","16.4191","0.0006","16.3755","0.0006","12.5505","0.0004","90","","120.21","0.002","90","","2916.17","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Fe N8 O5 S2 -","- C25 H25 Fe N8 O5 S2 -","- C100 H100 Fe4 N32 O20 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0447","0.04","","","0.1127","0.1163","","","","","","1.038","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212813","11.5305","0.0005","11.5424","0.0005","12.7461","0.0006","90","","110.832","0.002","90","","1585.48","0.12","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H16 Fe N6 S8 -","- C25 H16 Fe N6 S8 -","- C50 H32 Fe2 N12 S16 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0576","0.0468","","","0.143","0.1495","","","","","","1.153","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212814","12.1205","0.0004","15.552","0.0005","17.3547","0.0006","85.886","0.003","71.153","0.003","78.266","0.003","3031.17","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Cl Cu3 Li N6 O18 -","- C60 H70 Cl Cu3 Li N6 O18 -","- C120 H140 Cl2 Cu6 Li2 N12 O36 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0829","0.041","","","0.0611","0.066","","","","","","0.807","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212815","12.0391","0.0003","16.6189","0.0003","16.6213","0.0003","86.908","0.002","69.87","0.002","82.251","0.002","3093.78","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H70 Cu3 N9 Na O14 -","- C62 H70 Cu3 N9 Na O14 -","- C124 H140 Cu6 N18 Na2 O28 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.08","0.0407","","","0.0728","0.0778","","","","","","0.853","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212816","12.7379","0.0014","15.5892","0.0019","16.265","0.002","85.814","0.01","73.4","0.01","85.944","0.009","3082.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Cu3 Mg N8 O22 -","- C60 H70 Cu3 Mg N8 O22 -","- C120 H140 Cu6 Mg2 N16 O44 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0925","0.0536","","","0.1134","0.1198","","","","","","0.893","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212817","21.4852","0.0003","25.7356","0.0003","18.6849","0.0002","90","","91.902","0.001","90","","10325.8","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H110 Cl3 Cu5 K3 N10 O32 -","- C100 H110 Cl3 Cu5 K3 N10 O32 -","- C400 H440 Cl12 Cu20 K12 N40 O128 -","4","0.5","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0455","0.0332","","","0.0872","0.0895","","","","","","1.041","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212818","7.1687","0.0002","13.7862","0.0004","23.3747","0.0006","90","","90","","90","","2310.1","0.11","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu F6 K N2 O4 P -","- C20 H22 Cu F6 K N2 O4 P -","- C80 H88 Cu4 F24 K4 N8 O16 P4 -","4","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0477","0.0337","","","0.0552","0.0569","","","","","","0.865","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212819","14.0693","0.0005","14.9039","0.0006","16.9493","0.0005","115.765","0.004","106.404","0.003","91.471","0.003","3024.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H144 B2 Cu4 N8 O20 Rb2 -","- C134 H144 B2 Cu4 N8 O20 Rb2 -","- C134 H144 B2 Cu4 N8 O20 Rb2 -","1","0.5","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0343","0.0237","","","0.0566","0.0577","","","","","","0.95","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212820","7.5738","0.0007","7.7425","0.0007","9.4012","0.0008","109.086","0.002","95.635","0.002","99.598","0.002","506.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Br I N4 -","- C20 H24 Br I N4 -","- C20 H24 Br I N4 -","1","0.5","","Roper, Laila C.; Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","A halogen-bonded complex of DMAP with 4-bromoiodobenzene","CrystEngComm","2010","12","11","3382","","10.1039/c0ce00160k","","","0.71073","MoKα","","0.0259","0.0245","","","0.0624","0.0631","","","","","","1.041","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212821","15.303","0.002","16.583","0.002","23.124","0.003","90","","104.234","0.008","90","","5688","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H88 N8 O25 S3 -","- C37 H84.8 N8 O25 S3 -","- C148 H339.2 N32 O100 S12 -","4","1","","Hossain, Md Alamgir; Saeed, Musabbir A.; Gryn'ova, Ganna; Powell, Douglas R.; Leszczynski, Jerzy","Unusual complexes of trapped methanol with azacryptands.","CrystEngComm / RSC","2010","2010","12","4042","4044","10.1039/C0CE00162G","","","1.54178","CuKα","","0.1026","0.0829","","","0.2064","0.224","","","","","","1.102","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212822","11.8698","0.0014","14.1475","0.0018","16.133","0.002","97.812","0.007","96.193","0.007","101.013","0.008","2609.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H73 N8 O25 S7.5 -","- C31 H69 N8 O25 S7.5 -","- C62 H138 N16 O50 S15 -","2","1","","Hossain, Md Alamgir; Saeed, Musabbir A.; Gryn'ova, Ganna; Powell, Douglas R.; Leszczynski, Jerzy","Unusual complexes of trapped methanol with azacryptands.","CrystEngComm / RSC","2010","2010","12","4042","4044","10.1039/C0CE00162G","","","1.54178","CuKα","","0.0888","0.0563","","","0.139","0.1589","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212823","15.8233","0.0011","9.5733","0.0007","38.988","0.003","90","","96.762","0.002","90","","5864.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cu3 N6 S4.5 -","- C27 H21 Cu3 N6 S4.5 -","- C216 H168 Cu24 N48 S36 -","8","1","","Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan","Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction","CrystEngComm","2010","12","11","3670","","10.1039/c0ce00163e","","","0.71073","MoKα","","0.1022","0.0602","","","0.1296","0.1514","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212824","13.8291","0.001","12.241","0.0009","24.3326","0.0018","90","","104.604","0.002","90","","3986","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cu2 N4 S3 -","- C18 H14 Cu2 N4 S3 -","- C144 H112 Cu16 N32 S24 -","8","1","","Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan","Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction","CrystEngComm","2010","12","11","3670","","10.1039/c0ce00163e","","","0.71073","MoKα","","0.07","0.0448","","","0.0969","0.1079","","","","","","1.011","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212825","16.824","0.003","13.646","0.002","15.09","0.002","90","","111.192","0.003","90","","3230.1","0.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 Cu5 N9 S4 -","- C27 H20 Cu5 N9 S4 -","- C108 H80 Cu20 N36 S16 -","4","1","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0597","0.051","","","0.0969","0.1016","","","","","","1.061","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212826","14.474","0.003","6.949","0.0012","17.45","0.003","90","","96.255","0.004","90","","1744.7","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cu3 N5 S2 -","- C15 H12 Cu3 N5 S2 -","- C60 H48 Cu12 N20 S8 -","4","0.5","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0492","0.0402","","","0.0954","0.0999","","","","","","1.077","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212827","20.786","0.0002","20.786","0.0002","32.3848","0.0007","90","","90","","90","","13992.1","0.4","120","2","120","2","","","","","","","Jose Giner Planas","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C416 H640 B320 O64 -","32","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1503","0.1101","","","0.3113","0.3408","","","","","","1.277","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212828","19.1234","0.0008","9.0888","0.0004","23.1603","0.0007","90","","95.767","0.002","90","","4005.1","0.3","120","2","120","2","","","","","","","Jose Giner Planas","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B10 O -","- C18 H24 B10 O -","- C144 H192 B80 O8 -","8","2","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1555","0.0868","","","0.1971","0.2359","","","","","","1.028","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212829","19.0233","0.0005","8.3839","0.0002","22.8968","0.0007","90","","96.012","0.002","90","","3631.71","0.17","120","2","120","2","","","","","","","Jose Giner Planas","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 B10 O -","- C15 H22 B10 O -","- C120 H176 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0904","0.0614","","","0.1672","0.1883","","","","","","1.021","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212830","13.8781","0.0006","14.4748","0.0004","14.8852","0.0007","90","","90","","90","","2990.2","0.2","120","2","120","2","","","","","","","Pepe","5","P b c a","-P 2ac 2ab","61","","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0676","0.0526","","","0.134","0.1431","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212831","17.6653","0.0003","17.6653","0.0003","12.7609","0.0003","90","","90","","90","","3982.2","0.13","120","2","120","2","","","","","","","Pepe","4","I -4","I -4","82","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C136 H192 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0567","0.0485","","","0.1143","0.1195","","","","","","1.103","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212832","19.5952","0.0016","19.5952","0.0016","5.2472","0.0004","90","","90","","90","","2014.8","0.3","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H36 Cl2 N4 O2 Zn -","- C48 H36 Cl2 N4 O2 Zn -","- C96 H72 Cl4 N8 O4 Zn2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.0677","0.0399","","","0.0831","0.0904","","","","","","0.898","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212833","19.589","0.007","19.589","0.007","5.149","0.002","90","","90","","90","","1975.8","1.3","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H36 Br2 N4 O2 Zn -","- C48 H36 Br2 N4 O2 Zn -","- C96 H72 Br4 N8 O4 Zn2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.0741","0.0464","","","0.0996","0.1076","","","","","","0.924","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212834","18.9037","0.0001","18.9037","0.0001","11.8392","0.0006","90","","90","","90","","4230.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C48 H36 I2 N4 O2 Zn -","- C48 H36 I2 N4 O2 Zn -","- C192 H144 I8 N16 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.053","0.0326","","","0.0617","0.0684","","","","","","1.042","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212835","9.817","0.0005","9.9754","0.0005","38.6879","0.0017","90","","90","","90","","3788.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N8 -","- C22 H18 N8 -","- C176 H144 N64 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0558","0.0407","","","0.0934","0.1008","","","","","","1.056","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212836","9.11","0.005","10.485","0.005","14.4","0.008","74.055","0.007","81.433","0.007","86.057","0.005","1307.2","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N12 -","- C30 H24 N12 -","- C60 H48 N24 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1127","0.0529","","","0.1121","0.1364","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212837","12.6145","0.0005","14.4977","0.0006","28.1911","0.0011","78.018","0.002","81.577","0.002","79.422","0.002","4926","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H81 Cl4 N27 O20 Pb2 -","- C78 H81 Cl4 N27 O20 Pb2 -","- C156 H162 Cl8 N54 O40 Pb4 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.077","0.0485","","","0.1132","0.121","","","","","","1.023","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212838","14.2078","0.0005","15.0213","0.0006","15.6798","0.0006","117.794","0.002","90.479","0.002","116.858","0.002","2537.23","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cl2 N16 O8 Pb -","- C44 H36 Cl2 N16 O8 Pb -","- C88 H72 Cl4 N32 O16 Pb2 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1093","0.0976","","","0.2187","0.2245","","","","","","1.167","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212839","12.4736","0.0005","22.5686","0.0011","15.6899","0.0006","90","","103.555","0.003","90","","4293.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl2 N13 O9.5 Pb -","- C35 H36 Cl2 N13 O9.5 Pb -","- C140 H144 Cl8 N52 O38 Pb4 -","4","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1169","0.061","","","0.1567","0.1861","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212840","17.4206","0.0004","22.1469","0.0005","24.5102","0.0007","90","","90","","90","","9456.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H37 Cl2 N13 O9 Pb -","- C36 H37 Cl2 N13 O9 Pb -","- C288 H296 Cl16 N104 O72 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0936","0.0623","","","0.1709","0.1832","","","","","","1.123","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212841","19.6201","0.0007","19.7818","0.0007","21.6058","0.0008","90","","92.69","0.003","90","","8376.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 Cl2 N10 O8 Pb -","- C38 H33 Cl2 N10 O8 Pb -","- C304 H264 Cl16 N80 O64 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0998","0.0621","","","0.1646","0.1905","","","","","","1.052","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212842","11.6268","0.0006","12.1895","0.0006","13.5805","0.0007","102.909","0.003","102.681","0.003","102.962","0.002","1753.04","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Cl4 N17 O22 Pb2 -","- C49 H47 Cl4 N17 O22 Pb2 -","- C49 H47 Cl4 N17 O22 Pb2 -","1","0.5","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0946","0.0584","","","0.1423","0.161","","","","","","1.019","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212843","40.561","0.004","40.561","0.004","7.4674","0.0007","90","","90","","90","","12285","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C22 H30 Cd2 Cl2 N4 O5 -","- C22 H30 Cd2 Cl2 N4 O5 -","- C352 H480 Cd32 Cl32 N64 O80 -","16","1","","Fang, Hua-Cai; Ge, Ying-Ying; Ying, Yin; Zheng, Sheng-Run; Zhan, Qing-Guang; Zhou, Zheng-Yuan; Chen, Li; Cai, Yue-Peng","Syntheses and conversions of dinuclear cadmium(ii) compounds containing N2O/N2O2 donor tridentate/tetradentate asymmetrical Schiff base ligands","CrystEngComm","2010","12","12","4012","","10.1039/c0ce00177e","","","0.71073","MoKα","","0.0575","0.0462","","","0.1245","0.1336","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212844","40.561","0.004","40.561","0.004","7.4674","0.0007","90","","90","","90","","12285","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C22 H30 Cd2 Cl2 N4 O5 -","- C22 H30 Cd2 Cl2 N4 O5 -","- C352 H480 Cd32 Cl32 N64 O80 -","16","1","","Fang, Hua-Cai; Ge, Ying-Ying; Ying, Yin; Zheng, Sheng-Run; Zhan, Qing-Guang; Zhou, Zheng-Yuan; Chen, Li; Cai, Yue-Peng","Syntheses and conversions of dinuclear cadmium(ii) compounds containing N2O/N2O2 donor tridentate/tetradentate asymmetrical Schiff base ligands","CrystEngComm","2010","12","12","4012","","10.1039/c0ce00177e","","","0.71073","MoKα","","0.0572","0.046","","","0.1236","0.1327","","","","","","0.984","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212845","9.85","0.002","11.607","0.002","14.313","0.003","90.89","0.03","104.7","0.03","93.75","0.03","1578.6","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cu4 Mo2 N30 O12 -","- C36 H86 Cu4 Mo2 N30 O12 -","- C36 H86 Cu4 Mo2 N30 O12 -","1","0.5","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0385","0.0307","","","0.0771","0.0807","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212846","10.206","0.002","14.185","0.003","10.777","0.002","90","","93.69","0.03","90","","1557","0.5","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H43 Cu2 Mo N15 O4 -","- C20 H43 Cu2 Mo N15 O4 -","- C40 H86 Cu4 Mo2 N30 O8 -","2","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0231","0.0218","","","0.0484","0.0486","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212847","25.025","0.0015","5.5727","0.0003","14.7787","0.0009","90","","90","","90","","2061","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Ag N O5 S2 -","- C20 H24 Ag N O5 S2 -","- C80 H96 Ag4 N4 O20 S8 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0543","0.0441","","","0.1009","0.1075","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212848","12.851","0.002","13.297","0.002","14.903","0.002","112.1","0.007","107.57","0.006","91.354","0.007","2222.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H102 Ag4 B4 F16 O10 S8 -","- C82 H102 Ag4 B4 F16 O10 S8 -","- C82 H102 Ag4 B4 F16 O10 S8 -","1","0.5","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0565","0.0506","","","0.1178","0.1243","","","","","","1.039","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212849","10.7047","0.0007","17.0508","0.0011","13.62","0.0009","90","","105.185","0.002","90","","2399.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Ag F3 O5 S3 -","- C21 H24 Ag F3 O5 S3 -","- C84 H96 Ag4 F12 O20 S12 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0737","0.0424","","","0.0805","0.1348","","","","","","1.199","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212850","14.918","0.003","15.796","0.003","18.97","0.004","90","","96.16","0.03","90","","4444.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Ag2 F6 O8 S4 -","- C44 H48 Ag2 F6 O8 S4 -","- C176 H192 Ag8 F24 O32 S16 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.77","synchrotron","","0.0671","0.0592","","","0.1732","0.1819","","","","","","1.097","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212851","10.901","0.001","11.972","0.001","13.205","0.001","77.164","0.004","76.256","0.003","74.665","0.004","1590.9","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","gold phosphonium","","","- C32 H22 Au N2 O4 P S4 -","- C32 H22 Au N2 O4 P S4 -","- C64 H44 Au2 N4 O8 P2 S8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick","The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex","CrystEngComm","2010","12","12","4268","","10.1039/c0ce00188k","","","0.71073","MoKα","","0.0635","0.0402","","","0.0576","0.0614","","","","","","1.083","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212852","8.013","0.001","13.059","0.001","17.0873","0.0016","101.236","0.008","96.662","0.007","100.106","0.006","1705.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","gold(iii) bis(4,5-diamido-2-oxo-1,3-dithiolate) melaminium","","","- C20 H33 Au N16 O8 S4 -","- C20 H33 Au N16 O8 S4 -","- C40 H66 Au2 N32 O16 S8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick","The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex","CrystEngComm","2010","12","12","4268","","10.1039/c0ce00188k","","","0.71073","MoKα","","0.0591","0.032","","","0.05","0.0553","","","","","","1.072","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212853","35.61","0.005","17.813","0.002","32.235","0.004","90","","112.749","0.009","90","","18857","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C158 H190 Ba3 N10 O87 S14 -","- C158 H126 Ba3 N10 O87 S14 -","- C632 H504 Ba12 N40 O348 S56 -","4","0.5","","Erra, Loredana; Tedesco, Consiglia; Vaughan, Gavin; Brunelli, Michela; Troisi, Francesco; Gaeta, Carmine; Neri, Placido","A solid-state molecular capsule based on p-sulfonatocalix[7]arene and dicationic Diquat guest","CrystEngComm","2010","12","11","3463","","10.1039/c0ce00198h","","","0.17723","","","0.1464","0.1416","","","0.3413","0.3442","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212854","8.1103","0.0006","8.7455","0.0008","13.0119","0.001","90","","90","","90","","922.92","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0215","0.0194","","","0.0419","0.0425","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212855","8.1094","0.0003","8.7499","0.0004","13.0128","0.0005","90","","90","","90","","923.34","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0217","0.0195","","","0.0435","0.0509","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212856","10.913","0.002","33.876","0.007","7.904","0.0016","90","","104.72","0.03","90","","2826.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cu3 Gd N7 O8 -","- C23 H22 Cu3 Gd N7 O8 -","- C92 H88 Cu12 Gd4 N28 O32 -","4","1","","Yan, Peng-Fei; Wang, Ying; Chen, Peng; Zhang, Ju-Wen; Wang, Yan; Li, Guang-Ming","A two dimensional heterospin layer coordination polymer of {[LCuIIGdIII(NO3)CuI2(CN)4]·MeOH}n with short CuI⋯CuI bonds","CrystEngComm","2010","12","12","4084","","10.1039/c0ce00207k","","","0.71073","MoKα","","0.1267","0.069","","","0.1505","0.1746","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212857","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212858","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212859","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7212860","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212861","7.6596","0.0002","19.7497","0.0007","9.4708","0.0003","90","","109.067","0.002","90","","1354.09","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.14 N2 Zn0.86 -","- C10 H10 Cl4 Co0.14 N2 Zn0.86 -","- C40 H40 Cl16 Co0.56 N8 Zn3.44 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.71073","MoKα","","0.0915","0.0629","","","0.1203","0.1352","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212862","7.6491","0.0006","19.7209","0.0016","9.4569","0.0008","90","","109.049","0.002","90","","1348.43","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.05 N2 Zn0.95 -","- C10 H10 Cl4 Co0.047 N2 Zn0.953 -","- C40 H40 Cl16 Co0.188 N8 Zn3.812 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.6893","synchrotron","","0.0228","0.0221","","","0.0575","0.058","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212863","7.6596","0.0001","19.7388","0.0004","9.4616","0.0002","90","","109.062","0.001","90","","1352.07","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.07 N2 Zn0.93 -","- C10 H10 Cl4 Co0.072 N2 Zn0.928 -","- C40 H40 Cl16 Co0.288 N8 Zn3.712 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.71073","MoKα","","0.0253","0.0216","","","0.0489","0.0503","","","","","","1.08","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212864","9.0766","0.0007","11.6167","0.0009","12.4603","0.001","90","","103.471","0.002","90","","1277.67","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 F2 N2 O -","- C7 H4 F2 N2 O -","- C56 H32 F16 N16 O8 -","8","1","","Pérez-Torralba, Marta; López, Concepción; Pérez-Medina, Carlos; Claramunt, Rosa M.; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José","Fast degenerate double proton transfer in the solid state between two indazolinone tautomers","CrystEngComm","2010","12","12","4052","","10.1039/c0ce00249f","","","0.71073","MoKα","","0.0438","0.0315","","","0.0763","0.0825","","","","","","1.071","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212865","6.9363","0.0004","6.9574","0.0004","12.0029","0.0008","77.23","0.005","73.739","0.006","71.192","0.006","520.9","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","1","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1432","0.0545","","","0.1241","0.1505","","","","","","0.862","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212866","11.6701","0.0005","20.9348","0.0007","12.9988","0.0005","90","","114.656","0.005","90","","2886.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C120 H156 N12 O24 -","6","1.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1188","0.0793","","","0.1883","0.2062","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212867","10.656","0.003","8.429","0.001","22.31","0.002","90","","99.851","0.004","90","","1974.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0605","0.0424","","","0.1152","0.1291","","","","","","1.006","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212868","12.661","0.003","10.129","0.001","17.361","0.002","90","","93.13","0.01","90","","2223.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O4 -","- C23 H32 N2 O4 -","- C92 H128 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.2667","0.0934","","","0.1766","0.2491","","","","","","1.023","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212869","5.4308","0.0002","20.7179","0.0007","15.4813","0.0006","90","","92.205","0.003","90","","1740.59","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.153","0.0882","","","0.1461","0.1685","","","","","","1.159","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212870","13.7629","0.0008","5.3869","0.0004","24.64","0.002","90","","95.597","0.006","90","","1818.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1162","0.0647","","","0.1266","0.1429","","","","","","1.099","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212871","7.1246","0.0004","11.1403","0.0004","12.9265","0.0007","81.099","0.004","84.868","0.005","71.717","0.004","961.54","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C40 H52 N4 O8 -","2","1","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1632","0.058","","","0.1059","0.1333","","","","","","0.911","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212872","21.121","0.002","4.9224","0.0003","16.638","0.001","90","","119.752","0.006","90","","1501.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0733","0.0427","","","0.1047","0.1136","","","","","","0.954","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212873","12.2889","0.0004","11.14","0.0005","24.345","0.001","90","","96.933","0.004","90","","3308.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.285","0.0827","","","0.1553","0.2049","","","","","","0.9","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212874","7.2159","0.0006","7.3354","0.0007","8.8449","0.0007","90.21","0.007","93.428","0.006","115.808","0.009","420.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","1","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0874","0.0499","","","0.124","0.137","","","","","","0.916","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212875","11.138","0.001","47.332","0.005","14.436","0.002","90","","105.832","0.001","90","","7321.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C304 H384 N32 O64 -","16","4","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1923","0.0827","","","0.2294","0.2987","","","","","","0.986","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212876","11.0239","0.001","17.054","0.001","9.754","0.001","90","","90","","90","","1833.8","0.3","250","2","250","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H13.5 N4 O8.75 Zr0.5 -","- C16 H13.5 N4 O8.75 Zr0.5 -","- C64 H54 N16 O35 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.0656","0.037","","","0.0792","0.0901","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212877","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212878","16.387","0.004","11.486","0.003","15.506","0.004","90","","90","","90","","2918.6","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H60 N24 O30 S2 -","- C36 H36 N24 O29 S2 -","- C72 H72 N48 O58 S4 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1042","0.0798","","","0.218","0.2462","","","","","","0.942","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212879","15.9736","0.0019","11.594","0.0013","14.9519","0.0017","90","","90","","90","","2769.1","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H58 B2 F8 N24 O22 -","- C36 H36 B2 F8 N24 O22 -","- C72 H72 B4 F16 N48 O44 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1213","0.0672","","","0.1651","0.1921","","","","","","0.954","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212880","16.1459","0.0019","19.2618","0.0015","9.9376","0.0012","90","","124.97","0.004","90","","2532.6","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","((Mn(phen))2(SnS4))n.nH2O","{[Mn(phen)]2(SnS4)}n.nH2O","","- C24 H18 Mn2 N4 O S4 Sn -","- C24 H18 Mn2 N4 O S4 Sn -","- C96 H72 Mn8 N16 O4 S16 Sn4 -","4","0.5","","Liu, Guang-Ning; Guo, Guo-Cong; Chen, Feng; Guo, Sheng-Ping; Jiang, Xiao-Ming; Yang, Chen; Wang, Ming-Sheng; Wu, Mei-Feng; Huang, Jin-Shun","Stabilization of (SnS4)4− anion by coordinating to [TM(π-conjugated-ligand)m]n+ complex: a chain-like thiostannate(iv) {[Mn(phen)]2(SnS4)}n·nH2O exhibiting an unprecedented link mode of the (SnS4)4− anion","CrystEngComm","2010","12","12","4035","","10.1039/c0ce00292e","","","0.71073","MoKα","","0.0306","0.0249","","","0.0564","0.0594","","","","","","0.995","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212881","11.965","0.003","13.81","0.004","17.296","0.004","76.003","0.011","78.762","0.01","71.809","0.01","2612.3","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 N6 Ni2 O S20 -","- C35 H36 N6 Ni2 O S20 -","- C70 H72 N12 Ni4 O2 S40 -","2","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Highly polar 7,7-bis(N,N-dimethylpiperazinium)-8,8-dicyanoquinodimethane in [Ni(dmit)2]− salt: crystal structure and magnetic properties","CrystEngComm","2010","12","12","4087","","10.1039/c0ce00322k","","","0.71075","MoKα","","","0.0317","","","","0.051","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212882","9.953","0.0009","12.2882","0.0011","14.1263","0.0012","89.826","0.001","76.541","0.001","75.689","0.001","1625.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cu2 N5 O16 -","- C31 H27 Cu2 N5 O16 -","- C62 H54 Cu4 N10 O32 -","2","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0277","0.0248","","","0.0692","0.0713","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212883","24.803","0.0017","17.609","0.0019","16.024","0.003","90","","96.585","0.002","90","","6952.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cu2 N5 O17.5 -","- C33 H30 Cu2 N5 O17.5 -","- C264 H240 Cu16 N40 O140 -","8","2","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0779","0.0438","","","0.0988","0.1135","","","","","","1.017","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212884","15.458","0.002","15.89","0.002","11.43","0.001","90","","99.318","0.004","90","","2770.5","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Cu4 O42 -","- C42 H52 Cu4 O42 -","- C84 H104 Cu8 O84 -","2","0.25","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0314","0.0281","","","0.0725","0.0749","","","","","","1.097","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212885","8.521","0.002","10.161","0.002","21.849","0.003","90","","97.554","0.002","90","","1875.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl Cu N3 O7 -","- C17 H20 Cl Cu N3 O7 -","- C68 H80 Cl4 Cu4 N12 O28 -","4","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0454","0.0396","","","0.097","0.0999","","","","","","1.189","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212886","4.9663","0.0017","9.909","0.003","10.491","0.004","94.104","0.006","94.908","0.006","97.222","0.006","508.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Cu O10 -","- C7 H10 Cu O10 -","- C14 H20 Cu2 O20 -","2","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0301","0.0257","","","0.065","0.0675","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212887","5.1607","0.0003","5.8504","0.0003","14.517","0.0007","100.254","0.003","95.11","0.003","90.761","0.003","429.4","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Ni O16 -","- C14 H14 Ni O16 -","- C14 H14 Ni O16 -","1","0.5","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.045","0.0325","","","0.0652","0.0693","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212888","9.8604","0.0015","14.374","0.002","10.3111","0.0016","90","","95.065","0.003","90","","1455.7","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N16 O8 Zn2 -","- C20 H28 N16 O8 Zn2 -","- C40 H56 N32 O16 Zn4 -","2","1","","Liang, Xiao-Qiang; Jia, Jiang-Tao; Wu, Tao; Li, Dong-Ping; Liu, Lei; Tsolmon,; Zhu, Guang-Shan","A spontaneously resoluted zinc‒organic framework with nonlinear optical and ferroelectric properties generated from tetrazolate-ethyl ester ligand","CrystEngComm","2010","12","11","3499","","10.1039/c0ce00329h","","","0.71073","MoKα","","0.0583","0.0553","","","0.1428","0.1441","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212889","7.227","0.003","10.992","0.004","13.404","0.006","79.213","0.019","79.168","0.019","74.06","0.018","995.2","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Au2 Fe N6 O -","- C17 H15 Au2 Fe N6 O -","- C34 H30 Au4 Fe2 N12 O2 -","2","1","","Xu, Haitao; Juhász, Gergely; Yoshizawa, Kazunari; Takahashi, Masashi; Kanegawa, Shinji; Sato, Osamu","Mixed-metal complex [Fe(bipe)(Au(CN)2)2·MeOH] with gold clusters: a novel two-dimensional polyrotaxane net clipped by aurophilic interaction","CrystEngComm","2010","12","12","4031","","10.1039/c0ce00376j","","","0.7107","MoKα","","0.0253","0.0245","","","0.0624","0.0633","","","","","","1.104","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212890","9.5298","0.0002","17.3699","0.0004","10.4197","0.0003","90","","94.017","0.001","90","","1720.55","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","artemisinin-resorcinol 2/1","artemisinin-resorcinol 2/1","","- C36 H50 O12 -","- C36 H50 O12 -","- C72 H100 O24 -","2","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0421","0.0385","","","0.0984","0.1016","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212891","9.0658","0.0001","14.1061","0.0003","16.5554","0.0003","90","","90","","90","","2117.16","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","artemisinin-orcinol 1/1","artemisinin-orcinol 1/1","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0723","0.0475","","","0.1076","0.1205","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212892","6.8664","0.0005","12.4548","0.0012","23.4659","0.001","90","","90","","90","","2006.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((R)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0685","0.0519","","","0.1332","0.1461","","","","","","1.078","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212893","5.881","0.0005","15.259","0.0006","22.318","0.002","90","","90","","90","","2002.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((S)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0864","0.0676","","","0.157","0.1703","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212894","12.499","0.005","6.8934","0.0015","13.411","0.006","90","","113.73","0.03","90","","1057.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium).(2-(2-(2,6-dichlorophenylamino)phenyl)acetate)","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C44 H44 Cl4 N4 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0353","0.029","","","0.0662","0.0691","","","","","","1.022","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212895","12.4158","0.0006","5.5535","0.0002","28.1619","0.0014","90","","94.203","0.002","90","","1936.57","0.15","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium)). (2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate)","","- C21 H20 F3 N3 O2 -","- C21 H20 F3 N3 O2 -","- C84 H80 F12 N12 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0539","0.0423","","","0.0985","0.1045","","","","","","0.992","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212896","50.411","0.0007","50.411","0.0007","48.082","0.0006","90","","90","","90","","122189","3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C288 H342.38 Cu3 N24 Na20 O159.26 S16 -","- C287 H204 Cu3 N24 Na20 O106 S16 -","- C2296 H1632 Cu24 N192 Na160 O848 S128 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1242","0.1023","","","0.2637","0.2839","","","","","","1.053","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7212897","49.63","0.0007","49.63","0.0007","49.49","0.0006","90","","90","","90","","121901","3","100","2","100","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C288 H266 Cl4 Cu3 N24 Na16 O169 S16 Zn4 -","- C288 H204 Cl4 Cu3 N24 Na16 O118.2 S16 Zn4 -","- C2304 H1632 Cl32 Cu24 N192 Na128 O945.6 S128 Zn32 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1137","0.0867","","","0.2337","0.2625","","","","","","0.985","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7212898","50.17","0.004","50.17","0.004","49.46","0.002","90","","90","","90","","124492","15","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C280 H418.26 Cu3 N24 Na12.8 Ni3.6 O201.12 S16 -","- C280 H204 Cu3 N24 Na12.8 Ni3.6 O110 S16 -","- C2240 H1632 Cu24 N192 Na102.4 Ni28.8 O880 S128 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1523","0.1287","","","0.3237","0.353","","","","","","1.296","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7212899","9.781","0.002","11.905","0.002","15.22","0.003","96.5","0.03","99.07","0.03","112.41","0.03","1588.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N18 O30 Zn7 -","- C44 H32 N18 O30 Zn7 -","- C44 H32 N18 O30 Zn7 -","1","0.5","","Qin, Jie; Qin, Chao; Wang, Cui-Xia; Li, Huan; Cui, Ling; Li, Ting-Ting; Wang, Xin-Long","A lacuna in reticular chemistry: an unprecedented binodal (6,10)-connected network based on two distinct zinc clusters","CrystEngComm","2010","12","12","4071","","10.1039/c0ce00582g","","","0.71073","MoKα","","0.0481","0.0403","","","0.11","0.1153","","","","","","1.033","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7213546","18.6421","0.0019","18.6421","0.0019","18.6421","0.0019","90","","90","","90","","6478.6","1.1","293","2","293","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","catena-(tetra(μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- -tetrakistetrazolato))- -bis(μ~4~-chloro)-octa(N,N-dimethylformamide)-nona-copper(II), dimethylformamide solvate","","- C83 H111 Cl2 Cu9 N73 O9 -","- C83.2 H48 Cl2 Cu9 N73.44 O10 -","- C166.4 H96 Cl4 Cu18 N146.88 O20 -","2","0.0104167","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","1.5418","CuKα","","0.0637","0.0629","","","0.1674","0.1682","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213547","18.9532","0.0003","18.9532","0.0003","31.3238","0.0012","90","","90","","90","","11252.3","0.5","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-trichloro-tetra-(N,N-dimethylacetamide)- hexa-copper(ii), dimethylacetamide, methanol and water solvate","","- C76 H56 Cl4 Cu6 N32 -","- C76 H56 Cl4 Cu6 N32 O4 -","- C152 H112 Cl8 Cu12 N64 O8 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0732","0.055","","","0.1568","0.1673","","","","","","1.088","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213548","19.7788","0.0005","19.7788","0.0005","31.6321","0.0007","90","","90","","90","","12374.5","0.5","220","2","220","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-tri-(chloro)-hexa-(N,N-dimethylformamide)- hexa-cadmium(ii), dimethylformamide and water solvate","","- C76 H56 Cd6 Cl4 N32 -","- C76 H56 Cd6 Cl4 N32 O6 -","- C152 H112 Cd12 Cl8 N64 O12 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0536","0.0414","","","0.1185","0.1228","","","","","","0.972","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213549","6.0892","0.0007","6.5384","0.0007","16.9014","0.0018","80.756","0.002","84.572","0.002","62.398","0.002","588.42","0.11","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 O2 -","- C15 H15 O2 -","- C30 H30 O4 -","2","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0602","0.0485","","","0.1204","0.1279","","","","","","1.037","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213550","6.5163","0.0004","29.4058","0.0019","11.3547","0.0007","90","","90.999","0.001","90","","2175.4","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0804","0.0559","","","0.1194","0.1298","","","","","","1.034","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213551","6.5284","0.0005","29.274","0.002","11.3182","0.0008","90","","91.019","0.001","90","","2162.7","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H28.5 Cl0.5 O3 -","- C27.5 H28.5 Cl0.5 O3 -","- C110 H114 Cl2 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0857","0.0639","","","0.1277","0.1368","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213552","17.278","0.002","17.861","0.002","18.092","0.002","82.207","0.005","71.356","0.005","66.625","0.004","4855.8","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 Cd2 Ce4 Cl14 N66 O107 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0979","0.0679","","","0.1885","0.2087","","","","","","0.969","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213553","17.1436","0.0006","18.0998","0.0006","18.3169","0.0006","84.896","0.001","65.733","0.001","71.546","0.001","4909.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H240 Cd2 Cl14 N66 Nd4 O110 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0777","0.0594","","","0.176","0.1934","","","","","","1.031","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213554","17.0632","0.001","18.0202","0.001","18.284","0.001","84.728","0.002","65.772","0.002","71.667","0.002","4862.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H250 Cd2 Cl14 N66 O115 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0878","0.0687","","","0.2066","0.2254","","","","","","1.126","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213555","17.0389","0.0017","17.9558","0.0017","18.3397","0.0019","84.823","0.004","65.727","0.004","71.616","0.004","4848.9","0.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H284 Cd2 Cl14 Eu4 N66 O132 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1313","0.1102","","","0.3205","0.3432","","","","","","1.251","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213556","28.3249","0.0019","28.3249","0.0019","21.949","0.003","90","","90","","90","","17610","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H229 Cl4 Gd N64 O98 -","- C96 H96 Cl4 Gd N64 O36 -","- C384 H384 Cl16 Gd4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.125","0.0894","","","0.2683","0.2925","","","","","","1.055","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213557","28.3123","0.0019","28.3123","0.0019","21.934","0.003","90","","90","","90","","17582","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H235 Cl4 N64 O101 Tb -","- C96 H96 Cl4 N64 O36 Tb -","- C384 H384 Cl16 N256 O144 Tb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1109","0.0791","","","0.2312","0.2506","","","","","","1.038","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213558","28.464","0.004","28.464","0.004","21.992","0.003","90","","90","","90","","17818","4","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H239 Cl4 Ho N64 O103 -","- C96 H96 Cl4 Ho N64 O36 -","- C384 H384 Cl16 Ho4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1202","0.0832","","","0.2333","0.2562","","","","","","0.992","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213559","28.44","0.003","28.44","0.003","22.01","0.005","90","","90","","90","","17802","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl4 Er N64 O104 -","- C96 H96 Cl4 Er0.9998 N64 O36 -","- C384 H384 Cl16 Er3.9992 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1363","0.0752","","","0.2098","0.2323","","","","","","0.944","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213560","28.4011","0.0018","28.4011","0.0018","21.939","0.003","90","","90","","90","","17696","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H247 Cl4 N64 O107 Tm -","- C96 H96 Cl4 N64 O36 Tm -","- C384 H384 Cl16 N256 O144 Tm4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.148","0.088","","","0.2448","0.2711","","","","","","0.967","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213561","28.388","0.003","28.388","0.003","22.036","0.005","90","","90","","90","","17758","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H237 Cl4 N64 O102 Yb -","- C96 H96 Cl4 N64 O36 Yb -","- C384 H384 Cl16 N256 O144 Yb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1579","0.0893","","","0.2612","0.2945","","","","","","0.948","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213562","28.3363","0.0019","28.3363","0.0019","21.928","0.003","90","","90","","90","","17607","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl3.5 Lu N64 O104 -","- C96 H96 Cl4 Lu N64 O36 -","- C384 H384 Cl16 Lu4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1176","0.0775","","","0.2289","0.2475","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213563","22.228","0.008","8.878","0.003","17.393","0.005","86.265","0.014","82.354","0.014","79.121","0.011","3337.9","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C108 H114 Cl12 Cu6 N24 O54 -","3","1.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0771","","","","0.2206","","","","","","1.047","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213564","8.529","0.004","8.617","0.004","17.434","0.011","86.31","0.04","81.71","0.03","62.9","0.02","1128.7","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0904","","","","0.2443","","","","","","1.071","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213565","8.569","0.003","8.666","0.003","17.564","0.007","87.05","0.02","82","0.02","62.917","0.013","1149.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0484","","","","0.1261","","","","","","1.065","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213566","4.26162","0.00009","12.71748","0.00028","13.95174","0.00031","90","","98.2979","0.0009","90","","748.23","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 Br D5 I N -","- C5 Br D5 I N -","- C20 Br4 D20 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","powder diffraction","neutron","","neutron","","","","","","","","0.09156","","2.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213567","4.2564","0.0001","12.7251","0.0004","13.9443","0.0003","90","","98.358","0.002","90","","747.25","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0267","0.0251","","0.0647","0.0642","0.0647","","","","","","0.9808","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213568","4.3813","0.0002","12.6339","0.0005","14.1942","0.0004","90","","97.706","0.002","90","","778.59","0.05","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0455","0.0363","","0.1079","0.1009","0.1079","","","","","","1.0417","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213569","4.1628","0.0002","12.3376","0.0007","13.9514","0.0007","90","","95.073","0.004","90","","713.72","0.06","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.027","0.0243","","0.0486","0.046","0.0486","","","","","","1.0147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213570","4.2746","0.0002","12.3214","0.0008","14.1019","0.0008","90","","94.883","0.004","90","","740.04","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0399","0.032","","0.0537","0.0482","0.0537","","","","","","1.0139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213571","11.642","0.0009","4.6349","0.0004","18.8292","0.0018","90","","95.453","0.005","90","","1011.42","0.15","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0457","0.0335","","","0.0736","0.0795","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213572","8.6916","0.0007","13.2144","0.0011","8.9458","0.0007","90","","93.96","0.004","90","","1025.01","0.14","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0479","0.0398","","","0.0938","0.0993","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213573","7.5365","0.0003","5.5019","0.0003","24.9737","0.0012","90","","92.956","0.002","90","","1034.16","0.09","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0423","0.0364","","","0.0889","0.0933","","","","","","1.046","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213574","9.8668","0.0008","6.9888","0.0006","16.1978","0.0013","90","","98.855","0.004","90","","1103.64","0.16","92","2","92","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0407","0.0335","","","0.0876","0.0924","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213575","7.8075","0.0008","11.2905","0.0013","13.2898","0.0018","88.359","0.007","80.741","0.006","73.514","0.006","1108.5","0.2","92","2","92","2","","","","","","","","5","P -1","-P 1","2","","5-(4-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0788","0.0566","","","0.1502","0.1733","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213576","11.4959","0.0007","19.4686","0.0012","18.3104","0.0011","90","","105.464","0.001","90","","3949.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Mo5 N6 O22 P2 -","- C28 H32 Mo5 N6 O22 P2 -","- C112 H128 Mo20 N24 O88 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0165","0.0154","","","0.0394","0.0401","","","","","","0.93","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213577","11.1778","0.0007","11.1778","0.0007","27.641","0.0017","90","","90","","120","","2990.9","0.3","90","2","90","2","","","","","","","","6","P 32","P 32","145","","","","- C28 H30 Mo5 N6 O21 P2 -","- C28 H30 Mo5 N6 O21 P2 -","- C84 H90 Mo15 N18 O63 P6 -","3","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.035","0.0338","","","0.0902","0.0908","","","","","","1.049","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213578","23.327","0.003","21.115","0.003","9.7462","0.0014","90","","90","","90","","4800.5","1.1","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H35 Co Mo5 N6 O23 P2 -","- C38 H32 Co Mo5 N6 O23 P2 -","- C152 H128 Co4 Mo20 N24 O92 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0494","0.0395","","","0.0864","0.0903","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213579","14.574","0.003","17.358","0.003","20.413","0.004","90","","90","","90","","5164","1.7","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Co Mo5 N6 O28 P2 -","- C38 H44 Co Mo5 N6 O28 P2 -","- C152 H176 Co4 Mo20 N24 O112 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0478","0.0377","","","0.0735","0.0766","","","","","","0.973","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213580","13.0366","0.0013","13.0703","0.0013","20.989","0.002","76.271","0.003","85.514","0.003","60.541","0.003","3021.9","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cu2 Mo5 N8 O27 P2 -","- C48 H46 Cu2 Mo5 N8 O24 P2 -","- C96 H92 Cu4 Mo10 N16 O48 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0678","0.0457","","","0.1376","0.1533","","","","","","1.041","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213581","13.4404","0.0014","21.237","0.002","18.1894","0.0014","90","","118.357","0.006","90","","4568.9","0.8","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C128 H160 Cu8 Mo20 N16 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0505","0.035","","","0.0743","0.0822","","","","","","1.108","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213582","53.884","0.003","9.5839","0.0005","18.7832","0.0009","90","","91.589","0.001","90","","9696.3","0.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C288 H272 Cu16 Mo40 N32 O208 P24 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0476","0.0317","","","0.062","0.0661","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213583","15.6642","0.0011","17.0366","0.0013","18.1045","0.0013","90","","110.366","0.001","90","","4529.4","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Mo5 N4 Ni O29 P2 -","- C28 H42 Mo5 N4 Ni O29 P2 -","- C112 H168 Mo20 N16 Ni4 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0229","0.0183","","","0.0428","0.0448","","","","","","1.031","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213584","14.3824","0.0013","23.955","0.002","20.6777","0.0019","90","","100.325","0.002","90","","7008.7","1.1","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Mo6 N12 Ni2 O33 P2 -","- C56 H56 Mo6 N12 Ni2 O33 P2 -","- C224 H224 Mo24 N48 Ni8 O132 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0909","0.0487","","","0.0981","0.1154","","","","","","0.943","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213585","24.135","0.004","11.8418","0.0018","20.308","0.003","90","","112.14","0.004","90","","5376.1","1.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Mo2 N3 Ni O15 P2 -","- C20 H22 Mo2 N3 Ni O15 P2 -","- C160 H176 Mo16 N24 Ni8 O120 P16 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0508","0.0428","","","0.1143","0.1189","","","","","","1.023","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213586","17.3753","0.0012","11.3661","0.0008","22.3579","0.0015","90","","103.118","0.001","90","","4300.2","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Mo5 N6 Ni2 O25 P2 -","- C28 H30 Mo5 N6 Ni2 O25 P2 -","- C112 H120 Mo20 N24 Ni8 O100 P8 -","4","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0442","0.0317","","","0.0636","0.0672","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213587","10.9305","0.0012","12.2497","0.0014","16.2618","0.0018","85.669","0.002","76.269","0.002","66.823","0.002","1944.1","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H35 Cu2 F3 Mo2 N4 O16 P2 -","- C32 H34 Cu2 F3 Mo2 N4 O16 P2 -","- C64 H68 Cu4 F6 Mo4 N8 O32 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0582","0.0411","","","0.1162","0.1279","","","","","","1.047","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213588","8.9981","0.0006","20.6917","0.0016","21.1555","0.0016","113.586","0.002","96.089","0.002","95.629","0.002","3546.5","0.5","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C122 H112 Cu6 F14 Mo8 N18 O46 P8 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0605","0.0351","","","0.0633","0.0705","","","","","","1.007","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213589","8.562","0.002","19.809","0.005","13.219","0.003","90","","103.447","0.003","90","","2180.5","0.9","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C72 H72 Cu6 F4 Mo4 N8 O36 P8 -","2","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0573","0.0485","","","0.1262","0.1302","","","","","","1.062","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213590","6.309","0.0006","10.7274","0.0009","6.3907","0.0006","90","","90","","90","","432.52","0.07","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0526","0.0384","","","0.0792","0.083","","","","","","0.999","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213591","6.503","0.013","10.85","0.02","6.429","0.013","90","","90","","90","","453.6","1.5","291","2","291","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0212","0.019","","","0.0398","0.0406","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213592","20.8479","0.0005","35.6759","0.0009","38.2974","0.0008","90","","92.107","0.002","90","","28465.1","1.2","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H239 Fe6 Ge6 K9 N26 O282 Sm6 W60 -","- C12 H60 Fe6 Ge6 K9 N12 O282 Sm6 W60 -","- C48 H240 Fe24 Ge24 K36 N48 O1128 Sm24 W240 -","4","0.5","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.0795","0.0491","","","0.1024","0.1127","","","","","","1.069","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213593","20.7644","0.0004","25.0049","0.0006","22.6513","0.0005","90","","100.729","0.002","90","","11555.2","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H87 Fe6 Ge3 K N12 O107 W24 -","- C2 H10 Fe6 Ge3 K N2 O104 W24 -","- C8 H40 Fe24 Ge12 K4 N8 O416 W96 -","4","1","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.1123","0.0667","","","0.166","0.1867","","","","","","1.071","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213594","14.0054","0.0003","15.1789","0.0003","18.5649","0.0003","90","","94.108","0.002","90","","3936.51","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag2 Cd I2 N4 O11 -","- C36 H28 Ag2 Cd I2 N4 O11 -","- C144 H112 Ag8 Cd4 I8 N16 O44 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0566","0.0398","","","0.0758","0.0806","","","","","","1.082","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213595","15.794","0.0005","13.4071","0.0006","17.8147","0.0008","90","","93.021","0.003","90","","3767.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Ag2 Cd I2 N4 O9 -","- C40 H24 Ag2 Cd I2 N4 O9 -","- C160 H96 Ag8 Cd4 I8 N16 O36 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0831","0.0675","","","0.1563","0.1624","","","","","","1.061","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213596","26.099","0.0017","8.7015","0.0003","15.0839","0.0009","90","","116.468","0.008","90","","3066.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag2 I N O4 -","- C14 H10 Ag2 I N O4 -","- C112 H80 Ag16 I8 N8 O32 -","8","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0475","0.0387","","","0.0882","0.0928","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213597","9.2367","0.0009","9.3456","0.0008","13.4445","0.0011","88.897","0.007","71.282","0.008","67.893","0.008","1011.53","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Ag2 I N2 O4 -","- C20 H15 Ag2 I N2 O4 -","- C40 H30 Ag4 I2 N4 O8 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0466","0.0332","","","0.0665","0.0717","","","","","","1.001","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213598","11.2576","0.0004","12.6293","0.0004","16.9504","0.0005","102.542","0.003","93.087","0.003","106.942","0.003","2232.56","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Ag4 I2 N8 O8 -","- C44 H34 Ag4 I2 N8 O8 -","- C88 H68 Ag8 I4 N16 O16 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0629","0.0453","","","0.1092","0.1176","","","","","","1.004","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213599","24.461","0.006","12.134","0.003","14.921","0.004","90","","114.525","0.004","90","","4029.1","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Dy N19 O17 -","- C24 H48 Dy N19 O17 -","- C96 H192 Dy4 N76 O68 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0333","0.0312","","","0.0832","0.0864","","","","","","1.003","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213600","24.3791","0.0012","12.1598","0.0006","14.82","0.0007","90","","114.394","0.001","90","","4001.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N19 O17 Tb -","- C24 H48 N19 O17 Tb -","- C96 H192 N76 O68 Tb4 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0381","0.034","","","0.0908","0.0965","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213601","7.392","0.0002","10.792","0.0003","11.641","0.0004","80.286","0.001","88.272","0.001","77.08","0.001","892.14","0.05","113","2","113","2","","","","","","","","6","P -1","-P 1","2","1","","","- C10 H14 Ag2 Cl2 N2 O12 -","- C10 H14 Ag2 Cl2 N2 O12 -","- C20 H28 Ag4 Cl4 N4 O24 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.022","0.0211","","","0.0547","0.0553","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213602","21.9957","0.0002","21.9957","0.0002","14.0739","0.0001","90","","90","","120","","5896.86","0.09","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","2","","","- C20 H20 Ag2 Cl2 N4 O12 -","- C20 H20 Ag2 Cl2 N4 O12 -","- C180 H180 Ag18 Cl18 N36 O108 -","9","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0504","0.0512","","","","","","1.158","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213603","13.3014","0.0003","13.3014","0.0003","5.9918","0.0002","90","","90","","120","","918.08","0.04","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","3","","","- C15 H15 Ag Cl N3 O8 -","- C15 H15 Ag Cl N3 O8 -","- C30 H30 Ag2 Cl2 N6 O16 -","2","0.166667","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0454","0.0412","","","0.1019","0.1051","","","","","","1.169","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213604","8.26718","0.00008","10.26639","0.00013","11.74637","0.00013","86.5046","0.001","81.1991","0.0009","88.269","0.0009","983.171","0.019","120","2","120","2","","","","","","","","7","P -1","-P 1","2","4","","","- C12 H10 Ag2 F6 N2 O8 S2 -","- C12 H10 Ag2 F6 N2 O8 S2 -","- C24 H20 Ag4 F12 N4 O16 S4 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0239","0.0206","","","0.0476","0.05","","","","","","1.095","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213605","7.5719","0.0004","7.8718","0.0004","9.8803","0.0006","104.448","0.005","108.242","0.005","96.225","0.004","530.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","1","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.7107","MoKα","","0.0285","0.0274","","","0.0678","0.0687","","","","","","1.032","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213606","8.765","0.003","10.24","0.004","12.354","0.005","103.59","0.005","104.227","0.006","91.636","0.004","1040.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O3 S2 -","- C22 H26 N2 O3 S2 -","- C44 H52 N4 O6 S4 -","2","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.71073","MoKα","","0.0606","0.0558","","","0.135","0.1383","","","","","","1.152","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213607","12.0822","0.0008","23.676","0.0016","29.4806","0.0019","90","","90","","90","","8433.2","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 N4 O4 Zn -","- C37 H28 N4 O4 Zn -","- C296 H224 N32 O32 Zn8 -","8","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0961","0.0707","","","0.1843","0.1966","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213608","13.749","0.0012","17.0006","0.0015","13.165","0.0011","90","","93.109","0.001","90","","3072.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd N4 O4 -","- C37 H26 Cd N4 O4 -","- C148 H104 Cd4 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0539","0.0446","","","0.1","0.1034","","","","","","0.954","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213609","11.9824","0.0013","32.547","0.004","10.7535","0.0012","90","","98.598","0.002","90","","4146.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cd N4 O5 -","- C47 H32 Cd N4 O5 -","- C188 H128 Cd4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0736","0.0653","","","0.1736","0.1797","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213610","11.6417","0.0011","32.11","0.003","10.837","0.0011","90","","98.525","0.002","90","","4006.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Co N4 O5 -","- C47 H32 Co N4 O5 -","- C188 H128 Co4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0655","0.0523","","","0.1324","0.1401","","","","","","0.953","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213611","19.407","0.007","13.628","0.005","16.307","0.006","90","","90","","90","","4313","3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 F6 N4 O4 Zn -","- C50 H32 F6 N4 O4 Zn -","- C200 H128 F24 N16 O16 Zn4 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0825","0.0637","","","0.1809","0.2015","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213612","19.414","0.004","13.605","0.002","16.216","0.003","90","","90","","90","","4283.1","1.3","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 Co F6 N4 O4 -","- C50 H32 Co F6 N4 O4 -","- C200 H128 Co4 F24 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.079","0.0454","","","0.1107","0.1246","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213613","17.6223","0.0008","6.783","0.0005","11.4011","0.0005","90","","90","","90","","1362.8","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O8 S -","- C10 H15 N O8 S -","- C40 H60 N4 O32 S4 -","4","0.5","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.1686","0.0621","","","0.0933","0.1153","","","","","","1.006","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213614","12.235","0.002","8.073","0.001","15.736","0.003","90","","105.62","0.01","90","","1496.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0521","0.0347","","","0.0968","0.1202","","","","","","1.013","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213615","13.1122","0.0003","9.5655","0.0002","14.8057","0.0005","90","","105.892","0.003","90","","1786.03","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O8 S -","- C14 H23 N O8 S -","- C56 H92 N4 O32 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0825","0.0377","","","0.0722","0.098","","","","","","1.001","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213616","11.9085","0.0014","17.017","0.002","17.936","0.002","74.992","0.002","90.255","0.002","88.732","0.002","3509.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cu7 N14 Nd3 O22 -","- C58 H42 Cu7 N14 Nd3 O22 -","- C116 H84 Cu14 N28 Nd6 O44 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.071","0.0454","","","0.0783","0.0867","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213617","11.8797","0.0008","17.3366","0.0012","17.9107","0.0013","74.332","0.001","88.418","0.001","86.236","0.001","3543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Eu3 N14 O23 -","- C58 H44 Cu7 Eu3 N14 O23 -","- C116 H88 Cu14 Eu6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0433","0.0343","","","0.0792","0.084","","","","","","1.019","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213618","11.8653","0.0011","17.36","0.0016","17.9132","0.0016","74.368","0.001","88.417","0.001","86.158","0.001","3545.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Gd3 N14 O23 -","- C58 H44 Cu7 Gd3 N14 O23 -","- C116 H88 Cu14 Gd6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0457","0.036","","","0.0843","0.0896","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213619","11.8612","0.0004","17.3255","0.0005","17.9096","0.0005","74.402","0.002","88.414","0.002","86.095","0.002","3536.5","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 N14 O23 Tb3 -","- C58 H44 Cu7 N14 O23 Tb3 -","- C116 H88 Cu14 N28 O46 Tb6 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0377","0.0277","","","0.056","0.0601","","","","","","0.993","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213620","11.83","0.0008","17.3115","0.0011","17.8851","0.0012","74.425","0.001","88.424","0.001","86.063","0.001","3519.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Dy3 N14 O23 -","- C58 H44 Cu7 Dy3 N14 O23 -","- C116 H88 Cu14 Dy6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0533","0.0389","","","0.0796","0.0867","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213621","9.896","0.002","16.21","0.004","18.443","0.004","92.002","0.003","103.58","0.003","92.51","0.003","2869.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0647","0.0462","","","0.0844","0.0911","","","","","","1.09","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213622","9.914","0.002","16.143","0.003","18.407","0.004","92.009","0.002","103.583","0.002","91.941","0.002","2859","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0638","0.0463","","","0.1039","0.1133","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213623","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C160 H104 Cu20 F20 N40 O68 S4 Tb16 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0353","0.0293","","","0.0686","0.0718","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213624","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C160 H104 Cu20 Dy16 F20 N40 O68 S4 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0417","0.036","","","0.0901","0.0948","","","","","","1.033","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213625","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0414","0.032","","","0.072","0.0767","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213626","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0469","0.0354","","","0.0786","0.0848","","","","","","1.03","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213627","17.8782","0.001","30.743","0.0018","9.0004","0.0005","90","","104.069","0.001","90","","4798.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 N10 O16 Tb2 -","- C42 H31 Cu5 N10 O16 Tb2 -","- C168 H124 Cu20 N40 O64 Tb8 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0385","0.0274","","","0.0539","0.0579","","","","","","1.034","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213628","17.857","0.004","30.693","0.007","8.995","0.002","90","","104.064","0.003","90","","4782.2","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 Dy2 N10 O16 -","- C42 H31 Cu5 Dy2 N10 O16 -","- C168 H124 Cu20 Dy8 N40 O64 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0551","0.0413","","","0.0819","0.0873","","","","","","1.077","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213629","10.5187","0.0003","9.635","0.0003","15.331","0.0004","90","","102.261","0.002","90","","1518.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N14 Ni O4 S2 -","- C28 H20 N14 Ni O4 S2 -","- C56 H40 N28 Ni2 O8 S4 -","2","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.063","0.0393","","","0.0797","0.0861","","","","","","1.062","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213630","9.6417","0.0006","10.264","0.0006","11.8286","0.0006","66.695","0.006","67.466","0.005","64.424","0.006","937.31","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","1","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.0542","0.0398","","0.0619","0.0486","0.046","","","","","","1.0813","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213631","10.9405","0.0003","25.4462","0.0006","13.6306","0.0004","90","","95.718","0.002","90","","3775.8","0.18","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N14 O4 S2 -","- C34 H32 Co N14 O4 S2 -","- C136 H128 Co4 N56 O16 S8 -","4","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.061","0.0485","","0.0526","0.0505","0.0503","","","","","","1.0977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213632","8.9041","0.0008","11.5928","0.0007","14.2517","0.001","71.388","0.006","81.39","0.007","88.826","0.006","1377.88","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 Ag5 F12 N3 O9 -","- C17 H6 Ag5 F12 N3 O9 -","- C34 H12 Ag10 F24 N6 O18 -","2","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.062","0.0511","","","0.1309","0.138","","","","","","1.065","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213633","16.0991","0.0016","8.8039","0.001","23.399","0.003","90","","120.917","0.007","90","","2845.2","0.6","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H8 Ag5 F12 N3 O10 -","- C17 H8 Ag5 F12 N3 O10 -","- C68 H32 Ag20 F48 N12 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.151","0.0884","","","0.1675","0.1955","","","","","","1.006","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213634","8.0193","0.0016","24.904","0.005","26.491","0.005","90","","93.01","0.03","90","","5283.3","1.8","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H46 Ag14 F30 N4 O27 S4 -","- C83 H46 Ag14 F30 N4 O27 S4 -","- C166 H92 Ag28 F60 N8 O54 S8 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.117","0.0988","","","0.2915","0.3087","","","","","","1.116","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213635","15.346","0.003","24.558","0.005","22.739","0.005","90","","109.46","0.03","90","","8080","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Ag9 N9 O22 S7 -","- C70 H58 Ag9 N9 O22 S7 -","- C280 H232 Ag36 N36 O88 S28 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.0827","0.0763","","","0.2095","0.2161","","","","","","1.081","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213636","7.5491","0.0005","8.7078","0.0005","10.824","0.0007","106.654","0.001","102.66","0.001","94.38","0.001","657.69","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Eu N O10 -","- C9 H12 Eu N O10 -","- C18 H24 Eu2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.015","0.0143","","","0.0361","0.0365","","","","","","1.046","","","","has coordinates,has disorder","194002","2020-10-21","18:00:00",""
"7213637","7.569","","8.766","","10.893","","106.6","","102.73","","94.14","","668.503","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Gd N O10 -","- C9 H10 Gd N O10 -","- C18 H20 Gd2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.032","0.0316","","","0.09","0.0903","","","","","","1.106","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213638","7.481","0.003","8.648","0.004","10.771","0.004","106.586","0.004","102.53","0.004","94.388","0.004","644.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Tb -","- C9 H10 N O9 Tb -","- C18 H20 N2 O18 Tb2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0398","0.0383","","","0.1014","0.1027","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213639","7.4292","0.0009","8.6094","0.0011","10.7126","0.0013","106.552","0.001","102.334","0.001","94.421","0.001","634.64","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","1","0.5","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0685","0.0602","","","0.1573","0.1652","","","","","","1.055","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213640","7.5714","0.001","8.7324","0.0012","10.8446","0.0015","106.671","0.001","102.674","0.001","94.37","0.001","662.67","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Sm -","- C9 H10 N O9 Sm -","- C18 H20 N2 O18 Sm2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0152","0.015","","","0.0388","0.0389","","","","","","1.071","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213641","7.2339","0.0004","22.332","0.0014","23.4396","0.0013","90","","90","","90","","3786.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0381","0.0367","","","0.112","0.1142","","","","","","1.108","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213642","7.2243","0.0006","22.315","0.002","23.376","0.002","90","","90","","90","","3768.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0693","0.0585","","","0.1708","0.1822","","","","","","0.927","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213643","12.1624","0.0009","13.1051","0.0013","17.8595","0.0016","106.905","0.005","94.129","0.002","97.344","0.004","2683.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Co2 N6 O15 S2 -","- C52 H52 Co2 N6 O15 S2 -","- C104 H104 Co4 N12 O30 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0635","0.0434","","","0.1164","0.1831","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213644","11.6947","0.0002","12.879","0.0003","17.9851","0.0003","82.552","0.002","71.924","0.002","72.78","0.002","2457.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cd2 N6 O12 S2 -","- C52 H46 Cd2 N6 O12 S2 -","- C104 H92 Cd4 N12 O24 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0294","0.024","","","0.0543","0.058","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213645","11.439","0.005","14.807","0.005","19.751","0.005","82.658","0.005","86.874","0.005","76.935","0.005","3231","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Dy Mn3 N6 Na O23 -","- C56 H85 Dy Mn3 N6 Na O23 -","- C112 H170 Dy2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0926","0.0713","","","0.1915","0.2127","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213646","11.455","0.005","14.841","0.005","19.776","0.005","82.715","0.005","87.032","0.005","76.958","0.005","3248","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na O23 Tb -","- C56 H85 Mn3 N6 Na O23 Tb -","- C112 H170 Mn6 N12 Na2 O46 Tb2 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0716","0.0587","","","0.1536","0.1676","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213647","11.405","0.005","14.776","0.005","19.775","0.005","82.63","0.005","86.886","0.005","76.901","0.005","3218","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Gd Mn3 N6 Na O23 -","- C56 H85 Gd Mn3 N6 Na O23 -","- C112 H170 Gd2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1473","0.0966","","","0.242","0.2829","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213648","11.45","0.005","14.85","0.005","19.884","0.005","82.488","0.005","86.821","0.005","76.78","0.005","3262","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na Nd O23 -","- C56 H85 Mn3 N6 Na Nd O23 -","- C112 H170 Mn6 N12 Na2 Nd2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1275","0.0818","","","0.2346","0.2757","","","","","","1.102","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213649","36.831","0.003","6.1181","0.0004","12.2456","0.0012","90","","99.224","0.007","90","","2723.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Bastien, Guillaume; Lemouchi, Cyprien; Allain, Magali; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Changing gears to neutral in a polymorph of one-dimensional arrays of cogwheel-like pairs of molecular rotors","CrystEngComm","2014","16","7","1241","","10.1039/c3ce42054j","","x-ray","0.71073","MoKα","","0.1565","0.059","","","0.1181","0.1512","","","","","","1.029","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213650","11.8637","0.0016","13.8353","0.0018","14.0619","0.0018","111.781","0.001","113.229","0.001","92.745","0.002","1917.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N6 Ni O14 -","- C40 H36 N6 Ni O14 -","- C80 H72 N12 Ni2 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0487","0.0416","","","0.104","0.1105","","","","","","1.031","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213651","10.574","0.003","23.672","0.006","14.903","0.004","90","","104.379","0.003","90","","3613.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N6 O13 -","- C40 H34 Co N6 O13 -","- C160 H136 Co4 N24 O52 -","4","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0485","0.035","","","0.0838","0.0924","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213652","7.8867","0.0012","11.0204","0.0017","16.859","0.003","84.453","0.002","89.358","0.002","75.087","0.002","1409.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cr N4 O14 -","- C27 H20.962 Cr N4 O14 -","- C54 H41.924 Cr2 N8 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0666","0.0573","","","0.1532","0.163","","","","","","1.058","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213653","12.058","0.0012","13.9067","0.0014","14.0032","0.0015","111.967","0.001","115.126","0.001","94.003","0.002","1897.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N6 O14 -","- C40 H36 Cd N6 O14 -","- C80 H72 Cd2 N12 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0337","0.0318","","","0.086","0.0874","","","","","","1.084","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213654","11.2796","0.0005","16.9872","0.0008","33.1264","0.0017","90","","92.11","0.004","90","","6343","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(4-CV)2]n.2nH2O","","","- C60 H44 Co4 N18 O14 -","- C60 H40 Co4 N18 O14 -","- C240 H160 Co16 N72 O56 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0566","0.0494","","","0.1519","0.1584","","","","","","1.063","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213655","11.2319","0.0009","17.004","0.0013","33.097","0.003","90","","95.524","0.006","90","","6291.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(3-CV)2]n.nH2O","","","- C60 H42 Co4 N18 O13 -","- C60 H40 Co4 N18 O13 -","- C240 H160 Co16 N72 O52 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0706","0.0566","","","0.1163","0.1234","","","","","","1.1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213656","8.6131","0.0009","13.4894","0.0013","22.967","0.003","90","","97.547","0.007","90","","2645.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu6(N3)14(4-CV)2]n","","","- C36 H28 Cu6 N48 -","- C36 H28 Cu6 N48 -","- C72 H56 Cu12 N96 -","2","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0774","0.0637","","","0.1589","0.1685","","","","","","1.054","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213657","8.3731","0.0017","8.4927","0.0017","13.562","0.003","90.66","0.03","98.89","0.03","110.09","0.03","892.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Mn2 N8 O7 -","- C13 H12 Mn2 N8 O7 -","- C26 H24 Mn4 N16 O14 -","2","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0661","0.0525","","","0.1121","0.1179","","","","","","1.129","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213658","24.124","0.003","24.124","0.003","7.4767","0.0015","90","","90","","120","","3768.2","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H5 Mn N O5 -","- C7 H5 Mn N O5 -","- C126 H90 Mn18 N18 O90 -","18","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0629","0.0469","","","0.0779","0.0823","","","","","","1.155","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213659","8.0959","0.0004","18.776","0.001","7.9719","0.0004","90","","111.19","0.003","90","","1129.86","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Li O6 -","- C12 H11 Li O6 -","- C48 H44 Li4 O24 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0533","0.0418","","","0.1164","0.1267","","","","","","1.042","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213660","18.2186","0.0006","18.2186","0.0006","8.688","0.0003","90","","90","","120","","2497.36","0.14","295","2","295","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H13 N Na2 O5 -","- C15 H13 N Na2 O5 -","- C90 H78 N6 Na12 O30 -","6","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0788","0.0491","","","0.1173","0.132","","","","","","1.06","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7213661","14.7579","0.0002","30.9679","0.0004","11.3786","0.0002","90","","90","","90","","5200.26","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Mg2 O11 -","- C24 H17 Mg2 O11 -","- C192 H136 Mg16 O88 -","8","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0987","0.0647","","","0.1748","0.1906","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213662","6.7017","0.0001","14.3958","0.0003","14.9405","0.0003","90","","90","","90","","1441.4","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0349","0.0302","","","0.0687","0.0714","","","","","","1.024","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213663","6.8883","0.0001","14.7074","0.0002","14.981","0.0002","90","","90","","90","","1517.71","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.028","0.0257","","","0.0757","0.0772","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213664","7.1269","0.0003","14.6724","0.0006","15.0027","0.0005","90","","90","","90","","1568.81","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ba N O5 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0316","0.0273","","","0.0498","0.0512","","","","","","1.012","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213665","10.944","0.0003","65.6499","0.0013","11.2294","0.0003","90","","110.447","0.003","90","","7559.7","0.4","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 Br6 N12 O14 -","- C82 H50 Br6 N12 O14 -","- C328 H200 Br24 N48 O56 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1237","0.0747","","","0.1398","0.1587","","","","","","1.096","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213666","14.0441","0.0004","19.1432","0.0003","19.1482","0.0004","90","","90","","90","","5148","0.2","294","2","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C211.2 H115.2 Br16 Cl9.6 N32 O32 -","4","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","1.54184","CuKα","","0.0516","0.044","","","0.1154","0.1224","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213667","12.815","0.0006","13.6159","0.0005","25.7452","0.0011","84.442","0.003","87.666","0.004","80.07","0.004","4402.8","0.3","294","2","294","1","","","","","","","","6","P -1","-P 1","2","11-124_(26BrIO)3_2CHCl3","","","- C38 H20 Br3 Cl6 N9 O6 -","- C38 H20 Br3 Cl6 N9 O6 -","- C152 H80 Br12 Cl24 N36 O24 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1883","0.0793","","","0.1463","0.1931","","","","","","1.012","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213668","12.239","0.0005","13.6149","0.0005","13.6447","0.0005","100.749","0.003","99.99","0.003","95.463","0.003","2180.69","0.15","294","2","294","1","","","","","","","","6","P -1","-P 1","2","(26BrIO)3_CH2Cl2_[11-125]","","","- C38 H22 Br3 Cl4 N9 O6 -","- C38 H22 Br3 Cl4 N9 O6 -","- C76 H44 Br6 Cl8 N18 O12 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1119","0.0667","","","0.1607","0.1867","","","","","","1.013","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213669","10.5779","0.0003","13.2805","0.0003","40.7855","0.0013","90","","95.936","0.002","90","","5698.8","0.3","294","2","294","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C199.6 H107.6 Br16 Cl22.8 N48 O34 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1177","0.0763","","","0.182","0.2053","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213670","15.3403","0.001","21.9052","0.001","16.9452","0.0014","90","","113.426","0.001","90","","5224.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26.5 Cl Co0.5 N4 O4.25 -","- C24 H24 Cl Co0.5 N4 O3.25 -","- C192 H192 Cl8 Co4 N32 O26 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0785","0.0683","","","0.2349","0.2463","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213671","18.563","0.0009","12.6014","0.0006","19.9775","0.001","90","","90","","90","","4673.1","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu N4 O2 -","- C24 H22 Cl2 Cu N4 O2 -","- C192 H176 Cl16 Cu8 N32 O16 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.044","0.0337","","","0.0828","0.0897","","","","","","1.049","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213672","10.3233","0.0006","10.9891","0.0006","13.3452","0.0008","79.573","0.001","85.122","0.001","75.565","0.001","1440.66","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Cu N7 O9 -","- C27 H29 Cu N7 O9 -","- C54 H58 Cu2 N14 O18 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0321","0.0286","","","0.0761","0.0782","","","","","","1.056","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213673","9.8299","0.0004","11.2063","0.0005","11.6827","0.0005","102.816","0.001","103.306","0.001","98.245","0.001","1195.26","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cu N4 O6 S -","- C24 H22 Cu N4 O6 S -","- C48 H44 Cu2 N8 O12 S2 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0912","0.0853","","","0.2243","0.2304","","","","","","1.049","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213674","12.7947","0.0005","16.9353","0.0007","18.0105","0.0008","90","","104.74","0.001","90","","3774.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Co N6 O8 -","- C38 H40 Co N6 O8 -","- C152 H160 Co4 N24 O32 -","4","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0617","0.0456","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213675","21.6962","0.0017","16.6659","0.0017","17.1799","0.0015","90","","102.019","0.002","90","","6075.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H33.5 Cu N4 O8.25 -","- C28.5 H30 Cu N4 O8.25 -","- C228 H240 Cu8 N32 O66 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.1108","0.0634","","","0.1724","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213676","9.7066","0.0005","10.7611","0.0005","13.1318","0.0006","112.448","0.001","96.662","0.001","103.768","0.001","1198.16","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N4 O2 -","- C24 H22 Cl2 Co N4 O2 -","- C48 H44 Cl4 Co2 N8 O4 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.032","0.0283","","","0.0725","0.0748","","","","","","1.047","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213677","12.191","0.005","13.18","0.005","13.506","0.005","92.714","0.005","109.859","0.005","110.756","0.005","1873.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71069","MoKα","","0.0987","0.0715","","","0.1865","0.2044","","","","","","1.081","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213678","11.0152","0.0005","11.7744","0.0005","12.4173","0.0006","70.921","0.001","86.69","0.001","89.694","0.001","1519.33","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0216","0.0198","","","0.0525","0.0538","","","","","","1.018","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213679","16.437","0.004","21.933","0.006","21.811","0.006","90","","100.372","0.003","90","","7735","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cu5 N36 O47 P W12 -","- C30 H18 Cu5 N36 O47 P W12 -","- C120 H72 Cu20 N144 O188 P4 W48 -","4","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.1326","0.0857","","","0.2171","0.2419","","","","","","1.087","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213680","10.7704","0.0005","11.2485","0.0005","12.3945","0.0005","63.892","0.005","66.121","0.004","73.689","0.007","1223.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0325","0.0268","","","0.0663","0.0692","","","","","","1.031","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213681","13.47","0.004","25.55","0.007","9.964","0.003","90","","91.569","0.004","90","","3427.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Cl6 N6 O14 Pr2 -","- C72 H50 Cl6 N6 O14 Pr2 -","- C144 H100 Cl12 N12 O28 Pr4 -","2","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0576","0.0347","","","0.0682","0.0766","","","","","","0.984","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213682","9.8762","0.0014","13.3762","0.0019","13.76","0.002","85.263","0.002","85.703","0.002","71.627","0.002","1716.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0615","0.0434","","","0.0957","0.1048","","","","","","1.038","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213683","9.87","0.004","13.299","0.005","13.741","0.005","85.436","0.006","85.671","0.005","71.838","0.005","1705.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0801","0.056","","","0.1133","0.1245","","","","","","1.013","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213684","8.676","0.005","13.215","0.005","14.791","0.005","100.259","0.005","98.005","0.005","92.052","0.005","1649.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Sm -","- C36 H25 Cl3 N3 O7 Sm -","- C72 H50 Cl6 N6 O14 Sm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0299","0.0255","","","0.0587","0.0601","","","","","","1.049","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213685","9.938","0.003","13.296","0.003","13.692","0.003","85.412","0.004","85.738","0.004","71.375","0.004","1706.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0578","0.0446","","","0.0917","0.0978","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213686","8.694","0.003","13.21","0.004","14.787","0.005","100.236","0.006","97.994","0.006","92.172","0.006","1651.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Eu N3 O7 -","- C36 H25 Cl3 Eu N3 O7 -","- C72 H50 Cl6 Eu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.082","0.0516","","","0.0907","0.1033","","","","","","0.974","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213687","8.6934","0.0009","13.1762","0.0013","14.7709","0.0015","100.235","0.001","97.94","0.001","92.176","0.001","1645.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Gd N3 O7 -","- C36 H25 Cl3 Gd N3 O7 -","- C72 H50 Cl6 Gd2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0556","0.0387","","","0.0751","0.0812","","","","","","1.02","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213688","8.684","0.005","13.13","0.005","14.77","0.005","100.221","0.005","97.912","0.005","92.257","0.005","1638.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tb -","- C36 H25 Cl3 N3 O7 Tb -","- C72 H50 Cl6 N6 O14 Tb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0493","0.0368","","","0.0784","0.0817","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213689","8.689","0.005","13.109","0.005","14.771","0.005","100.206","0.005","97.819","0.005","92.396","0.005","1636.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Dy N3 O7 -","- C36 H23 Cl3 Dy N3 O7 -","- C72 H46 Cl6 Dy2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0635","0.046","","","0.0934","0.0993","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213690","8.703","0.002","13.1","0.003","14.761","0.004","100.253","0.004","97.766","0.004","92.399","0.004","1637.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Ho N3 O7 -","- C36 H25 Cl3 Ho N3 O7 -","- C72 H50 Cl6 Ho2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0729","0.0468","","","0.0812","0.0907","","","","","","0.994","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213691","8.7004","0.0018","13.066","0.003","14.779","0.003","100.219","0.003","97.697","0.003","92.384","0.003","1634.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Er N3 O7 -","- C36 H23 Cl3 Er N3 O7 -","- C72 H46 Cl6 Er2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0785","0.0507","","","0.1049","0.118","","","","","","0.986","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213692","8.692","0.005","13.033","0.005","14.775","0.005","100.252","0.005","97.701","0.005","92.426","0.005","1628.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tm -","- C36 H25 Cl3 N3 O7 Tm -","- C72 H50 Cl6 N6 O14 Tm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0472","0.0359","","","0.0722","0.0754","","","","","","0.967","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213693","8.6999","0.0008","13.0183","0.0012","14.8094","0.0014","100.207","0.001","97.549","0.001","92.53","0.001","1632.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Yb -","- C36 H25 Cl3 N3 O7 Yb -","- C72 H50 Cl6 N6 O14 Yb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0416","0.0323","","","0.0622","0.066","","","","","","1.001","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213694","8.701","0.0008","13.0007","0.0012","14.7847","0.0014","100.22","0.002","97.514","0.002","92.537","0.002","1627.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Lu N3 O7 -","- C36 H23 Cl3 Lu N3 O7 -","- C72 H46 Cl6 Lu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0648","0.0444","","","0.0797","0.0888","","","","","","0.997","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213695","8.706","0.003","13.108","0.005","14.788","0.005","100.278","0.006","97.723","0.006","92.392","0.006","1641.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Y -","- C36 H25 Cl3 N3 O7 Y -","- C72 H50 Cl6 N6 O14 Y2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1031","0.1241","","","","","","0.977","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213696","21.065","0.005","12.657","0.003","11.992","0.003","90","","90","","90","","3197.3","1.3","100","3","100","3","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C16 H112 Br O38 P -","- C16 H102.5 Br O38 P -","- C32 H205 Br2 O76 P2 -","2","0.25","","Muromachi, Sanehiro; Takeya, Satoshi; Yamamoto, Yoshitaka; Ohmura, Ryo","Characterization of tetra-n-butylphosphonium bromide semiclathrate hydrate by crystal structure analysis","CrystEngComm","2014","16","10","2056","","10.1039/c3ce41942h","","","0.7107","MoKα","","0.0715","0.0646","","","0.1858","0.1899","","","","","","1.119","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213697","10.4352","0.0016","9.1374","0.0013","42.862","0.007","90","","90.359","0.003","90","","4086.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F5 N3 O3 -","- C21 H20 F5 N3 O3 -","- C168 H160 F40 N24 O24 -","8","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1029","0.0638","","","0.1644","0.1862","","","","","","1.002","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213698","6.303","0.006","7.483","0.007","17.132","0.015","85.192","0.018","81.417","0.018","83.941","0.018","792.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F5 N2 O2 -","- C17 H13 F5 N2 O2 -","- C34 H26 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0886","0.0565","","","0.1549","0.175","","","","","","1.009","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213699","6.214","0.006","7.246","0.007","15.518","0.014","93.009","0.012","96.517","0.012","95.237","0.013","689.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 -","- C15 H9 F5 N2 O2 -","- C30 H18 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1059","0.089","","","0.2421","0.2584","","","","","","1.091","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213700","18.85","0.003","9.519","0.0013","13.5917","0.0019","90","","100.231","0.002","90","","2400","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F5 N3 O3 -","- C25 H28 F5 N3 O3 -","- C100 H112 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0922","0.0811","","","0.3056","0.3173","","","","","","1.233","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213701","8.796","0.0009","20.174","0.002","10.7947","0.0012","90","","105.704","0.003","90","","1844","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F5 N2 O2 -","- C19 H17 F5 N2 O2 -","- C76 H68 F20 N8 O8 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0858","0.0463","","","0.1133","0.1318","","","","","","1.013","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213702","6.235","0.004","7.257","0.005","32.88","0.02","87.826","0.013","89.408","0.012","84.552","0.013","1479.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F5 N2 O2 -","- C16 H11 F5 N2 O2 -","- C64 H44 F20 N8 O8 -","4","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0885","0.0749","","","0.222","0.2331","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213703","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213704","16.8272","0.0018","9.5857","0.001","13.9962","0.0014","90","","91.955","0.002","90","","2256.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0704","0.0442","","","0.1268","0.1439","","","","","","0.982","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213705","5.434","0.004","9.157","0.007","24.3","0.019","90","","90","","90","","1209.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0454","0.0377","","","0.1027","0.1093","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213706","24.102","0.002","11.0566","0.0009","21.667","0.002","90","","90.299","0.003","90","","5773.9","0.9","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C64 H192 Ag8 I36 La4 O32 Pb8 S32 -","4","0.5","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0653","0.0573","","","0.1472","0.1529","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213707","10.6777","0.001","24.857","0.002","22.051","0.002","90","","90","","90","","5852.7","0.9","223","2","223","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 Gd I9 O8 Pb2 S8 -","- C16 Ag2 Gd I9 O8 Pb2 S8 -","- C64 Ag8 Gd4 I36 O32 Pb8 S32 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.077","0.0557","","","0.1573","0.1796","","","","","","1.047","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213708","10.717","0.002","24.883","0.005","21.972","0.004","90","","90","","90","","5859.3","1.9","293","2","293","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 I9 O8 Pb2 S8 Tm -","- C16 Ag2 I9 O8 Pb2 S8 Tm -","- C64 Ag8 I36 O32 Pb8 S32 Tm4 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0641","0.0561","","","0.1022","0.1048","","","","","","1.278","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213709","18.634","0.003","15.6835","0.0017","24.675","0.003","90","","107.995","0.003","90","","6858.4","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 La O9 Pb4 S9 -","- C18 H30 I11 La O9 Pb4 S9 -","- C72 H120 I44 La4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.065","0.0428","","","0.0996","0.1205","","","","","","1.106","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213710","18.549","0.004","15.654","0.003","24.592","0.005","90","","107.85","0.03","90","","6797","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 O9 Pb4 Pr S9 -","- C18 H24 I11 O9 Pb4 Pr S9 -","- C72 H96 I44 O36 Pb16 Pr4 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0683","0.0719","","","0.0938","0.1049","","","","","","1.11","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213711","18.6984","0.0019","15.5382","0.0012","24.498","0.003","90","","108.218","0.002","90","","6760.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 Nd O9 Pb4 S9 -","- C18 H48 I11 Nd O9 Pb4 S9 -","- C72 H192 I44 Nd4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0506","0.0328","","","0.0626","0.0909","","","","","","1.111","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213712","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Su, Xin; Pan, Shilie; Zhang, Min; Wang, Ying; Han, Jian; Yang, Zhihua","Crystal growth and calculation of the electronic band structure and density of states of Li3Cs2B5O10","CrystEngComm","2014","16","10","1978","","10.1039/c3ce42084a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213713","18.4648","0.001","18.9507","0.001","12.1406","0.0007","90","","114.522","0.001","90","","3865.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0608","0.0589","","","0.1832","0.1856","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213714","18.4469","0.001","18.9875","0.0011","12.1745","0.0007","90","","114.546","0.001","90","","3878.9","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0582","0.0548","","","0.1711","0.1777","","","","","","1.069","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213715","18.4558","0.0011","19.0332","0.0011","12.2097","0.0008","90","","114.555","0.001","90","","3901.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0507","0.0475","","","0.1356","0.1383","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213716","18.4183","0.0015","19.1626","0.0016","12.278","0.001","90","","114.633","0.001","90","","3939.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0339","0.0262","","","0.062","0.0654","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213717","17.9843","0.0018","14.9569","0.0014","22.464","0.002","90","","111.631","0.002","90","","5617","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cu2 I2 N6 -","- C24 H30 Cu2 I2 N6 -","- C192 H240 Cu16 I16 N48 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0818","0.0445","","","0.08","0.091","","","","","","0.856","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213718","8.156","0.0002","10.4612","0.0003","12.4373","0.0004","70.127","0.001","84.695","0.002","79.552","0.002","980.88","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","1","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0449","0.0323","","","0.073","0.0781","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213719","7.9852","0.0003","24.5926","0.0011","9.3471","0.0004","90","","100.87","0.003","90","","1802.62","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C72 H52 Cl4 Cu4 N16 O24 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0793","0.0579","","","0.1444","0.1582","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213720","13.4187","0.0006","12.5647","0.0006","21.7018","0.0005","90","","100.669","0.003","90","","3595.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Cu4 N16 O25 -","- C64 H82 Cu4 N16 O25 -","- C128 H164 Cu8 N32 O50 -","2","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.106","0.0548","","","0.1105","0.1289","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213721","8.7094","0.0003","9.5978","0.0003","10.6996","0.0003","96.294","0.002","102.423","0.002","95.889","0.002","860.82","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C20 H34 Cl2 Cu2 N4 O16 S4 -","2","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0511","0.0335","","","0.0778","0.0847","","","","","","1.025","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213722","10.9002","0.0003","12.4076","0.0004","12.8803","0.0002","90","","98.5","0.002","90","","1722.87","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C40 H68 Cl4 Cu4 N8 O32 S8 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0435","0.0318","","","0.0711","0.076","","","","","","1.063","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213723","16.1013","0.0004","12.1614","0.0002","18.9485","0.0005","90","","90","","90","","3710.39","0.15","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C144 H104 Cl8 Cu8 N32 O48 -","8","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0578","0.0419","","","0.1155","0.1275","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213724","14.1287","0.0007","8.6553","0.0003","15.737","0.0008","90","","110.535","0.002","90","","1802.17","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O12 -","- C12 H12 Cl2 Cu N4 O12 -","- C48 H48 Cl8 Cu4 N16 O48 -","4","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0404","0.0323","","","0.0857","0.0912","","","","","","1.059","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213725","27.908","0.005","27.908","0.005","6.521","0.005","90","0.005","90","0.005","90","0.005","5079","4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","0.5","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1679","0.0749","","","0.1921","0.2462","","","","","","1.141","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213726","8.5234","0.0015","10.7419","0.0019","14.505","0.003","73.507","0.002","83.091","0.002","76.901","0.002","1238","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71073","MoKα","","0.1809","0.0943","","","0.2441","0.3201","","","","","","1.059","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213727","10.976","0.005","12.928","0.005","18.049","0.005","90.231","0.005","92.082","0.005","113.369","0.005","2349","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cl2 N7 O9 Zn -","- C50 H40 Cl2 N7 O9 Zn -","- C100 H80 Cl4 N14 O18 Zn2 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1143","0.0731","","","0.2088","0.2326","","","","","","1.325","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213728","12.0653","0.0005","29.4244","0.0012","7.6893","0.0003","90","","90","","90","","2729.81","0.19","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form H2","","","- C15 H20 N2 O2 -","- C15 H18 N2 O1.9435 -","- C120 H144 N16 O15.548 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.1092","0.0497","","","0.0793","0.0912","","","","","","0.827","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213729","14.7583","0.0014","29.841","0.003","7.5013","0.0008","90","","90","","90","","3303.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form S1","","","- C17.5 H24 N2 O1.5 -","- C17.5 H24 N2 O1.5 -","- C140 H192 N16 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0879","0.0575","","","0.1286","0.143","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213730","8.0666","0.0006","16.294","0.0012","12.7096","0.001","90","","94.054","0.004","90","","1666.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup A Form S4","","","- C18 H25 N2 O -","- C18 H25 N2 O -","- C72 H100 N8 O4 -","4","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0433","0.0422","","","0.1168","0.1186","","","","","","1.042","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213731","12.1","0.002","29.76","0.006","7.7","0.0015","90","","90","","90","","2772.7","0.9","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form s3","","","- C15.25 H18.75 N2.25 O1.5 -","- C15.25 H18.75 N2.25 O1.5 -","- C122 H150 N18 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0821","0.056","","","0.1505","0.1681","","","","","","1.023","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213732","19.9216","0.0004","7.4733","0.0001","15.2146","0.0003","90","","130.274","0.001","90","","1728.22","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Hup A Form S2","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0369","0.0361","","","0.1011","0.102","","","","","","1.053","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213733","11.1699","0.0002","14.0489","0.0003","27.7447","0.0003","102.364","0.001","97.794","0.001","100.39","0.002","4113.77","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H63 Cl Cu5 I4 N6 O25 Sm3 -","- C74 Cl Cu5 I4 N6 O25 Sm3 -","- C148 Cl2 Cu10 I8 N12 O50 Sm6 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","1.54178","CuKα","","0.0881","0.076","","","0.2019","0.2164","","","","","","0.991","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213734","11.2148","0.0002","17.3605","0.0002","26.9709","0.0005","84.067","0.001","85.012","0.002","71.92","0.002","4956.7","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H142 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","1","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","0.71073","MoKα","","0.0534","0.0475","","","0.1328","0.1382","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213735","10.6782","0.0002","8.3255","0.0001","20.312","0.0005","90","","105.218","0.003","90","","1742.44","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","","- C17 H16 N4 O4 S -","- C17 H16 N4 O4 S -","- C68 H64 N16 O16 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0397","0.0366","","","0.1008","0.1048","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213736","14.3069","0.0003","7.0786","0.0002","14.4568","0.0006","90","","91.803","0.002","90","","1463.36","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0352","0.0334","","","0.0975","0.0995","","","","","","1.07","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213737","7.317","0.0001","13.0149","0.0002","16.1806","0.0002","90","","90","","90","","1540.88","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.029","0.0275","","","0.0756","0.0772","","","","","","1.065","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213738","8.1464","0.0003","8.3969","0.0003","11.1659","0.0004","86.728","0.003","84.54","0.003","86.4","0.003","757.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0388","0.0346","","","0.1022","0.1081","","","","","","0.972","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213739","26.6368","0.001","7.1909","0.0002","8.6143","0.0003","90","","112.741","0.004","90","","1521.74","0.1","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0517","0.0419","","","0.1273","0.1377","","","","","","1.043","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213740","14.1043","0.0002","8.4919","0.0001","28.3452","0.0004","90","","93.671","0.002","90","","3388","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C144 H152 N24 O24 S8 -","8","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.062","0.06","","","0.1888","0.1915","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213741","6.6454","0.0001","10.9886","0.0002","21.2138","0.0004","90","","90","","90","","1549.11","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0308","0.0297","","","0.0806","0.0818","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213742","8.2437","0.0004","9.5959","0.0005","11.1377","0.0006","95.383","0.004","107.003","0.004","112.475","0.005","757.18","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C32 H30 N6 O6 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0373","0.0348","","","0.0991","0.1024","","","","","","0.962","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213743","8.4612","0.0003","8.35","0.0003","24.9103","0.0009","90","","94.49","0.003","90","","1754.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0608","0.0533","","","0.1526","0.1637","","","","","","1.041","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213744","8.5087","0.0005","9.0853","0.0006","19.3952","0.0008","89.564","0.004","79.817","0.004","73.739","0.006","1415.28","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.1163","0.0851","","","0.2201","0.2664","","","","","","1.05","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213745","6.3407","0.0001","16.6106","0.0004","14.4754","0.0003","90","","90","","90","","1524.59","0.05","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.057","0.0565","","","0.1507","0.152","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213746","9.215","0.0003","18.8491","0.0005","10.429","0.0003","90","","100.392","0.003","90","","1781.75","0.09","284","2","284","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0441","0.0333","","","0.0725","0.0781","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213747","9.2224","0.0007","18.8786","0.0013","10.4661","0.0008","90","","100.366","0.007","90","","1792.5","0.2","323","2","323","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0754","0.0434","","","0.0823","0.0996","","","","","","1.081","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213748","9.2249","0.0009","18.8564","0.0013","10.4413","0.0011","90","","100.292","0.01","90","","1787","0.3","353","2","353","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0689","0.0444","","","0.0874","0.1007","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213749","9.2121","0.0008","18.8386","0.0013","10.4187","0.001","90","","100.408","0.009","90","","1778.3","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0853","0.0488","","","0.0847","0.1047","","","","","","1.06","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213750","8.4724","0.0015","9.3461","0.0017","11.4906","0.0019","82.012","0.002","76.92","0.002","69.835","0.002","830.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N4 O8 Zn2 -","- C15 H7 N4 O8 Zn2 -","- C30 H14 N8 O16 Zn4 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0399","0.0382","","","0.1037","0.1049","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213751","9.1794","0.0009","9.46","0.0009","11.1538","0.001","90.726","0.001","100.252","0.001","105.265","0.001","917.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cd2 N4 O9 -","- C15 H7 Cd2 N4 O9 -","- C30 H14 Cd4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.031","0.0244","","","0.057","0.0604","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213752","9.117","0.016","9.452","0.016","10.914","0.019","97.53","0.03","92.11","0.02","103.25","0.03","905","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Co2 N4 O9 -","- C15 H7 Co2 N4 O9 -","- C30 H14 Co4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0877","0.0603","","","0.1572","0.1768","","","","","","1.022","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213753","12.9517","0.0017","14.733","0.002","20.052","0.003","90","","129.256","0.008","90","","2962.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu3 N28 O2 -","- C30 H30 Cu3 N28 O2 -","- C60 H60 Cu6 N56 O4 -","2","0.5","","Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","A porous metal organic framework with a bcu-type topology involving in situ ligand formation ‒ synthesis, structure, magnetic property and gas adsorption studies","CrystEngComm","2014","16","3","369","","10.1039/c3ce41612g","","","0.71073","MoKα","","0.1281","0.0634","","","0.1371","0.1537","","","","","","0.905","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213754","9.4435","0.0004","11.7657","0.0005","14.9918","0.0007","110.335","0.002","90.018","0.002","93.142","0.002","1559.23","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 La2 O20 P6 -","- C18 H22 F6 La2 O20 P6 -","- C36 H44 F12 La4 O40 P12 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0805","0.0512","","","0.1148","0.1266","","","","","","1.083","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213755","9.7829","0.0005","9.9524","0.0005","17.051","0.0009","90","","100.424","0.002","90","","1632.74","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 F3 O11 P3 -","- C9 H16 F3 O11 P3 -","- C36 H64 F12 O44 P12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0449","0.0345","","","0.0924","0.0977","","","","","","1.054","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213756","8.1025","0.0003","8.7996","0.0003","14.951","0.0006","90","","90","","90","","1065.99","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 Cl3 F3 -","- C9 H6 Cl3 F3 -","- C36 H24 Cl12 F12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0399","0.0314","","","0.0671","0.0717","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213757","10.3141","0.0006","10.5339","0.0006","15.0122","0.001","69.566","0.003","71.856","0.003","69.669","0.003","1399.25","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 F3 O9 P3 -","- C21 H36 F3 O9 P3 -","- C42 H72 F6 O18 P6 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.1017","0.052","","","0.1122","0.1298","","","","","","1.021","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213758","12.3512","0.0007","20.7502","0.0012","18.8896","0.0011","90","","90.759","0.001","90","","4840.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H31 Dy3 N2 O20 -","- C46 H31 Dy3 N2 O20 -","- C184 H124 Dy12 N8 O80 -","4","1","","Liu, Qing-Yan; Li, Yi-Lei; Wang, Yu-Ling; Liu, Cai-Ming; Ding, Li-Wen; Liu, Ying","Ionothermal synthesis of a 3D dysprosium‒1,4-benzenedicarboxylate framework based on the 1D rod-shaped dysprosium‒carboxylate building blocks exhibiting slow magnetization relaxation","CrystEngComm","2014","16","3","486","","10.1039/c3ce41624k","","","0.71073","MoKα","","0.0439","0.0256","","","0.0566","0.0647","","","","","","1.001","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213759","7.126","0.0014","10.736","0.002","10.971","0.002","60.99","0.03","89.03","0.03","86.86","0.03","732.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C42 H24 N4 -","- C42 H24 N4 -","- C42 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0851","0.0509","","","0.1182","0.1394","","","","","","0.896","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213760","7.2362","0.0015","11.072","0.003","11.308","0.003","62.06","0.02","86.353","0.019","81.766","0.019","792.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C48 H26 N4 -","- C48 H26 N4 -","- C48 H26 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1154","0.0903","","","0.2492","0.2735","","","","","","1.077","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213761","7.004","0.002","10.09","0.005","11.783","0.005","107.42","0.05","106.46","0.03","93.44","0.04","752.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex (2:1)","","- C44 H24 N4 -","- C44 H24 N4 -","- C44 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1418","0.0945","","","0.2292","0.2737","","","","","","0.977","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213762","6.9917","0.0014","10.069","0.002","14.671","0.003","90","","103.52","0.03","90","","1004.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0407","0.0337","","","0.0792","0.0823","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213763","7.1533","0.0005","7.9721","0.0005","9.2258","0.0005","80.107","0.005","89.79","0.005","86.67","0.005","517.41","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Chrysene-7,7,8,8-tetracyanoquinodimethane complex","","- C30 H16 N4 -","- C30 H16 N4 -","- C30 H16 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0372","0.033","","","0.0887","0.0916","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213764","6.7083","0.0009","8.0897","0.0012","9.118","0.002","101.212","0.016","97.72","0.015","99.521","0.012","471.54","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Phenanthrene-7,7,8,8-tetracyanoquinodimethane complex","","- C26 H14 N4 -","- C26 H14 N4 -","- C26 H14 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1716","0.0761","","","0.1763","0.2282","","","","","","0.967","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213765","7.4928","0.001","7.8003","0.001","8.1026","0.0011","84.297","0.006","81.124","0.006","61.343","0.005","410.4","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-TCNQ complex","","- C22 H12 N4 -","- C22 H12 N4 -","- C22 H12 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.035","0.0292","","","0.0795","0.0833","","","","","","1.054","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213766","7.9666","0.0016","9.4084","0.0019","9.6154","0.0019","89.66","0.03","71.19","0.03","69.77","0.03","635.6","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cu I N3 O -","- C12 H11 Cu I N3 O -","- C24 H22 Cu2 I2 N6 O2 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0945","0.0607","","","0.1218","0.1664","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213767","23.0737","0.0014","11.5118","0.0007","16.6416","0.0009","90","","90","","90","","4420.3","0.4","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H39 Cu3 I2 N4 P2 -","- C40 H36 Cu3 I2 N3 P2 -","- C160 H144 Cu12 I8 N12 P8 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0966","0.051","","","0.122","0.1531","","","","","","1.099","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213768","9.825","0.002","12.261","0.003","11.798","0.002","90","","93.34","0.03","90","","1418.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cu2 I2 N3 -","- C11 H9 Cu2 I2 N3 -","- C44 H36 Cu8 I8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.084","0.0491","","","0.1025","0.1369","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213769","18.782","0.004","9.3645","0.0019","18.609","0.004","90","","97.15","0.03","90","","3247.6","1.2","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 Cu4 I4 N6 O -","- C22 H22 Cu4 I4 N6 O -","- C88 H88 Cu16 I16 N24 O4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0955","0.0544","","","0.1434","0.1933","","","","","","1.094","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213770","18.5585","0.001","4.28","0.0002","19.0844","0.0009","90","","108.395","0.005","90","","1438.43","0.13","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cu2 I2 N3 -","- C11 H11 Cu2 I2 N3 -","- C44 H44 Cu8 I8 N12 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0541","0.0376","","","0.0804","0.0896","","","","","","1.046","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213771","12.797","0.003","13.532","0.003","14.117","0.003","77.43","0.03","82.7","0.03","75.15","0.03","2299.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","1","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1192","0.102","","","0.229","0.2414","","","","","","1.196","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213772","12.208","0.002","22.96","0.005","12.372","0.003","90","","113.85","0.03","90","","3171.7","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H37 Cu Mo12 N8 O41 Si -","- C40 H32 Cu Mo12 N8 O41 Si -","- C80 H64 Cu2 Mo24 N16 O82 Si2 -","2","1","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0567","0.0525","","","0.1274","0.1321","","","","","","1.015","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213773","30.526","0.006","14.052","0.003","19.953","0.004","90","","118.88","0.03","90","","7494","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cd2 Mo12 N8 O50 P V2 -","- C46 H32 Cd2 Mo12 N8 O50 P V2 -","- C184 H128 Cd8 Mo48 N32 O200 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0813","0.0576","","","0.141","0.155","","","","","","1.056","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213774","24.293","0.005","10.896","0.002","29.975","0.006","90","","90","","90","","7934","3","296","2","296","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C52 H46 Cu4 Mo12 N10 O45 P V2 -","- C52 H40 Cu4 Mo12 N10 O45 P V2 -","- C208 H160 Cu16 Mo48 N40 O180 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1097","0.0672","","","0.1975","0.2277","","","","","","1.014","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213775","13.2145","0.0011","24.934","0.002","27.184","0.002","90","","90","","90","","8956.9","1.2","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C272 H192 Cu16 Mo48 N48 O168 Si4 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0716","0.0518","","","0.1347","0.1477","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213776","13.2295","0.0008","24.9102","0.0017","27.2377","0.0019","90","","90","","90","","8976.2","1","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C272 H192 Cu16 Ge4 Mo48 N48 O168 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0844","0.0602","","","0.1708","0.1923","","","","","","1.038","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213777","10.5623","0.0005","18.0907","0.0005","23.0081","0.001","90","","102.177","0.003","90","","4297.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Gd N8 Ni O13 -","- C41 H37 Gd N8 Ni O13 -","- C164 H148 Gd4 N32 Ni4 O52 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.0607","0.0461","","","0.101","0.1068","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213778","9.406","0.0014","13.526","0.003","18.568","0.003","74.727","0.013","81.42","0.012","80.592","0.013","2234.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Eu N7 O14 Zn -","- C39 H34 Eu N7 O14 Zn -","- C78 H68 Eu2 N14 O28 Zn2 -","2","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.1402","0.0878","","","0.2089","0.239","","","","","","0.984","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213779","9.0187","0.0018","9.5438","0.0019","10.835","0.002","87.16","0.017","89.548","0.017","61.353","0.015","817.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","1","0.5","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.066","0.0484","","","0.109","0.1165","","","","","","0.958","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213780","15.051","0.003","30.966","0.006","16.201","0.003","90","","93.23","0.03","90","","7539","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Dy N3 Ni2 O23 -","- C40 H30 Dy N3 Ni2 O23 -","- C160 H120 Dy4 N12 Ni8 O92 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.093","0.0578","","","0.1515","0.1652","","","","","","0.951","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213781","11.595","0.002","13.96","0.003","12.667","0.002","90","","102.092","0.003","90","","2004.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 Mn N8 O5 -","- C46 H38 Mn N8 O5 -","- C92 H76 Mn2 N16 O10 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1042","0.0717","","","0.174","0.207","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213782","10.551","0.003","12.28","0.003","14.417","0.004","82.256","0.005","88.642","0.005","79.904","0.004","1822.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O4 -","- C40 H30 Cd N4 O4 -","- C80 H60 Cd2 N8 O8 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0418","0.0367","","","0.0972","0.1057","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213783","11.4316","0.001","22.867","0.002","14.3083","0.0012","90","","91.096","0.002","90","","3739.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Cd3 N4 O12 -","- C90 H64 Cd3 N4 O12 -","- C180 H128 Cd6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1103","0.0562","","","0.1106","0.1435","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213784","11.3771","0.0014","22.53","0.003","14.3009","0.0017","90","","91.055","0.002","90","","3665.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Mn3 N4 O12 -","- C90 H64 Mn3 N4 O12 -","- C180 H128 Mn6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0767","0.0449","","","0.1237","0.1532","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213785","21.075","0.002","7.0239","0.0007","31.99","0.003","90","","104.356","0.002","90","","4587.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Mn2 N2 O11 -","- C50 H48 Mn2 N2 O11 -","- C200 H192 Mn8 N8 O44 -","4","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1255","0.0596","","","0.1447","0.202","","","","","","0.996","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213786","19.134","0.004","12.902","0.003","22.579","0.005","90","","91.1","0.03","90","","5573","2","153","2","426","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C200 H196 Cl8 Fe12 N8 O52 S20 -","2","0.5","","Jiang, Guomin; Wang, Miao; Gu, Xuefang; Chen, Tingting; Shang, Yanfang; Tang, Yanfeng; Jiang, Guoqing; Shi, Yujun","Synthesis, structure and characterization of Fe6 molecular clusters with peripheral sulfur atom-capped silver nanoparticles","CrystEngComm","2014","16","3","472","","10.1039/c3ce41444b","","","0.71073","MoKα","","0.1081","0.0856","","","0.2021","0.2197","","","","","","1.091","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213787","15.365","0.003","31.833","0.006","16.779","0.003","90","","90","","90","","8207","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H72 Mn4 N28 O32 -","- C58 H53 Mn4 N28 O28 -","- C232 H212 Mn16 N112 O112 -","4","0.5","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.1058","0.0878","","","0.2055","0.2171","","","","","","1.104","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213788","13.519","0.003","14.955","0.003","15.356","0.003","102.35","0.03","109.47","0.03","110.99","0.03","2529.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 Mn3 N10 O22 -","- C43 H50 Mn3 N10 O22 -","- C86 H100 Mn6 N20 O44 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.045","0.0402","","","0.1055","0.1098","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213789","13.527","0.003","14.982","0.003","15.036","0.003","62.09","0.03","67.21","0.03","74.82","0.03","2470.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Mn3 N10 O22 -","- C42 H48 Mn3 N10 O21 -","- C84 H96 Mn6 N20 O42 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.088","0.0772","","","0.2068","0.2168","","","","","","1.067","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213790","28.334","0.006","13.063","0.003","6.7989","0.0014","90","","90","","90","","2516.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Mn N5 O9 -","- C25 H27 Mn N5 O9 -","- C100 H108 Mn4 N20 O36 -","4","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.051","0.0435","","","0.0958","0.1107","","","","","","1.032","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213791","9.7736","0.0004","6.5159","0.0002","11.9527","0.0005","90","","105.729","0.002","90","","732.69","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0349","0.0339","","","0.0964","0.099","","","","","","0.825","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213792","24.03","0.003","24.03","0.003","15.0512","0.0019","90","","90","","90","","8691.2","1.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H72 N8 Ni4 O16 -","- C68 H72 N8 Ni4 O16 -","- C272 H288 N32 Ni16 O64 -","4","0.25","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0931","0.0488","","","0.1235","0.1385","","","","","","0.936","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213793","23.871","0.0019","15.5094","0.0013","19.9409","0.0019","90","","107.492","0.005","90","","7041.2","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H40 N8 Ni4 O20 -","- C56 H40 N8 Ni4 O20 -","- C224 H160 N32 Ni16 O80 -","4","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0493","0.0391","","","0.101","0.1063","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213794","26.43","0.0019","15.9077","0.0011","35.039","0.003","90","","109.497","0.001","90","","13887.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 N12 Ni4 O20 -","- C67 H66 N12 Ni4 O20 -","- C536 H528 N96 Ni32 O160 -","8","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.068","0.0574","","","0.1302","0.136","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213795","14.3328","0.0017","16.1942","0.0019","16.976","0.002","71.996","0.002","68.484","0.002","66.013","0.002","3289.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N4 Ni4 O16 -","- C56 H84 N4 Ni4 O16 -","- C112 H168 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.03","0.0242","","","0.0624","0.0643","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213796","14.8226","0.0012","15.9005","0.0013","17.7741","0.0014","85.655","0.002","66.279","0.001","72.521","0.002","3653.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 N4 Ni4 O16 -","- C72 H74 N4 Ni4 O16 -","- C144 H148 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.1314","0.1272","","","0.2762","0.2784","","","","","","1.055","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213797","27.7056","0.0006","23.395","0.0006","21.0709","0.0004","90","","113.911","0.002","90","","12485.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C139 H58 O96 Tm12 -","- C139 H58 O96 Tm12 -","- C278 H116 O192 Tm24 -","2","0.25","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0439","0.0326","","","0.0727","0.0757","","","","","","0.937","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213798","12.143","0.002","24.875","0.005","19.669","0.004","90","","102.9","0.03","90","","5791","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 Nd O10 -","- C16 H6 Nd O10 -","- C128 H48 Nd8 O80 -","8","1","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0598","0.0504","","","0.1486","0.1536","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213799","11.66","0.002","12.245","0.002","13.568","0.003","64.88","0.03","68.25","0.03","88.14","0.03","1611.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0407","0.0325","","","0.0838","0.0995","","","","","","1.076","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213800","11.609","0.002","12.227","0.002","13.554","0.003","65","0.03","69.14","0.03","87.75","0.03","1615.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0467","0.0393","","","0.1218","0.1247","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213801","11.647","0.002","12.247","0.002","13.604","0.003","65.01","0.03","67.88","0.03","88.32","0.03","1609.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 N0 O26 Sm3 -","- C48 H18 O26 Sm3 -","- C48 H18 O26 Sm3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0309","0.0274","","","0.0882","0.0899","","","","","","1.098","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213802","11.5976","0.0011","12.213","0.0011","13.5187","0.0012","65.039","0.006","68.351","0.006","87.858","0.006","1597.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 Dy3 N0 O26 -","- C48 H18 Dy3 O26 -","- C48 H18 Dy3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0428","0.0333","","","0.0802","0.083","","","","","","0.927","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213803","19.318","0.004","14.082","0.003","8.8793","0.0018","90","","100.31","0.03","90","","2376.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Er2 O16 -","- C19 H6 Er2 O16 -","- C76 H24 Er8 O64 -","4","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0206","0.0193","","","0.0471","0.0476","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213804","10.5171","0.0004","18.7049","0.0006","10.6498","0.0006","90","","102.156","0.004","90","","2048.07","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C96 H80 N8 O32 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0924","0.0494","","","0.0809","0.096","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213805","19.8521","0.0019","17.5183","0.001","10.0543","0.0006","90","","90.024","0.007","90","","3496.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Co N O9 -","- C12 H16 Co N O9 -","- C96 H128 Co8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0989","0.0776","","","0.1738","0.188","","","","","","1.056","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213806","19.9019","0.0015","17.4988","0.0009","10.0418","0.0004","90","","90.003","0.005","90","","3497.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N O9 -","- C12 H16 Mn N O9 -","- C96 H128 Mn8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0911","0.0711","","","0.1638","0.1718","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213807","20.073","0.009","17.96","0.008","10.293","0.006","90","","94.471","0.01","90","","3699","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cd N O8 -","- C12 H16 Cd N O8 -","- C96 H128 Cd8 N8 O64 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1119","0.0795","","","0.1821","0.1961","","","","","","1.062","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213808","27.733","0.015","10.217","0.006","14.405","0.008","90","","92.45","0.009","90","","4078","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 O11 Zn2 -","- C44 H32 N6 O11 Zn2 -","- C176 H128 N24 O44 Zn8 -","4","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0745","0.0527","","","0.1482","0.1624","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213809","10.235","0.005","9.554","0.005","24.242","0.009","90","","112.62","0.016","90","","2188.2","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H42 Cd2 N6 O13 -","- C44 H36 Cd2 N6 O13 -","- C88 H72 Cd4 N12 O26 -","2","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0483","0.0384","","","0.0971","0.1027","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213810","27.937","0.008","10.472","0.003","14.34","0.005","90","","90.467","0.007","90","","4195","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N3 O5 Zn -","- C24 H16 N3 O5 Zn -","- C192 H128 N24 O40 Zn8 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0987","0.0546","","","0.1234","0.1392","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213811","10.746","0.004","15.84","0.005","15.859","0.006","90","","130.94","0.04","90","","2039.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu N3 O5 -","- C24 H18 Cu N3 O5 -","- C96 H72 Cu4 N12 O20 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0512","0.0388","","","0.0907","0.0972","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213812","28.13","0.004","9.703","0.005","15.619","0.006","90","","100.37","0.03","90","","4193","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N3 Ni O6 -","- C22 H18 N3 Ni O6 -","- C176 H144 N24 Ni8 O48 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1319","0.0631","","","0.1327","0.1569","","","","","","1.033","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213813","10.523","0.004","16.289","0.007","11.71","0.004","90","","91.087","0.007","90","","2006.8","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N3 O5 Zn -","- C24 H18 N3 O5 Zn -","- C96 H72 N12 O20 Zn4 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0832","0.0525","","","0.1122","0.1274","","","","","","0.977","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213814","11.405","0.0008","11.156","0.0008","15.193","0.0011","90","","94.211","0.001","90","","1927.9","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H34 Cu N6 O8 -","- C44 H34 Cu N6 O8 -","- C88 H68 Cu2 N12 O16 -","2","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0625","0.0402","","","0.0731","0.0786","","","","","","1.005","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213815","14.424","0.005","16.241","0.006","16.635","0.01","104.014","0.009","105.078","0.009","109.873","0.006","3296","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H49 N5 O4 -","- C33 H49 N5 O4 -","- C132 H196 N20 O16 -","4","2","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.1274","0.0887","","","0.2717","0.3288","","","","","","1.258","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213816","7.1357","0.0005","20.7857","0.0012","7.6013","0.0004","90","","116.33","0.003","90","","1010.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O4 -","- C9 H9 N3 O4 -","- C36 H36 N12 O16 -","4","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.0806","0.0582","","","0.1594","0.1824","","","","","","0.923","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213817","13.466","0.005","9.033","0.003","18.952","0.007","90","","95.102","0.005","90","","2296.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N6 O3 S4 U -","- C14 H12 Cl2 N6 O3 S4 U -","- C56 H48 Cl8 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0354","0.0281","","","0.0541","0.0561","","","","","","1.008","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213818","6.4685","0.0013","15.007","0.003","25.732","0.005","90","","90","","90","","2497.9","0.9","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 Br2 N6 O4 S4 U -","- C14 H10 Br2 N6 O4 S4 U -","- C56 H40 Br8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0313","0.0243","","","0.0526","0.0549","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213819","6.6151","0.0018","14.993","0.004","25.896","0.007","90","","91.068","0.004","90","","2567.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0736","0.057","","","0.1276","0.1333","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213820","6.7452","0.0004","15.1032","0.0008","25.9377","0.0014","90","","90","","90","","2642.4","0.3","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.072","0.0358","","","0.0648","0.0752","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213821","13.407","0.003","8.8724","0.0017","24.9","0.005","90","","102.363","0.003","90","","2893.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N8 O7 S6 U -","- C16 H10 N8 O7 S6 U -","- C64 H40 N32 O28 S24 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0338","0.0317","","","0.0765","0.0775","","","","","","1.032","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213822","14.654","0.002","9.0207","0.0014","17.766","0.003","90","","92.078","0.002","90","","2346.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0264","0.0223","","","0.0449","0.046","","","","","","1.067","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213823","8.761","0.002","16.018","0.004","16.129","0.004","90","","95.282","0.004","90","","2253.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0591","0.0418","","","0.0909","0.0986","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213824","8.758","0.0007","16.0178","0.0014","16.1291","0.0014","90","","95.253","0.001","90","","2253.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N8 O3 S4 U -","- C14 H14 N8 O3 S4 U -","- C56 H56 N32 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0497","0.0345","","","0.0594","0.0631","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213825","13.3879","0.0015","8.6863","0.001","23.486","0.003","90","","98.305","0.001","90","","2702.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N8 O3 S4 U -","- C18 H22 N8 O3 S4 U -","- C72 H88 N32 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0156","0.0151","","","0.0345","0.0347","","","","","","1.215","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213826","8.4358","0.0018","10.074","0.002","15.079","0.003","71.071","0.005","87.931","0.006","67.631","0.006","1115.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O9 Zn1.5 -","- C22 H21 N3 O9 Zn1.5 -","- C44 H42 N6 O18 Zn3 -","2","1","","Niu, Yan-Fei; Zhao, Wen; Han, Jie; GeTian,; Zhao, Xiao-Li","Unprecedented metal-ion metathesis in a metal‒carboxylate chain-based metal‒organic framework","CrystEngComm","2014","16","12","2344","","10.1039/c3ce42214c","","","0.71073","MoKα","","0.0445","0.0411","","","0.1209","0.1268","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213827","6.4411","0.0004","6.8211","0.0004","10.012","0.0006","94.14","0.003","93.01","0.003","117.31","0.003","388.01","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O5 Sr -","- C7 H5 N O5 Sr -","- C14 H10 N2 O10 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0186","0.0181","","","0.0488","0.0491","","","","","","1.169","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213828","7.4636","0.0015","10.502","0.002","11.744","0.002","98.5","0.03","94.57","0.03","92.14","0.03","906.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu N2 O12 Sr -","- C14 H14 Cu N2 O12 Sr -","- C28 H28 Cu2 N4 O24 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.029","0.022","","","0.0568","0.0594","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213829","7.3083","0.0005","12.0765","0.0009","13.4566","0.0009","112.818","0.001","95.89","0.001","103.909","0.001","1036.85","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","1","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0376","0.0281","","","0.0619","0.0654","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213830","18.324","0.003","13.794","0.003","8.7635","0.0017","90","","107.405","0.003","90","","2113.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 Ni O15 Sr -","- C14 H20 N2 Ni O15 Sr -","- C56 H80 N8 Ni4 O60 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.04","0.0336","","","0.0936","0.0967","","","","","","1.048","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213831","7.323","0.004","22.223","0.011","16.991","0.009","90","","90","","90","","2765","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N2 Ni O19 Sr -","- C14 H27 N2 Ni O19 Sr -","- C56 H108 N8 Ni4 O76 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0412","0.0342","","","0.1276","0.1323","","","","","","1.16","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213832","8.5324","0.0013","22.302","0.003","16.57","0.002","90","","93.783","0.003","90","","3146.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 Ni O22 Sr2 -","- C21 H29 N3 Ni O22 Sr2 -","- C84 H116 N12 Ni4 O88 Sr8 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0534","0.0334","","","0.0681","0.0745","","","","","","1.011","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213833","7.917","0.004","10.835","0.005","20.769","0.01","90","","92.825","0.01","90","","1779.4","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O13 Sr Zn -","- C14 H14 N2 O13 Sr Zn -","- C56 H56 N8 O52 Sr4 Zn4 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0479","0.0378","","","0.1015","0.1107","","","","","","1.06","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213834","16.484","0.003","14.875","0.003","26.826","0.005","90","","90","","90","","6578","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N3 O24 Sr2 Zn -","- C21 H31 N3 O24 Sr2 Zn -","- C168 H248 N24 O192 Sr16 Zn8 -","8","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0354","0.0248","","","0.0551","0.0586","","","","","","1.027","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213835","9.86","0.002","13.113","0.003","11.65","0.002","90","","101.99","0.03","90","","1473.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.1051","0.1022","","","0.2763","0.2771","","","","","","1.078","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213836","10.39","0.002","12.295","0.003","12.497","0.003","79.31","0.03","68.2","0.03","69.58","0.03","1386.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cd2 N4 O10 S -","- C18 H22 Cd2 N4 O10 S -","- C36 H44 Cd4 N8 O20 S2 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.0832","0.0555","","","0.1563","0.1735","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213837","12.048","0.002","12.28","0.003","19.092","0.004","91.92","0.03","98.1","0.03","117.88","0.03","2455.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd3 N5.5 O11.5 -","- C33 H21 Cd3 N5.5 O11.5 -","- C66 H42 Cd6 N11 O23 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.045","0.0405","","","0.1332","0.1378","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213838","8.8851","0.0004","14.3096","0.0004","8.3842","0.0004","90","","93.12","0.005","90","","1064.41","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu N6 O10 -","- C22 H16 Cu N6 O10 -","- C44 H32 Cu2 N12 O20 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0545","0.0355","","","0.0689","0.0752","","","","","","1.006","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213839","8.4928","0.0005","9.6404","0.0006","12.5967","0.0008","68.102","0.006","71.434","0.006","64.579","0.006","848.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0582","0.0429","","","0.0894","0.099","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213840","9.4293","0.0004","10.2259","0.0005","17.1533","0.0011","91.634","0.005","99.933","0.004","93.062","0.004","1625.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co2 N8 O12 -","- C28 H21 Co2 N8 O12 -","- C56 H42 Co4 N16 O24 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0932","0.0545","","","0.099","0.1145","","","","","","1.042","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213841","9.3382","0.001","9.6636","0.0009","10.2665","0.0011","98.072","0.008","95.881","0.009","101.077","0.009","892.16","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N4 O8 -","- C14 H18 Co N4 O8 -","- C28 H36 Co2 N8 O16 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0388","0.034","","","0.0845","0.089","","","","","","1.046","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213842","11.0788","0.0004","12.6965","0.001","12.7879","0.0006","65.776","0.006","86.62","0.003","83.387","0.004","1629.34","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0473","","","0.1092","0.1202","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213843","8.912","0.0005","10.0898","0.0006","10.3129","0.0004","67.551","0.004","67.6","0.005","77.935","0.005","790.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N4 O6 -","- C14 H14 Cd N4 O6 -","- C28 H28 Cd2 N8 O12 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0321","0.0275","","","0.0622","0.0646","","","","","","1.038","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213844","8.8056","0.0007","17.5516","0.0011","13.9196","0.0011","90","","126.483","0.005","90","","1729.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cd N4 O6 -","- C15 H16 Cd N4 O6 -","- C60 H64 Cd4 N16 O24 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0442","","","0.0959","0.107","","","","","","1.07","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213845","7.8508","0.0005","17.7308","0.001","10.7154","0.0007","90","","93.285","0.006","90","","1489.14","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cd2 N6 O17 -","- C22 H28 Cd2 N6 O17 -","- C44 H56 Cd4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0347","0.0275","","","0.0574","0.0625","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213846","7.8034","0.0004","17.5927","0.0009","10.5797","0.0005","90","","93.25","0.005","90","","1450.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Mn2 N6 O17 -","- C22 H28 Mn2 N6 O17 -","- C44 H56 Mn4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0383","0.0333","","","0.0851","0.0886","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213847","9.7401","0.0003","15.6078","0.0003","16.5583","0.0004","90","","123.019","0.002","90","","2110.66","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mn N5 O7 -","- C17 H13 Mn N5 O7 -","- C68 H52 Mn4 N20 O28 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0511","0.0412","","","0.1074","0.1141","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213848","11.435","0.0007","5.204","0.0002","16.4787","0.001","90","","124.283","0.004","90","","810.24","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N O4 P Zn -","- C5 H7 N O4 P Zn -","- C20 H28 N4 O16 P4 Zn4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0539","0.0456","","","0.1128","0.1224","","","","","","1.081","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213849","16.696","","14.997","","7.4","","90","","104.42","","90","","1794.51","","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 N2 Ni O10 P -","- C10 H15 N2 Ni O10 P -","- C40 H60 N8 Ni4 O40 P4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0597","0.0553","","","0.1455","0.1487","","","","","","1.034","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213850","17.189","0.005","14.748","0.005","7.469","0.005","90","","100.047","0.005","90","","1864.4","1.5","195","2","195","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H30 Co2 N4 O21 P2 -","- C20 H30 Co2 N4 O21 P2 -","- C40 H60 Co4 N8 O42 P4 -","2","0.5","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71069","MoKα","","0.0598","0.0541","","","0.1285","0.1321","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213851","11.032","0.0005","11.032","0.0005","22.838","0.0013","90","","90","","120","","2407.1","0.2","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C30 H42 Co3 N6 O15 P2 -","- C30 H36 Co3 N6 O14.996 P2 -","- C60 H72 Co6 N12 O29.992 P4 -","2","0.0833333","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0808","0.0661","","","0.1503","0.1584","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213852","7.9316","0.0004","11.5548","0.0003","20.3743","0.001","87.909","0.003","80.351","0.004","75.405","0.003","1781.41","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 N6 O11 Zn2 -","- C34 H29 N6 O11 Zn2 -","- C68 H58 N12 O22 Zn4 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0656","0.0379","","","0.0772","0.0824","","","","","","0.883","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213853","10.088","0.0004","10.185","0.0004","15.041","0.0007","109.498","0.004","92.338","0.004","115.87","0.09","1278.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N6 O6 Zn -","- C22 H30 N6 O6 Zn -","- C44 H60 N12 O12 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0563","0.04","","","0.1082","0.1125","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213854","10.142","0.002","11.524","0.002","11.819","0.002","85.816","0.015","88.121","0.017","77.469","0.017","1344.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 Cd0 N6 O8 Zn -","- C23 H32 N6 O8 Zn -","- C46 H64 N12 O16 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1288","0.0731","","","0.1671","0.1969","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213855","30.249","0.003","9.1097","0.0003","18.2763","0.0013","90","","122.814","0.011","90","","4232.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N12 O8 Zn2 -","- C38 H30 N12 O8 Zn2 -","- C152 H120 N48 O32 Zn8 -","4","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1069","0.0722","","","0.1742","0.1908","","","","","","1.079","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213856","10.149","0.0007","10.423","0.0007","14.596","0.001","75.494","0.006","81.455","0.006","66.286","0.007","1366.58","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Cd N6 O7 -","- C22 H18 Cd N6 O7 -","- C44 H36 Cd2 N12 O14 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0511","0.0367","","","0.095","0.098","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213857","10.1865","0.001","13.716","0.002","15.936","0.002","111.617","0.013","93.704","0.009","95.474","0.01","2048.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H90 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","1","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1002","0.0393","","","0.0657","0.0735","","","","","","0.781","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213858","17.429","0.003","5.81","0.001","25.244","0.005","90","","130.351","0.012","90","","1948.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N6 Zn -","- C14 H24 Cl2 N6 Zn -","- C56 H96 Cl8 N24 Zn4 -","4","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1255","0.0317","","","0.0334","0.0373","","","","","","0.635","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213859","15.0205","0.0016","8.6335","0.001","10.1078","0.0011","90","","95.43","0.002","90","","1304.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Fe N2 O16 P4 -","- C20 H28 Fe N2 O16 P4 -","- C40 H56 Fe2 N4 O32 P8 -","2","0.5","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0483","0.0418","","","0.1267","0.1323","","","","","","1.004","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213860","15.2874","0.0018","8.1363","0.001","11.36","0.0014","90","","94.136","0.002","90","","1409.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O8 P2 Zn2 -","- C10 H11 N O8 P2 Zn2 -","- C40 H44 N4 O32 P8 Zn8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0586","0.0344","","","0.0923","0.116","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213861","15.5562","0.0015","9.6049","0.0009","10.2192","0.001","90","","99.109","0.002","90","","1507.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Fe2 N O9 P2 -","- C10 H13 Fe2 N O9 P2 -","- C40 H52 Fe8 N4 O36 P8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0584","0.0423","","","0.0972","0.1042","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213862","18.5137","0.0012","19.2404","0.0012","8.0478","0.0005","90","","90","","90","","2866.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N O8 P2 Zn -","- C10 H13 N O8 P2 Zn -","- C80 H104 N8 O64 P16 Zn8 -","8","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.061","0.0392","","","0.0635","0.0679","","","","","","1","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213863","15.209","0.003","14.377","0.003","12.81","0.003","90","","91.73","0.03","90","","2799.8","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H66 Co5 N4 O57 V11 -","- C6 H20 Co5 N4 O57 V11 -","- C12 H40 Co10 N8 O114 V22 -","2","0.25","","Liang, Yue; Zhang, Zhi-Ming; Liu, Zhu-Jun; Zhang, Ying; Zhang, Jun; Wang, En-Bo","A cobalt-containing pseudosandwich-type polyoxometalate based on a lacunary Lindqvist polyoxovanadate","CrystEngComm","2014","16","6","1187","","10.1039/c3ce41278d","","","0.71073","MoKα","","0.0791","0.0717","","","0.1686","0.1727","","","","","","0.967","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213864","26.75","0.009","14.879","0.004","18.279","0.006","90","","107.645","0.005","90","","6933","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 Cu N2 O6 -","- C34 H33 Cl2 Cu N2 O5.5 -","- C272 H264 Cl16 Cu8 N16 O44 -","8","1","","Guo, Fang; Shao, Hui-de; Yang, Qi; Famulari, Antonino; Martí-Rujas, Javier","Mechanochemical dehydrochlorination and chelation reaction in the solid state: from a molecular salt to a coordination complex","CrystEngComm","2014","16","6","969","","10.1039/c3ce41900b","","","0.71073","MoKα","","0.0732","0.0634","","","0.1451","0.1512","","","","","","1.15","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213865","15.971","0.004","16.246","0.003","16.318","0.004","90","","103.582","0.014","90","","4115.5","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cd Cl2 N2 O5 -","- C18 H14 Cd Cl2 N2 O5 -","- C144 H112 Cd8 Cl16 N16 O40 -","8","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0508","0.0429","","","0.1181","0.1272","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213866","9.1906","0.0007","11.3629","0.0006","13.6819","0.0011","113.6","0.006","105.419","0.007","91.254","0.006","1248.81","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N2 O9 -","- C26 H18 Cd N2 O9 -","- C52 H36 Cd2 N4 O18 -","2","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","1.54178","CuKα","","0.068","0.0604","","","0.1562","0.1629","","","","","","1.039","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213867","18.433","0.003","17.712","0.003","30.096","0.005","90","","90","","90","","9826","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H100 Cd3 Cl2 N8 O34 -","- C88 H64 Cd3 Cl2 N8 O34 -","- C352 H256 Cd12 Cl8 N32 O136 -","4","0.5","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0752","0.0648","","","0.2061","0.2198","","","","","","1.086","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213868","18.3083","0.0018","6.8191","0.0005","22.558","0.002","90","","101.519","0.001","90","","2759.6","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N10 -","- C32 H24 N10 -","- C128 H96 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0742","0.0444","","","0.0952","0.1061","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213869","19.6653","0.0018","11.3358","0.0011","14.1097","0.0012","90","","90","","90","","3145.4","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H24 Cl2 N10 Zn -","- C32 H24 Cl2 N10 Zn -","- C128 H96 Cl8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1508","0.0639","","","0.1382","0.1952","","","","","","1.051","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213870","10.2118","0.0009","18.3727","0.0017","18.2062","0.0016","90","","96.234","0.001","90","","3395.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N10 Zn -","- C32 H24 Br2 N10 Zn -","- C128 H96 Br8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1663","0.0865","","","0.2127","0.2488","","","","","","0.881","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213871","10.5859","0.0007","16.938","0.0014","19.398","0.002","90","","96.545","0.001","90","","3455.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 I2 N10 Zn -","- C32 H24 I2 N10 Zn -","- C128 H96 I8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.133","0.0818","","","0.2048","0.2499","","","","","","1.023","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213872","7.821","0.0005","44.97","0.003","11.0991","0.0009","90","","134.49","0.002","90","","2784.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cd Cl2 N20 -","- C64 H48 Cd Cl2 N20 -","- C128 H96 Cd2 Cl4 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1047","0.0782","","","0.1815","0.1932","","","","","","1.178","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213873","7.9001","0.0007","44.62","0.003","8.0308","0.0004","90","","91.642","0.002","90","","2829.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Br2 Cd N20 -","- C64 H48 Br2 Cd N20 -","- C128 H96 Br4 Cd2 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0983","0.0541","","","0.0995","0.1215","","","","","","1.059","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213874","10.8437","0.0011","16.6662","0.0016","19.6797","0.0018","90","","96.639","0.001","90","","3532.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd I2 N10 -","- C32 H24 Cd I2 N10 -","- C128 H96 Cd4 I8 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0815","0.0513","","","0.1309","0.1444","","","","","","1.091","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213875","36.645","0.003","8.739","0.0006","25.427","0.002","90","","104.304","0.001","90","","7890.3","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H70 Cl2 Co2 N25 O12 S2 -","- C75.006 H70.012 Cl2 Co2 N25 O12 S2 -","- C300.024 H280.048 Cl8 Co8 N100 O48 S8 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1042","0.062","","","0.1585","0.1753","","","","","","1.067","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213876","34.166","0.003","8.528","0.0009","24.721","0.002","90","","99.831","0.002","90","","7097.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Cl3 Cu2 N23 O12 -","- C64 H48 Cl3 Cu2 N23 O12 -","- C256 H192 Cl12 Cu8 N92 O48 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0726","0.0582","","","0.1777","0.1882","","","","","","1.072","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213877","25.574","0.002","8.7383","0.0008","18.346","0.002","90","","116.964","0.001","90","","3654.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C136 H176 Cl16 N16 O8 Ru8 -","8","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0806","0.0448","","","0.0929","0.1171","","","","","","1.205","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213878","8.723","0.009","9.227","0.009","12.62","0.01","74.26","0.01","69.8","0.01","89.74","0.01","913","1.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C34 H44 Cl4 N4 O2 Ru2 -","2","2","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.1761","0.1265","","","0.3327","0.3864","","","","","","1.5","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213879","7.766","0.001","9.144","0.001","15.613","0.002","83.304","0.003","82.977","0.003","69.036","0.003","1024.4","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 O2 Ru -","- C18 H26 Cl2 N2 O2 Ru -","- C36 H52 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0556","0.048","","","0.1241","0.1279","","","","","","1.01","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213880","7.6649","0.0009","9.0707","0.0011","19.817","0.002","87.882","0.002","89.682","0.002","70.084","0.002","1294.5","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Cl2 N2 O2 Ru -","- C25 H32 Cl2 N2 O2 Ru -","- C50 H64 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0349","0.0276","","","0.0665","0.0698","","","","","","0.91","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213881","9.516","0.005","9.814","0.005","14.001","0.005","74.216","0.005","82.094","0.005","67.846","0.005","1164.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl2 N2 O2 Ru -","- C23 H28 Cl2 N2 O2 Ru -","- C46 H56 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0295","0.0267","","","0.0671","0.0684","","","","","","1.068","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213882","9.3925","0.0012","10.0156","0.0016","12.669","0.0016","84.282","0.002","80.105","0.002","71.028","0.002","1109.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Co N4 O6 S2 -","- C23 H14 Co N4 O6 S2 -","- C46 H28 Co2 N8 O12 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0318","0.0284","","","0.0985","0.1007","","","","","","1.06","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213883","10.2077","0.0006","10.5027","0.0006","14.5086","0.0009","94.454","0.001","98.649","0.001","91.289","0.001","1532.19","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H18 Co F6 N4 O4 S2 -","- C31 H18 Co F6 N4 O4 S2 -","- C62 H36 Co2 F12 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0699","0.0531","","","0.1497","0.1569","","","","","","1.05","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213884","17.8224","0.0012","27.27","0.0019","18.3256","0.0012","90","","110.532","0.001","90","","8340.8","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H56 N16 O16 S8 Zn4 -","- C88 H56 N16 O16 S8 Zn4 -","- C352 H224 N64 O64 S32 Zn16 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0646","0.0468","","","0.1054","0.1068","","","","","","1","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213885","21.33","0.003","8.1009","0.0013","30.993","0.003","90","","122.46","0.007","90","","4518.7","1.1","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H21 F12 N2 O8 S Zn2 -","- C41 H21 F12 N2 O8 S Zn2 -","- C164 H84 F48 N8 O32 S4 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0704","0.0424","","","0.1014","0.1091","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213886","9.5686","0.0008","10.3542","0.0008","11.0911","0.0009","80.148","0.001","83.52","0.001","72.515","0.001","1030.42","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cd N4 O4 S2 -","- C22 H14 Cd N4 O4 S2 -","- C44 H28 Cd2 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0301","0.0276","","","0.0704","0.0716","","","","","","1.013","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213887","9.4003","0.0006","9.8766","0.0007","12.0339","0.0008","82.475","0.001","80.707","0.001","72.367","0.001","1046.79","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N4 O5 S2 Zn -","- C22 H14 N4 O5 S2 Zn -","- C44 H28 N8 O10 S4 Zn2 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0286","0.0256","","","0.0817","0.0836","","","","","","1.028","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213888","10.4879","0.001","20.6148","0.0019","15.51","0.0011","90","","121.819","0.005","90","","2849.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 S2 Zn -","- C24 H24 N4 O4 S2 Zn -","- C96 H96 N16 O16 S8 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0672","0.0512","","","0.1348","0.1367","","","","","","1.092","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213889","11.4985","0.0003","21.276","0.0006","21.4387","0.0006","77.071","0.002","80.672","0.002","88.411","0.002","5044","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H53 Co2 N7 O19 -","- C61 H53 Co2 N7 O19 -","- C122 H106 Co4 N14 O38 -","2","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.7107","MoKα","","0.0756","0.0565","","","0.1683","0.1788","","","","","","0.922","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213890","11.744","0.002","19.878","0.004","36.094","0.007","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C208 H128 Cu8 N16 O72 -","8","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.1248","0.0793","","","0.2195","0.2488","","","","","","1.044","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213891","11.7133","0.0003","18.7995","0.0005","24.1755","0.0006","90","","90","","90","","5323.5","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H16 N3 O8 Zn -","- C20 H16 N3 O8 Zn -","- C160 H128 N24 O64 Zn8 -","8","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.0812","0.0629","","","0.1713","0.1834","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213892","15.1796","0.0007","15.6453","0.0005","16.984","0.0015","90","","119.218","0.005","90","","3520.3","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C55 H41 Cd2 N5 O20 -","- C55 H41 Cd2 N5 O20 -","- C110 H82 Cd4 N10 O40 -","2","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MOKα","","0.1062","0.0867","","","0.2439","0.2622","","","","","","1.069","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213893","5.5791","0.0016","7.683","0.003","16.223","0.004","89.07","0.02","83.89","0.02","84.51","0.03","688.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C34 H24 Br2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1319","0.0754","","","0.1368","0.1571","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213894","5.5931","0.0012","7.6167","0.0019","15.88","0.004","88.41","0.02","83.971","0.018","84.915","0.019","670","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1012","0.0954","","","0.1231","0.1542","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213895","5.6099","0.0014","7.6163","0.0019","14.943","0.003","88.73","0.019","84.005","0.019","85.28","0.02","632.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.107","0.0631","","","0.1718","0.2027","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213896","32.1685","0.0016","10.7211","0.0004","8.2676","0.0005","90","","95.678","0.004","90","","2837.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O -","- C17 H12 I N O -","- C136 H96 I8 N8 O8 -","8","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0793","0.0536","","","0.1177","0.1292","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213897","6.364","0.003","17.187","0.009","12.649","0.007","90","","102.71","0.04","90","","1349.6","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0951","0.0843","","","0.1432","0.1639","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213898","14.176","0.003","6.0252","0.0011","15.551","0.004","90","","98.311","0.019","90","","1314.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.102","0.0826","","","0.1223","0.1423","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213899","4.9506","0.0003","14.5932","0.0014","17.6779","0.0013","90","","90","","90","","1277.14","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1199","0.0731","","","0.1387","0.1559","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213900","6.548","0.002","17.029","0.005","12.714","0.005","90","","102.06","0.03","90","","1386.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 I N2 O -","- C16 H11 I N2 O -","- C64 H44 I4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0516","0.0411","","","0.1154","0.1216","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213901","18.3217","0.0018","11.4532","0.0013","21.918","0.002","90","","110.307","0.005","90","","4313.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H65 Cu2 N O12 -","- C33 H65 Cu2 N O12 -","- C132 H260 Cu8 N4 O48 -","4","1","","Nesterova, Oksana V.; Kirillova, Marina V.; Guedes da Silva, M. Fátima C.; Boča, Roman; Pombeiro, Armando J. L.","How to force a classical chelating ligand to a metal non-chelating bridge: the observation of a rare coordination mode of diethanolamine in the 1D complex {[Cu2(Piv)4(H3tBuDea)](Piv)}n","CrystEngComm","2014","16","5","775","","10.1039/c3ce41657g","","","0.71069","MoKα","","0.0779","0.0489","","","0.1194","0.1347","","","","","","1.01","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213902","28.41","0.008","8.844","0.003","7.497","0.002","90","","90","","90","","1883.7","1","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H19 Mn N O7 -","- C19 H12 Mn N O7 -","- C76 H48 Mn4 N4 O28 -","4","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0469","0.0417","","","0.1091","0.1231","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213903","7.631","0.002","9.033","0.003","14.87","0.004","106.822","0.003","96.077","0.003","91.721","0.003","973.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N Ni O9 -","- C19 H23 N Ni O9 -","- C38 H46 N2 Ni2 O18 -","2","1","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0427","0.0328","","","0.0766","0.0809","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213904","27.086","0.003","27.086","0.003","6.7052","0.0009","90","","90","","90","","4919.3","1","296","2","296","2","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","","","- C16 H12 Cu O7 -","- C16 H12 Cu O7 -","- C128 H96 Cu8 O56 -","8","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0577","0.0544","","","0.182","0.1844","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213905","21.769","0.002","21.769","0.002","44.426","0.009","90","","90","","90","","21053","5","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C168 H148 Cd7 N4 Na2 O60 -","- C168 H145 Cd7 N4 Na2 O60 -","- C672 H580 Cd28 N16 Na8 O240 -","4","0.25","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0635","0.0565","","","0.1642","0.1703","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213906","16.842","0.0002","16.842","0.0002","7.249","0.0002","90","","90","","90","","2056.2","0.07","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C2 H15 N6 O5 P -","- C2 H15 N6 O5 P -","- C16 H120 N48 O40 P8 -","8","1","","Liu, Xitao; Wang, Xinqiang; Yin, Xin; Liu, Shande; He, Wen; Zhu, Luyi; Zhang, Guanghui; Xu, Dong","Bulk growth and physical properties of diguanidinium phosphate monohydrate (G2HP) as a multi-functional crystal","CrystEngComm","2014","16","5","930","","10.1039/c3ce41896k","","","0.71073","MoKα","","0.0423","0.0313","","","0.069","0.0752","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213907","18.867","0.004","17.119","0.003","28.504","0.005","90","","112.252","0.011","90","","8521","3","113","2","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H56.5 Cl6 Co8 N31.5 O9 -","- C60 H36 Cl6 Co8 N24 O6 -","- C240 H144 Cl24 Co32 N96 O24 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.1021","0.0831","","","0.1972","0.2079","","","","","","1.039","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213908","30.195","0.005","20.367","0.004","33.896","0.004","90","","123.24","0.01","90","","17435","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H134 Cl8 Co16 N48 O27 -","- C126 H87 Cl8 Co16 N48 O17 -","- C504 H348 Cl32 Co64 N192 O68 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0854","0.0689","","","0.189","0.2038","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213909","34.484","0.01","20.624","0.006","23.922","0.007","90","","90","","90","","17013","9","113","","113","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C140 H171 Cl8 Co16 N48 O41.5 -","- C124 H81 Cl8 Co16 N48 O16 -","- C496 H324 Cl32 Co64 N192 O64 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0905","0.0758","","","0.184","0.1961","","","","","","1.012","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213910","18.0747","0.0017","11.8777","0.0011","12.5442","0.0012","90","","90","","90","","2693.1","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H24 Cu3 N4 O12 -","- C26 H24 Cu3 N4 O12 -","- C104 H96 Cu12 N16 O48 -","4","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.034","0.0249","","","0.0625","0.0664","","","","","","1.029","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213911","9.703","0.002","9.703","0.002","13.09","0.003","80.909","0.002","77.613","0.002","62.896","0.002","1068.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","1","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0538","0.038","","","0.094","0.1039","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213912","10.809","0.01","10.847","0.01","12.549","0.011","93.404","0.011","90.14","0.011","118.89","0.01","1285","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu N4 O7 -","- C27 H28 Cu N4 O7 -","- C54 H56 Cu2 N8 O14 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0973","0.0533","","","0.1016","0.1205","","","","","","1.01","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213913","9.846","0.007","14.108","0.01","19.466","0.014","97.416","0.008","104.173","0.008","104.323","0.009","2488","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Mn3 N4 O26 -","- C44 H46 Mn3 N4 O26 -","- C88 H92 Mn6 N8 O52 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0854","0.044","","","0.0913","0.1098","","","","","","1.011","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213914","9.6214","0.001","10.068","0.0011","12.9326","0.0014","80.07","0.001","81.24","0.001","62.315","0.001","1089","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N4 O5 -","- C23 H20 Mn N4 O5 -","- C46 H40 Mn2 N8 O10 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0442","0.0353","","","0.0999","0.1071","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213915","16.564","0.004","18.302","0.004","15.879","0.003","90","","90","","90","","4813.8","1.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H24 Mn N4 O5 -","- C27 H24 Mn N4 O5 -","- C216 H192 Mn8 N32 O40 -","8","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.1346","0.0543","","","0.1072","0.1421","","","","","","0.993","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213916","8.1401","0.0014","18.984","0.003","35.484","0.006","97.85","0.004","94.141","0.004","97.048","0.004","5368.9","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","1","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1636","0.0872","","","0.2149","0.2432","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213917","31.537","0.005","20.222","0.005","18.93","0.004","90","","120.102","0.004","90","","10444","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H244 N64 Ni6 O28 -","- C180 H244 N64 Ni6 O28 -","- C360 H488 N128 Ni12 O56 -","2","0.25","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1797","0.0755","","","0.1627","0.1834","","","","","","1.045","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213918","8.589","0.004","17.784","0.009","38.729","0.019","90","","102.629","0.011","90","","5773","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H114 N24 Ni3 O18 -","- C96 H114 N24 Ni3 O18 -","- C192 H228 N48 Ni6 O36 -","2","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.151","0.0693","","","0.131","0.1492","","","","","","1.013","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213919","14.6204","0.001","7.6631","0.0004","16.002","0.002","90","","97.234","0.009","90","","1778.6","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0405","0.0332","","","0.0973","0.1008","","","","","","1.11","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213920","10.9507","0.0004","6.4615","0.0002","11.2614","0.0003","90","","102.988","0.002","90","","776.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_hydrogenosulfate","","","- C5 H8 N2 O4 S -","- C5 H8 N2 O4 S -","- C20 H32 N8 O16 S4 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.033","","","0.0944","0.1","","","","","","1.065","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213921","9.1718","0.0006","6.9081","0.0004","10.8243","0.0007","90","","93.617","0.007","90","","684.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0579","0.0518","","","0.1411","0.1433","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213922","7.2785","0.0004","7.9141","0.0004","8.9022","0.0006","77.651","0.006","71.756","0.005","67.405","0.005","447.06","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N2 O5 P -","- C5 H11 N2 O5 P -","- C10 H22 N4 O10 P2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0308","0.027","","","0.0726","0.0791","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213923","6.4515","0.0002","8.4229","0.0002","12.4728","0.0008","96.429","0.007","97.523","0.007","95.349","0.007","663.7","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O5 S -","- C10 H16 N4 O5 S -","- C20 H32 N8 O10 S2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0375","0.0326","","","0.1001","0.1134","","","","","","1.192","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213924","7.0735","0.0005","11.0546","0.0008","9.4018","0.0006","90","","92.308","0.007","90","","734.57","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C20 H32 N16 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.0338","","","0.0853","0.0884","","","","","","1.098","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213925","17.0057","0.0011","12.7153","0.0004","9.1321","0.0003","90","","90","","90","","1974.66","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N5 O7 -","- C5 H11 N5 O7 -","- C40 H88 N40 O56 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0301","0.0283","","","0.0747","0.0757","","","","","","1.081","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213926","15.2902","0.001","15.2902","0.001","13.2563","0.0007","90","","90","","90","","3099.2","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bis(3,4-diaminopyridinium)_sulfate_dihydrate","","","- C10 H20 N6 O6 S -","- C10 H20 N6 O6 S -","- C80 H160 N48 O48 S8 -","8","0.5","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.1177","0.0622","","","0.154","0.1768","","","","","","1.024","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213927","6.9429","0.0003","10.2338","0.0005","14.5568","0.0008","103.319","0.002","100.97","0.003","92.592","0.003","983.78","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3,4-diaminopyridinium_sulfate_dihydrate","","","- C5 H13 N3 O6 S -","- C5 H13 N3 O6 S -","- C20 H52 N12 O24 S4 -","4","2","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0981","0.0545","","","0.1187","0.1381","","","","","","1.054","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213928","9.8733","0.0003","13.7275","0.0005","16.1107","0.0005","102.603","0.001","105.275","0.001","106.803","0.002","1911.32","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co2 N8 O10 -","- C36 H40 Co2 N8 O10 -","- C72 H80 Co4 N16 O20 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0846","0.0446","","","0.0922","0.1049","","","","","","1.015","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213929","14.9099","0.0005","21.0323","0.0007","8.5659","0.0003","90","","94.401","0.002","90","","2678.26","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co N4 O9 -","- C19 H30 Co N4 O9 -","- C76 H120 Co4 N16 O36 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.1181","0.0715","","","0.2112","0.2437","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213930","7.941","0.0003","10.7157","0.0004","12.0719","0.0004","93.337","0.002","93.883","0.002","111.134","0.002","952.17","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C34 H36 N8 O10 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0663","0.049","","","0.1364","0.1483","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213931","5.2008","0.0003","9.1754","0.0004","16.7077","0.0008","96.307","0.003","97.88","0.003","101.052","0.003","767.47","0.07","298","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N2 O7 Zn -","- C12 H19 N2 O7 Zn -","- C24 H38 N4 O14 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0674","0.0453","","","0.1026","0.1101","","","","","","1.034","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213932","8.6482","0.0002","10.2848","0.0002","12.7911","0.0003","93.53","0.001","108.249","0.001","111.453","0.001","985.46","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C36 H40 Cd2 N8 O10 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0338","0.0292","","","0.0697","0.0721","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213933","15.8904","0.0003","15.8904","0.0003","29.0281","0.001","90","","90","","90","","7329.7","0.3","298","","298","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H34 Cd2 N10 O10 -","- C33 H34 Cd2 N10 O10 -","- C264 H272 Cd16 N80 O80 -","8","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0292","0.0238","","","0.0505","0.0531","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213934","8.87","0.0018","22.049","0.004","15.806","0.003","90","","98.02","0.03","90","","3061","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Dy F18 N4 O6 -","- C21 H11 Dy F18 N4 O6 -","- C84 H44 Dy4 F72 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0872","0.0598","","","0.1149","0.1247","","","","","","1.099","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213935","8.94","0.0018","22.222","0.004","15.95","0.003","90","","97.63","0.03","90","","3140.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 N4 O6 Tb -","- C21 H11 F18 N4 O6 Tb -","- C84 H44 F72 N16 O24 Tb4 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0695","0.0551","","","0.1338","0.1428","","","","","","1.102","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213936","8.935","0.0018","22.252","0.004","16.011","0.003","90","","97.77","0.03","90","","3154.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 Ho N4 O6 -","- C21 H11 F18 Ho N4 O6 -","- C84 H44 F72 Ho4 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0826","0.0602","","","0.1381","0.1498","","","","","","1.103","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213937","28.369","0.004","28.369","0.004","14.436","0.003","90","","90","","90","","11618","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C80 H66 As8 Cu4 N16 O43 V14 -","- C80 H64 As8 Cu4 N16 O43 V14 -","- C320 H256 As32 Cu16 N64 O172 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.1513","0.0654","","","0.1817","0.2244","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213938","26.4776","0.0012","16.8267","0.0011","27.5248","0.0011","90","","90","","90","","12263.1","1.1","296","2","296","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C96 H66 As8 Cu4 N16 O43 V14 -","- C96 H64 As8 Cu4 N16 O43 V14 -","- C384 H256 As32 Cu16 N64 O172 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0894","0.0558","","","0.1337","0.1519","","","","","","0.998","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213939","15.118","0.002","15.118","0.002","38.962","0.008","90","","90","","90","","8905","2","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C36 H50 As8 N24 Ni2 O49 V14 -","- C36 H36 As8 N24 Ni2 O49 V14 -","- C144 H144 As32 N96 Ni8 O196 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0516","0.0379","","","0.1029","0.1084","","","","","","1.036","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213940","14.9603","0.0011","17.1932","0.0013","27.477","0.002","90","","90","","90","","7067.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H62 N8 O22 Zn5 -","- C74 H52 N8 O22 Zn5 -","- C296 H208 N32 O88 Zn20 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0847","0.0406","","","0.0863","0.1031","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213941","28.3903","0.0012","13.8667","0.0006","14.3593","0.0006","90","","107.254","0.001","90","","5398.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O6 Zn -","- C29 H22 N4 O6 Zn -","- C232 H176 N32 O48 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0412","0.034","","","0.0906","0.0946","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213942","9.9705","0.0006","10.7624","0.0007","15.0951","0.0014","104.684","0.001","95.097","0.001","111.948","0.001","1422.59","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cd N4 O7 -","- C29 H22 Cd N4 O7 -","- C58 H44 Cd2 N8 O14 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0524","0.0398","","","0.1002","0.1135","","","","","","1.07","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213943","11.774","0.005","11.812","0.005","14.993","0.005","97.373","0.005","93.976","0.005","114.192","0.005","1869.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Cd2 N4 O10 -","- C37 H28 Cd2 N4 O10 -","- C74 H56 Cd4 N8 O20 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.038","","","0.1011","0.1128","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213944","13.977","0.005","17.017","0.005","24.062","0.005","90","0.005","93.727","0.005","90","0.005","5711","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Cd N4 O5 -","- C29 H28 Cd N4 O5 -","- C232 H224 Cd8 N32 O40 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0594","0.036","","","0.0884","0.0971","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213945","13.0926","0.0005","20.9762","0.0008","20.0992","0.0008","90","","94.123","0.001","90","","5505.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 Zn2 -","- C60 H42 N8 O13 Zn2 -","- C240 H168 N32 O52 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0839","0.051","","","0.1263","0.1448","","","","","","1.021","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213946","13.698","0.005","16.879","0.005","18.153","0.005","110.202","0.005","91.837","0.005","109.065","0.005","3673","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H66 Cd3 N12 O15 -","- C81 H60 Cd3 N12 O15 -","- C162 H120 Cd6 N24 O30 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.0408","","","0.0942","0.1032","","","","","","1.025","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213947","20.201","0.014","9.992","0.007","21.796","0.015","90","","91.234","0.012","90","","4398","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Co2 N6 O9 -","- C54 H42 Co2 N6 O9 -","- C216 H168 Co8 N24 O36 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0757","0.0472","","","0.1163","0.1359","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213948","20.3079","0.0015","10.1909","0.0008","21.8461","0.0016","90","","91.201","0.002","90","","4520.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cu N3 O4 -","- C27 H20 Cu N3 O4 -","- C216 H160 Cu8 N24 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0837","0.0532","","","0.1298","0.1494","","","","","","1","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213949","20.249","0.01","10.011","0.005","22.164","0.012","90","","91.228","0.012","90","","4492","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 Ni O4 -","- C27 H20 N3 Ni O4 -","- C216 H160 N24 Ni8 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1267","0.0572","","","0.1034","0.1259","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213950","27.381","0.006","11.289","0.002","18.02","0.004","90","","117.075","0.004","90","","4959.6","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H94 Co4 N12 O27 -","- C112 H94 Co4 N12 O27 -","- C224 H188 Co8 N24 O54 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0893","0.0585","","","0.1293","0.1518","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213951","26.386","0.002","11.3957","0.001","17.5666","0.0019","90","","115.712","0.001","90","","4759.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu N3 O5 -","- C28 H20 Cu N3 O5 -","- C224 H160 Cu8 N24 O40 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1123","0.0634","","","0.1649","0.1987","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213952","32.498","0.008","12.812","0.003","18.172","0.005","90","","94.661","0.005","90","","7541","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 N5 Ni O7 -","- C39 H35 N5 Ni O7 -","- C312 H280 N40 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.135","0.085","","","0.2414","0.2864","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213953","11.6916","0.0006","11.7881","0.0006","12.651","0.0006","82.071","0.001","83.113","0.001","82.638","0.001","1703.38","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 Co N5 O4 -","- C39 H29 Co N5 O4 -","- C78 H58 Co2 N10 O8 -","2","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0609","0.0487","","","0.1409","0.1518","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213954","20.768","0.005","10.017","0.003","16.158","0.004","90","","121.098","0.004","90","","2878.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Mn N O6 -","- C14 H12 Mn N O6 -","- C112 H96 Mn8 N8 O48 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0598","0.0538","","","0.185","0.1914","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213955","17.241","0.006","15.95","0.006","16.74","0.006","90","","108.386","0.007","90","","4368","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N3 Ni O7 -","- C22 H20 N3 Ni O7 -","- C176 H160 N24 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1541","0.0673","","","0.1448","0.1829","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213956","16.821","0.0012","19.1858","0.0014","20.6555","0.0015","90","","90","","90","","6666","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cu N5 O8 -","- C33 H33 Cu N5 O8 -","- C264 H264 Cu8 N40 O64 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1506","0.0658","","","0.1512","0.1747","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213957","27.504","0.003","14.3017","0.0015","13.3049","0.0016","90","","102.667","0.002","90","","5106.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cd4 N12 O24 -","- C42 H28 Cd4 N12 O24 -","- C168 H112 Cd16 N48 O96 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0611","0.0547","","","0.1557","0.1647","","","","","","1.113","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213958","8.8692","0.0007","13.3176","0.0014","15.8973","0.0015","103.897","0.004","96.463","0.002","98.338","0.004","1782.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N9 O13 Zn2 -","- C30 H35 N9 O13 Zn2 -","- C60 H70 N18 O26 Zn4 -","2","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0608","0.0467","","","0.1244","0.1317","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213959","16.915","0.005","9.686","0.003","17.4","0.005","90","","106.905","0.004","90","","2727.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N7 O12 Zn2.5 -","- C24 H14 N7 O12 Zn2.5 -","- C96 H56 N28 O48 Zn10 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0876","0.0797","","","0.2083","0.2169","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213960","29.542","0.008","7.3171","0.0018","35.757","0.01","90","","98.761","0.005","90","","7639","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N8 O16 Zn2 -","- C31 H32 N8 O16 Zn2 -","- C248 H256 N64 O128 Zn16 -","8","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0535","0.0479","","","0.1352","0.1411","","","","","","1.052","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213961","16.804","0.002","16.228","0.002","26.461","0.004","90","","103.17","0.002","90","","7026","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd4 N16 O28 -","- C54.002 H56 Cd4 N16 O28 -","- C216.008 H224 Cd16 N64 O112 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0665","0.0523","","","0.1373","0.1523","","","","","","1.08","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213962","9.7346","0.0019","9.761","0.002","12.173","0.002","103.67","0.03","102.74","0.03","107.87","0.03","1014.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Ag N2 O4 -","- C24 H19 Ag N2 O4 -","- C48 H38 Ag2 N4 O8 -","2","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0413","0.0337","","","0.0688","0.0711","","","","","","1.114","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213963","11.812","0.002","9.6182","0.0019","19.06","0.004","90","","103.55","0.03","90","","2105.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Ag N2 O4 -","- C25 H21 Ag N2 O4 -","- C100 H84 Ag4 N8 O16 -","4","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0406","0.0327","","","0.0833","0.089","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213964","15.72","0.003","16.12","0.003","13.476","0.003","90","","116.42","0.03","90","","3058.2","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd N O4 -","- C18 H12 Cd N O4 -","- C144 H96 Cd8 N8 O32 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0622","0.0628","","","","","","1.192","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213965","16.616","0.003","15.383","0.003","14.774","0.003","90","","120.63","0.03","90","","3249.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd2 N2 O8 -","- C37 H26 Cd2 N2 O8 -","- C148 H104 Cd8 N8 O32 -","4","0.5","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0344","0.0277","","","0.056","0.058","","","","","","1.135","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213966","18.884","0.004","16.206","0.003","10.375","0.002","90","","90","","90","","3175.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H12 N O4 Zn -","- C18 H12 N O4 Zn -","- C144 H96 N8 O32 Zn8 -","8","","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0754","0.0716","","","0.1798","0.184","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213967","16.466","0.003","15.188","0.003","25.146","0.005","90","","90","","90","","6289","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Co2 N2 O9 -","- C37 H28 Co2 N2 O9 -","- C296 H224 Co16 N16 O72 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0363","0.0308","","","0.0762","0.0799","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213968","14.07","0.003","22.001","0.004","20.966","0.004","90","","101.07","0.03","90","","6369","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cd3 N8 O20 S3 -","- C48 H56 Cd3 N8 O20 S3 -","- C192 H224 Cd12 N32 O80 S12 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0558","0.0486","","","0.1161","0.1202","","","","","","1.108","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213969","15.6677","0.0005","15.6677","0.0005","15.6677","0.0005","90","","90","","90","","3846.1","0.2","153","2","153","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C18 H15 Cd N4 O6 -","- C18 H15 Cd N4 O6 -","- C144 H120 Cd8 N32 O48 -","8","0.166667","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0702","0.0586","","","0.1264","0.1321","","","","","","1.094","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213970","17.9901","0.0015","13.5567","0.0012","15.6762","0.0016","90","","91.684","0.009","90","","3821.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Cd2 N4 O19 S2 -","- C26 H46 Cd2 N4 O19 S2 -","- C104 H184 Cd8 N16 O76 S8 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.1405","0.0993","","","0.2354","0.261","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213971","25.3104","0.0009","13.9294","0.0005","19.6913","0.0007","90","","128.818","0.001","90","","5409.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O8 -","- C24 H24 Cd N6 O8 -","- C192 H192 Cd8 N48 O64 -","8","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0406","0.032","","","0.0714","0.075","","","","","","1.059","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213972","11.4349","0.0006","15.545","0.0006","12.8179","0.0006","90","","113.755","0.006","90","","2085.41","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0797","0.0571","","","0.1517","0.1693","","","","","","1.054","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213973","11.262","0.006","14.9356","0.0012","12.497","0.004","90","","113.73","0.06","90","","1924.3","1.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1415","0.0989","","","0.2333","0.2625","","","","","","1.555","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213974","11.096","0.002","14.494","0.003","12.262","0.003","90","","113.85","0.03","90","","1803.6","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1037","0.0775","","","0.1535","0.1713","","","","","","1.536","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213975","11.053","0.002","14.338","0.003","12.136","0.002","90","","113.76","0.03","90","","1760.3","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1241","0.077","","","0.1592","0.1864","","","","","","1.49","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213976","10.991","0.006","14.1391","0.0008","12.033","0.004","90","","113.83","0.05","90","","1710.5","1.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0974","0.0758","","","0.1681","","","","","","","1.422","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213977","10.954","0.002","14.032","0.003","11.962","0.002","90","","113.77","0.03","90","","1682.7","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0753","0.0674","","","0.163","0.1687","","","","","","1.488","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213978","10.93","0.002","13.961","0.003","11.922","0.002","90","","113.76","0.03","90","","1665","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0797","0.0687","","","0.1658","0.173","","","","","","1.434","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213979","10.135","0.009","15.0384","0.0016","10.9","0.007","90","","107.52","0.09","90","","1584.2","1.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0794","0.0561","","","0.1083","0.1193","","","","","","1.411","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213980","10.118","0.018","15.012","0.003","10.877","0.011","90","","107.53","0.16","90","","1575","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0724","0.0545","","","0.1129","0.1223","","","","","","1.456","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213981","10.117","0.018","15.004","0.003","10.869","0.011","90","","107.52","0.16","90","","1573","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0548","","","0.1277","0.1354","","","","","","1.53","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213982","10.052","0.002","14.932","0.003","10.789","0.002","90","","107.39","0.03","90","","1545.4","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0504","","","0.1042","0.117","","","","","","1.261","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213983","9.985","0.002","14.855","0.003","10.722","0.002","90","","107.35","0.03","90","","1518","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1027","0.078","","","0.1827","0.208","","","","","","1.131","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213984","9.894","0.002","14.736","0.003","10.588","0.002","90","","107.21","0.03","90","","1474.6","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0557","0.0436","","","0.0962","0.1031","","","","","","1.29","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213985","20.5687","0.001","8.8331","0.0002","11.4381","0.0005","90","","122.177","0.006","90","","1758.95","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0577","0.041","","","0.1143","0.1293","","","","","","0.963","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213986","19.69","0.06","8.8311","0.0018","11.46","0.003","90","","116.72","0.05","90","","1780","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1296","0.0895","","","0.216","0.2454","","","","","","1.096","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213987","19.672","0.029","8.6717","0.0008","11.0787","0.0009","90","","120.594","0.013","90","","1627","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0963","0.0766","","","0.1825","0.1996","","","","","","1.104","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213988","19.3247","0.0061","8.6243","0.0006","10.9544","0.0007","90","","120.113","0.014","90","","1579.3","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0883","0.0728","","","0.1772","0.1906","","","","","","1.043","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213989","18.4265","0.0046","8.4721","0.0006","10.633","0.0007","90","","118.512","0.015","90","","1458.6","0.4","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0832","0.0713","","","0.1441","0.1505","","","","","","1.053","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213990","18.0508","0.0011","8.3848","0.0008","10.551","0.023","90","","118.132","0.023","90","","1408","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1193","0.0982","","","0.2321","0.2507","","","","","","1.089","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213991","17.874","0.008","8.336","0.0007","10.524","0.013","90","","117.9","0.2","90","","1386","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1031","0.0934","","","0.1927","0.1994","","","","","","1.081","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213992","10.506","0.002","16.364","0.003","15.514","0.003","90","","98.95","0.03","90","","2634.7","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0922","0.0712","","","0.1779","0.2025","","","","","","1.055","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213993","10.4886","0.001","16.3135","0.0016","15.5602","0.0096","90","","99.0816","0.0016","90","","2629.1","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.085","0.0689","","","0.1714","0.1851","","","","","","1.051","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213994","10.4663","0.0008","16.259","0.0012","15.427","0.0072","90","","99.409","0.012","90","","2589.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0615","","","0.165","0.1752","","","","","","1.068","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213995","10.4211","0.0007","16.1206","0.0012","15.169","0.0068","90","","99.83","0.011","90","","2510.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0795","0.0613","","","0.1546","0.1699","","","","","","1.065","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213996","10.377","0.002","16.06","0.003","15.031","0.003","90","","100.45","0.03","90","","2463.4","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1158","0.0824","","","0.1875","0.2172","","","","","","1.437","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213997","10.3834","0.0005","16.0279","0.0008","15.0219","0.0045","90","","100.443","0.007","90","","2458.6","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0525","","","0.1281","0.1458","","","","","","1.017","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213998","48.2903","0.0015","13.6014","0.0003","22.1554","0.0005","90","","100.647","0.003","90","","14301.5","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H145 Cu N20 Na2 O148 P4 Tb W34 -","- C12 H52 Cu N12 Na2 O136 P4 Tb W34 -","- C48 H208 Cu4 N48 Na8 O544 P16 Tb4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0581","0.047","","","0.119","0.1234","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213999","48.3988","0.0017","13.6295","0.0004","22.1644","0.0006","90","","100.66","0.003","90","","14368.5","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H149 Cu Eu N20 Na2 O150 P4 W34 -","- C12 H56 Cu Eu N12 Na2 O144 P4 W34 -","- C48 H224 Cu4 Eu4 N48 Na8 O576 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0545","0.0367","","","0.0795","0.0848","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214000","48.4356","0.0012","13.5979","0.0003","22.1157","0.0005","90","","100.54","0.002","90","","14320.1","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H157 Cu N24 Na2 O146 P4 Sm W34 -","- C12 H56 Cu N12 Na2 O146 P4 Sm W34 -","- C48 H224 Cu4 N48 Na8 O584 P16 Sm4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1127","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214001","48.5506","0.0011","13.6364","0.0005","22.1072","0.0005","90","","100.436","0.002","90","","14394.1","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C18 H127 Ce Cu N18 Na2 O143 P4 W34 -","- C12 H52 Ce Cu N12 Na2 O142 P4 W34 -","- C48 H208 Ce4 Cu4 N48 Na8 O568 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0934","0.0746","","","0.182","0.1974","","","","","","1.012","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214002","9.1367","0.0002","9.1367","0.0002","25.9692","0.001","90","","90","","120","","1877.45","0.09","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C0 H2 In N0 O6 P2 -","- H2 In O6 P2 -","- H18 In9 O54 P18 -","9","0.5","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0176","0.0159","","","0.0385","0.0388","","","","","","1.006","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214003","5.4121","0.001","10.234","0.0018","10.5108","0.0019","113.234","0.002","95.522","0.003","92.534","0.002","530.32","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H14 F In N2 O6 P2 -","- C3 H14 F In N2 O6 P2 -","- C6 H28 F2 In2 N4 O12 P4 -","2","1","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0285","0.0247","","","0.0562","0.0592","","","","","","1.087","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214004","8.2519","0.0003","8.2519","0.0003","7.6934","0.0004","90","","90","","120","","453.69","0.03","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- H3 In2 O9 P3 -","- H3 In2 O9 P3 -","- H6 In4 O18 P6 -","2","0.166667","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.018","0.0175","","","0.0433","0.0437","","","","","","1.233","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214005","13.8148","0.0018","13.8148","0.0018","18.612","0.005","90","","90","","120","","3076.2","1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C0 H7 In4 N0 O24 P7 -","- H7 In4 O24 P7 -","- H28 In16 O96 P28 -","4","0.333333","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0555","0.0434","","","0.1198","0.1247","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214006","6.8098","0.0014","31.143","0.006","13.07","0.004","90","","120.24","0.02","90","","2394.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 La2 N O19 -","- C18 H18 La2 N O19 -","- C72 H72 La8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.1349","0.1078","","","0.2664","0.2906","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214007","6.7147","0.0013","30.942","0.006","12.909","0.004","90","","120.14","0.02","90","","2319.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Pr2 -","- C18 H18 N O19 Pr2 -","- C72 H72 N4 O76 Pr8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0465","0.0405","","","0.0909","0.0942","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214008","6.7129","0.0013","30.855","0.006","12.888","0.004","90","","120.73","0.02","90","","2294.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Sm2 -","- C18 H18 N O19 Sm2 -","- C72 H72 N4 O76 Sm8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0637","0.0588","","","0.1381","0.1404","","","","","","1.183","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214009","6.674","0.0013","30.729","0.006","12.805","0.004","90","0.03","120.67","0.02","90","0.03","2258.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Eu2 N O19 -","- C18 H18 Eu2 N O19 -","- C72 H72 Eu8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0309","0.028","","","0.0659","0.0672","","","","","","1.121","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214010","6.675","0.0013","30.726","0.006","12.841","0.004","90","","120.81","0.02","90","","2262","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Gd2 N O19 -","- C18 H18 Gd2 N O19 -","- C72 H72 Gd8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0648","0.0605","","","0.1432","0.145","","","","","","1.179","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214011","6.666","0.0013","30.662","0.006","12.798","0.004","90","","120.79","0.02","90","","2247.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Tb2 -","- C18 H18 N O19 Tb2 -","- C72 H72 N4 O76 Tb8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0825","0.0565","","","0.1149","0.1277","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214012","6.661","0.0013","30.58","0.006","12.763","0.003","90","","121","0.02","90","","2228.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Dy2 N O19 -","- C18 H18 Dy2 N O19 -","- C72 H72 Dy8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0668","0.0522","","","0.13","0.1408","","","","","","1.1","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214013","18.615","0.002","6.0317","0.0007","29.072","0.004","90","","105.908","0.002","90","","3139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0796","0.0482","","","0.1049","0.1165","","","","","","1.017","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214014","10.5204","0.0007","8.7184","0.0006","33.531","0.002","90","","90","","90","","3075.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0656","0.0509","","","0.1385","0.1495","","","","","","1.018","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214015","4.637","0.0018","11.658","0.004","15.392","0.005","67.925","0.012","82.161","0.015","85.996","0.018","763.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0757","0.0645","","","0.1611","0.1759","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214016","10.6279","0.0009","8.7139","0.0007","33.989","0.003","90","","90","","90","","3147.7","0.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C144 H128 Br8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0913","0.0524","","","0.112","0.1274","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214017","18.404","0.005","6.025","0.0015","28.832","0.008","90","","104.628","0.003","90","","3093.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.1177","0.0537","","","0.1202","0.1497","","","","","","0.944","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214018","15.604","0.004","6.263","0.0014","15.601","0.004","90","","90.68","0.003","90","","1524.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0526","0.0433","","","0.1152","0.1234","","","","","","1.058","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214019","4.9227","0.0002","13.9837","0.0003","15.7876","0.0003","90","","90","","90","","1086.78","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Li2 O10 -","- C8 H10 Li2 O10 -","- C32 H40 Li8 O40 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0329","0.0308","","","0.0881","0.0895","","","","","","1.075","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214020","21.6635","0.0016","8.1817","0.0004","8.1299","0.0006","90","","98.514","0.004","90","","1425.1","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Li4 O13 -","- C8 H16 Li4 O13 -","- C32 H64 Li16 O52 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0391","0.0327","","","0.0919","0.095","","","","","","1.079","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214021","5.3722","0.0002","13.4257","0.0011","12.451","0.001","90","","91.272","0.005","90","","897.81","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Na O8 -","- C8 H7 Na O8 -","- C32 H28 Na4 O32 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0517","0.0369","","","0.0976","0.1032","","","","","","1.039","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214022","8.4001","0.0007","13.7383","0.0011","6.4302","0.0004","90","","104.284","0.005","90","","719.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 K2 O12 -","- C8 H14 K2 O12 -","- C16 H28 K4 O24 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0355","0.0283","","","0.07","0.0725","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214023","8.6068","0.0002","5.5968","0.0002","10.716","0.0003","90","","92.205","0.002","90","","515.81","0.03","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H7 K O8 -","- C8 H7 K O8 -","- C16 H14 K2 O16 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0351","0.0329","","","0.0915","0.0923","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214024","8.1309","0.0004","9.662","0.0005","12.7399","0.0005","90","","90","","90","","1000.86","0.08","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 O8 Rb -","- C8 H7 O8 Rb -","- C32 H28 O32 Rb4 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0277","0.0232","","","0.0654","0.0673","","","","","","1.072","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214025","9.8276","0.0003","9.8276","0.0003","10.2207","0.0005","90","","90","","90","","987.13","0.06","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C8 H7 Cs O8 -","- C8 H4 Cs O8 -","- C32 H16 Cs4 O32 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0261","0.0231","","","0.0605","0.0613","","","","","","1.155","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214026","6.2442","0.0005","13.1523","0.0012","8.5929","0.0005","90","","96.82","0.006","90","","700.7","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C2 H5 N3 O3 P S -","- C2 H5 N3 O3 P S -","- C8 H20 N12 O12 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.5418","CuKα","","0.0834","0.0769","","0.0679","0.0662","0.0662","","","","","","1.1054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214027","5.2","0.00007","10.2243","0.00015","13.06242","0.00017","90","","90","","90","","694.481","0.017","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-amino-1,3,4-thiadiazolium(1+) hydrogen sulphate","","","- C2 H5 N3 O4 S2 -","- C2 H5 N3 O4 S2 -","- C8 H20 N12 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0202","0.0202","","","0.0503","0.0503","","","","","","0.879","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214028","4.4119","0.0001","21.9024","0.0005","7.519","0.0002","90","","94.531","0.002","90","","724.3","0.03","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","2-amino-1,3,4-thiadiazolium(1+) dihydrogen phosphate","","","- C2 H6 N3 O4 P S -","- C2 H6 N3 O4 P S -","- C8 H24 N12 O16 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0297","0.0296","","","0.0839","0.084","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214029","6.6897","0.0002","8.3773","0.0002","10.9734","0.0003","90","","103.301","0.003","90","","598.47","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) nitrate","","","- C2 H4 N4 O3 S -","- C2 H4 N4 O3 S -","- C8 H16 N16 O12 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0435","0.0402","","","0.1077","0.1125","","","","","","1.099","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214030","5.5377","0.0001","13.9715","0.0002","7.6737","0.0001","90","","93.472","0.001","90","","592.624","0.016","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","Bis(2-amino-1,3,4-thiadiazolium(1+) selenate monohydrate","","","- C4 H8 N6 O5 S2 Se -","- C4 H8 N6 O5 S2 Se -","- C8 H16 N12 O10 S4 Se2 -","2","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.035","0.035","","","0.0873","0.0873","","","","","","1.129","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214031","4.9574","0.0001","8.7771","0.0002","14.2055","0.0003","90","","97.481","0.002","90","","612.84","0.02","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) chloride monohydrate","","","- C2 H6 Cl N3 O S -","- C2 H6 Cl N3 O S -","- C8 H24 Cl4 N12 O4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0652","0.0642","","","0.1793","0.181","","","","","","1.127","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214032","4.9817","0.0001","20.0865","0.0003","11.0569","0.0002","90","","90.643","0.002","90","","1106.34","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-amino-1,3,4-tihiadiazole 2-amino-1,3,4-thiadiazolium(1+) perchlorate","","","- C4 H7 Cl N6 O4 S2 -","- C4 H7 Cl N6 O4 S2 -","- C16 H28 Cl4 N24 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0301","0.0292","","","0.0784","0.0793","","","","","","1.038","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214033","5.0168","0.0003","18.6658","0.0011","7.4367","0.0005","90","","102.148","0.002","90","","680.8","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,5-thiadiazolium(1+) perchlorate","","","- C3 H Cl N3 O4 S -","- C2 H4 Cl N3 O4 S -","- C8 H16 Cl4 N12 O16 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","0.71073","MoKα","","0.0235","0.0223","","","0.0646","0.0662","","","","","","0.597","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214034","46.552","0.013","15.749","0.004","22.925","0.006","90","","90","","90","","16807","8","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Cl K La Mo12 N20 O78 P -","- C30 H30 Cl K La Mo12 N20 O68 P -","- C240 H240 Cl8 K8 La8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0602","0.049","","","0.114","0.1203","","","","","","1.037","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214035","46.525","0.007","15.707","0.002","22.889","0.003","90","","90","","90","","16727","4","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Ce Cl K Mo12 N20 O78 P -","- C30 H30 Ce Cl K Mo12 N20 O68 P -","- C240 H240 Ce8 Cl8 K8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0582","0.0476","","","0.107","0.113","","","","","","1.036","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214036","46.551","0.005","15.6964","0.0017","22.913","0.003","90","","90","","90","","16742","3","223","2","223","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C30 H69 Cl Mo12 N20 O79 P Pr -","- C30 H30 Cl Mo12 N20 O65 P Pr -","- C240 H240 Cl8 Mo96 N160 O520 P8 Pr8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0835","0.0564","","","0.1245","0.1357","","","","","","1.015","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214037","22.648","0.004","15.759","0.003","23.177","0.004","90","","90","","90","","8272","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H62 Cl K Mo12 N20 Nd O76 P -","- C30 H30 Cl K Mo12 N20 Nd O64 P -","- C120 H120 Cl4 K4 Mo48 N80 Nd4 O256 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1094","0.0831","","","0.2169","0.2369","","","","","","1.091","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214038","22.655","0.013","15.874","0.009","23.21","0.013","90","","90","","90","","8347","8","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl K Mo12 N20 O74 P Sm -","- C30 H30 Cl K Mo12 N20 O65 P Sm -","- C120 H120 Cl4 K4 Mo48 N80 O260 P4 Sm4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0913","0.0648","","","0.1748","0.1914","","","","","","1.118","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214039","22.524","0.004","15.876","0.003","23.193","0.004","90","","90","","90","","8294","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Eu K Mo12 N20 O74 P -","- C30 H30 Cl Eu K Mo12 N20 O65 P -","- C120 H120 Cl4 Eu4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0932","0.0628","","","0.1618","0.1773","","","","","","1.086","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214040","22.485","0.003","15.879","0.002","23.163","0.003","90","","90","","90","","8270.1","1.9","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Gd K Mo12 N20 O74 P -","- C30 H30 Cl Gd K Mo12 N20 O65 P -","- C120 H120 Cl4 Gd4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0834","0.0587","","","0.1553","0.1691","","","","","","1.109","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214041","16.5175","0.0013","14.4895","0.0012","33.998","0.003","90","","99.206","0.002","90","","8031.9","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 K2 Mo12 N21 O77 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.095","0.0657","","","0.1736","0.195","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214042","16.4852","0.0011","14.4496","0.0009","33.998","0.002","90","","99.185","0.002","90","","7994.6","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O68 P -","- C120 H120 K8 Mo48 N84 O272 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0719","0.0608","","","0.1457","0.1516","","","","","","1.051","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214043","16.488","0.0007","14.4729","0.0006","33.9442","0.0013","90","","99.196","0.002","90","","7996","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O69 P -","- C120 H120 K8 Mo48 N84 O276 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0756","0.0557","","","0.1388","0.1497","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214044","16.536","0.002","14.4599","0.0018","33.916","0.004","90","","99.14","0.004","90","","8006.7","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0749","0.0531","","","0.1381","0.152","","","","","","1.093","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214045","16.5232","0.0015","14.4587","0.0012","33.985","0.003","90","","99.026","0.003","90","","8018.6","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 K2 Mo12 N20 O76 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1025","0.0688","","","0.193","0.2092","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214046","16.622","0.002","14.5029","0.0019","33.98","0.005","90","","98.924","0.004","90","","8092.3","1.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0561","0.0489","","","0.1439","0.1482","","","","","","1.094","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214047","16.543","0.002","14.4575","0.0018","33.922","0.004","90","","99.052","0.004","90","","8012.1","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O67 P -","- C120 H120 K8 Mo48 N80 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0842","0.0649","","","0.1967","0.219","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214048","14.812","0.006","13.727","0.005","14.452","0.005","90","","112.457","0.006","90","","2715.6","1.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Co F6 N2 O4 -","- C29 H20 Co F6 N2 O4 -","- C116 H80 Co4 F24 N8 O16 -","4","1","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0604","0.0481","","","0.0897","0.0958","","","","","","1.112","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214049","13.336","0.006","24.714","0.01","14.403","0.006","90","","112.42","0.007","90","","4388","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H58 Co3 F24 N4 O16 -","- C92 H58 Co3 F24 N4 O16 -","- C184 H116 Co6 F48 N8 O32 -","2","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0834","0.0644","","","0.1602","0.1745","","","","","","1.069","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214050","15.792","0.005","15.821","0.005","18.031","0.006","100.763","0.004","100.701","0.002","100.779","0.003","4233","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H94 Co5 F24 N8 O22 -","- C92 H56 Co5 F24 N4 O18 -","- C92 H56 Co5 F24 N4 O18 -","1","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0902","0.0702","","","0.1948","0.2067","","","","","","0.93","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214051","9.5231","0.001","10.2095","0.0011","11.7475","0.0013","105.625","0.001","91.665","0.001","106.879","0.001","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N6 O6 Zn -","- C17 H22 N6 O6 Zn -","- C34 H44 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0369","0.0302","","","0.0734","0.077","","","","","","1.062","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214052","16.879","0.004","8.2185","0.0018","22.862","0.005","90","","92.936","0.002","90","","3167.3","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N9 O8 Zn2 -","- C30 H30 N9 O8 Zn2 -","- C120 H120 N36 O32 Zn8 -","4","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0327","0.0254","","","0.0615","0.0648","","","","","","1.03","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214053","9.2209","0.0011","10.2628","0.0012","12.7492","0.0015","111.664","0.001","93.59","0.001","112.631","0.001","1005","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O6 Zn -","- C16 H18 N6 O6 Zn -","- C32 H36 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0526","0.0454","","","0.1462","0.1526","","","","","","1.113","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214054","17.257","0.004","10.829","0.003","17.134","0.004","90","","101.765","0.003","90","","3134.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0507","0.036","","","0.0858","0.0946","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214055","18.004","0.005","9.661","0.003","19.023","0.005","90","","112.238","0.003","90","","3062.7","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0407","0.0305","","","0.0714","0.0774","","","","","","0.95","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214056","20.682","0.003","10.4091","0.0013","19.858","0.003","90","","118.104","0.003","90","","3771","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd N7 O8 -","- C14 H15 Cd N7 O8 -","- C112 H120 Cd8 N56 O64 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0581","0.0411","","","0.0855","0.0936","","","","","","1.021","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214057","21.049","0.004","10.4209","0.0017","20.232","0.004","90","","120.052","0.004","90","","3841.3","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd I N6 O6 -","- C14 H15 Cd I N6 O6 -","- C112 H120 Cd8 I8 N48 O48 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0847","0.0538","","","0.1443","0.1615","","","","","","1.066","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214058","7.6185","0.0004","9.5814","0.0014","10.5272","0.0016","85.45","0.02","69.833","0.014","70.509","0.013","679.44","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cd N3 O7 -","- C11 H12 Cd N3 O7 -","- C22 H24 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0277","0.0247","","","0.0645","0.0665","","","","","","1.019","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214059","13.2282","0.0016","14.3543","0.0016","16.899","0.002","90","","100.845","0.003","90","","3151.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cd N12 O13 S -","- C20 H31 Cd N12 O13 S -","- C80 H124 Cd4 N48 O52 S4 -","4","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0468","0.0395","","","0.0935","0.0976","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214060","9.5996","0.001","9.7638","0.0014","9.866","0.0017","88.15","0.017","77.431","0.015","64.293","0.01","811.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cd N3 O7 -","- C11 H10 Cd N3 O7 -","- C22 H20 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0398","0.0372","","","0.1127","0.1151","","","","","","1.083","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214061","11.014","0.002","10.8512","0.0018","17.237","0.004","90","","106.171","0.005","90","","1978.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cd2 N12 O21 -","- C22 H36 Cd2 N12 O21 -","- C44 H72 Cd4 N24 O42 -","2","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0663","0.0511","","","0.1328","0.1434","","","","","","1.053","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214062","19.6725","0.0014","10.3235","0.0007","10.5318","0.0007","90","","90","","90","","2138.9","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Cd N6 O6 -","- C20 H16 Cd N6 O6 -","- C80 H64 Cd4 N24 O24 -","4","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0422","0.0358","","","0.0925","0.0969","","","","","","1.084","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214063","8.0884","0.0014","9.9983","0.0019","10.646","0.002","113.859","0.003","95.105","0.002","91.085","0.002","782.8","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cd N4 O9 -","- C11 H13 Cd N4 O9 -","- C22 H26 Cd2 N8 O18 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0241","0.0208","","","0.0435","0.044","","","","","","0.995","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214064","8.891","0.003","9.658","0.003","13.359","0.004","100.128","0.004","90.511","0.003","116.456","0.004","1006","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","1","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.035","0.029","","","0.0672","0.0759","","","","","","1.031","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214065","4.3006","0.0012","12.286","0.004","21.406","0.006","90","","90","","90","","1131","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O2 S -","- C10 H10 F3 N O2 S -","- C40 H40 F12 N4 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0422","0.0371","","","0.0862","0.0892","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214066","9.359","0.003","19.512","0.006","18.547","0.006","90","","90","","90","","3386.9","1.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 N2 S -","- C17 H17 F3 N2 S -","- C136 H136 F24 N16 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.074","0.0531","","","0.1321","0.1462","","","","","","1.033","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214067","6.9316","0.0002","15.6631","0.0005","10.342","0.0003","90","","100.871","0.0018","90","","1102.68","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0509","0.0389","","","0.0995","0.1068","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214068","6.2054","0.0002","11.0782","0.0004","15.7022","0.0004","79.262","0.0018","81.6799","0.0018","81.0105","0.001","1040.06","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0439","0.0382","","","0.0991","0.1047","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214069","4.8958","0.0002","13.2251","0.0006","15.7846","0.0008","90","","90","","90","","1022.01","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0547","0.0451","","","0.1031","0.1102","","","","","","1.095","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214070","15.6603","0.0003","7.402","0.0001","18.6797","0.0003","90","","106.78","0.0009","90","","2073.11","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0489","0.0376","","","0.0946","0.1023","","","","","","1.026","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214071","9.6844","0.0006","10.0511","0.0006","21.3621","0.0014","90","","90","","90","","2079.4","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 S2 -","- C11 H8 N2 S2 -","- C88 H64 N16 S16 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0438","0.042","","","0.1137","0.115","","","","","","1.128","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214072","7.4294","0.0003","12.5543","0.0006","12.7463","0.0005","90","","92.878","0.003","90","","1187.36","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C52 H36 N12 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0937","0.0611","","","0.1316","0.151","","","","","","1.102","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214073","13.173","0.003","7.018","0.0014","14.651","0.003","90","","108.59","0.03","90","","1283.8","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N4 O4 S -","- C13 H8 N4 O4 S -","- C52 H32 N16 O16 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0446","0.0346","","","0.1027","0.1125","","","","","","1.023","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214074","24.399","0.005","5.254","0.0011","9.3849","0.0019","90","","95.68","0.03","90","","1197.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0941","0.0557","","","0.1344","0.1544","","","","","","0.984","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214075","14.857","0.002","13.0971","0.0019","26.97","0.004","90","","90.959","0.004","90","","5247.2","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F3 N2 S -","- C14 H9 F3 N2 S -","- C224 H144 F48 N32 S16 -","16","4","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.1131","0.1056","","","0.3009","0.3112","","","","","","1.098","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214076","6.3326","0.0003","13.4313","0.0008","14.9364","0.0008","72.429","0.002","79.14","0.002","89.112","0.002","1188.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F2 N5 O2 S -","- C26 H23 F2 N5 O2 S -","- C52 H46 F4 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0748","0.0636","","","0.1325","0.1383","","","","","","1.149","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214077","6.203","0.0005","13.8341","0.0012","15.109","0.0014","71.303","0.004","80.718","0.004","88.344","0.004","1211.68","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Cl F N5 O2 S -","- C26 H23 Cl F N5 O2 S -","- C52 H46 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0369","0.0347","","","0.0936","0.0958","","","","","","1.048","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214078","6.5674","0.0008","13.5041","0.0017","16.236","0.002","71.902","0.006","86.12","0.006","89.592","0.006","1365.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H27 Cl F N5 O2 S -","- C29.5 H27 Cl F N5 O2 S -","- C59 H54 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0462","0.0427","","","0.1108","0.1135","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7214079","13.2318","0.0004","24.2575","0.0008","14.1063","0.0005","90","","112.851","0.004","90","","4172.4","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Gd(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Gd N13 O17 -","- C28 H50 Gd N13 O17 -","- C112 H200 Gd4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0386","0.0277","","","0.0563","0.0602","","","","","","1.088","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214080","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123.1","0.4","123.1","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0514","0.0373","","","0.0727","0.0799","","","","","","1.109","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214081","13.2104","0.0006","24.2021","0.0012","14.089","0.0007","90","","112.9","0.001","90","","4149.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Er(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Er N13 O17 -","- C28 H50 Er N13 O17 -","- C112 H200 Er4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0402","0.0304","","","0.0615","0.0653","","","","","","1.001","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214082","13.3165","0.0004","24.168","0.0006","14.0333","0.0004","90","","112.917","0.004","90","","4159.9","0.2","123.1","0.4","123.1","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Gd K N12 O17 -","- C28 H46 Gd K N12 O17 -","- C112 H184 Gd4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0398","0.0292","","","0.0593","0.0644","","","","","","1.044","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214083","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Dy(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0309","0.0257","","","0.0547","0.057","","","","","","1.04","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214084","13.2705","0.0008","24.0464","0.0014","13.9735","0.0008","90","","112.89","0.002","90","","4107.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Er(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Er K N12 O17 -","- C28 H46 Er K N12 O17 -","- C112 H184 Er4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0317","0.0267","","","0.057","0.059","","","","","","1.028","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214085","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.106","0.075","","","0.2014","0.215","","","","","","1.675","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214086","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[K(18c6)(H2O)2][Dy(cdm)4(H2O)4].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.127","0.0929","","","0.2469","0.2604","","","","","","2.002","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214087","21.54","0.02","25.71","0.015","31.95","0.01","90.92","0.04","88.87","0.02","74.53","0.02","17045","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C336 H508 N4 O28 -","- C336 H508 N4 O28 -","- C672 H1016 N8 O56 -","2","1","","Brancatelli, Giovanna; Pappalardo, Sebastiano; Gattuso, Giuseppe; Notti, Anna; Pisagatti, Ilenia; Parisi, Melchiorre F.; Geremia, Silvano","Hydrogen bond-assisted solid-state formation of a salt-bridged calix[5]arene pseudo-dimer","CrystEngComm","2014","16","1","89","","10.1039/c3ce41667d","","","0.77491","","","0.1352","0.1276","","","0.3302","0.3342","","","","","","1.047","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214088","12.4824","0.0012","7.3041","0.0007","15.4872","0.0016","90","","97.536","0.003","90","","1399.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TW-6-27 pyridine N-oxide, 1,3,5-F3-2,4,6-I3-benzene","","- C11 H5 F3 I3 N O -","- C11 H5 F3 I3 N O -","- C44 H20 F12 I12 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0267","0.0249","","","0.0578","0.0586","","","","","","1.21","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214089","7.94","0.0005","8.5688","0.0006","11.5503","0.0008","89.243","0.002","83.738","0.002","65.57","0.002","710.77","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-33 4-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C24 H14 F8 I4 N2 O2 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0753","0.0768","","","","","","1.089","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214090","7.8713","0.0009","23.203","0.003","7.8169","0.0009","90","","92.019","0.004","90","","1426.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-37 3-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C48 H28 F16 I8 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0235","0.0221","","","0.0499","0.0505","","","","","","1.186","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214091","14.1359","0.0014","15.1116","0.0015","24.361","0.003","90","","105.927","0.003","90","","5004.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-13 (2,3,5,6-Me4-pyrazine-1,4-dioxide)2, (1,2-I2-F4-benzene)4","","- C40 H24 F16 I8 N4 O4 -","- C40 H24 F16 I8 N4 O4 -","- C160 H96 F64 I32 N16 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0386","0.0341","","","0.0793","0.0816","","","","","","1.025","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214092","7.966","0.0006","9.2821","0.0007","10.1097","0.0008","100.812","0.003","106.262","0.002","95.408","0.003","696.29","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-15 2,3,5,6-Me4-pyridine-1,4-dioxide, (1,3,5-F3-2,4,6-I3-benzene)2","","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.022","0.0204","","","0.0522","0.053","","","","","","1.133","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214093","10.5781","0.0014","11.0107","0.0014","11.389","0.003","101.089","0.002","109.288","0.002","108.473","0.001","1120.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H14 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","1","0.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0424","0.0323","","","0.0714","0.075","","","","","","1.09","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214094","9.982","0.002","11.711","0.004","13.987","0.002","72.133","0.003","74.511","0.002","78.879","0.002","1488.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.77 H3.23 Ag0.31 Mo0.62 N1.38 O2 -","- C2.76923 H3.23077 Ag0.307692 Mo0.615385 N1.38462 O2 -","- C36 H42 Ag4 Mo8 N18 O26 -","13","6.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0718","0.0503","","","0.1457","0.1627","","","","","","1.089","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214095","9.6707","0.0007","12.307","0.0007","14.5432","0.0012","85.266","0.002","74.549","0.005","82.829","0.006","1653.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N6 O8 S -","- C31 H38 N6 O8 S -","- C62 H76 N12 O16 S2 -","2","1","","Žegarac, Miroslav; Lekšić, Edislav; Šket, Primož; Plavec, Janez; Devčić Bogdanović, Maja; Bučar, Dejan-Krešimir; Dumić, Miljenko; Meštrović, Ernest","A sildenafil cocrystal based on acetylsalicylic acid exhibits an enhanced intrinsic dissolution rate","CrystEngComm","2014","16","1","32","","10.1039/c3ce42013b","","","1.54184","CuKα","","0.187","0.1244","","","0.3147","0.3654","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214096","17.0111","0.0011","17.6763","0.0012","20.7596","0.0015","70.129","0.001","70.393","0.001","89.545","0.001","5490.4","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 Cu1.5 N6 O33 S4 -","- C58 H40 Cu1.5 N6 O33 S4 -","- C116 H80 Cu3 N12 O66 S8 -","2","1","","Zheng, Guo-Li; Yang, Guo-Cheng; Song, Shu-Yan; Song, Xue-Zhi; Zhang, Hong-Jie","Constructing porous MOF based on the assembly of layer framework and p-sulfonatocalix[4]arene nanocapsule with proton-conductive property","CrystEngComm","2014","16","1","64","","10.1039/c2ce26075a","","","0.71073","MoKα","","0.1306","0.0929","","","0.2537","0.2774","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214097","17.778","0.0013","17.778","0.0013","18.6529","0.0013","90","","90","","120","","5105.6","0.6","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-methyl-imidazolate-4-amide-5-imidato)-cobalt(II) dimethylformamide solvate","","- C7.5 H9.5 Co N4.5 O2.5 -","- C6 H6 Co N4 O2 -","- C108 H108 Co18 N72 O36 -","18","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Demeshko, Serhiy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","Synthesis of a Co(ii)‒imidazolate framework from an anionic linker precursor: gas-sorption and magnetic properties","CrystEngComm","2014","16","1","39","","10.1039/c3ce42040j","","","0.71073","MoKα","","0.0772","0.0482","","","0.1142","0.1245","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214098","10.584","0.002","11.362","0.002","15.896","0.003","107.23","0.03","92.05","0.03","109.7","0.03","1699.3","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0456","0.0371","","","0.0837","0.0868","","","","","","0.974","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214099","8.7925","0.0018","11.978","0.002","14.391","0.003","89.67","0.03","74.91","0.03","81.01","0.03","1444.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0316","0.0281","","","0.0647","0.0658","","","","","","0.99","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214100","18.423","0.005","18.423","0.005","26.934","0.007","90","","90","","120","","7917","4","173","2","173","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H180 Co6 N6 O50 Zr6 -","- C120 H180 Co6 N6 O50 Zr6 -","- C240 H360 Co12 N12 O100 Zr12 -","2","0.166667","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.0855","0.085","","","0.2102","0.2106","","","","","","1.232","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214101","36.819","0.004","31.046","0.003","28.384","0.005","90","","123.688","0.001","90","","26997","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C174 H287 Co8 N21 O119 Zr18 -","- C174 H287 Co8 N21 O119 Zr18 -","- C696 H1148 Co32 N84 O476 Zr72 -","4","0.5","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.1198","0.0752","","","0.1916","0.2613","","","","","","1.1","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214102","19.098","0.004","19.098","0.004","16.333","0.003","90","","90","","120","","5159.1","1.8","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C39 H74 N3 O16 P3 -","- C39 H69 N3 O16 P3 -","- C156 H276 N12 O64 P12 -","4","0.333333","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0645","0.0638","","","0.1783","0.179","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214103","11.946","0.005","11.952","0.005","12.21","0.005","116.916","0.007","90.454","0.004","92.865","0.007","1551.6","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N O5 P -","- C13 H24 N O5 P -","- C52 H96 N4 O20 P4 -","4","2","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0654","0.049","","","0.1051","0.1131","","","","","","1.058","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214104","19.394","0.016","35.68","0.03","15.18","0.011","90","","90.311","0.015","90","","10504","15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20.66667 N O4.33333 P -","- C12 H19 N O4.33333 P -","- C288 H456 N24 O104 P24 -","24","3","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.1435","0.1331","","","0.2882","0.2947","","","","","","1.241","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214105","29.37","0.006","20.998","0.003","27.36","0.004","90","","90","","90","","16873","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H12 Cd1.81 Na0.69 O12 -","- C24 H12 Cd1.84 Na0.66 O12 -","- C384 H192 Cd29.44 Na10.56 O192 -","16","1","","Luo, Yu-Hui; Yu, Xiao-Yang; Yang, Jia-Jun; Zhang, Hong","An eight-connected porous metal‒organic framework based on hetero pentanuclear clusters","CrystEngComm","2014","16","1","47","","10.1039/c3ce41785a","","","0.71073","MoKα","","0.1016","0.0746","","","0.1961","0.2174","","","","","","0.991","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214106","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.082","0.0466","","","0.102","0.1159","","","","","","1.03","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214107","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","173D","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1131","0.0572","","","0.1402","0.1685","","","","","","0.965","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214108","10.5793","0.0002","23.1141","0.0004","22.866","0.0004","90","","99.516","0.001","90","","5514.5","0.17","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H56 N6 Ni S2 -","- C61.968 H55.96 N6 Ni S2 -","- C247.872 H223.84 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1116","0.0608","","","0.1572","0.1778","","","","","","0.912","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214109","10.6221","0.0007","23.1917","0.0016","23.0275","0.0015","90","","99.649","0.004","90","","5592.4","0.6","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.99 H55.99 N6 Ni S2 -","- C61.984 H55.98 N6 Ni S2 -","- C247.936 H223.92 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1347","0.058","","","0.1517","0.1847","","","","","","1.018","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214110","11.0368","0.0005","8.6083","0.0004","12.0762","0.0006","90","","109.049","0.005","90","","1084.51","0.09","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-2-Pyrrolidinone","","","- C21 H21 F3 N4 O3 S -","- C21 H21 F3 N4 O3 S -","- C42 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0509","0.0435","","","0.1047","0.1109","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214111","8.0409","0.0005","27.2426","0.0018","11.7927","0.0008","90","","105.806","0.007","90","","2485.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Aza-2-cyclooctanone","","","- C24 H27 F3 N4 O3 S -","- C24 H27 F3 N4 O3 S -","- C96 H108 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1211","0.076","","","0.2099","0.2281","","","","","","1.031","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214112","11.7189","0.0011","8.7409","0.0006","12.0503","0.001","90","","103.353","0.01","90","","1200.99","0.18","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-Caprolactam","","","- C23 H25 F3 N4 O3 S -","- C23 H25 F3 N4 O3 S -","- C46 H50 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0595","0.0544","","","0.1495","0.1559","","","","","","1.017","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214113","8.7346","0.0006","11.2689","0.001","12.2391","0.0009","81.622","0.007","87.56","0.006","73.363","0.007","1141.94","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Celecoxib-Valerolactam-Form-I","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C44 H46 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1207","0.0577","","","0.1078","0.1374","","","","","","0.953","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214114","22.591","0.002","8.6211","0.0008","23.814","0.002","90","","102.163","0.001","90","","4533.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Valerolactam-Form-II","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C176 H184 F24 N32 O24 S8 -","8","2","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0762","0.0618","","","0.1728","0.1878","","","","","","1.027","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214115","14.8501","0.0018","8.419","0.0011","17.761","0.002","90","","93.901","0.002","90","","2215.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Celecoxib-Valerolactam-Form-III","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0998","0.085","","","0.1802","0.1881","","","","","","1.234","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214137","13.2539","0.0016","4.4978","0.0005","15.1638","0.0018","90","","113.097","0.001","90","","831.51","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0581","0.0409","","","0.1062","0.1181","","","","","","1.045","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214138","7.5226","0.0005","8.9711","0.0006","9.9836","0.0006","108.789","0.001","96.883","0.001","96.573","0.001","624.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0381","0.0377","","","0.1135","0.1139","","","","","","1.236","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214139","7.6133","0.0007","9.0446","0.0009","9.8805","0.0009","109.078","0.001","97.01","0.001","96.388","0.001","629.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0398","0.0354","","","0.1003","0.1043","","","","","","1.083","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214140","9.726","0.012","10.303","0.013","13.774","0.017","82.146","0.018","71.384","0.018","83.78","0.02","1293","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.1468","0.0571","","","0.0846","0.107","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214141","6.9803","0.0001","8.0918","0.0001","9.3207","0.0001","70.662","0.001","74.329","0.001","74.113","0.001","468.351","0.011","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Ag N3 O3 -","- C8 H8 Ag N3 O3 -","- C16 H16 Ag2 N6 O6 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0272","0.0245","","","0.059","0.061","","","","","","1.052","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214142","13.3029","0.001","15.8363","0.0012","8.052","0.0006","90","","93.003","0.001","90","","1694","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N6 O5 Zn -","- C16 H14 N6 O5 Zn -","- C64 H56 N24 O20 Zn4 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0236","0.0219","","","0.0614","0.0625","","","","","","1.054","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214143","13.7012","0.0009","16.2853","0.001","7.9527","0.0005","90","","95.641","0.001","90","","1765.88","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cd N6 O5 -","- C16 H14 Cd N6 O5 -","- C64 H56 Cd4 N24 O20 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0179","0.0168","","","0.0461","0.047","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214144","9.485","0.0009","10.5635","0.001","15.7452","0.0016","98.015","0.001","91.021","0.001","114.802","0.001","1413","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu2 N9 O8 -","- C24 H21 Cu2 N9 O8 -","- C48 H42 Cu4 N18 O16 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0596","0.0457","","","0.1355","0.1465","","","","","","1.046","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214145","16.2735","0.0018","7.0113","0.0008","7.9722","0.0009","90","","90.037","0.001","90","","909.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N6 O6 -","- C16 H16 Mn N6 O6 -","- C32 H32 Mn2 N12 O12 -","2","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0402","0.0312","","","0.0752","0.0866","","","","","","1.105","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214146","8.697","0.004","18.417","0.003","19.169","0.004","90","","107.498","0.013","90","","2928.3","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C144 H104 N40 -","8","2","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0763","0.0426","","","0.089","0.0997","","","","","","0.905","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214147","7.548","0.004","10.06","0.005","30.328","0.003","85.046","0.004","87.38","0.002","77.318","0.001","2237.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 N12 O15.5 Zn -","- C36 H30 N12 O15.5 Zn -","- C72 H60 N24 O31 Zn2 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.1422","0.1039","","","0.2595","0.2826","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214148","11.642","0.003","10.284","0.005","19.916","0.003","90","","114.706","0.016","90","","2166.2","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H46 N10 O11 Zn -","- C40 H36 N10 O11 Zn -","- C80 H72 N20 O22 Zn2 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.126","0.0553","","","0.1135","0.1351","","","","","","0.869","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214149","12.036","0.003","10.259","0.003","17.392","0.004","90","","103.406","0.004","90","","2089","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H44 Cd N12 O15 -","- C36 H26 Cd N12 O15 -","- C72 H52 Cd2 N24 O30 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.151","0.0965","","","0.265","0.293","","","","","","0.994","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214150","10.395","0.003","11.295","0.004","17.949","0.002","74.14","0.004","84.051","0.004","77.807","0.003","1979.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cd N10 O7 -","- C40 H31 Cd N10 O7 -","- C80 H62 Cd2 N20 O14 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0996","0.0501","","","0.0971","0.1099","","","","","","0.853","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214151","9.1893","0.0003","26.0295","0.0008","12.8033","0.0004","90","","93.311","0.001","90","","3057.35","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Co3 N3 O17 -","- C25 H27 Co3 N3 O17 -","- C100 H108 Co12 N12 O68 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0334","0.0271","","","0.0661","0.079","","","","","","1.105","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214152","19.0317","0.0008","7.4124","0.0004","26.3256","0.0012","90","","90.092","0.002","90","","3713.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Co4 N4 O26 -","- C28 H32 Co4 N4 O26 -","- C112 H128 Co16 N16 O104 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0283","0.0272","","","0.0671","0.068","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214153","16.4253","0.0004","15.1866","0.0004","12.6499","0.0003","90","","101.602","0.001","90","","3090.98","0.13","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Co2 N6 O14 -","- C28 H34 Co2 N6 O14 -","- C112 H136 Co8 N24 O56 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0399","0.0361","","","0.0908","0.0935","","","","","","0.997","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214154","14.437","0.009","17.293","0.011","5.604","0.004","90","","90.202","0.008","90","","1399.1","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O8 P2 -","- C11 H18 N2 O8 P2 -","- C44 H72 N8 O32 P8 -","4","1","","Tian, Di; Xiong, Juan; Liang, Xi-chao; Deng, Jing; Yuan, Liang-jie; Chen, Shuo-ping","(AEDPH3)·(8-OQH)·(H2O): a yellow supramolecular plaster with ammonia adsorption and ammonia-induced discoloration properties","CrystEngComm","2014","16","13","2732","","10.1039/c3ce41940a","","","0.71073","MoKα","","0.1246","0.1117","","","0.3106","0.3306","","","","","","1.378","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214155","16.654","0.003","20.426","0.004","21.802","0.007","90","","128.991","0.018","90","","5764","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Co3 N3 O23 S3 -","- C48 H38 Co3 N2 O22 S3 -","- C192 H152 Co12 N8 O88 S12 -","4","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1238","0.0939","","","0.2407","0.2602","","","","","","1.118","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214156","25.087","0.004","25.087","0.004","15.026","0.003","90","","90","","90","","9457","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Co2 N3 O9 S -","- C16 H10 Co2 N3 O8 S -","- C256 H160 Co32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.041","","","0.1055","0.1095","","","","","","1.119","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214157","25.37","0.01","25.37","0.01","15.204","0.003","90","","90","","90","","9786","6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H16 Co2 N4 O9 S -","- C16 H11 Co2 N4 O8 S -","- C256 H176 Co32 N64 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1506","0.1078","","","0.2408","0.2701","","","","","","1.149","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214158","23.564","0.005","7.1412","0.0014","32.254","0.007","90","","105.5","0.03","90","","5230","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Co N3 O8.5 S2 -","- C24 H16 Co N3 O7 S2 -","- C192 H128 Co8 N24 O56 S16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0825","0.0623","","","0.1252","0.1351","","","","","","1.142","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214159","12.248","0.002","22.262","0.005","7.1435","0.0014","90","","124.47","0.03","90","","1605.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H13 Cu O8.5 S -","- C14 H8 Cu O7 S -","- C56 H32 Cu4 O28 S4 -","4","0.5","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.0409","","","0.095","0.0987","","","","","","1.07","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214160","24.344","0.003","24.344","0.003","15.067","0.003","90","","90","","90","","8929","2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Cu2 N3 O9 S -","- C16 H10 Cu2 N3 O8 S -","- C256 H160 Cu32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0814","0.0722","","","0.1833","0.1913","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214161","30.671","0.006","16.577","0.003","9.851","0.002","90","","90","","90","","5008.6","1.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 N8 O6.5 S Zn2 -","- C18 H14 N8 O6 S Zn2 -","- C144 H112 N64 O48 S8 Zn16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0755","0.0505","","","0.1138","0.1252","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214162","22.9377","0.0004","11.6666","0.0002","23.2743","0.0003","90","","110.939","0.001","90","","5817.01","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Co2 N4 O4 -","- C36 H24 Co2 N4 O4 -","- C288 H192 Co16 N32 O32 -","8","1","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.04","0.0292","","","0.0723","0.0791","","","","","","1.047","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214163","13.2745","0.0008","13.8673","0.0007","14.0374","0.0008","68.967","0.003","62.873","0.004","68.017","0.003","2076.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","1","0.5","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.0827","0.0441","","","0.0975","0.1171","","","","","","0.995","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7214164","8.792","0.004","11.024","0.005","16.479","0.007","84.58","0.007","85.459","0.007","78.893","0.007","1557.2","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H74 Mn4 N4 O26 -","- C58 H72 Mn4 N4 O25 -","- C58 H72 Mn4 N4 O25 -","1","0.5","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.1019","0.0659","","","0.1601","0.1833","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214165","11.08","0.003","16.583","0.004","16.6","0.004","68.533","0.005","89.208","0.004","89.167","0.004","2838.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N0 Ni2 O22 -","- C34 H30 Ni2 O16 -","- C68 H60 Ni4 O32 -","2","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0844","0.0555","","","0.1564","0.1662","","","","","","0.956","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214166","15.4676","0.0017","13.1962","0.0015","26.497","0.003","90","","98.729","0.002","90","","5345.8","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Cd2 N4 O19 -","- C39 H35 Cd2 N O15 -","- C156 H140 Cd8 N4 O60 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0551","0.0412","","","0.1128","0.1197","","","","","","1.033","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214167","10.168","0.003","18.035","0.005","27.054","0.008","90","","99.321","0.005","90","","4896","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Co2 N3 O19 -","- C34 H27 Co2 O14 -","- C136 H108 Co8 O56 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0659","0.0525","","","0.1531","0.1599","","","","","","1.069","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214168","10.107","0.004","18.338","0.007","27.084","0.011","90","","99.285","0.008","90","","4954","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O20 Zn2 -","- C34 H26 O14 Zn2 -","- C136 H104 O56 Zn8 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0896","0.0492","","","0.1216","0.1326","","","","","","0.86","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214169","8.047","0.002","8.016","0.002","12.733","0.004","90","","95.38","0.004","90","","817.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N3 O4 -","- C6 H6 Ag N3 O4 -","- C24 H24 Ag4 N12 O16 -","4","1","","Zhao, Ya-Qin; Fang, Ming-Xiang; Xu, Zheng-Hu; Wang, Xing-Po; Wang, Su-Na; Han, Lu-Lu; Li, Xiao-Yu; Sun, Di","Construction of a crystalline Ag(i) coordination polymer based on a new ligand generated from unusual in situ aza-Michael addition reaction","CrystEngComm","2014","16","14","3015","","10.1039/c4ce00087k","","","0.71073","MoKα","","0.0285","0.026","","","0.0592","0.0604","","","","","","1.088","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214170","3.9061","0.0001","20.4757","0.0003","10.6097","0.0002","90","","98.436","0.001","90","","839.38","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0589","0.0405","","","0.1071","0.1178","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214171","19.181","0.004","11.579","0.003","12.642","0.003","90","","90","","90","","2807.7","1.1","293","2","293","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C64 H48 Ag12 Cl12 N32 O48 S8 -","4","0.25","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0676","0.0401","","","0.0929","0.1087","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214172","22.2549","0.0004","9.4868","0.0002","15.7184","0.0003","90","","91.476","0.001","90","","3317.49","0.11","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ag3 F9 N8 O9 S5 -","- C19 H12 Ag3 F9 N8 O9 S5 -","- C76 H48 Ag12 F36 N32 O36 S20 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0396","0.0356","","","0.0964","0.0992","","","","","","1.063","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214173","11.135","0.005","12.38","0.006","14.607","0.007","84.662","0.012","89.537","0.011","67.261","0.01","1848.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Ag3 F9 N8 O12 S5 -","- C19 H16 Ag3 F9 N8 O12 S5 -","- C38 H32 Ag6 F18 N16 O24 S10 -","2","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1144","0.0588","","","0.1317","0.1583","","","","","","1.019","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214174","8.9469","0.0002","23.6973","0.0006","7.3859","0.0002","90","","108.4","0.002","90","","1485.88","0.07","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H8 Ag2 N6 O7 S -","- C8 H8 Ag2 N6 O7 S -","- C32 H32 Ag8 N24 O28 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0325","0.028","","","0.061","0.064","","","","","","1.03","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214175","8.5705","0.0007","15.3195","0.0013","8.431","0.0006","90","","90","","90","","1106.95","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N5 O2 S -","- C8 H6 Ag N5 O2 S -","- C32 H24 Ag4 N20 O8 S4 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0263","0.0231","","","0.0564","0.0591","","","","","","1.051","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214176","18.4365","0.0017","10.2983","0.0009","15.905","0.003","90","","118.923","0.003","90","","2643.1","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Ag2 N6 O4 S -","- C8 H6 Ag2 N6 O4 S -","- C64 H48 Ag16 N48 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0332","0.0306","","","0.0695","0.0711","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214177","18.7675","0.0004","22.308","0.0004","13.9336","0.0005","90","","128.147","0.001","90","","4587.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Ag2 F10 N4 O4 S -","- C14 H6 Ag2 F10 N4 O4 S -","- C112 H48 Ag16 F80 N32 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1198","0.0574","","","0.1534","0.1868","","","","","","1.042","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214178","10.1484","0.0014","21.509","0.003","25.374","0.003","90","","99.561","0.002","90","","5461.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Gd N3 O13 S2 -","- C21 H18 Gd N3 O13 S2 -","- C168 H144 Gd8 N24 O104 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0651","0.0487","","","0.1428","0.1587","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214179","20.199","0.004","18.625","0.003","13.918","0.003","90","","117.069","0.002","90","","4662.5","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 Nd O9 S2 -","- C22 H13 N3 Nd O9 S2 -","- C176 H104 N24 Nd8 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1163","0.0554","","","0.1062","0.1211","","","","","","0.998","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214180","20.1864","0.0016","18.5532","0.0015","13.8708","0.0011","90","","117.337","0.001","90","","4614.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Eu N3 O9 S2 -","- C22 H13 Eu N3 O9 S2 -","- C176 H104 Eu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0467","0.0353","","","0.101","0.1093","","","","","","1.001","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214181","20.084","0.004","18.534","0.004","13.831","0.004","90","","117.639","0.002","90","","4560.9","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Tb -","- C22 H15 N3 O9 S2 Tb -","- C176 H120 N24 O72 S16 Tb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1069","0.0555","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214182","20.01","0.003","18.516","0.002","13.7905","0.0018","90","","117.896","0.002","90","","4515.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Er N3 O9 S2 -","- C22 H13 Er N3 O8.5 S2 -","- C176 H104 Er8 N24 O68 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0961","0.0544","","","0.1156","0.1336","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214183","19.952","0.007","18.5","0.006","13.756","0.005","90","","117.935","0.004","90","","4486","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Yb -","- C22 H15 N3 O9 S2 Yb -","- C176 H120 N24 O72 S16 Yb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0776","0.0473","","","0.1028","0.1197","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214184","19.858","0.003","18.452","0.002","13.7432","0.0018","90","","118.078","0.002","90","","4443.1","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Lu N3 O9 S2 -","- C22 H13 Lu N3 O9 S2 -","- C176 H104 Lu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0797","0.0467","","","0.0949","0.1115","","","","","","1.015","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214185","8.9698","0.0006","21.7582","0.0015","13.4973","0.001","90","","92.164","0.001","90","","2632.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O13 S2 Yb -","- C22 H23 N3 O13 S2 Yb -","- C88 H92 N12 O52 S8 Yb4 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0375","0.0302","","","0.0757","0.0792","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214186","8.983","0.002","21.722","0.005","13.532","0.003","90","","92.122","0.003","90","","2638.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Lu N3 O13 S2 -","- C22 H23 Lu N3 O13 S2 -","- C88 H92 Lu4 N12 O52 S8 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0878","0.0528","","","0.1211","0.1391","","","","","","0.982","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214187","19.408","0.006","13.692","0.004","23.83","0.007","90","","90.937","0.004","90","","6332","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C1.2 H1.4 N0.14 O0.72 S0.1 Yb0.05 -","- C1.20482 H0.915663 N0.144578 O0.722892 S0.0963855 Yb0.0481928 -","- C200 H152 N24 O120 S16 Yb8 -","166","20.75","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0752","0.0473","","","0.1113","0.1245","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214188","19.4274","0.0014","13.6955","0.001","23.855","0.0017","90","","91.004","0.001","90","","6346.1","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Lu N3 O15 S2 -","- C25 H19 Lu N3 O15 S2 -","- C200 H152 Lu8 N24 O120 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0557","0.0376","","","0.0919","0.1017","","","","","","1.026","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214189","10.744","0.003","11.964","0.003","12.004","0.006","109.647","0.004","103.175","0.004","109.375","0.003","1266.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Dy N3 O10 S2 -","- C25 H19 Dy N3 O10 S2 -","- C50 H38 Dy2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0552","0.0459","","","0.1136","0.1222","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214190","10.7213","0.001","11.9418","0.0011","11.9667","0.0011","109.74","0.001","103.138","0.001","109.217","0.001","1259.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Er N3 O10 S2 -","- C25 H19 Er N3 O10 S2 -","- C50 H38 Er2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0409","0.0346","","","0.0786","0.0824","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214191","11.0387","0.0002","11.0387","0.0002","6.6318","0.0005","90","","90","","90","","808.1","0.06","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H12 B Br Cd N8 -","- C12 H12 B Br Cd N8 -","- C24 H24 B2 Br2 Cd2 N16 -","2","0.25","","Yang, E.; Wang, Lin; Zhang, Jian","A luminescent neutral cadmium(ii)‒boron(iii)‒imidazolate framework with sql net","CrystEngComm","2014","16","14","2889","","10.1039/c3ce42604a","","","0.71073","MoKα","","0.0725","0.0626","","","0.1614","0.1706","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214219","8.2063","0.0005","8.2062","0.0005","9.3823","0.001","90","","90","","90","","631.83","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Mn O5 -","- C4 H6 Mn O5 -","- C16 H24 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0312","0.0244","","","0.0438","0.0456","","","","","","1.108","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214220","13.5402","0.0004","13.5402","0.0004","17.444","0.0009","90","","90","","90","","3198.1","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H8 Mn O5 -","- C5 H8 Mn O5 -","- C80 H128 Mn16 O80 -","16","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.0271","0.0255","","","0.0658","0.067","","","","","","1.083","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214221","24.711","0.002","6.8871","0.0004","10.9942","0.0006","90","","90","","90","","1871.1","0.2","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C56 H96 Mn8 O40 -","8","","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0435","0.0349","","","0.0806","0.0867","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214222","7.9692","0.0009","9.1132","0.0008","12.9102","0.0011","90","","102.204","0.007","90","","916.41","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C28 H48 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0961","0.0473","","","0.0757","0.0867","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214223","9.2037","0.0003","7.9073","0.0002","29.7366","0.0013","90","","90","","90","","2164.12","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Mn O5 -","- C10 H10 Mn O5 -","- C80 H80 Mn8 O40 -","8","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.05","0.0321","","","0.065","0.0718","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214224","22.0703","0.0008","22.0703","0.0008","12.6143","0.0009","90","","90","","90","","6144.4","0.5","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ba18 F18 In8 S21 -","- Ba18 F18 In8 S21 -","- Ba72 F72 In32 S84 -","4","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0474","0.0443","","","0.1426","0.1454","","","","","","1.166","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214225","12.5686","0.0008","19.2822","0.0012","12.5835","0.0009","90","","90","","90","","3049.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba9 F10 In4 S10 -","- Ba9 F10 In4 S10 -","- Ba36 F40 In16 S40 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0586","0.0523","","","0.1418","0.1477","","","","","","1.049","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214226","7.6058","0.0006","10.2154","0.0007","12.2851","0.0012","102.799","0.005","97.934","0.005","98.974","0.005","904.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","1","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0395","0.0373","","","0.1299","0.131","","","","","","1.183","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214227","13.7823","0.0007","9.7678","0.0007","20.5058","0.0017","90","","96.553","0.004","90","","2742.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N14 O6 Zn3 -","- C20 H18 N14 O6 Zn3 -","- C80 H72 N56 O24 Zn12 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0332","0.0297","","","0.0793","0.0816","","","","","","1.05","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214228","12.354","0.003","12.473","0.003","10.449","0.002","90","","116.92","0.03","90","","1435.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N12 O2 Zn2 -","- C10 H8 N12 O2 Zn2 -","- C40 H32 N48 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0542","","","","","","1.07","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214229","18.923","0.004","11.121","0.002","15.759","0.003","90","","102.62","0.03","90","","3236.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H18 N16 O10 Zn5 -","- C22 H18 N16 O10 Zn5 -","- C88 H72 N64 O40 Zn20 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0505","0.0431","","","0.107","0.1105","","","","","","1.077","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214230","9.9688","0.0005","12.4158","0.0006","17.4099","0.001","86.1612","0.0015","79.7348","0.0018","80.1653","0.0015","2087.7","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 I4 O4 S4 -","- C36 H36 I4 O4 S4 -","- C72 H72 I8 O8 S8 -","2","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0287","","","","0.0788","","","","","","1.097","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214231","18.4313","0.0009","14.2656","0.0005","17.855","0.0006","90","","92.4043","0.001","90","","4690.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 I4 O5 S4 -","- C42 H48 I4 O5 S4 -","- C168 H192 I16 O20 S16 -","4","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0351","","","","0.086","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214232","6.4633","0.0015","17.072","0.004","23.816","0.006","90","","90.602","0.003","90","","2627.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Eu N3 O9 -","- C23 H28 Eu N3 O9 -","- C92 H112 Eu4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0721","0.052","","","0.1269","0.1345","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214233","6.4399","0.0007","17.023","0.002","23.833","0.003","90","","90.792","0.002","90","","2612.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Gd N3 O9 -","- C23 H28 Gd N3 O9 -","- C92 H112 Gd4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0925","0.0564","","","0.1395","0.1526","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214234","6.3462","0.0011","16.58","0.003","24.018","0.004","90","","90.683","0.002","90","","2527","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Dy N3 O9 -","- C23 H28 Dy N3 O9 -","- C92 H112 Dy4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0714","0.0599","","","0.1512","0.1566","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214235","11.2908","0.0003","12.2293","0.0003","14.9933","0.0004","90","","91.389","0.002","90","","2069.65","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1022","0.1086","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214236","13.477","0.003","16.515","0.003","19.139","0.004","90","","94.16","0.03","90","","4248.6","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N4 O9 -","- C48 H54 N4 O9 -","- C192 H216 N16 O36 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","","0.71073","MoKα","","0.05","0.0399","","","0.1019","0.1066","","","","","","1.048","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214237","37.1672","0.0011","3.83724","0.0001","30.9227","0.0008","90","","130.277","0.0013","90","","3364.66","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 O2 S2 -","- C21 H14 N2 O2 S2 -","- C168 H112 N16 O16 S16 -","8","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.107","","","","0.2371","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214238","11.7301","0.0002","22.2883","0.0004","7.47946","0.0001","90","","100.438","","90","","1923.1","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 S2 -","- C23 H18 N2 O2 S2 -","- C92 H72 N8 O8 S8 -","4","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.0731","","","","0.1563","","","","","","1.094","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214239","29.401","0.003","13.3519","0.0011","15.8465","0.0013","90","","90.878","0.002","90","","6220","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cd3 N8 O12 -","- C46 H44 Cd3 N8 O12 -","- C184 H176 Cd12 N32 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.0795","0.0642","","","0.1888","0.2003","","","","","","1.048","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214240","13.9345","0.0014","26.096","0.003","19.2265","0.0019","90","","90","","90","","6991.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H40 Co3 N4 O12 -","- C53 H40 Co3 N4 O12 -","- C212 H160 Co12 N16 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.118","0.0752","","","0.216","0.2365","","","","","","0.962","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214241","20.897","0.007","16.915","0.003","21.778","0.005","90","","106.437","0.011","90","","7383","3","108","2","108","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.64 H69.28 Au2 Cl5.28 N2 O8 P4 -","- C80.642 H69.284 Au2 Cl5.284 N2 O8 P4 -","- C322.568 H277.136 Au8 Cl21.136 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.043","0.0384","","","0.097","0.0998","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214242","28.247","0.005","18.297","0.004","18.992","0.004","90","","121.566","0.008","90","","8363","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82.69 H73.38 Au2 Cl9.38 N2 O8 P4 -","- C82.692 H73.384 Au2 Cl9.384 N2 O8 P4 -","- C330.768 H293.536 Au8 Cl37.536 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0617","0.079","","","","","","0.718","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214243","11.7728","0.0001","33.8466","0.0003","18.4668","0.0002","90","","96.231","0.001","90","","7314.98","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.9 H68.97 Au2 Cl3.8 N2 O8.59 P4 -","- C79.9 H68.974 Au2 Cl3.8 N2 O8.587 P4 -","- C319.6 H275.896 Au8 Cl15.2 N8 O34.348 P16 -","4","1","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0433","0.0375","","","0.0941","0.0971","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214244","21.374","0.005","16.82","0.005","22.25","0.005","90","","107.595","0.005","90","","7625","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.26 H68.53 Au2 Cl4.53 N2 O8 P4 -","- C80.264 H68.528 Au2 Cl4.528 N2 O8 P4 -","- C321.056 H274.112 Au8 Cl18.112 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0539","0.0393","","","0.0603","0.0687","","","","","","0.872","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214245","23.423","0.004","11.2363","0.0019","22.563","0.004","90","","90","","90","","5938.3","1.8","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C27 H29.5 N2 Ni O9.75 -","- C27 H28.5 N2 Ni O9.75 -","- C216 H228 N16 Ni8 O78 -","8","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1228","0.0589","","","0.1516","0.1673","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214246","14.079","0.005","14.669","0.005","19.559","0.006","108.878","0.005","92.031","0.007","116.314","0.005","3349","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H56.58 Co2 N12 O14.29 S3 -","- C70 H52 Co2 N12 O14.29 S3 -","- C140 H104 Co4 N24 O28.58 S6 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.2876","0.0594","","","0.0645","0.0823","","","","","","0.64","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214247","9.6092","0.0009","10.695","0.0011","13.436","0.0014","70.763","0.002","87.595","0.002","72.381","0.002","1240","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co N2 O8 -","- C27 H26 Co N2 O8 -","- C54 H52 Co2 N4 O16 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.0702","0.0447","","","0.1104","0.1165","","","","","","0.956","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214248","13.0721","0.0008","8.1857","0.0004","21.867","0.003","90","","107.835","0.008","90","","2227.4","0.4","119.6","0.9","119.6","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Co2 N2 O12 -","- C48 H44 Co2 N2 O12 -","- C96 H88 Co4 N4 O24 -","2","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1537","0.0747","","","0.1255","0.1658","","","","","","1.032","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214249","13.5187","0.0007","7.2436","0.0004","26.014","0.003","90","","90","","90","","2547.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C120 H80 N16 O32 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.1201","0.0779","","","0.1443","0.1613","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214250","22.3598","0.0007","15.1429","0.0004","23.0395","0.0007","90","","110.657","0.004","90","","7299.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H24.5 N4 O9.25 Zn -","- C32 H22 N4 O8.5 Zn -","- C256 H176 N32 O68 Zn8 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0744","0.0578","","","0.1737","0.1867","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214251","9.151","0.0003","12.4798","0.0004","12.9559","0.0003","107.884","0.002","90.393","0.002","95.349","0.002","1400.99","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","1","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0673","0.0426","","","0.1003","0.1332","","","","","","1.074","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214252","19.2567","0.0015","18.6939","0.0015","7.902","0.0006","90","","98.917","0.003","90","","2810.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N4 O8.5 Zn -","- C30 H18 N4 O8.5 Zn -","- C120 H72 N16 O34 Zn4 -","4","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0523","0.046","","","0.1316","0.1369","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214253","15.146","0.003","13.695","0.003","6.9265","0.0014","90","","91.28","0.03","90","","1436.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cd Cl N2 O4 -","- C15 H9 Cd Cl N2 O4 -","- C60 H36 Cd4 Cl4 N8 O16 -","4","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.076","0.0621","","","0.1969","0.2167","","","","","","1.182","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214254","6.7987","0.0008","24.5045","0.0019","8.2871","0.001","90","","91.514","0.011","90","","1380.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd N4 O10 -","- C30 H22 Cd N4 O10 -","- C60 H44 Cd2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0734","0.0595","","","0.0942","0.098","","","","","","1.33","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214255","3.694","0.004","8.184","0.009","23.62","0.03","90","","94.49","","90","","711.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cd Cl2 N10 O0 -","- C10 H10 Cd Cl2 N10 -","- C20 H20 Cd2 Cl4 N20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.2346","0.1511","","","0.4242","0.4467","","","","","","1.057","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214256","9.156","0.0012","12.1449","0.0016","14.1202","0.0019","90","","95.271","0.002","90","","1563.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cd3 N10 O10 -","- C22 H32 Cd3 N10 O10 -","- C44 H64 Cd6 N20 O20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.0467","0.0294","","","0.0726","0.0817","","","","","","0.487","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214257","14.857","0.005","23.615","0.009","3.7317","0.0013","90","","90","","90","","1309.3","0.8","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C10 H8 Cd4 Cl7 N10 -","- C10 H8 Cd4 Cl7 N10 -","- C20 H16 Cd8 Cl14 N20 -","2","0.25","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.1518","0.0918","","","0.2457","0.2693","","","","","","0.854","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214258","13.4907","0.0014","13.505","0.0014","13.7924","0.0014","102.084","0.002","97.561","0.002","116.001","0.002","2136","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0582","0.0464","","","0.1283","0.1381","","","","","","1.003","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214259","12.337","0.002","11.051","0.002","21.819","0.004","90","","100.761","0.004","90","","2922.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Co2 N4 O8 -","- C29 H24 Co2 N4 O8 -","- C116 H96 Co8 N16 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0811","0.047","","","0.0971","0.1138","","","","","","1.001","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214260","8.9151","0.001","12.3303","0.0013","13.3052","0.0014","108.564","0.002","107.76","0.002","99.002","0.002","1267.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O7 Zn -","- C29 H22 N4 O7 Zn -","- C58 H44 N8 O14 Zn2 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0574","0.045","","","0.1228","0.1378","","","","","","0.997","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214261","11.7332","0.0004","15.2259","0.0006","16.1433","0.0006","90","","102.497","0.001","90","","2815.65","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H49 Co2 N8 O14 -","- C67 H49 Co2 N8 O14 -","- C134 H98 Co4 N16 O28 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0519","0.0452","","","0.1183","0.1237","","","","","","1.002","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214262","12.15","0.003","13.422","0.003","17.825","0.004","77.205","0.004","70.985","0.004","83.344","0.004","2677","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.1185","0.069","","","0.1102","0.1581","","","","","","1","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214263","38.1168","0.0009","38.1168","0.0009","11.6852","0.0003","90","","90","","120","","14702.8","0.6","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C171 H154 Br12 Cl12 N18 O13 Zn6 -","- C171 H137.94 Br12 Cl12.06 N18 O12.96 Zn6 -","- C513 H413.82 Br36 Cl36.18 N54 O38.88 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0454","0.0333","","","0.0902","0.102","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214264","38.975","0.002","38.975","0.002","11.4827","0.0008","90","","90","","120","","15105.9","1.5","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C189 H159 Br12 Cl9 N18 O15 Zn6 -","- C189 H129 Br12 Cl9 N18 O15 Zn6 -","- C567 H387 Br36 Cl27 N54 O45 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0703","0.0425","","","0.1267","0.1717","","","","","","1.111","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214265","38.4322","0.0016","38.4322","0.0016","22.545","0.001","90","","90","","120","","28838","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C438 H308 Cl24 N36 O22 Zn12 -","- C437.94 H275.76 Cl24 N36 O21.9 Zn12 -","- C1313.82 H827.28 Cl72 N108 O65.7 Zn36 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.086","0.0638","","","0.1735","0.2072","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214266","37.998","0.004","37.998","0.004","11.3178","0.0011","90","","90","","120","","14152","3","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H111 Cl21 F30 N18 O9 Zn6 -","- C168 H99 Cl21 F30 N18 O9 Zn6 -","- C504 H297 Cl63 F90 N54 O27 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.0626","0.0613","","","0.181","0.1826","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214267","9.2722","0.0004","35.4234","0.0015","30.2123","0.0012","90","","95.305","0.002","90","","9880.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C162 H84 Cl12 F30 N18 Zn6 -","- C162 H84 Cl12 F30 N18 Zn6 -","- C324 H168 Cl24 F60 N36 Zn12 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.124","0.1069","","","0.3013","0.3169","","","","","","1.089","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214268","38.394","0.004","38.394","0.004","11.5576","0.0015","90","","90","","120","","14755","3","123","2","123","2","","","","","","","","6","R -3","-R 3","148","","","","- C162 H84 Br12 F30 N18 Zn6 -","- C162 H84 Br12 F30 N18 Zn6 -","- C486 H252 Br36 F90 N54 Zn18 -","3","","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.1008","0.0769","","","0.1903","0.2024","","","","","","1.116","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214269","8.2122","0.0007","9.0548","0.0005","11.4228","0.0007","93.672","0.005","110.255","0.007","108.406","0.006","741.63","0.1","148","2","148","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0568","0.0435","","","0.1032","0.1123","","","","","","1.027","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214270","8.2145","0.0007","9.0601","0.0006","11.4225","0.0008","93.69","0.006","110.215","0.007","108.361","0.007","742.68","0.11","178","2","178","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0615","0.045","","","0.1076","0.1174","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214271","8.2268","0.0007","9.0703","0.0006","11.4426","0.0008","93.691","0.005","110.218","0.007","108.335","0.006","746.06","0.11","208","2","208","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0645","0.0461","","","0.1105","0.1221","","","","","","1.032","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214272","8.2384","0.0008","9.095","0.0006","11.46","0.0008","93.7","0.006","110.161","0.008","108.267","0.007","750.96","0.12","238","2","238","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0709","0.0483","","","0.1131","0.1282","","","","","","1.023","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214273","8.2565","0.0008","9.1147","0.0006","11.4695","0.0008","93.722","0.005","110.153","0.008","108.221","0.007","755.1","0.12","268","2","268","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0746","0.0488","","","0.1156","0.1322","","","","","","1.031","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214274","8.2504","0.0009","9.1159","0.0007","11.4622","0.0009","93.8","0.007","110.087","0.009","108.151","0.009","754.71","0.14","298","2","298","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0799","0.0516","","","0.1228","0.142","","","","","","1.042","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214275","17.967","0.0012","7.9756","0.0006","14.0251","0.0008","90","","133.571","0.004","90","","1456.12","0.19","148","2","148","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0616","0.0426","","","0.1009","0.1115","","","","","","1.041","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214276","17.9037","0.0014","8.0121","0.0008","14.0696","0.0009","90","","133.44","0.004","90","","1465.4","0.2","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0755","0.0497","","","0.1302","0.1451","","","","","","1.051","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214277","17.8536","0.0016","8.07","0.0006","14.1329","0.0011","90","","133.271","0.005","90","","1482.6","0.2","208","2","208","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0859","0.053","","","0.1222","0.1393","","","","","","1.035","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214278","17.7463","0.0014","8.093","0.0007","14.1825","0.0009","90","","133.117","0.004","90","","1486.9","0.2","238","2","238","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1075","0.0584","","","0.1361","0.1662","","","","","","1.021","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214279","17.6512","0.0018","8.1468","0.0005","14.2338","0.001","90","","132.931","0.006","90","","1498.6","0.3","268","2","268","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.111","0.0544","","","0.1109","0.1361","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214280","17.5602","0.0017","8.1816","0.0006","14.282","0.001","90","","132.8","0.005","90","","1505.5","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1104","0.0563","","","0.1335","0.1663","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214281","17.416","0.004","11.358","0.002","13.74","0.003","90","","92.41","0.03","90","","2715.5","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-ethylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","0.5","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0508","0.0401","","","0.0969","0.1041","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214282","9.5427","0.0019","12.417","0.003","15.396","0.003","81.62","0.03","79.45","0.03","75.37","0.03","1725.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0661","0.0449","","","0.1107","0.124","","","","","","1.042","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214283","11.8142","0.0013","12.3251","0.0014","13.3363","0.0015","64.614","0.002","86.613","0.002","83.622","0.002","1743.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0864","0.0499","","","0.1206","0.1395","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214284","14.254","0.003","14.9","0.003","15.067","0.003","100.82","0.03","117.76","0.03","104.12","0.03","2571.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H81 N5 O7 -","- C53 H81 N5 O7 -","- C106 H162 N10 O14 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0787","0.0605","","","0.1684","0.1829","","","","","","1.037","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214285","13.97","0.003","19.964","0.004","15.127","0.003","90","","97.88","0.03","90","","4179","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium-1,1'-binaphthyl-2,2'-dicarboxylate methanol hydrate","","- C47 H66 N2 O6 -","- C47 H66 N2 O6 -","- C188 H264 N8 O24 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0731","0.044","","","0.1108","0.1259","","","","","","1.028","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214286","11.2481","0.0012","13.1877","0.0014","18.235","0.002","90","","105.738","0.002","90","","2603.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15.1 H33.38 Al4 Na3 O15.1 -","- C15.095 H33.38 Al4 Na3 O15.095 -","- C60.38 H133.52 Al16 Na12 O60.38 -","4","1","","Li, Xiansen; Michaelis, Vladimir K.; Ong, Ta-Chung; Smith, Stacey J.; McKay, Ian; Müller, Peter; Griffin, Robert G.; Wang, Evelyn N.","One-pot Solvothermal Synthesis of Well-ordered Layered Sodium Aluminoalcoholate Complex: A Useful Precursor for the Preparation of Porous Al2O3 Particles.","CrystEngComm / RSC","2014","16","14","2950","2958","10.1039/C3CE42616E","","","0.71073","MoKα","","0.0633","0.0405","","","0.0994","0.111","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214287","7.114","0.005","17.602","0.013","8.188","0.006","90","","110.666","0.012","90","","959.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Br N2 O2 -","- C7 H11 Br N2 O2 -","- C28 H44 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0642","0.0436","","","0.1042","0.1134","","","","","","1.009","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214288","7.092","0.002","11.93","0.003","14.419","0.004","90","","109.603","0.012","90","","1149.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F6 N2 O2 P -","- C7 H11 F6 N2 O2 P -","- C28 H44 F24 N8 O8 P4 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0672","0.0412","","","0.0869","0.0992","","","","","","1.007","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214289","8.264","0.005","15.703","0.01","21.517","0.011","90","","111.29","0.019","90","","2602","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 F6 N2 O2 P -","- C8 H13 F6 N2 O2 P -","- C64 H104 F48 N16 O16 P8 -","8","2","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.2021","0.1652","","","0.3331","0.3456","","","","","","1.088","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214290","9.898","0.005","16.937","0.008","12.581","0.005","90","","127.51","0.03","90","","1673","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 F6 N3 O6 S2 -","- C9 H11 F6 N3 O6 S2 -","- C36 H44 F24 N12 O24 S8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0579","0.0447","","","0.106","0.1143","","","","","","1.004","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214291","7.836","0.003","4.821","0.0018","28.599","0.011","90","","100.732","0.01","90","","1061.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N2 O2 -","- C8 H13 Br N2 O2 -","- C32 H52 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0425","0.0336","","","0.0838","0.088","","","","","","1.017","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214292","13.445","0.006","6.382","0.003","9.727","0.005","90","","90","","90","","834.6","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0348","0.0287","","","0.068","0.0713","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214293","15.4579","0.0016","19.1439","0.0017","17.109","0.001","90","","105.241","0.006","90","","4884.9","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 O29 U4 -","- C30 H51 O29 U4 -","- C120 H204 O116 U16 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1108","0.0714","","","0.1705","0.1863","","","","","","1.022","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214294","21.3657","0.0007","21.3657","0.0007","38.4108","0.0014","90","","90","","120","","15185.1","0.9","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H194 K8 O77 U8 -","- C120 H168 K8.01 O77 U8 -","- C360 H504 K24.03 O231 U24 -","3","0.333333","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0961","0.063","","","0.1569","0.1692","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214295","9.2051","0.0002","19.3999","0.0003","10.3663","0.0002","90","","97.9411","0.0007","90","","1833.44","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 U -","- C15 H23 N O7 U -","- C60 H92 N4 O28 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0408","0.0379","","","0.0992","0.1009","","","","","","1.039","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214296","19.5109","0.0015","18.82","0.001","13.9091","0.0011","90","","109.813","0.004","90","","4805","0.6","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H60 Cu N2 O18 U2 -","- C40 H60 Cu N2 O18 U2 -","- C160 H240 Cu4 N8 O72 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1013","0.0678","","","0.1787","0.1941","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214297","7.3053","0.0007","17.5056","0.0014","12.6731","0.0012","90","","90","","90","","1620.7","0.3","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 O5 S Zn -","- C19 H17 O5 S Zn -","- C76 H68 O20 S4 Zn4 -","4","0.5","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0578","0.0366","","","0.0894","0.0996","","","","","","1.09","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214298","6.7778","0.0007","18.8206","0.0018","8.5384","0.0008","90","","92.471","0.004","90","","1088.16","0.18","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu O9 -","- C9 H10 Cu O9 -","- C36 H40 Cu4 O36 -","4","1","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0196","0.0194","","","0.0526","0.0526","","","","","","1.112","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214299","22.463","0.004","10.3101","0.0019","17.114","0.003","90","","90.427","0.002","90","","3963.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N10 O4 Zn -","- C42 H40 Cu2 N10 O4 Zn -","- C168 H160 Cu8 N40 O16 Zn4 -","4","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.052","0.0328","","","0.0724","0.0803","","","","","","1.017","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214300","16.3579","0.0015","10.7877","0.001","21.928","0.002","90","","107.132","0.001","90","","3697.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C152 H128 Cu8 N40 O16 Zn4 -","4","1","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0737","0.0379","","","0.0699","0.0814","","","","","","1.008","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214301","11.44","0.002","11.44","0.002","24.485","0.004","90","","90","","120","","2775.1","0.8","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C114 H96 Cu6 N30 O12 Zn3 -","3","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0484","0.0368","","","0.0832","0.0911","","","","","","0.945","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214302","13.585","0.004","12.926","0.004","16.012","0.005","90","","90","","90","","2811.7","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.077","0.069","","","0.1744","0.1833","","","","","","0.956","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214303","12.659","0.004","16.121","0.005","13.197","0.004","90","","91.231","0.004","90","","2692.6","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","2","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0969","0.0883","","","0.2124","0.2178","","","","","","1.061","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214304","13.3098","0.0012","12.7949","0.0012","16.0119","0.0015","90","","90","","90","","2726.8","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0615","0.056","","","0.1493","0.1537","","","","","","1.243","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214312","39.4134","0.0004","39.4134","0.0004","10.4024","0.0002","90","","90","","120","","13994.3","0.3","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","- C576 H540 N36 O144 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0666","0.0496","","","0.1357","0.1517","","","","","","0.995","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214313","39.3244","0.0003","39.3244","0.0003","10.4186","0.0002","90","","90","","120","","13952.9","0.3","103","2","103","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H32 N2 O8.34 -","- C33 H30 N2 O8.34 -","- C594 H540 N36 O150.12 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.093","0.0531","","","0.1258","0.1462","","","","","","1.041","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214314","16.1514","0.0005","16.4165","0.0005","24.4814","0.0008","90","","90","","90","","6491.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 Cl3 N2 O8 -","- C33 H31 Cl3 N2 O8 -","- C264 H248 Cl24 N16 O64 -","8","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0837","0.0678","","","0.196","0.215","","","","","","1.284","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214315","14.8361","0.0005","36.0691","0.0012","23.6851","0.0009","90","","101.903","0.001","90","","12402","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H95 Ce3 N5 O89 S8 -","- C84 H95 Ce3 N5 O89 S8 -","- C336 H380 Ce12 N20 O356 S32 -","4","1","","Husain, Ahmad; Oliver, Clive L.","A C-shaped p-sulfonatocalix[4]arene-based supermolecule exhibiting mutual-inclusion and bilayer insertion of dipicolinate","CrystEngComm","2014","16","18","3749","","10.1039/c3ce42358a","","","0.71073","MoKα","","0.0689","0.0496","","","0.1181","0.1282","","","","","","1.028","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214316","14.6699","0.0008","13.9019","0.0008","27.0087","0.0015","90","","102.838","0.003","90","","5370.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H67 Cl4 N5 O4 -","- C51 H55 Cl4 N5 O4 -","- C204 H220 Cl16 N20 O16 -","4","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","1.54178","CuKα","","0.1023","0.0891","","","0.2627","0.2771","","","","","","1.059","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214317","24.0752","0.0018","9.9609","0.0007","45.509","0.003","90","","90","","90","","10913.5","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H62 N5 O5 -","- C50 H55 N5 O5 -","- C400 H440 N40 O40 -","8","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","0.71073","MoKα","","0.1058","0.0636","","","0.1759","0.2","","","","","","1.01","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214318","10.899","0.003","10.055","0.003","27.255","0.007","90","","90","","90","","2986.9","1.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Tedesco, Consiglia; Erra, Loredana; Izzo, Irene; De Riccardis, Francesco","Solid state assembly of cyclic α-peptoids","CrystEngComm","2014","16","18","3667","","10.1039/c3ce42456a","","","1.54178","CuKα","","0.073","0.0586","","","0.172","0.2208","","","","","","1.029","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214319","11.612","0.0002","14.5363","0.0002","27.401","0.0004","90","","101.019","0.0014","90","","4539.9","0.12","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 N2 O9 -","- C49 H74 N2 O9 -","- C196 H296 N8 O36 -","4","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.0451","0.0383","","","0.098","0.1033","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214320","11.0544","0.0005","11.9545","0.0005","17.4371","0.0009","109.915","0.004","100.321","0.004","97.585","0.004","2084.53","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H61 N3 O8 -","- C45 H61 N3 O8 -","- C90 H122 N6 O16 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.066","0.0502","","","0.1449","0.1581","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214321","11.7076","0.0005","14.7176","0.0006","15.4943","0.0006","107.092","0.002","94.407","0.002","110.946","0.002","2333.23","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H73 N3 O9 -","- C50 H73 N3 O9 -","- C100 H146 N6 O18 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","0.71073","MoKα","","0.1043","0.0707","","","0.1485","0.166","","","","","","1.091","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214322","8.1302","0.0002","11.0677","0.0004","17.3238","0.0007","90","","95.2468","0.0012","90","","1552.31","0.09","150","","150","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br2 Cl2 N4 O2 -","- C28 H36 Br2 Cl2 N4 O2 -","- C56 H72 Br4 Cl4 N8 O4 -","2","0.5","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.047","0.0379","","0.0863","0.0809","0.0863","","","","","","0.9195","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214323","8.709","0.0001","8.9799","0.0001","26.0376","0.0003","89.5146","0.0004","84.863","0.0004","85.5213","0.0005","2021.92","0.04","150","","150","","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C32 H46 Br2 I2 N4 O3 S3 -","- C32 H46 Br2 I2 N4 O3 S3 -","- C64 H92 Br4 I4 N8 O6 S6 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0529","0.0427","","0.1121","0.1023","0.1121","","","","","","0.9631","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214324","8.7552","0.0002","9.1778","0.0002","19.3962","0.0005","100.835","0.001","95.9931","0.001","95.4914","0.0011","1511.75","0.06","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H31 Br2 N6 O7.5 -","- C26 H31 Br2 N6 O7.5 -","- C52 H62 Br4 N12 O15 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0994","0.0658","","0.2173","0.1669","0.2173","","","","","","0.9691","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214325","27.1683","0.0011","15.3846","0.0005","19.2713","0.0009","90","","98.162","0.002","90","","7973.3","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Br2 Cd Cl12 N4 O4 S4 -","- C68 H70 Br2 Cd Cl12 N4 O4 S4 -","- C272 H280 Br8 Cd4 Cl48 N16 O16 S16 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1103","0.0811","","","0.2313","0.2548","","","","","","1.051","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214326","13.9112","0.0002","14.48","0.0003","20.85","0.0004","74.732","0.001","82.404","0.001","66.777","0.001","3721.48","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C132 H140 Br4 Cd2 Cl12 N8 S16 -","2","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0847","0.0432","","","0.1015","0.1181","","","","","","1.004","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214327","28.197","0.0008","15.6401","0.0004","15.4989","0.0004","90","","100.242","0.002","90","","6726.2","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C130 H146 Br2 Co N8 O3 S16 -","- C130 H144 Br2 Co N8 O3 S16 -","- C260 H288 Br4 Co2 N16 O6 S32 -","2","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1023","0.0604","","","0.1504","0.1736","","","","","","1.033","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214328","11.4791","0.0004","14.2338","0.0004","21.6211","0.0005","87.817","0.001","81.183","0.001","66.381","0.001","3197.45","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","1","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0607","0.0486","","","0.1368","0.148","","","","","","1.033","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214329","9.4199","0.0003","12.6344","0.0004","20.5258","0.0005","90","","90","","90","","2442.87","0.12","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 N13 O12 Pb2 -","- C15 H9 N13 O12 Pb2 -","- C60 H36 N52 O48 Pb8 -","4","0.5","","Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2","CrystEngComm","2014","16","17","3466","","10.1039/c4ce00009a","","","0.71073","MoKα","","0.0326","0.0267","","","0.0665","0.0698","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214330","10.4811","0.0004","14.5008","0.0005","21.9334","0.0008","90","","90","","90","","3333.5","0.2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C36 H84 Cl4 Mg2 N24 O36 -","- C36 H36 Cl4 Mg2 N24 O35.6636 -","- C72 H72 Cl8 Mg4 N48 O71.3272 -","2","0.25","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","1.5418","CuKα","","0.1037","0.0878","","","0.2471","0.2644","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214331","10.915","0.0002","12.4577","0.0002","13.8264","0.0002","106.243","0.001","94.7355","0.001","113.72","0.001","1611.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H80 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0472","0.0433","","","0.1118","0.1145","","","","","","1.047","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214332","12.4536","0.0002","12.4913","0.0002","13.0575","0.0002","110.575","0.001","102.185","0.001","98.7109","0.001","1801.45","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0516","0.0435","","","0.0958","0.1026","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214333","12.2773","0.0009","28.901","0.002","15.635","0.0012","90","","93.101","0.002","90","","5539.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5","","","- C58.5 H66 N8 O14.5 -","- C58.5 H65.5 N8 O14.5 -","- C234 H262 N32 O58 -","4","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","Synchrotron","","0.0763","0.0505","","","0.1342","0.1524","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214334","16.5671","0.0014","19.7029","0.0017","20.3946","0.0018","87.763","0.004","84.24","0.004","77.864","0.003","6474.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","methanolpropoxy","","","- C130.65 H167.3 N16 O34 -","- C130.65 H150 N16 O33.5 -","- C261.3 H300 N32 O67 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.71073","MoKα","","0.1023","0.0809","","","0.2388","0.2542","","","","","","1.893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214335","13.1086","0.0004","38.2571","0.0017","12.9509","0.0006","90","","99.22","0.002","90","","6410.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methanolbutoxy","","","- C68 H80 N8 O12 -","- C68 H80 N8 O12 -","- C272 H320 N32 O48 -","4","0.5","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","synchrotron","","0.2628","0.1289","","","0.2471","0.3001","","","","","","1.389","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214336","16.3018","0.0005","8.6598","0.0002","13.566","0.0004","90","","112.177","0.004","90","","1773.44","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl2 N6 Ni O8 -","- C10 H26 Cl2 N6 Ni O8 -","- C40 H104 Cl8 N24 Ni4 O32 -","4","1","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.0513","0.0362","","","0.0887","0.0957","","","","","","0.992","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214337","12.9588","0.0004","15.3239","0.0005","24.3358","0.0009","78.225","0.003","84.909","0.003","70.031","0.003","4445.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","1","0.5","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.1063","0.0766","","","0.2038","0.2337","","","","","","0.999","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214338","13.344","0.0008","11.0423","0.0007","14.6607","0.0009","90","","90.571","0.003","90","","2160.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N6 O2 -","- C52 H56 N6 O2 -","- C104 H112 N12 O4 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0447","0.0393","","","0.1046","0.1096","","","","","","1.034","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214339","20.6102","0.0011","11.5999","0.0006","23.8198","0.0012","90","","90.978","0.003","90","","5693.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N6 O6 Zn2 -","- C52 H56 Cl4 N6 O6 Zn2 -","- C208 H224 Cl16 N24 O24 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0616","0.0591","","","0.1643","0.1659","","","","","","1.192","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214340","44.86","0.004","15.1635","0.0014","15.6748","0.0014","90","","97.55","0.004","90","","10570.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Dinitro{(±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}]gadolinium(III) dimethylformamide","","- C45 H46 Gd N7 O19 -","- C45 H46 Gd N7 O19 -","- C360 H368 Gd8 N56 O152 -","8","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.1437","0.0698","","","0.1808","0.2194","","","","","","1.005","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214341","12.7326","0.0012","16.1047","0.0013","19.7002","0.0017","103.648","0.002","91.582","0.003","94.159","0.003","3911","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Chlorotrisdimethylformamide{(±)-2,7,12-trimethoxy- 3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}samarium(III) pentachlorodimethylformamidesamariumate(III) dimethylformamide","","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C123 H157 Cl12 N19 O37 Sm4 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.0773","0.0504","","","0.1334","0.1494","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214342","14.2284","0.001","14.7501","0.0011","16.4083","0.0012","76.082","0.004","70.013","0.003","61.718","0.003","2837","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[Aquodimethylformamide{(±)-2,7,12-Trimethoxy-3,8,13-tris(4- phenylcarboxylic acid methoxy)-10,15-dihydro-5H- tribenzo[a,d,g] cyclononatriene}europium(III) dimethylformamide hydrate","","- C55.5 H60.5 Eu N2.5 O16.5 -","- C55.5 H56.5 Eu N2.5 O16.5 -","- C111 H113 Eu2 N5 O33 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.073","0.0701","","","0.1929","0.1947","","","","","","1.166","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214343","9.1779","0.0004","23.8787","0.0013","7.9118","0.0004","90","","91.095","0.002","90","","1733.6","0.15","123","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N8 -","- C40 H40 N8 -","- C80 H80 N16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.0869","0.0538","","","0.1085","0.1228","","","","","","1.036","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214344","21.933","0.004","8.719","0.0017","20.64","0.004","90","","101.83","0.03","90","","3863.2","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl2 N4 O10 -","- C40 H50 Cl2 N4 O10 -","- C160 H200 Cl8 N16 O40 -","4","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.056","0.0532","","","0.1346","0.1374","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214345","9.362","0.0019","15.871","0.003","25.586","0.005","90","","96.64","0.03","90","","3776.2","1.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H80 Ag2 Cl2 N16 O8 -","- C80 H80 Ag2 Cl2 N16 O8 -","- C160 H160 Ag4 Cl4 N32 O16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0476","0.0403","","","0.1088","0.1136","","","","","","1.032","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214346","16.298","0.002","16.298","0.002","30.945","0.006","90","","90","","90","","8220","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 N8 Ni3 O16 -","- C80 H88 Cl6 N8 Ni3 O16 -","- C320 H352 Cl24 N32 Ni12 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.073","0.0651","","","0.1798","0.1867","","","","","","1.11","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214347","16.353","0.002","16.353","0.002","30.894","0.006","90","","90","","90","","8262","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 Co3 N8 O16 -","- C80 H88 Cl6 Co3 N8 O16 -","- C320 H352 Cl24 Co12 N32 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0876","0.0782","","","0.2101","0.2185","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214348","35.258","0.005","8.7597","0.0015","29.409","0.004","90","","90","","90","","9083","2","123","2","123","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C84 H106 Cl6 Cu5 N8 O23 -","- C84 H96 Cl6 Cu5 N8 O22.96 -","- C336 H384 Cl24 Cu20 N32 O91.84 -","4","0.25","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.1302","0.0754","","","0.1963","0.2311","","","","","","1.032","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214349","7.4198","0.0001","9.8609","0.0001","14.6526","0.0002","90","","90.3167","0.0005","90","","1072.05","0.02","150","","150","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C52 H48 Fe4 N8 -","4","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.0656","0.0358","","0.1085","0.0792","0.1085","","","","","","1.0157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214350","12.2315","0.0001","12.4402","0.0002","14.9115","0.0002","95.1399","0.0005","101.642","0.0006","117.665","0.0007","1923.8","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C43 H42 Fe2 I2 N4 O -","- C43 H42 Fe2 I2 N4 O -","- C86 H84 Fe4 I4 N8 O2 -","2","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.036","0.0267","","0.075","0.0656","0.075","","","","","","0.8707","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214351","14.943","0.0006","17.0436","0.0007","26.1853","0.0011","101.948","0.002","97.566","0.002","111.014","0.002","5933.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CVT-53-B2 bromo pentyl ethylene cavitand","","- C122 H151 Br8 N5 O16 -","- C122 H151 Br8 N5 O16 -","- C244 H302 Br16 N10 O32 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0843","0.0906","","","","","","0.989","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214352","12.7536","0.0006","13.7525","0.0007","24.5901","0.0012","105.279","0.002","95.784","0.002","102.12","0.002","4011.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CJ-1 ethano 3-pyridyl CVT, (ethanol)9","","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.1515","0.0963","","","0.2796","0.3349","","","","","","1.038","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214353","13.321","0.0009","52.697","0.004","16.3401","0.0011","90","","109.773","0.003","90","","10794.1","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P-1-5 [tetra(3-pyridyl) CVT]2, (4-NO2-PhCOOH)8 (PhNO2)5 (H2 O)2","","- C238 H237 N21 O60 -","- C238 H237 N21 O60 -","- C476 H474 N42 O120 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","1.54178","CuKα","","0.0755","0.0629","","","0.1685","0.1806","","","","","","1.056","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214354","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C148.7 H226.7 N8.7 O42.1 -","- C149.17 H225.31 N8.68 O42.27 -","- C596.68 H901.24 N34.72 O169.08 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.1037","0.0995","","","0.2487","0.2519","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214355","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","148","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133.5 H197 N8 O37.5 -","- C133.5 H197 N8 O37.5 -","- C534 H788 N32 O150 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.0815","0.0757","","","0.1964","0.201","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214356","22.0457","0.0007","22.4594","0.0007","23.5621","0.0008","65.687","0.002","82.024","0.002","74.965","0.002","10261","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C436 H556 Cu24 O96 -","- C384 H477 Cu24 O105.5 -","- C384 H477 Cu24 O105.5 -","1","0.5","","Kumari, Harshita; Mossine, Andrew V.; Schuster, Nathaniel J.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Packing arrangements of copper-seamed C-alkylpyrogallol[4]arene nanocapsules with varying chain lengths","CrystEngComm","2014","16","18","3718","","10.1039/c3ce42412j","","","1.54178","CuKα","","0.1057","0.0903","","","0.2578","0.2783","","","","","","1.016","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214357","13.595","0.005","3.71","0.002","24.063","0.009","90","","100.08","0.018","90","","1194.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:sal","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0612","0.0573","","","0.1221","0.1265","","","","","","1.201","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214358","32.561","0.01","5.078","0.002","20.831","0.006","90","","105.811","0.013","90","","3314","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:succ","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0471","0.0422","","","0.096","0.1006","","","","","","0.92","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214359","8.479","0.003","4.979","0.002","19.167","0.007","90","","90.083","0.018","90","","809.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:1 pico:fum","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.051","0.0465","","","0.1055","0.1093","","","","","","1.2","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214360","7.546","0.002","11.745","0.003","10.595","0.003","90","","90.21","0.013","90","","939","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 pico:adi","","","- C9 H11 N2 O3 -","- C9 H11 N2 O3 -","- C36 H44 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0342","0.031","","","0.0824","0.0855","","","","","","1.092","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214361","7.006","0.002","20.51","0.006","9.125","0.003","90","","106.06","0.02","90","","1260","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:adi","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0419","0.0334","","","0.0946","0.1083","","","","","","0.498","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214362","21.95","0.02","5.22","0.007","17.26","0.019","90","","118.86","0.05","90","","1732","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:glu","","","- C8.5 H10 N2 O3 -","- C8.5 H10 N2 O3 -","- C68 H80 N16 O24 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0838","0.0692","","","0.1777","0.1953","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214363","5.287","0.001","11.163","0.002","19.899","0.004","90","","96.704","0.009","90","","1166.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pico form I","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0455","0.0391","","","0.0987","0.1031","","","","","","1.084","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214364","5.39","0.002","9.897","0.003","24.214","0.006","90","","90.699","0.013","90","","1291.6","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 pico:man","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0287","0.0271","","","0.0695","0.0708","","","","","","1.066","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214365","5.166","0.001","7.666","0.002","13.086","0.003","74.73","0.011","81.423","0.012","77.409","0.013","485.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 pico:mal","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C18 H20 N4 O10 -","2","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0335","0.0315","","","0.0859","0.088","","","","","","1.052","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214366","8.161","0.003","19.967","0.006","14.987","0.005","90","","95.599","0.006","90","","2430.5","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0518","0.0424","","","0.0924","0.0976","","","","","","1.028","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214367","8.1092","0.0002","19.7095","0.0007","15.5832","0.0005","90","","93.14","0.002","90","","2486.9","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","1.54178","CuKα","","0.0382","0.035","","","0.09","0.0931","","","","","","1.031","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214368","7.966","0.003","19.688","0.006","15.559","0.005","90","","92.608","0.005","90","","2437.7","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.2761","0.0773","","","0.1141","0.1777","","","","","","0.93","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214369","8.015","0.002","19.658","0.005","15.418","0.004","90","","93.118","0.004","90","","2425.6","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.1287","0.0696","","","0.1238","0.1522","","","","","","0.966","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214370","8.2469","0.0006","20.1562","0.0015","15.1218","0.0011","90","","95.938","0.001","90","","2500.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0773","0.0443","","","0.0964","0.1106","","","","","","1.012","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214371","8.116","0.009","19.78","0.02","15.801","0.018","90","","92.685","0.015","90","","2534","5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.3908","0.0816","","","0.109","0.1962","","","","","","0.904","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214372","19.2271","0.0004","19.2271","0.0004","10.2751","0.0002","90","","90","","120","","3289.61","0.12","298","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C144 H180 N24 O18 -","6","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0379","0.0349","","","0.1059","0.1095","","","","","","0.906","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214373","23.2013","0.0012","11.1503","0.0004","24.7773","0.001","90","","114.561","0.006","90","","5829.9","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 F4 N4 O8 -","- C24 H44 F4 N4 O8 -","- C192 H352 F32 N32 O64 -","8","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.1039","0.078","","","0.2311","0.2563","","","","","","0.98","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214374","12.7399","0.0008","12.7399","0.0008","62.039","0.005","90","","90","","120","","8720.2","1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H34 Cl4 N4 O3 -","- C24 H34 Cl4 N4 O3 -","- C288 H408 Cl48 N48 O36 -","12","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0715","0.0478","","","0.1313","0.1497","","","","","","1.004","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214375","11.4963","0.0006","12.2339","0.0006","13.0811","0.0008","111.373","0.005","113.194","0.005","94.457","0.004","1521.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 Cl4 N4 O5.5 -","- C24 H38 Cl4 N4 O5.5 -","- C48 H76 Cl8 N8 O11 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0682","0.0492","","","0.1656","0.2006","","","","","","0.69","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7214376","12.6464","0.0004","11.5355","0.0004","24.2735","0.0008","90","","104.935","0.002","90","","3421.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Br4 N4 O8 -","- C24 H43 Br4 N4 O8 -","- C96 H172 Br16 N16 O32 -","4","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0545","0.0353","","","0.1029","0.1205","","","","","","0.887","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214377","12.6814","0.0006","13.0383","0.0006","20.9938","0.001","75.377","0.002","87.245","0.002","88.453","0.002","3354.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37.5 I4 N4 O4.75 -","- C24 H36 I4 N4 O4.75 -","- C96 H144 I16 N16 O19 -","4","2","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0965","0.0677","","","0.1751","0.1946","","","","","","1.112","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7214378","13.656","0.007","23.854","0.014","35.19","0.02","107.825","0.009","90.226","0.012","96.903","0.004","10824","10","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C176 H231 N16 O85.5 P12 Zn18 -","- C176 H180 N16 O85.5 P12 Zn18 -","- C352 H360 N32 O171 P24 Zn36 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.1026","0.0811","","","0.19","0.2047","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214379","14.909","0.005","18.496","0.006","21.715","0.007","90","","99.53","0.005","90","","5905","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H124 N12 O40 P6 Zn9 -","- C92 H104 N12 O40 P6 Zn9 -","- C184 H208 N24 O80 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.0513","0.044","","","0.127","0.1351","","","","","","1.133","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214380","8.0715","0.0007","16","0.0015","3.5454","0.0003","90","","101.255","0.001","90","","449.06","0.07","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4.01 O10 Tb0.99 -","- B3 Ca3.954 O10 Tb1.046 -","- B6 Ca7.908 O20 Tb2.092 -","2","0.5","","Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang","Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal","CrystEngComm","2014","16","19","4008","","10.1039/c4ce00051j","","","0.71073","MoKα","","0.0327","0.0305","","","0.0838","0.0792","","","","","","1.468","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214381","8.8213","0.0018","9.1383","0.0018","13.398","0.003","86.62","0.03","89.74","0.03","74.37","0.03","1038.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd N2 O13 S Sm -","- C15 H12 Cd N2 O13 S Sm -","- C30 H24 Cd2 N4 O26 S2 Sm2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0677","0.066","","","0.182","0.1845","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214382","8.6945","0.0017","8.9967","0.0018","13.246","0.003","86.66","0.03","89.75","0.03","74.51","0.03","996.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd Eu N2 O13 S -","- C15 H14 Cd Eu N2 O13 S -","- C30 H28 Cd2 Eu2 N4 O26 S2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0571","0.0471","","","0.1224","0.1345","","","","","","1.101","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214383","9.6399","0.0019","9.924","0.002","22.078","0.004","90","","91.64","0.03","90","","2111.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cd2 Eu N4 O13 -","- C14 H13 Cd2 Eu N4 O13 -","- C56 H52 Cd8 Eu4 N16 O52 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0366","0.0298","","","0.069","0.072","","","","","","0.997","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214384","6.052","0.006","4.919","0.005","36.98","0.03","90","","94.115","0.004","90","","1098","1.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.1193","0.0754","","","0.191","0.2201","","","","","","0.938","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214385","13.654","0.006","7.343","0.003","14.2","0.006","90","","130.054","0.002","90","","1089.8","0.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0416","0.0334","","","0.0922","0.0963","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214386","3.8196","0.001","11.356","0.003","25.246","0.007","90","","93.196","0.001","90","","1093.4","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0706","0.0591","","","0.1298","0.1328","","","","","","0.929","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214387","6.9166","0.0001","8.1526","0.0005","19.4288","0.0011","83.25","0.005","84.511","0.003","71.107","0.003","1027.41","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0588","0.0418","","","0.0941","0.1021","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214388","6.9129","0.0005","8.1497","0.0003","19.4274","0.0009","83.261","0.005","84.544","0.005","71.107","0.004","1026.48","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0468","0.0376","","","0.0912","0.0962","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214389","6.8912","0.0003","8.1537","0.0004","19.392","0.0006","83.68","0.003","84.452","0.004","70.835","0.003","1020.84","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0529","0.0389","","","0.0951","0.1013","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214390","6.8834","0.0005","8.2494","0.0004","19.4622","0.0013","84.137","0.006","84.642","0.006","71.382","0.005","1039.66","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0502","0.039","","","0.0894","0.0948","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214391","6.8792","0.0002","8.2487","0.0004","19.453","0.0012","84.123","0.004","84.581","0.005","71.299","0.003","1037.85","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0378","0.0332","","","0.0851","0.088","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214392","6.872","0.0006","8.2521","0.0004","19.4369","0.0012","84.441","0.004","84.474","0.005","71.056","0.005","1035.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.04","0.033","","","0.0875","0.0909","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214393","6.4428","0.0003","13.612","0.002","11.8759","0.0012","90","","91.722","0.005","90","","1041.04","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-TMBEDT axial","","","- C14 H16 S8 -","- C14 H16 S8 -","- C28 H32 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0733","0.0405","","","0.0926","0.1077","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214394","7.3179","0.0005","7.7876","0.0007","26.499","0.002","85.239","0.003","84.402","0.003","68.304","0.004","1394.67","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","S,S,S,S-TMET.TCNQ (from 1,1,2-trichloroethane)","","- C26 H20 N4 S8 -","- C26 H20 N4 S8 -","- C52 H40 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0541","0.0494","","","0.125","0.1287","","","","","","1.063","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214395","7.318","0.0001","7.8325","0.0001","28.2325","0.0006","94.287","0.001","95.535","0.001","110.993","0.001","1493.34","0.04","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S-TMET.TCNQ.0.5THF","","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0493","0.0403","","","0.0834","0.0882","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214396","8.4889","0.0002","13.7156","0.0002","14.0914","0.0003","110.844","0.001","100.807","0.001","107.048","0.001","1385.53","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S -Tetramethyl-BEDT-TTF.TCNQ-F4 complex","","- C26 H16 F4 N4 S8 -","- C26 H16 F4 N4 S8 -","- C52 H32 F8 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0429","0.0367","","","0.0823","0.087","","","","","","1.02","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214397","13.4068","0.0004","5.1484","0.0001","22.4161","0.0006","90","","101.16","0.001","90","","1517.98","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S,S,S,S Bis(pentane-2,4-dithio)TTF.tetrafluoro-TCNQ","","- C28 H20 F4 N4 S8 -","- C28 H20 F4 N4 S8 -","- C56 H40 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0486","0.0412","","","0.0962","0.1003","","","","","","1.036","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214398","5.6084","0.0004","8.6087","0.0007","27.868","0.002","90","","90.489","0.004","90","","1345.45","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(ethylenedithio)(2S,4S-pentane-2,4-dithio)TTF. tetrafluoro-TCNQ molecular complex","","- C25 H14 F4 N4 S8 -","- C25 H14 F4 N4 S8 -","- C50 H28 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0726","0.0504","","","0.1136","0.1254","","","","","","1.058","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214399","16.397","0.003","18.642","0.003","7.9656","0.0013","90","","90","","90","","2434.9","0.7","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 N4 O12 Zn2 -","- C35 H36 N4 O12 Zn2 -","- C70 H72 N8 O24 Zn4 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0564","0.0528","","","0.1338","0.1366","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214400","15.4019","0.001","15.4019","0.001","8.4768","0.0011","90","","90","","90","","2010.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H48 Cu2 N4 O16 -","- C37 H48 Cu2 N4 O16 -","- C74 H96 Cu4 N8 O32 -","2","0.25","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0941","0.0748","","","0.1689","0.1792","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214401","32.119","0.003","12.8479","0.001","20.8244","0.0016","90","","90","","90","","8593.4","1.2","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C33 H34 N6 O14 Zn2 -","- C33 H34 N6 O14 Zn2 -","- C264 H272 N48 O112 Zn16 -","8","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0612","0.056","","","0.1495","0.1509","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214402","17.334","0.002","9.2474","0.001","20.562","0.002","90","","108.815","0.004","90","","3119.9","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N4 Ni O12 -","- C29 H32 N4 Ni O12 -","- C116 H128 N16 Ni4 O48 -","4","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0453","0.0427","","","0.1205","0.1221","","","","","","1.123","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214403","11.4622","0.0015","9.4091","0.0012","22.611","0.003","90","","91.698","0.002","90","","2437.5","0.6","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H60 Cd2 N4 O20 -","- C41 H60 Cd2 N4 O20 -","- C82 H120 Cd4 N8 O40 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0554","0.0459","","","0.1212","0.1302","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214404","15.355","0.005","6.908","0.002","32.838","0.011","90","","99.157","0.005","90","","3438.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 Er N6 O6 -","- C42 H27 Er N6 O6 -","- C168 H108 Er4 N24 O24 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1102","0.066","","","0.1498","0.1704","","","","","","1.053","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214405","11.359","0.003","14.308","0.006","18.162","0.007","90","","127.87","0.02","90","","2330.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C112 H72 N16 O16 Zn4 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1549","0.0573","","","0.0963","0.133","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214406","18.884","0.0017","18.884","0.0017","22.448","0.003","90","","90","","90","","8005.1","1.5","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H72 Cl6 Er4 N8 O44 Zn -","- C56 H64 Cl6 Er4 N8 O44 Zn -","- C224 H256 Cl24 Er16 N32 O176 Zn4 -","4","0.25","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1133","0.0613","","","0.1418","0.169","","","","","","1.138","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214407","5.116","0.0004","5.1957","0.0004","19.5042","0.0016","90.704","0.002","93.362","0.002","91.346","0.002","517.36","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 312 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl), HOOC-(CH2)4-COOH","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0437","0.0375","","","0.1069","0.1132","","","","","","1.057","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214408","5.1221","0.0004","5.2045","0.0004","21.5019","0.0014","94.963","0.002","95.404","0.002","91.63","0.002","568.12","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF313 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl) HOOC-(CH2)6-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0529","0.0429","","","0.1227","0.1303","","","","","","1.064","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214409","5.1072","0.0004","5.1171","0.0004","22.119","0.002","96.134","0.006","94.037","0.006","91.34","0.006","573.05","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF11 (4-pyridyl-CONH-(CH2)8-NHCO-(4-pyridyl), succinic acid","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0597","0.0471","","","0.1143","0.123","","","","","","1.032","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214410","5.1403","0.0003","5.2489","0.0003","22.9829","0.0015","93.859","0.004","95.267","0.004","91.289","0.004","615.82","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adip+A44 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)8-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.057","0.0402","","","0.1061","0.1154","","","","","","1.045","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214411","5.142","0.0004","5.2541","0.0004","24.624","0.002","89.785","0.004","87.095","0.004","88.59","0.004","664.2","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","A44-Sub 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)6-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0706","0.0473","","","0.123","0.1384","","","","","","1.005","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214412","5.1264","0.0006","5.2432","0.0006","26.127","0.003","85.874","0.004","89.354","0.004","88.356","0.004","700.12","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 305 (4-pyridyl)-CONH-(CH2)8-NHCO-(4-pyridyl), HOOC-(CH2)8-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0956","0.0614","","","0.1655","0.1827","","","","","","1.084","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214413","5.0275","0.0006","6.9253","0.0009","16.058","0.002","89.749","0.006","81.536","0.005","80.893","0.006","545.93","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","C44-Succ 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, succinic acid","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0533","0.0431","","","0.1222","0.1305","","","","","","1.041","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214414","5.0282","0.0006","6.7877","0.0008","17.522","0.002","98.124","0.003","97.604","0.003","94.605","0.003","583.82","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 300 (3-pyridyl)-COHN-(CH2)6-NHCO-(3-pyridyl), HOOC-(CH2)4-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0688","0.0487","","","0.127","0.14","","","","","","1.084","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214415","5.1671","0.0013","11.646","0.003","11.779","0.004","67.873","0.011","80.585","0.012","79.827","0.012","642.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","SF 301 (3-pyridyl)-CONH-(CH2)-6-NHCO-(3-pyridyl), HOOC-(CH2)6-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.1002","0.0563","","","0.1407","0.1599","","","","","","1.07","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214416","4.9817","0.0004","6.8634","0.0006","20.0493","0.0016","93.097","0.004","90.233","0.004","98.285","0.004","677.32","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 274 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)8-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0676","0.0517","","","0.1446","0.1571","","","","","","1.091","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214417","4.9821","0.0004","6.8797","0.0006","21.441","0.0017","87.936","0.006","86.223","0.006","81.469","0.005","724.93","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF10 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)10-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0854","0.051","","","0.1297","0.1478","","","","","","1.017","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214418","8.2633","0.0003","7.3098","0.0003","5.5317","0.0002","90","","99.088","0.003","90","","329.94","0.02","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0424","0.0375","","0.0854","0.0834","0.0854","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214419","8.9742","0.00018","5.21927","0.00008","7.40243","0.00016","90","","112.972","0.0013","90","","319.224","0.011","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","ethylamine","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","powder diffraction","","1.5406","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214420","23.287","0.0013","6.2354","0.0004","5.9794","0.0004","90","","90","","90","","868.23","0.09","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","propylamine","","- C3 H9 N -","- C3 H9 N -","- C24 H72 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0777","0.0598","","0.1494","0.1337","0.1494","","","","","","0.9898","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214421","26.7852","0.0008","6.8166","0.0002","5.6703","0.0002","90","","90","","90","","1035.31","0.06","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","Butylamine","","- C4 H11 N -","- C4 H11 N -","- C32 H88 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0562","0.0471","","0.1423","0.1219","0.1423","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214422","33.546","0.004","6.4878","0.0008","5.7295","0.0007","90","","90","","90","","1247","0.3","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","pentylamine","","- C5 H13 N -","- C5 H13 N -","- C40 H104 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1555","0.0612","","0.1959","0.1373","0.1959","","","","","","0.9616","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214423","6.9725","0.0003","17.7977","0.0006","5.6105","0.0002","90","","90","","90","","696.23","0.05","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0504","0.0418","","0.1078","0.0969","0.1078","","","","","","1.0087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214424","5.5669","0.0005","41.7","0.004","6.9982","0.0007","90","","90","","90","","1624.6","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","heptylamine","","- C7 H17 N -","- C7 H17 N -","- C56 H136 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1758","0.0745","","0.3126","0.2017","0.3126","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214425","7.0309","0.0005","22.3077","0.0015","5.5826","0.0004","90","","90","","90","","875.59","0.11","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","octylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.055","0.0536","","0.1084","0.1062","0.1084","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214426","5.5458","0.0002","50.6527","0.0017","7.0521","0.0002","90","","90.04","0.002","90","","1981","0.11","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","","nonylamine","","- C9 H21 N -","- C9 H21 N -","- C72 H168 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0924","0.0369","","0.1425","0.0946","0.1425","","","","","","0.8769","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214427","7.066","0.0004","26.8352","0.0015","5.573","0.0003","90","","90","","90","","1056.74","0.1","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","decylamine","","- C10 H23 N -","- C10 H23 N -","- C40 H92 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0592","0.0536","","0.1229","0.1187","0.1229","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214428","6.065","0.003","4.463","0.002","11.55","0.006","90","","90.081","0.006","90","","312.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- B3 Be4 K O9 -","- B3 Be4 K O9 -","- B6 Be8 K2 O18 -","2","0.5","","Wang, Shichao; Ye, Ning; Zou, Guohong","A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs)","CrystEngComm","2014","16","19","3971","","10.1039/c4ce00085d","","","0.71073","MoKα","","0.02","0.0194","","","0.0544","0.0548","","","","","","1.131","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214429","12.443","0.002","6.5577","0.0011","21.666","0.003","90","","93.151","0.002","90","","1765.2","0.5","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0813","0.0573","","","0.1502","0.1645","","","","","","1.062","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214430","8.2584","0.0014","10.6118","0.0018","11.751","0.002","67.631","0.002","72.609","0.002","69.331","0.002","874.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0745","0.0453","","","0.1133","0.1319","","","","","","1.009","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214431","10.4014","0.0017","11.1506","0.0018","15.433","0.003","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1443","0.0547","","","0.0585","0.0721","","","","","","1.041","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214432","5.985","0.004","10.346","0.007","27.985","0.018","90","","90.592","0.009","90","","1733","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1749","0.1103","","","0.2965","0.3307","","","","","","1.025","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214433","6.171","0.005","12.078","0.005","12.267","0.005","76.243","0.005","80.572","0.005","77.97","0.005","862.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.1041","0.0732","","","0.2064","0.2324","","","","","","1.086","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214434","5.927","0.005","6.623","0.005","11.219","0.005","80.046","0.005","89.205","0.005","84.973","0.005","432.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","1","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.0638","0.0562","","","0.1662","0.1758","","","","","","1.034","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214435","6.3438","0.0018","10.203","0.003","14.767","0.004","108.771","0.004","97.042","0.004","93.17","0.004","893.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C32 H52 O4 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1101","0.0576","","","0.1395","0.1667","","","","","","1.043","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214436","12.418","0.005","6.541","0.002","21.609","0.008","90","","93.212","0.006","90","","1752.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1968","0.0841","","","0.222","0.2771","","","","","","0.963","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214437","11.94","0.007","19.051","0.01","9.493","0.005","90","","124.504","0.007","90","","1779.5","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1811","0.0586","","","0.1071","0.1419","","","","","","0.926","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214438","10.4267","0.0016","15.449","0.002","11.1546","0.0018","90","","90","","90","","1796.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,S)-1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.2124","0.0945","","","0.0813","0.1018","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214439","25.3961","0.0009","25.3961","0.0009","25.3961","0.0009","90","","90","","90","","16379.5","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0955","0.0689","","","0.1884","0.2091","","","","","","0.809","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214440","25.704","0.003","25.704","0.003","25.704","0.003","90","","90","","90","","16983","3","120","2","120","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0811","0.0529","","","0.1259","0.1337","","","","","","0.836","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214441","3.7068","0.001","13.382","0.003","18.423","0.005","98.732","0.004","93.699","0.004","95.739","0.004","895.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium picrate mono-acetonitrile solvate","","- C18 H14 N6 O7 -","- C18 H14 N6 O7 -","- C36 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0808","0.0584","","","0.1871","0.2008","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214442","17.8023","0.001","15.2063","0.0009","20.3551","0.0012","90","","102.331","0.001","90","","5383.1","0.5","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Morpholinium picrate hemihydrate","","- C10 H13 N4 O8.5 -","- C10 H13 N4 O8.5 -","- C160 H208 N64 O136 -","16","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.088","0.0594","","","0.1472","0.1657","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214443","13.509","0.005","7.028","0.003","18.804","0.007","90","","98.116","0.006","90","","1767.4","1.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolinium picrate","","- C18 H11 N5 O7 -","- C18 H11 N5 O7 -","- C72 H44 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0863","0.0528","","","0.1297","0.1424","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214444","8.27","0.0005","10.6206","0.0006","11.4612","0.0007","82.126","0.001","86.883","0.001","71.856","0.001","947.52","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2':6',2''-Terpyridinium picrate","","- C21 H14 N6 O7 -","- C21 H14 N6 O7 -","- C42 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.074","0.0513","","","0.1302","0.1489","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214445","8.2754","0.0016","10.872","0.002","11.452","0.002","98.064","0.004","104.517","0.003","102.449","0.004","953.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,9-Dimethyl-1,10-phenanthrolinium picrate","","- C20 H15 N5 O7 -","- C20 H15 N5 O7 -","- C40 H30 N10 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1046","0.0578","","","0.1408","0.1681","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214446","6.5862","0.0005","16.8945","0.0013","17.1437","0.0014","90","","99.306","0.002","90","","1882.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperidinium picrate mono-piperidine solvate","","- C16 H25 N5 O7 -","- C16 H25 N5 O7 -","- C64 H100 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1057","0.0584","","","0.1405","0.1659","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214447","8.191","0.003","11.869","0.004","13.953","0.005","86.255","0.005","82.754","0.006","80.752","0.005","1326.8","0.8","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-Methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0904","0.0596","","","0.1488","0.1643","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214448","8.259","0.002","9.243","0.002","19.849","0.005","90","","91.282","0.004","90","","1514.9","0.6","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxyquinolinium picrate","","- C15 H10 N4 O8 -","- C15 H10 N4 O8 -","- C60 H40 N16 O32 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0668","0.048","","","0.1204","0.1331","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214449","9.1996","0.0011","14.6492","0.0018","13.1834","0.0016","90","","108.918","0.002","90","","1680.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-pyridyl)ammonium picrate","","- C16 H12 N6 O7 -","- C16 H12 N6 O7 -","- C64 H48 N24 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0803","0.0594","","","0.1502","0.1684","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214457","10.9578","0.0003","16.3093","0.0005","9.2414","0.0003","90","","97.956","0.003","90","","1635.67","0.09","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cd2 Cl0 K N5 O10 -","- C11 H8 Cd2 K N5 O10 -","- C44 H32 Cd8 K4 N20 O40 -","4","0.5","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0468","0.0341","","","0.056","0.0623","","","","","","1.044","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214458","6.595","0.0004","9.1653","0.0005","14.1958","0.001","85.873","0.005","82.166","0.005","74.734","0.004","819.48","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd3 N5 O12 -","- C11 H9 Cd3 N5 O12 -","- C22 H18 Cd6 N10 O24 -","2","1","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0535","0.0364","","","0.0593","0.068","","","","","","1.06","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214459","9.8996","0.0009","10.1499","0.0009","19.4607","0.0017","77.199","0.001","84.26","0.001","61.525","0.001","1676.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Eu N3 O25 Y2 -","- C24 H26 Eu0.99 N3 O25 Y2.01 -","- C48 H52 Eu1.98 N6 O50 Y4.02 -","2","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.0449","0.0325","","","0.0822","0.0947","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214460","7.4519","0.0006","19.2623","0.0015","12.3897","0.0009","90","","90","","90","","1778.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H5 Eu0.44 N O5 Y0.56 -","- C7 H5 Eu0.44 N O5 Y0.56 -","- C56 H40 Eu3.52 N8 O40 Y4.48 -","8","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.028","0.023","","","0.0537","0.0553","","","","","","1.151","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214461","5.8743","0.0006","7.5065","0.0007","13.3959","0.0009","101.489","0.007","96.656","0.007","110.39","0.008","531.44","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0732","0.0491","","","0.1109","0.1186","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214462","7.287","0.002","24.367","0.005","12.004","0.003","90","","100.65","0.02","90","","2094.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N4 O -","- C10 H7 Br N4 O -","- C80 H56 Br8 N32 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.2004","0.0812","","","0.1605","0.2016","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214463","5.8988","0.0019","7.408","0.003","13.191","0.004","101.56","0.03","96.55","0.02","110.55","0.03","518","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0815","0.0715","","","0.141","0.1512","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214464","7.375","0.004","10.92","0.005","13.606","0.007","86.2","0.04","83.56","0.04","73.19","0.04","1041.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cl N4 O -","- C10 H7 Cl N4 O -","- C40 H28 Cl4 N16 O4 -","4","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.162","0.071","","","0.1168","0.1433","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214465","6.0141","0.0015","23.974","0.005","13.582","0.003","90","","92.58","0.02","90","","1956.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.1738","0.0538","","","0.0885","0.1149","","","","","","0.864","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214466","3.7671","0.0005","15.7465","0.0019","16.358","0.002","90","","92.991","0.011","90","","969","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F N4 O -","- C10 H7 F N4 O -","- C40 H28 F4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0901","0.0466","","","0.0773","0.0862","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214467","5.7717","0.0003","24.9374","0.0008","7.5654","0.0003","90","","94.819","0.004","90","","1085.05","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 I N4 O -","- C10 H7 I N4 O -","- C40 H28 I4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0912","0.0787","","","0.1239","0.1598","","","","","","0.91","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214468","5.955","0.0008","7.7126","0.0011","12.9998","0.0017","78.85","0.011","85.64","0.011","70.594","0.011","552.47","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0355","0.0296","","","0.0668","0.0692","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214469","18.4898","0.0011","18.4898","0.0011","38.7266","0.0019","90","","90","","120","","11465.8","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 N O12 -","- C22 H9 Cu2 N O12 -","- C198 H81 Cu18 N9 O108 -","9","0.25","","Zhang, Mingxing; Wang, Qian; Lu, Zhiyong; Liu, Huiyan; Liu, Wenlong; Bai, Junfeng","A nitro-decorated NbO-type metal‒organic framework with a highly selective CO2 uptake and CH4 storage capacity","CrystEngComm","2014","16","28","6287","","10.1039/c4ce00202d","","","0.71073","MoKα","","0.1328","0.1208","","","0.3356","0.3522","","","","","","1.449","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214470","37.342","0.007","8.2819","0.0004","26.577","0.009","90","","134.36","0.03","90","","5876","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N6 O9 Zn1.5 -","- C30 H23 N6 O9 Zn1.5 -","- C240 H184 N48 O72 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1415","0.0794","","","0.1381","0.1575","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214471","38.1051","0.0019","8.0262","0.0002","26.1036","0.0012","90","","130.755","0.008","90","","6047.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd1.5 N6 O11 -","- C30 H27 Cd1.5 N6 O11 -","- C240 H216 Cd12 N48 O88 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0772","0.0531","","","0.0977","0.1049","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214472","10.1513","0.0015","32.003","0.006","18.417","0.004","90","","90","","90","","5983.2","1.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H19 N6 O7.5 Zn1.5 -","- C30 H19 N6 O7.5 Zn1.5 -","- C240 H152 N48 O60 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1961","0.0987","","","0.2535","0.3063","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214473","32.5833","0.0008","10.191","0.0003","19.138","0.0005","90","","90","","90","","6354.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd1.5 N6 O10 -","- C30 H24 Cd1.5 N6 O10 -","- C240 H192 Cd12 N48 O80 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0614","0.0459","","","0.106","0.1119","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214474","19.9674","0.0005","18.9868","0.0005","30.7298","0.0011","90","","90","","90","","11650.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H43 N12 O18.5 Zn3 -","- C60 H43 N12 O18.5 Zn3 -","- C480 H344 N96 O148 Zn24 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1264","0.0662","","","0.1578","0.1866","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214475","7.5481","0.0006","10.8878","0.001","19.046","0.0018","79.948","0.008","79.57","0.008","73.077","0.008","1460.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.074","0.0617","","","0.1591","0.168","","","","","","1.049","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214476","27.4177","0.0012","8.2315","0.0003","13.7691","0.0007","90","","94.263","0.005","90","","3098.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd1.5 N6 O10 -","- C30 H25 Cd1.5 N6 O10 -","- C120 H100 Cd6 N24 O40 -","4","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0583","0.0464","","","0.1002","0.1043","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214477","5.764","0.002","7.64","0.002","12.283","0.004","90","","96.901","0.011","90","","537","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0442","0.035","","","0.0783","0.0832","","","","","","1.038","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214478","5.671","0.004","7.888","0.005","12.348","0.01","90","","96.719","0.003","90","","548.6","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0481","0.0328","","","0.0826","0.0951","","","","","","1.132","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214479","5.541","0.006","8.214","0.007","12.427","0.012","90","","97.314","0.008","90","","561","0.9","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0768","0.0577","","","0.1046","0.1114","","","","","","1.2","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214480","7.89","0.005","5.79","0.005","13.65","0.005","90","","91.22","","90","","623.4","0.7","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0896","0.0538","","","0.081","0.086","","","","","","1.344","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214481","8.02","0.005","5.75","0.005","13.74","0.005","90","","91.43","","90","","633.4","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0497","","","0.0881","0.092","","","","","","1.444","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214482","8.29","0.005","5.66","0.005","13.78","0.005","90","","91.8","","90","","646.3","0.7","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0906","0.053","","","0.0928","0.0983","","","","","","1.472","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214483","8.54","0.005","5.58","0.005","13.84","0.005","90","","92.92","","90","","658.7","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0814","0.0441","","","0.0803","0.0852","","","","","","1.381","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214484","8.0244","0.0012","5.7496","0.0007","13.735","0.002","90","","91.246","0.005","90","","633.54","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0371","0.0334","","","0.089","0.0918","","","","","","1.09","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214485","8.2868","0.0007","5.6618","0.0003","13.7761","0.0011","90","","91.799","0.004","90","","646.03","0.08","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0455","0.0353","","","0.0997","0.1077","","","","","","1.122","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214486","8.5398","0.0008","5.5798","0.0004","13.8377","0.0016","90","","92.291","0.004","90","","658.84","0.11","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0773","0.0432","","","0.1107","0.1464","","","","","","1.159","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214487","8.3188","0.001","5.6497","0.0005","13.8382","0.0013","90","","104.156","0.004","90","","630.63","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0435","0.0327","","","0.0745","0.0804","","","","","","1.07","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214488","8.5509","0.0016","5.5691","0.0008","13.909","0.002","90","","102.959","0.007","90","","645.49","0.18","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0656","0.0398","","","0.0933","0.1043","","","","","","1.074","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214489","8.7741","0.0014","5.4413","0.0007","13.9303","0.0019","90","","100.73","0.006","90","","653.44","0.16","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0949","0.0487","","","0.0962","0.1168","","","","","","1.031","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214490","5.1081","0.0008","10.5388","0.0014","10.2233","0.0014","90","","102.717","0.007","90","","536.85","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0696","0.0432","","","0.1088","0.1261","","","","","","1.173","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214491","5.1464","0.0014","10.555","0.002","10.313","0.003","90","","101.835","0.013","90","","548.3","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.079","0.0508","","","0.111","0.1231","","","","","","1.061","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214492","8.35","0.005","5.44","0.005","15.43","0.005","90","","101.95","0.01","90","","685.7","0.8","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0871","0.0502","","","0.0779","0.0838","","","","","","1.281","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214493","8.4","0.005","5.47","0.005","15.47","0.005","90","","101.95","0.01","90","","695.4","0.8","50","","50","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0473","","","0.0777","0.0838","","","","","","1.217","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214494","8.483","0.003","5.5169","0.0014","15.415","0.005","90","","101.677","0.008","90","","706.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.033","0.0308","","","0.088","0.09","","","","","","1.086","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214495","8.6629","0.0012","5.6284","0.0006","15.152","0.002","90","","100.948","0.004","90","","725.34","0.16","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0408","0.0373","","","0.1078","0.1113","","","","","","1.081","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214496","8.797","0.002","5.6934","0.0013","15.059","0.004","90","","100.764","0.007","90","","741","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0534","0.0472","","","0.1364","0.1435","","","","","","1.072","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214497","5.8025","0.0008","18.158","0.002","6.8184","0.0008","90","","101.019","0.004","90","","705.15","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0525","0.0417","","","0.1139","0.1251","","","","","","1.13","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214498","5.864","0.0005","18.2369","0.0011","6.8458","0.0004","90","","101.33","0.003","90","","717.83","0.09","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0485","0.0397","","","0.1113","0.1196","","","","","","1.081","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214499","5.924","0.004","18.376","0.009","6.873","0.005","90","","101.293","0.005","90","","733.7","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0802","0.0507","","","0.1438","0.1693","","","","","","1.082","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214500","5.71","0.0006","7.97","0.001","12.16","0.0013","90","","96.16","0.004","90","","550.19","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0734","0.0453","","","0.0749","0.08","","","","","","1.258","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214501","5.67","0.0006","8.12","0.001","12.22","0.0013","90","","96.38","0.004","90","","559.13","0.11","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0565","0.0355","","","0.0642","0.0691","","","","","","1.235","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214502","5.64","0.0006","8.26","0.001","12.28","0.0013","90","","96.66","0.004","90","","568.22","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0678","0.0423","","","0.0746","0.0787","","","","","","1.368","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214503","5.7109","0.0007","7.9698","0.0011","12.158","0.0015","90","","96.16","0.004","90","","550.17","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.035","0.0299","","","0.0793","0.083","","","","","","1.069","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214504","5.6706","0.0005","8.1227","0.0007","12.2182","0.001","90","","96.375","0.003","90","","559.3","0.08","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0382","0.0315","","","0.0826","0.0896","","","","","","1.091","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214505","5.6366","0.0006","8.2568","0.001","12.279","0.0013","90","","96.659","0.004","90","","567.61","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0621","0.0351","","","0.0848","0.1074","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214506","5.7976","0.001","7.5666","0.001","12.351","0.003","90","","97.03","0.03","90","","537.74","0.18","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0501","0.0501","","","","0.1268","","","","","","1.126","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214507","5.766","0.002","7.666","0.003","12.332","0.005","90","","96.81","0.03","90","","541.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0552","0.0552","","","0.1145","0.1145","","","","","","1.046","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214508","5.676","0.002","7.912","0.003","12.366","0.005","90","","96.66","0.03","90","","551.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0558","0.0558","","","0.1247","0.1247","","","","","","1.091","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214509","5.549","0.002","8.239","0.003","12.445","0.004","90","","97.24","0.03","90","","564.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0566","0.0566","","","0.13","0.1301","","","","","","1.096","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214510","7.4865","0.0014","13.522","0.003","17.24","0.003","67.769","0.009","81.362","0.009","79.166","0.009","1580.7","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cl6 I2 N2 O2 -","- C28 H16 Cl6 I2 N2 O2 -","- C56 H32 Cl12 I4 N4 O4 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0546","0.0303","","","0.0633","0.0733","","","","","","1.004","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214511","8.557","0.002","14.816","0.003","31.189","0.006","90","","90","","90","","3954.2","1.4","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl7 I2 N O2 -","- C34 H44 Cl7 I2 N O2 -","- C136 H176 Cl28 I8 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0405","0.0267","","","0.0497","0.0537","","","","","","1.086","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214512","8.9174","0.0009","15.2187","0.0012","31.429","0.003","90","","90","","90","","4265.3","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl6 I3 N O2 -","- C34 H44 Cl6 I3 N O2 -","- C136 H176 Cl24 I12 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0524","0.0341","","","0.0736","0.0869","","","","","","1.079","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214513","22.173","0.002","7.687","0.0007","13.8308","0.0013","90","","109.181","0.004","90","","2226.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0452","0.0366","","","0.1035","0.1082","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214514","4.2659","0.0006","10.4936","0.0014","13.3814","0.0016","108.226","0.012","93.893","0.012","90.291","0.012","567.43","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C18 H8 Cl6 I2 O2 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0385","0.0314","","","0.0737","0.0785","","","","","","1.059","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214515","31.1","0.005","5.3807","0.0007","13.861","0.002","90","","107.05","0.005","90","","2217.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.1436","0.1236","","","0.2744","0.2992","","","","","","1.044","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214516","11.4377","0.0005","10.9909","0.0004","23.6256","0.001","90","","101.327","0.002","90","","2912.1","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 Cd N4 O6 -","- C30 H20 Cd N4 O6 -","- C120 H80 Cd4 N16 O24 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0692","0.0655","","","0.166","0.1683","","","","","","1.113","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214517","10.7918","0.0004","22.0438","0.0009","29.3454","0.0011","78.661","0.002","81.342","0.002","83.766","0.003","6744.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H80 Cd4 N16 O28.5 -","- C120 H80 Cd4 N16 O28.5 -","- C240 H160 Cd8 N32 O57 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0778","0.0548","","","0.1464","0.1537","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214518","27.665","0.011","21.903","0.007","29.854","0.009","90","","90","","90","","18090","11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H57 N15 O24 Zn3 -","- C90 H57 N15 O24 Zn3 -","- C720 H456 N120 O192 Zn24 -","8","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.138","0.0766","","","0.1852","0.2179","","","","","","0.977","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214519","15.0919","0.0005","14.1967","0.0005","18.1636","0.0006","90","","112.283","0.002","90","","3601","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N6 O14 Zn -","- C38 H24 N6 O14 Zn -","- C152 H96 N24 O56 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0669","0.0425","","","0.0971","0.1073","","","","","","1.026","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214520","11.8446","0.0002","16.2081","0.0002","15.5426","0.0002","90","","116.373","0.001","90","","2673.29","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 O8.5 Zn -","- C31 H20 N4 O8.5 Zn -","- C124 H80 N16 O34 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0402","0.0357","","","0.0823","0.085","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214521","8.5394","0.0007","17.9536","0.0016","14.646","0.001","90","","118.236","0.004","90","","1978.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 N2 O5 Zn -","- C23 H13 N2 O5 Zn -","- C92 H52 N8 O20 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0674","0.0547","","","0.1559","0.1673","","","","","","1.06","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214522","9.9223","0.0002","14.9699","0.0003","21.0207","0.0004","77.365","0.001","81.01","0.001","82.377","0.001","2993.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 N8 O12 Zn2 -","- C60 H40 N8 O12 Zn2 -","- C120 H80 N16 O24 Zn4 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.061","0.0417","","","0.1105","0.1165","","","","","","1.038","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214523","20.507","0.009","16.63","0.007","14.456","0.006","90","","113.214","0.007","90","","4531","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 N6 O13 Tb -","- C13 H15 N6 O13 Tb -","- C104 H120 N48 O104 Tb8 -","8","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.079","0.0631","","","0.1687","0.1838","","","","","","1.063","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214524","11.252","0.006","15.764","0.009","9.851","0.006","90","","93.173","0.008","90","","1744.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Eu N6 O11 -","- C11 H16 Eu N6 O11 -","- C44 H64 Eu4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0628","0.0515","","","0.1464","0.1558","","","","","","1.089","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214525","11.225","0.004","15.717","0.005","9.817","0.003","90","","93.16","0.005","90","","1729.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Gd N6 O11 -","- C11 H16 Gd N6 O11 -","- C44 H64 Gd4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0844","0.0724","","","0.1782","0.1886","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214526","11.1943","0.0006","15.6877","0.0013","9.8087","0.0006","90","","93.125","0.006","90","","1720","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N6 O11 Tb -","- C11 H16 N6 O11 Tb -","- C44 H64 N24 O44 Tb4 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0384","0.0364","","","0.0942","0.0962","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214527","4.664","0.002","13.625","0.006","6.339","0.002","90","","115.82","0.03","90","","362.6","0.3","296","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C8 H4 Mn O4 -","- C8 H4 Mn O4 -","- C16 H8 Mn2 O8 -","2","0.5","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0459","0.0435","","","0.1193","0.1199","","","","","","1.218","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214528","13.171","0.005","5.1292","0.0018","11.719","0.004","90","","110.745","0.006","90","","740.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N0 O4 -","- C8 H4 Cu O4 -","- C32 H16 Cu4 O16 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0535","0.0444","","","0.107","0.1106","","","","","","1.064","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214529","11.648","0.002","12.091","0.003","11.846","0.003","90","","103.245","0.004","90","","1624","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C64 H40 Co12 O40 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0601","0.0409","","","0.1045","0.1136","","","","","","0.966","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214530","18.961","0.004","18.961","0.004","50.901","0.01","90","","90","","120","","15848","6","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C34 H14 Cu3 O15 -","- C34 H14 Cu3 O15 -","- C204 H84 Cu18 O90 -","6","0.25","","Lu, Zhiyong; Du, Liting; Zheng, Baishu; Bai, Junfeng; Zhang, Mingxing; Yun, Ruirui","A highly porous agw-type metal‒organic framework and its CO2 and H2 adsorption capacity","CrystEngComm","2013","15","45","9348","","10.1039/c3ce41119b","","","0.71073","MoKα","","0.17","0.1023","","","0.34","0.3758","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214531","22.6591","0.0011","22.6591","0.0011","12.7035","0.0012","90","","90","","90","","6522.4","0.8","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26.5 H27.75 Co N2 O7.38 -","- C26.5 H16 Co N2 O7.38 -","- C212 H128 Co8 N16 O59.04 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0909","0.0666","","","0.2142","0.2347","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214532","17.0218","0.0005","10.599","0.0003","18.3064","0.0005","90","","106.073","0.001","90","","3173.63","0.16","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H57.9 Co2 N4 O16.35 -","- C55.2 H48 Co2 N4 O16.35 -","- C110.4 H96 Co4 N8 O32.7 -","2","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0715","0.0569","","","0.1746","0.1951","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214533","10.7022","0.0004","10.7022","0.0004","22.8742","0.0019","90","","90","","120","","2268.9","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C26.4 H24.2 Co N2 O7.1 -","- C26.4 H22 Co N2 O7.1 -","- C79.2 H66 Co3 N6 O21.3 -","3","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.1398","0.1046","","","0.2944","0.3235","","","","","","1.298","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214534","17.753","0.0015","17.8428","0.0015","19.7082","0.0017","102.91","0.002","102.857","0.002","90.683","0.002","5920","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F20 N12 O9 S2 -","- C50 H24 Cu F20 N12 O9 S2 -","- C200 H96 Cu4 F80 N48 O36 S8 -","4","2","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1518","0.0829","","","0.2092","0.2412","","","","","","0.941","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214535","14.069","0.0015","16.4751","0.0018","17.8873","0.0019","70.271","0.002","81.333","0.002","67.876","0.002","3614","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H42 Cd2 F20 N12 O17 S4 -","- C52 H36 Cd2 F20 N12 O17 S4 -","- C104 H72 Cd4 F40 N24 O34 S8 -","2","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0997","0.0688","","","0.1769","0.1966","","","","","","1.049","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214536","42.976","0.014","7.96","0.003","8.547","0.003","90","","96.42","0.005","90","","2905.5","1.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Cu F10 N4 O3 -","- C26 H14 Cl2 Cu F10 N4 O3 -","- C104 H56 Cl8 Cu4 F40 N16 O12 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1244","0.1141","","","0.2674","0.2736","","","","","","1.309","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214537","16.085","0.0007","16.085","0.0007","20.6375","0.0012","90","","90","","90","","5339.5","0.5","298","2","298","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H22 Cl2 Cu F20 N8 O13 -","- C48 H20 Cl2 Cu F20 N8 O13 -","- C192 H80 Cl8 Cu4 F80 N32 O52 -","4","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0791","0.0678","","","0.2069","0.2269","","","","","","1.028","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214538","15.859","0.002","20.759","0.003","16.412","0.002","90","","90.95","0.003","90","","5402.4","1.2","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 B2 Cu F28 N8 O6 -","- C48 H20 B2 Cu F28 N8 O6 -","- C192 H80 B8 Cu4 F112 N32 O24 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1097","0.0729","","","0.1891","0.2206","","","","","","1.031","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214539","22.2079","0.0012","22.2079","0.0012","11.9119","0.0013","90","","90","","90","","5874.8","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C96 H48 Cl4 Cu2 F40 N16 O12 -","- C96 H40 Cl4 Cu2 F40 N16 O12 -","- C192 H80 Cl8 Cu4 F80 N32 O24 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1122","0.0982","","","0.2629","0.2771","","","","","","1.005","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214540","20.7225","0.0011","10.7393","0.0006","23.8872","0.0013","90","","101.536","0.001","90","","5208.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C192 H80 Cl16 Cu8 F80 N32 O20 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0663","0.0441","","","0.1258","0.1452","","","","","","0.975","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214541","12.1671","0.0009","14.9959","0.0012","7.1861","0.0005","90","","100.349","0.002","90","","1289.82","0.17","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 Cl2 Cu F10 N4 O2 -","- C24 H10 Cl2 Cu F10 N4 O2 -","- C48 H20 Cl4 Cu2 F20 N8 O4 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0512","0.0399","","","0.1169","0.1283","","","","","","0.984","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214542","17.8802","0.0014","17.8802","0.0014","8.4406","0.0009","90","","90","","90","","2698.5","0.4","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H45 Cu N12 O15 S -","- C48 H45 Cu N12 O15 S -","- C96 H90 Cu2 N24 O30 S2 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0847","0.0784","","","0.2371","0.2412","","","","","","1.16","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214543","4.8692","0.0008","47.735","0.008","6.2805","0.001","90","","91.129","0.004","90","","1459.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Cu F10 N4 O7 S -","- C26 H14 Cu F10 N4 O7 S -","- C52 H28 Cu2 F20 N8 O14 S2 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1148","0.0949","","","0.22","0.2359","","","","","","1.261","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214544","42.46","0.015","8.054","0.003","18.087","0.006","90","","98.341","0.006","90","","6120","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Cu F26 N8 O7 Si -","- C52 H28 Cu F26 N8 O7 Si -","- C208 H112 Cu4 F104 N32 O28 Si4 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1386","0.0916","","","0.2497","0.2937","","","","","","0.995","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214545","13.758","0.0011","25.2156","0.0018","14.9205","0.0011","90","","111.399","0.004","90","","4819.3","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Zn(bpdc-[NO2]2(dabco)(DMF))n","","","- C20 H10 N4 O9 Zn -","- C20 H10 N4 O9 Zn -","- C160 H80 N32 O72 Zn8 -","8","1","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.0704","0.0645","","","0.1942","0.2009","","","","","","1.118","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214546","28.0614","0.0011","30.0942","0.0019","30.0947","0.0012","90","","90","","90","","25415","2","250","2","250","2","","","","","","","","5","F m m m","-F 2 2","69","BMOF-1-bpdc-[NO2]2","","","- C48 H0 N8 O17 Zn2 -","- C48 N8 O17.002 Zn2 -","- C768 N128 O272.032 Zn32 -","16","0.5","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.1671","0.1579","","","0.5586","0.5968","","","","","","1.097","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214547","21.3799","0.0018","21.4597","0.0018","27.944","0.002","90","","90","","90","","12820.9","1.8","250","2","250","2","","","","","","","","5","C c c m","-C 2 2c","66","BMOF-1-bpdc-NO2","","","- C38 H8 N6 O8 Zn2 -","- C37.92 H8 N6 O8 Zn2 -","- C151.68 H32 N24 O32 Zn8 -","4","0.25","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.0886","0.0466","","","0.1265","0.1379","","","","","","0.993","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214548","21.355","0.002","21.355","0.002","19.211","0.002","90","","90","","90","","8760.9","1.5","250","2","250","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF-1-bpdc-NO2","","","- C36 H0 N2 O8 Zn2 -","- C36 N2 O8 Zn2 -","- C144 N8 O32 Zn8 -","4","0.125","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.1058","0.0647","","","0.2214","0.2398","","","","","","1.014","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214549","20.8424","0.0008","10.6114","0.0003","9.0023","0.0004","90","","111.686","0.004","90","","1850.09","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mo O7 P -","- C4 H8 Mo O7 P -","- C32 H64 Mo8 O56 P8 -","8","1","","Ayi, Ayi A.; Burrows, Andrew D.; Mahon, Mary F.; Sebestyen, Viorica M.","A molybdenum diphosphonate network structure exhibiting reversible dehydration and selective uptake of methanol","CrystEngComm","2013","15","45","9301","","10.1039/c3ce40484f","","","0.7107","MoKα","","0.0328","0.02","","","0.0405","0.0415","","","","","","0.946","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214550","17.4807","0.0003","17.4807","0.0003","10.435","0.0002","90","","90","","120","","2761.47","0.09","100","2","100","2","","","","","","","","5","P 61","P 61","169","ThrZnOAc","","","- C12 H26 N2 O10 Zn -","- C12 H16 N2 O10 Zn -","- C72 H96 N12 O60 Zn6 -","6","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks","CrystEngComm","2013","15","45","9634","","10.1039/c3ce41083h","","","0.71073","MoKα","","0.0533","0.0513","","","0.1358","0.1378","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214551","20.3296","0.0018","10.0183","0.0009","20.7795","0.0019","90","","103.925","0.001","90","","4107.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N6 O16 Zn2 -","- C42 H30 N6 O16 Zn2 -","- C168 H120 N24 O64 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.0853","0.0602","","","0.1417","0.1617","","","","","","1.072","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214552","10.1203","0.0019","12.479","0.002","12.856","0.002","114.531","0.002","100.79","0.002","92.305","0.002","1438.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.117","0.0806","","","0.236","0.2581","","","","","","1.101","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214553","16.1284","0.0002","16.1284","0.0002","5.2134","0.0001","90","","90","","90","","1356.14","0.04","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H20 Cd Cl2 N8 O4 -","- C24 H20 Cd Cl2 N8 O4 -","- C48 H40 Cd2 Cl4 N16 O8 -","2","0.25","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0258","0.0243","","","0.0676","0.0686","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214554","10.6965","0.0005","10.9917","0.0005","11.8093","0.0005","99.715","0.002","98.778","0.002","92.825","0.002","1348.49","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0491","0.0447","","","0.1352","0.1399","","","","","","1.04","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214555","7.4763","0.0001","8.3707","0.0001","9.0121","0.0001","93.246","0.001","113.291","0.001","105.23","0.001","491.575","0.012","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.018","0.0178","","","0.0476","0.0477","","","","","","1.097","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214556","5.8966","0.0003","26.491","0.0016","9.3632","0.0006","90","","104.022","0.002","90","","1419.01","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O7 Sr -","- C13 H10 N2 O7 Sr -","- C52 H40 N8 O28 Sr4 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.067","0.0486","","","0.1159","0.1289","","","","","","1.167","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214557","18.775","0.004","11.423","0.002","22.206","0.005","90","","90.663","0.006","90","","4762.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cd2 N7 O24 -","- C35 H53 Cd2 N7 O24 -","- C140 H212 Cd8 N28 O96 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.0739","0.0432","","","0.0841","0.0925","","","","","","1.062","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214558","12.6341","0.0008","35.035","0.002","8.0278","0.0005","90","","104.375","0.003","90","","3442.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N10 O10 S -","- C29 H36 N10 O10 S -","- C116 H144 N40 O40 S4 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.1497","0.095","","","0.1733","0.2031","","","","","","1.273","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214559","15.532","0.0005","18.0531","0.0006","18.7587","0.0006","96.715","0.002","94.667","0.002","108.814","0.002","4904.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","1","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.178","0.0883","","","0.2153","0.2884","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214560","18.0166","0.0005","18.0166","0.0005","18.6077","0.0005","90","","90","","120","","5230.8","0.2","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate","","- C8.5 H11.5 N4.5 O3.5 Zn -","- C7 H8 N4 O3 Zn -","- C126 H144 N72 O54 Zn18 -","18","1","","Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen","Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent","CrystEngComm","2013","15","45","9394","","10.1039/c3ce41632a","","","0.71073","MoKα","","0.0236","0.0212","","","0.0559","0.0569","","","","","","1.049","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214561","18.6648","0.0014","14.4855","0.0013","20.3605","0.0017","90","","91.374","0.007","90","","5503.3","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C224 H212 B8 Cu8 F32 N16 O4 P12 -","4","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1583","0.0591","","","0.0945","0.1114","","","","","","0.799","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214562","12.6603","0.0006","15.6342","0.0007","17.0355","0.0008","78.234","0.004","68.971","0.004","68.871","0.004","2924.9","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C116 H132 B4 Cu4 F16 N6 O10 P6 -","2","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1065","0.0537","","","0.1105","0.12","","","","","","0.945","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214563","42.216","0.002","17.4513","0.0007","20.096","0.0009","90","","90","","90","","14805.2","1.1","173","2","173","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B Cu2 F4 N8 P2 -","- C528 H448 B8 Cu16 F32 N64 P16 -","8","","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.2079","0.0949","","","0.245","0.2938","","","","","","0.691","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214564","25.4343","0.0005","39.7572","0.0008","17.0847","0.0003","90","","125.4","0.002","90","","14082.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B2 Cu2 F8 N8 P2 -","- C528 H448 B16 Cu16 F64 N64 P16 -","8","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","1.54178","CuKα","","0.077","0.0661","","","0.2058","0.2197","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214565","18.3877","0.0007","22.2348","0.0008","13.2146","0.0005","90","","93.58","0.003","90","","5392.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H43 N7 Ni3 O17 -","- C44 H43 N7 Ni3 O17 -","- C176 H172 N28 Ni12 O68 -","4","0.5","","Hou, Duan-Chuan; Jiang, Gui-Yuan; Fu, Hong-Ru; Zhao, Zhen; Zhang, Jian","A microporous nickel‒organic framework with an unusual 10-connected bct net and high capacity for CO2, H2 and hydrocarbons","CrystEngComm","2013","15","45","9499","","10.1039/c3ce40548f","","","0.71073","MoKα","","0.11","0.0759","","","0.2259","0.239","","","","","","1.424","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214566","10.4873","0.0015","13.908","0.002","17.158","0.003","67.376","0.005","89.533","0.005","81.192","0.005","2279.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H49 Cl Cu2 N4 O14 -","- C48 H49 Cl Cu2 N4 O14 -","- C96 H98 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0849","0.0444","","","0.0911","0.1098","","","","","","1.009","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214567","10.973","0.002","14.052","0.003","17.507","0.004","111.32","0.002","95.487","0.002","103.616","0.003","2394.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 Cl Cu2 N4 O14 -","- C48 H61 Cl Cu2 N4 O14 -","- C96 H122 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.1031","0.0533","","","0.123","0.1476","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214568","13.8039","0.0007","44.74","0.002","15.9315","0.0007","90","","120.633","0.003","90","","8466","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 Cl2 Cu4 N8 O28 -","- C80 H98 Cl2 Cu4 N8 O28 -","- C320 H392 Cl8 Cu16 N32 O112 -","4","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0962","0.0513","","","0.1115","0.1282","","","","","","1.045","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214569","16.063","0.0008","16.485","0.0009","19.025","0.0008","90","","90","","90","","5037.8","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H24 I2 In4 N6 O27 -","- C42 H18 I2 In4 N6 O27 -","- C168 H72 I8 In16 N24 O108 -","4","0.5","","He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition","CrystEngComm","2013","15","37","7406","","10.1039/c3ce41337c","","","0.71069","MoKα","","0.0863","0.069","","","0.1732","0.1868","","","","","","1.082","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214570","7.9561","0.0001","7.9561","0.0001","8.2785","0.0003","90","","90","","90","","524.03","0.02","296","0.2","296","0.2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0739","0.0286","","","0.0535","0.059","","","","","","0.821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214571","7.9005","0.0011","7.9005","0.0011","8.1982","0.0016","90","","90","","90","","511.71","0.14","120","0.2","120","0.2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0322","0.0175","","","0.0469","0.0483","","","","","","1.02","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7214572","7.994","0.0011","7.994","0.0011","8.275","0.0017","90","","90","","90","","528.81","0.15","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.8292","neutron","","0.0656","0.0337","","","0.076","0.0865","","","","","","1.001","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214573","7.869","0.0011","7.869","0.0011","8.248","0.0016","90","","90","","90","","510.73","0.14","20","2","20","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.832","neutron","","0.0554","0.0416","","","0.0857","0.0935","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7214574","11.2134","0.0006","7.7976","0.0004","16.128","0.0007","90","","103.26","0.005","90","","1372.6","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C40 H60 N12 O16 S4 -","4","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0806","0.0511","","","0.1111","0.1287","","","","","","1.017","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214575","22.2392","0.0016","8.4705","0.0004","14.771","0.0011","90","","107.056","0.008","90","","2660.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C80 H120 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1079","0.1203","","","","","","1.048","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214576","18.928","0.005","14.293","0.005","15.24","0.005","90","","108.95","0.005","90","","3900","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C112 H160 Cl20 Co8 N32 O12 P4 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0637","0.0487","","","0.1174","0.1295","","","","","","1.021","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214577","18.985","0.005","14.238","0.005","15.264","0.005","90","","109.48","0.005","90","","3890","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C112 H160 Cl20 N32 O12 P4 Zn8 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71073","MoKα","","0.0269","0.0248","","","0.0622","0.0634","","","","","","1.092","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214578","12.271","0.005","13.575","0.005","14.049","0.005","87.852","0.005","70.724","0.005","71.366","0.005","2087.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C48 H96 Cl16 Co4 N12 O12 P4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0503","0.0421","","","0.0965","0.0999","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214579","12.267","0.005","13.569","0.005","14.029","0.005","87.78","0.005","70.635","0.005","71.328","0.005","2081.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C48 H96 Cl16 N12 O12 P4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0325","0.0262","","","0.062","0.0646","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214580","8.5377","0.0011","13.1086","0.0017","14.4617","0.0018","90","","90","","90","","1618.5","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C40 H64 Cl8 N8 Ni4 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0372","0.029","","","0.0496","0.0524","","","","","","0.901","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214581","8.5078","0.0008","13.3811","0.0012","14.3894","0.0013","90","","90","","90","","1638.1","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C40 H64 Cl8 Co4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0264","0.0206","","","0.0369","0.038","","","","","","0.985","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214582","8.481","0.0006","13.4884","0.0009","14.3386","0.0011","90","","90","","90","","1640.3","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C40 H64 Cl8 Fe4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0431","0.0366","","","0.0732","0.0761","","","","","","1.033","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214583","3.7767","0.0017","9.284","0.004","10.824","0.005","78.814","0.007","82.416","0.008","82.514","0.007","366.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 Cd0.5 Cl N2 Se -","- C6 H4 Cd0.5 Cl N2 Se -","- C12 H8 Cd Cl2 N4 Se2 -","2","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.1061","0.06","","","0.1273","0.1481","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214584","3.7203","0.001","9.278","0.002","10.769","0.003","80.055","0.004","81.254","0.004","83.353","0.004","360.34","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","1","0.5","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0311","0.0254","","","0.0595","0.0618","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7214585","24.46","0.004","9.9842","0.0014","23.479","0.003","90","","110.705","0.003","90","","5363.6","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H42 Mn2 N8 O11 -","- C65 H42 Mn2 N8 O11 -","- C260 H168 Mn8 N32 O44 -","4","0.5","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0602","0.0441","","","0.1279","0.1355","","","","","","1.073","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214586","11.0612","0.0016","15.0262","0.0017","16.7833","0.0016","90","","95.491","0.001","90","","2776.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 N2 O10 Zn2 -","- C27 H15 N2 O10 Zn2 -","- C108 H60 N8 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0397","0.0317","","","0.0816","0.0846","","","","","","1.039","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214587","11.0632","0.0006","15.0159","0.0008","16.7772","0.0009","90","","95.394","0.001","90","","2774.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N3 O10 Zn2 -","- C32 H20 N3 O10 Zn2 -","- C128 H80 N12 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0378","0.0312","","","0.0862","0.0887","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214588","8.373","0.0001","9.072","0.0002","12.65","0.0003","95.47","0.001","96.202","0.001","110.315","0.001","886.71","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H20 O3 -","- C47 H40 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0422","0.036","","","0.0934","0.0967","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214589","8.3498","0.0002","9.0863","0.0002","12.6308","0.0003","95.767","0.001","96.368","0.001","110.027","0.002","884.89","0.04","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H18.5 Cl0.5 O3 -","- C46 H37 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0501","0.0378","","","0.0893","0.0957","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214590","8.367","0.0003","9.1032","0.0003","12.6727","0.0005","95.847","0.001","96.491","0.001","110.005","0.002","890.91","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H16 Cl0.5 O3 -","- C46 H32 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0961","0.0456","","","0.1035","0.1211","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214591","8.3704","0.0003","9.0991","0.0004","12.6749","0.0006","95.811","0.001","96.459","0.001","110.021","0.003","891.11","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.09 H18.78 Cl0.41 O3 -","- C23.1 H16 Cl0.4 O3 -","- C46.2 H32 Cl0.8 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1128","0.0504","","","0.1124","0.1328","","","","","","1.024","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214592","8.3923","0.0003","9.0879","0.0004","12.7002","0.0007","95.557","0.002","96.234","0.002","110.261","0.003","893.88","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H16 O3 -","- C47 H32 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1452","0.0495","","","0.0951","0.1184","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214593","10.825","0.003","28.608","0.002","24.372","0.0012","90","","93.639","0.005","90","","7532","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H26 Co6 O26 -","- C160 H104 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1382","0.1243","","","0.3321","0.3492","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214594","10.806","0.003","28.554","0.0014","24.329","0.0015","90","","93.658","0.005","90","","7492","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H20 Co6 O26 -","- C160 H80 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1497","0.1299","","","0.3308","0.3457","","","","","","1.289","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214595","28.764","0.004","21.682","0.003","10.933","0.0014","90","","90","","90","","6818.5","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C29 H34 Co3 N3 O15 -","- C23 H20 Co3 N O13 -","- C184 H160 Co24 N8 O104 -","8","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.0794","0.047","","","0.0995","0.1081","","","","","","1.036","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214596","6.47","0.0006","10.5728","0.0009","11.0821","0.0009","76.8","0.007","84.592","0.007","73.686","0.008","707.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1087","0.063","","","0.1369","0.1504","","","","","","0.996","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214597","6.545","0.002","10.393","0.004","11.114","0.005","75.24","0.04","74.79","0.03","78.01","0.03","697.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.227","0.1048","","","0.2105","0.277","","","","","","0.917","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214598","14.0619","0.0007","14.3634","0.0006","19.3287","0.001","90","","91.009","0.005","90","","3903.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N4 Ni O4 S6 -","- C30 H48 Cl2 N4 Ni O4 S6 -","- C120 H192 Cl8 N16 Ni4 O16 S24 -","4","1","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1384","0.0698","","","0.1499","0.1895","","","","","","0.916","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214599","7.9767","0.0008","19.507","0.002","15.317","0.002","90","","91.905","0.009","90","","2382","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Cl2 N4 Ni O4 S6 -","- C38 H64 Cl2 N4 Ni O4 S6 -","- C76 H128 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1596","0.0735","","","0.1116","0.1452","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214600","15.7634","0.0014","9.4746","0.0009","24.016","0.004","90","","97.142","0.009","90","","3559","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H112 Cl2 N4 Ni O4 S6 -","- C62 H112 Cl2 N4 Ni O4 S6 -","- C124 H224 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1854","0.0828","","","0.154","0.1999","","","","","","0.898","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214601","7.117","0.007","10.007","0.008","16.788","0.016","73.45","0.04","85.81","0.04","74.91","0.04","1106.6","1.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","2","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","0.71075","MoKα","","0.138","0.1009","","","0.273","0.2949","","","","","","1.08","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214602","7.516","0.001","15.318","0.001","11.199","0.001","90","","114.615","0.002","90","","1172.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0661","0.0607","","","0.152","0.1581","","","","","","1.093","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214603","21.216","0.001","21.216","","17.221","0.001","90","","90","","120","","6713","0.5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C306 H324 N36 O18 -","18","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0687","0.0624","","","0.1459","0.1504","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214604","14.9927","0.0004","24.6112","0.0005","30.667","0.0006","90","","90","","90","","11315.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[[{Mn(C6N4H18)(C6N4H20)}{Mn(C6N4H18)}4V15Ge6O48(0.5H2O)]*(C6N4H18)*2H2O","","","- C36 H115 Ge6 Mn5 N24 O50.5 V15 -","- C36 H110 Ge6 Mn5 N24 O50.5 V15 -","- C144 H440 Ge24 Mn20 N96 O202 V60 -","4","1","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0794","0.0667","","","0.1427","0.1493","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214605","26.9906","0.0004","14.7778","0.0003","24.9887","0.0004","90","","91.573","0.001","90","","9963.3","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H118 Ge6 N24 Ni4 O51 V15 -","- C36 H104 Ge6 N24 Ni4 O51 V15 -","- C144 H416 Ge24 N96 Ni16 O204 V60 -","4","0.5","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0619","0.0566","","","0.1387","0.1425","","","","","","1.115","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214606","12.418","0.003","16.869","0.003","20.201","0.004","101.395","0.004","101.351","0.004","96.407","0.004","4017","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","1","0.5","","Ma, Chunhua; Wang, Jintao; Zhao, Lin; Shi, Yueqin; Luo, Wenping; Yan, Yawkai; Fang, Min; Wang, Xiujian; Liu, Hong-Ke","(M3L4 + M2L4): a unique example of a co-crystal containing M3L4 and M2L4 metallocages","CrystEngComm","2013","15","47","10311","","10.1039/c3ce40928g","","","0.71073","MoKα","","0.155","0.0724","","","0.1932","0.249","","","","","","0.935","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214607","12.5497","0.0012","21.783","0.002","17.7472","0.0016","90","","97.507","0.002","90","","4810","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C192 H Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","1","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.2123","0.0692","","","0.1491","0.2293","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214608","5.8403","0.0007","13.6345","0.0015","13.9084","0.0016","109.15","0.002","98.89","0.002","99.218","0.002","1006.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","1","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0899","0.048","","","0.1173","0.171","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214609","16.579","","9.446","","27.37","","90","","102.71","","90","","4181.25","","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 Mn6 O48 -","- C84 H76 Mn6 O46 -","- C168 H152 Mn12 O92 -","2","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0718","0.05","","","0.1356","0.1571","","","","","","1.001","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214610","13.134","0.003","13.102","0.003","25.336","0.005","90","","93.935","0.004","90","","4349.6","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Mn2.5 O18 -","- C43 H28 Mn2.5 O18 -","- C172 H112 Mn10 O72 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0708","0.0708","","","0.2185","0.2185","","","","","","1.021","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214611","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Mn1.5 N2 O13 -","- C29 H31 Mn1.5 N2 O13 -","- C116 H124 Mn6 N8 O52 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0756","0.0635","","","0.2192","0.2399","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214612","27.565","0.003","21.395","0.003","9.3865","0.001","90","","106.317","0.003","90","","5312.8","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C192 H Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1251","0.0583","","","0.1325","0.1462","","","","","","0.998","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214613","27.579","","21.701","","9.515","","90","","106.34","","90","","5464.64","","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Mn3 N2 O20 -","- C50 H44 Mn3 N2 O20 -","- C200 H176 Mn12 N8 O80 -","4","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1665","0.0842","","","0.241","0.2986","","","","","","1.003","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214614","27.752","0.004","21.889","0.003","9.5237","0.0013","90","","107.685","0.003","90","","5511.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1209","0.0616","","","0.134","0.1484","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214615","21.701","0.004","23.071","0.005","23.286","0.005","63.91","0.03","68.86","0.03","64.94","0.03","9264","4","258","2","258","2","","","","","","","","5","P 1","P 1","1","","","","- C296 H374 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","1","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","1.54178","CuKα","","0.0598","0.0542","","","0.1388","0.1439","","","","","","1","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214616","22.945","0.005","31.803","0.006","32.955","0.007","90","","90","","90","","24048","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C200 H188 N4 O42 Zn8 -","- C200 H188 N4 O42 Zn8 -","- C800 H752 N16 O168 Zn32 -","4","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","0.9","synchrotron","","0.1115","0.0788","","","0.1906","0.2107","","","","","","0.993","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214617","5.159","0.003","18.175","0.006","12.684","0.004","90","","93.77","0.03","90","","1186.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","<i>R</i>-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","2","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1255","0.0695","","","0.1523","0.1791","","","","","","1.033","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214618","9.586","0.003","10.369","0.005","12.306","0.008","90","","90","","90","","1223.2","1.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1442","0.0701","","","0.1347","0.1613","","","","","","1.044","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214619","5.19","0.003","18.133","0.006","12.562","0.004","90","","93.79","0.03","90","","1179.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rac-N'-3-methylcyclopentylidene-4-hydroxybenzohydrazide","rac-N'-3-methylcyclopentylidene-4- hydroxybenzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1463","0.077","","","0.1366","0.1604","","","","","","1.107","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214620","11.144","0.0002","11.45","0.0002","14.8721","0.0003","90","","92.6884","0.0011","90","","1895.57","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((2,6-dimethylphenyl)amino)-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","2-[(2,6-dimethylphenyl)amino]-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","2","","Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna; Matulková, Irena; Němec, Ivan; Tesařová, Naďa; Němec, Petr","Lidocaine barbiturate: a promising material for second harmonic generation","CrystEngComm","2013","15","17","3275","","10.1039/c3ce00059a","","","0.71073","MoKα","","0.0407","0.0373","","","0.0894","0.0908","","","","","","1.141","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214621","11.2689","0.0005","11.2689","0.0005","29.897","0.002","90","","90","","90","","3796.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H20 N4 Ni2 O14 -","- C36 H20 N4 Ni2 O14 -","- C144 H80 N16 Ni8 O56 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.099","0.0892","","","0.2414","0.249","","","","","","1.108","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214622","21.412","0.013","9.512","0.005","29.262","0.013","90","","126.59","0.03","90","","4785","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H64 Cu4 N8 O40 -","- C104 H64 Cu4 N8 O40 -","- C208 H128 Cu8 N16 O80 -","2","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0912","0.0817","","","0.227","0.2385","","","","","","1.09","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214623","29.6634","0.0005","9.0656","0.0002","24.3568","0.0005","90","","100.831","0.002","90","","6433.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Co3 N6 O30 -","- C62 H38 Co3 N6 O30 -","- C248 H152 Co12 N24 O120 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0471","0.0349","","","0.1091","0.113","","","","","","1.043","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214624","14.44","0.0012","20.3899","0.0018","19.5001","0.0017","90","","108.521","0.002","90","","5444.1","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H62 F2 N6 O23 Zn2 -","- C54 H62.002 F2 N6 O23 Zn2 -","- C216 H248.008 F8 N24 O92 Zn8 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.168","0.083","","","0.2055","0.2534","","","","","","0.994","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214625","9.4178","0.0003","15.4572","0.0006","18.2451","0.0009","95.399","0.004","91.352","0.004","90.312","0.003","2643.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N4 O25.5 Zn4 -","- C36 H55 N4 O25.5 Zn4 -","- C72 H110 N8 O51 Zn8 -","2","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.079","0.0526","","","0.1515","0.1619","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214626","15.5337","0.0004","9.8251","0.0003","16.7644","0.0005","90","","90","","90","","2558.59","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H36 Co2 N2 O14 -","- C18 Co2 N2 O14 -","- C72 Co8 N8 O56 -","4","","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0487","0.0417","","","0.1309","0.1368","","","","","","1.123","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214627","9.69","0.0006","14.4331","0.0008","29.8442","0.0008","90","","90","","90","","4173.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H22 Mn2 N2 O17 P2 -","- C9 H22 Mn2 N2 O17 P2 -","- C72 H176 Mn16 N16 O136 P16 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0486","0.0382","","","0.0859","0.0902","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214628","13.884","0.003","12.146","0.002","16.327","0.003","90","","114.5","0.03","90","","2505.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12.8 N2 O7.4 Zn -","- C8 H12 N2 O7.4 Zn -","- C64 H96 N16 O59.2 Zn8 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0441","0.0362","","","0.0995","0.1041","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214629","11.6964","0.0008","17.7522","0.0004","22.794","0.0012","90","","90","","90","","4732.9","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N1-hexylthymine","1-hexyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C176 H288 N32 O32 -","16","2","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.1085","0.0599","","","0.1795","0.1982","","","","","","1.05","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214630","6.685","0.001","8.004","0.003","12.907","0.006","89.62","0.05","84.5","0.03","81.14","0.03","679.2","0.4","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H18 Br N3 O -","- C10 H18 Br N3 O -","- C20 H36 Br2 N6 O2 -","2","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","x-ray","0.71073","MoKα","","0.1309","0.0547","","","0.1126","0.1344","","","","","","1.016","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214631","7.4416","0.0002","28.1838","0.0011","25.9487","0.0006","90","","91.616","0.003","90","","5440.1","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H70 Cl6 Hg2 N12 O4 -","- C40 H70 Cl6 Hg2 N12 O4 -","- C160 H280 Cl24 Hg8 N48 O16 -","4","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.0896","0.052","","","0.1555","0.1652","","","","","","0.972","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214632","22.18","0.003","22.18","0.003","43.666","0.009","90","","90","","90","","21482","6","291","2","291","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C201 H288 Cd7 N18 O83 -","- C172 H192 Cd7 N6 O72 -","- C688 H768 Cd28 N24 O288 -","4","0.25","","Xu, Heng; Bao, Weiwei; Xu, Yan; Liu, Xiaolan; Shen, Xuan; Zhu, Dunru","An unprecedented 3D/3D hetero-interpenetrated MOF built from two different nodes, chemical composition, and topology of networks","CrystEngComm","2012","14","18","5720","","10.1039/c2ce25739d","","","0.71073","MoKα","","0.0588","0.0514","","","0.1225","0.1262","","","","","","1.059","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214633","34.7123","0.0006","6.19971","0.00011","7.24791","0.00013","90","","91.5454","0.0007","90","","1559.23","0.05","213.1","","213.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0395","","","","0.1172","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214634","38.2177","0.0007","6.1954","0.00011","7.19732","0.00013","90","","92.0811","0.0007","90","","1703.01","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0387","","","","0.1096","","","","","","1.207","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214635","37.4749","0.0007","6.19581","0.00011","7.19661","0.00013","90","","92.8197","0.0008","90","","1668.94","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.042","","","","0.1111","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214636","35.5961","0.0009","6.21689","0.00018","7.1819","0.0002","90","","92.5391","0.0014","90","","1587.77","0.08","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 F N O2 -","- C19 H18 F N O2 -","- C76 H72 F4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0619","","","","0.1914","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214637","5.96084","0.00015","12.8706","0.0002","22.8019","0.0004","90","","90","","90","","1749.35","0.06","213.1","","213.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O2 -","- C19 H18 I N O2 -","- C76 H72 I4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0625","","","","0.1574","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214638","4.4201","0.0004","4.4201","0.0002","37.487","0.003","90","0.005","90","0.006","120","0.007","634.27","0.09","291.4","","291.4","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Sang, Yuanhua; Yu, Dehong; Avdeev, Maxim; Piltz, Ross; Sharma, Neeraj; Ye, Ning; Liu, Hong; Wang, Jiyang","X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2","CrystEngComm","2012","14","18","6079","","10.1039/c2ce25828e","","","0.7107","MoKα","","0.0366","0.0312","","","0.0411","0.0417","","","","2.5","2.5","2.39","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214639","7.3729","0.0004","11.2139","0.0004","20.1034","0.0008","90","","90","","90","","1662.13","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0611","0.0449","","","0.0824","0.0892","","","","","","0.974","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214640","7.3456","0.0005","11.2047","0.0008","20.0815","0.0015","90","","90","","90","","1652.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0297","0.0281","","","0.0718","0.0727","","","","","","1.091","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214641","9.126","0.005","13.963","0.005","14.834","0.005","90","","103.643","0.005","90","","1836.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cu N3 O3 -","- C18 H23 Cu N3 O3 -","- C72 H92 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0483","0.0336","","","0.0904","0.0945","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214642","23.334","0.016","9.933","0.005","8.938","0.005","90","","112.509","0.007","90","","1914","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O10 P2 Zn2 -","- C14 H18 N2 O10 P2 Zn2 -","- C56 H72 N8 O40 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0348","0.0305","","","0.0758","0.0782","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214643","23.255","0.005","9.9714","0.0017","8.808","0.0018","90","","112.174","0.009","90","","1891.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co2 N2 O10 P2 -","- C14 H18 Co2 N2 O10 P2 -","- C56 H72 Co8 N8 O40 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0611","0.0465","","","0.1421","0.1833","","","","","","1.201","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214644","14.0511","0.0008","14.0511","0.0008","22.6054","0.0016","90","","90","","120","","3865.1","0.4","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C114.96 H129.96 B12 Cu12 F48 N39 O0.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0273","0.0272","","","0.0722","0.0723","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214645","14.448","0.014","14.448","0.014","21.25","0.02","90","","90","","120","","3842","6","119","2","119","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C108.99 H126 Cl12 Cu12 N36 O48.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0574","0.0494","","","0.1252","0.1293","","","","","","1.122","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214646","14.3797","0.0015","14.3797","0.0015","23.083","0.003","90","","90","","120","","4133.5","0.8","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C37 H30 Cu4 F24 N14 O3 P4 -","- C37 H35.94 Cu4 F24 N14 O3 P4 -","- C111 H107.82 Cu12 F72 N42 O9 P12 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0639","0.0567","","","0.1198","0.1231","","","","","","1.076","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214647","12.9479","0.0009","12.9479","0.0009","40.274","0.003","90","","90","","90","","6751.9","0.8","120","1","120","1","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C48 H56 B4 Cu4 F16 N16 O8 -","- C48 H44 B4 Cu4 F16 N16 O8 -","- C192 H176 B16 Cu16 F64 N64 O32 -","4","0.25","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.71073","MoKα","","0.0442","0.042","","","0.1157","0.1179","","","","","","1.046","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214648","21.3405","0.0005","30.1083","0.0006","30.8273","0.0007","90","","90","","90","","19807.3","0.8","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C8H4O4)8","","","- C240 H256 Cl4 Co16 N4 O48 S16 -","- C224 H208 Cl4 Co16 O48 S16 -","- C448 H416 Cl8 Co32 O96 S32 -","2","0.125","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.1248","0.0797","","","0.2152","0.2458","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214649","30.1467","0.0013","30.1467","0.0013","21.2135","0.0013","90","","90","","90","","19279.3","1.7","100","2","100","2","","","","","","","","7","I 4/m m m","-I 4 2","139","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C7NH3O4)8","","","- C232 H248 Cl4 Co16 N12 O48 S16 -","- C216 H200 Cl4 Co16 N8 O48 S16 -","- C432 H400 Cl8 Co32 N16 O96 S32 -","2","0.0625","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0823","0.0509","","","0.1235","0.1348","","","","","","1.06","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214650","11.6208","0.0008","17.0306","0.0011","19.802","0.0013","97.985","0.001","99.959","0.001","101.232","0.001","3725.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(((Co4Cl2(H2O)2(C40H44O4S4))((Co4Cl2(H2O)2 (C40H45O4S4))Cl) (C8H4O4)2","","","- C96 H105 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","1","0.5","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0856","0.0491","","","0.1124","0.1224","","","","","","0.879","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214651","8.8952","0.0008","12.8953","0.0012","11.1052","0.001","90","","96.686","0.002","90","","1265.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C32 H40 F24 N12 O8 P4 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0494","0.0356","","","0.0887","0.0954","","","","","","1.037","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214652","11.6815","0.0004","12.4142","0.0005","18.5652","0.0007","90","","100.784","0.001","90","","2644.71","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C72 H80 F24 N24 O40 S8 -","8","2","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0483","0.035","","","0.0816","0.088","","","","","","1.024","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214653","9.8176","0.0005","17.2416","0.0007","30.5102","0.0014","90","","90","","90","","5164.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C256 H240 B8 N24 O16 -","8","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0663","0.0438","","","0.1281","0.1697","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214654","5.036","0.0001","28.8208","0.0007","6.9016","0.0002","90","","109.029","0.001","90","","946.97","0.04","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0487","0.0464","","","0.1194","0.1331","","","","","","1.115","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214655","29.95","0.012","4.995","0.002","22.828","0.01","90","","90","","90","","3415","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0847","0.0658","","","0.1599","0.2089","","","","","","1.12","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214656","8.052","0.0016","10.412","0.002","10.455","0.002","85.62","0.03","83.17","0.03","80.56","0.03","857.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C36 H30 Cl2 N4 O4 S2 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0487","0.039","","","0.128","0.1508","","","","","","0.938","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214657","20.9182","0.0015","12.4873","0.0008","12.8222","0.0008","90","","90","","90","","3349.3","0.4","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl N2 O2.5 S -","- C18 H16 Cl N2 O2.4975 S -","- C144 H128 Cl8 N16 O19.98 S8 -","8","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0417","0.0364","","","0.0864","0.0888","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214658","10.889","0.002","12.359","0.003","12.803","0.003","90","","93.496","0.007","90","","1719.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O2.69 S -","- C18 H15 Cl N2 O2.694 S -","- C72 H60 Cl4 N8 O10.776 S4 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0649","0.047","","","0.1076","0.1155","","","","","","1.057","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214659","16.3642","0.0006","17.0748","0.0006","20.623","0.0007","90","","90.226","0.002","90","","5762.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 N5 O11 S4 Zn2 -","- C57 H59 N5 O11 S4 Zn2 -","- C228 H236 N20 O44 S16 Zn8 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0733","0.0525","","","0.1326","0.1425","","","","","","1.101","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214660","7.503","0.003","18.281","0.006","19.375","0.006","90","","100.47","0.015","90","","2613.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N O4 S2 Zn -","- C24 H35 N O4 S2 Zn -","- C96 H140 N4 O16 S8 Zn4 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.1697","0.0638","","","0.1349","0.1788","","","","","","0.952","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214661","17.1764","0.0008","22.0141","0.0012","9.9312","0.0005","90","","96.535","0.002","90","","3730.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N O4 S2 Zn -","- C16 H9 N O4 S2 Zn -","- C128 H72 N8 O32 S16 Zn8 -","8","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.0772","0.042","","","0.101","0.1102","","","","","","0.962","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214662","8.6855","0.0015","12.7109","0.0018","18.183","0.003","91.81","0.008","102.91","0.009","106.455","0.008","1866.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N4 O6 S2 Zn -","- C40 H36 N4 O6 S2 Zn -","- C80 H72 N8 O12 S4 Zn2 -","2","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.1068","0.0515","","","0.1012","0.1314","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214663","31.138","0.002","39.627","0.002","22.721","0.002","90","","121.737","0.002","90","","23843","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C201 H257 N15 O32 S12 Zn6 -","- C200.475 H257 N15 O32 S12 Zn6 -","- C801.9 H1028 N60 O128 S48 Zn24 -","4","0.5","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0876","0.0542","","","0.1488","0.1611","","","","","","1.078","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214664","12.03","0.02","12.18","0.02","15.34","0.03","97.25","0.03","102.28","0.03","110.37","0.03","2009","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0907","0.0639","","","0.1561","0.1745","","","","","","1.071","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214665","27.702","0.003","21.936","0.003","14.7045","0.0015","90","","91.589","0.002","90","","8932.1","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Cu2 Mo12 N12 O61 Si -","- C48 H46 Cu2 Mo12 N12 O61 Si -","- C192 H184 Cu8 Mo48 N48 O244 Si4 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.1128","0.0672","","","0.1668","0.1841","","","","","","1.08","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214666","27.885","0.003","21.858","0.003","14.8631","0.0017","90","","90.45","0.002","90","","9058.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H78 Cu2 N12 O58 Si W12 -","- C48 H46 Cu2 N12 O58 Si W12 -","- C192 H184 Cu8 N48 O232 Si4 W48 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0901","0.0488","","","0.1109","0.1226","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214667","11.3637","0.0009","12.9558","0.0011","16.8671","0.0014","100.639","0.001","108.695","0.001","91.221","0.001","2303.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0431","0.0396","","","0.1024","0.1047","","","","","","1.097","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214668","11.38","0.002","13.015","0.002","16.866","0.003","101.322","0.002","108.603","0.002","90.544","0.002","2314.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0552","0.0405","","","0.0987","0.1078","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214669","9.851","0.004","14.822","0.006","20.233","0.009","73.448","0.005","82.987","0.005","77.721","0.005","2761","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0763","0.0536","","","0.1271","0.1395","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214670","9.8257","0.0014","14.79","0.002","20.182","0.003","73.386","0.002","82.825","0.002","77.75","0.002","2740","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.078","0.0435","","","0.0956","0.1086","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214671","9.8116","0.0007","14.7661","0.001","20.1753","0.0014","73.213","0.001","82.541","0.001","77.748","0.001","2727.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.048","0.0338","","","0.0789","0.0848","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214672","9.9176","0.0008","32.983","0.003","12.9111","0.0009","90","","90","","90","","4223.4","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Gd N2 O10 -","- C13 H8 Br2 Cu2 Gd N2 O10 -","- C104 H64 Br16 Cu16 Gd8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.115","0.062","","","0.1116","0.1268","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214673","9.8237","0.0017","32.797","0.006","12.751","0.002","90","","90","","90","","4108.2","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Er N2 O10 -","- C13 H8 Br2 Cu2 Er N2 O10 -","- C104 H64 Br16 Cu16 Er8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1221","0.0868","","","0.1879","0.2021","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214674","18.034","0.002","15.374","0.002","7.5997","0.001","90","","94.181","0.001","90","","2101.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br3 Cu3 N2 O7 Tb -","- C14 H11 Br3 Cu3 N2 O7 Tb -","- C56 H44 Br12 Cu12 N8 O28 Tb4 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.08","0.0714","","","0.1971","0.2016","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214675","16.4842","0.0017","9.8497","0.001","17.499","0.0018","90","","100.952","0.002","90","","2789.5","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Br7 Cu7 Er2 N6 O16 -","- C36 H24 Br7.0002 Cu7 Er2 N6 O16 -","- C72 H48 Br14.0004 Cu14 Er4 N12 O32 -","2","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1029","0.052","","","0.1389","0.1626","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214676","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Cu3 Gd N3 O9 -","- C18 H12 Cl3 Cu3 Gd N3 O9 -","- C72 H48 Cl12 Cu12 Gd4 N12 O36 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0601","0.0433","","","0.0991","0.1084","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214677","6.4001","0.0003","17.2148","0.0009","18.6406","0.0009","90","","90","","90","","2053.75","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cd3 O20 -","- C12 H16 Cd3 O20 -","- C48 H64 Cd12 O80 -","4","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0177","0.0174","","","0.04","0.0402","","","","","","1.058","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214678","13.7005","0.0014","15.6523","0.0016","9.4417","0.001","90","","90","","90","","2024.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H42 Cd6 O39 -","- C16 H42 Cd6 O39 -","- C32 H84 Cd12 O78 -","2","0.5","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0472","0.0431","","","0.0935","0.095","","","","","","1.054","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214679","7.6393","0.0008","11.5121","0.0012","9.0174","0.001","90","","99.305","0.001","90","","782.59","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 Cd2 O16 -","- C8 H16 Cd2 O16 -","- C16 H32 Cd4 O32 -","2","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0197","0.0184","","","0.0414","0.042","","","","","","1.013","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214680","5.3463","0.0002","11.3075","0.0005","19.94","0.001","90","","98.087","0.003","90","","1193.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.1098","0.0461","","","0.1014","0.1285","","","","","","0.966","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214681","5.1973","0.0003","7.085","0.0004","16.4114","0.001","90","","101.233","0.004","90","","592.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0524","0.0376","","","0.0896","0.0968","","","","","","1.072","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214682","5.2831","0.0004","11.2901","0.0009","19.8654","0.0017","90","","98.2809","0.0017","90","","1172.55","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0485","0.0361","","","0.0876","0.094","","","","","","1.024","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214683","5.1578","0.0004","7.0249","0.0005","16.2192","0.0011","90","","100.728","0.005","90","","577.4","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0535","0.0384","","","0.0896","0.0985","","","","","","1.042","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214684","30.4423","0.0012","12.394","0.0004","21.4045","0.0008","90","","128.822","0.001","90","","6292","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N26 O28 -","- C54 H80 N26 O28 -","- C216 H320 N104 O112 -","4","0.5","","Sun, Xuzhuo; Li, Bo; Xia, Chunlan; Zhou, Xiaohai; Zhang, Haibo","“Liquid-like” type (COO−)2(H2O)10 anion water clusters in three-dimensional supramolecular structure of cucurbit[6]uril","CrystEngComm","2012","14","24","8525","","10.1039/c2ce25444a","","","0.71073","MoKα","","0.0789","0.0635","","","0.1831","0.1949","","","","","","1.042","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214685","20.512","0.005","9.9435","0.0019","26.994","0.005","90","","101.945","0.011","90","","5387","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(PIN))-dioxane-H2O","[Co(L)(PIN)]-dioxane-H2O","","- C28 H26 Co N4 O8 -","- C27.998 H25.996 Co N4 O7.999 -","- C223.984 H207.968 Co8 N32 O63.992 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0523","0.0435","","","0.1019","0.1058","","","","","","1.052","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214686","20.57","0.004","9.901","0.002","27.211","0.008","90","","108.526","0.009","90","","5255","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(DPE))-1/2(DPE)","[Co(L)(DPE)]-1/2(DPE)","","- C31 H22 Co N4 O4 -","- C31 H22 Co N4 O4 -","- C248 H176 Co8 N32 O32 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0527","0.0438","","","0.1126","0.117","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214687","52.349","0.008","20.421","0.004","9.9111","0.0015","90","","90","","90","","10595","3","200","","200","","","","","","","","","5","F d d 2","F 2 -2d","43","(Co(L)(BPE))-4(H2O)","[Co(L)(BPE)]-4(H2O)","","- C25 H27 Co N3 O8 -","- C25 H19 Co N3 O8.001 -","- C400 H304 Co16 N48 O128.016 -","16","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.037","0.0341","","","0.0879","0.0889","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214688","23.7772","0.0014","6.8025","0.0004","13.4175","0.0008","90","","104.907","0.001","90","","2097.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0698","0.0619","","","0.1558","0.1624","","","","","","1.067","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214689","8.712","0.0007","10.1166","0.0008","10.2478","0.0008","90.241","0.001","107.133","0.001","92.433","0.001","862.21","0.12","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.049","0.0443","","","0.1177","0.1215","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214690","11.1508","0.0007","7.3171","0.0005","24.5176","0.0016","90","","90","","90","","2000.4","0.2","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H18 F6 O4 -","- C23 H18 F6 O4 -","- C92 H72 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0436","0.0383","","","0.0981","0.1017","","","","","","1.051","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214691","11.2984","0.001","7.2275","0.0006","24.573","0.002","90","","90","","90","","2006.6","0.3","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl F6 O4 -","- C22 H15 Cl F6 O4 -","- C88 H60 Cl4 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0475","0.0432","","","0.1037","0.1063","","","","","","1.089","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214692","15.209","0.007","15.992","0.008","18.104","0.009","74.828","0.007","74.684","0.007","66.386","0.007","3830","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1872","0.1136","","","0.2784","0.3242","","","","","","1.047","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214693","15.261","0.003","16.096","0.003","18.167","0.004","74.56","0.03","74.7","0.03","66.06","0.03","3869.5","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H112 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.0827","0.0612","","","0.15","0.1608","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214694","15.2519","0.0015","16.1068","0.0016","18.1966","0.0018","74.531","0.001","74.733","0.001","66.33","0.001","3883.5","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H108 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1166","0.0652","","","0.1589","0.1887","","","","","","1.095","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214695","15.2219","0.0015","16.0271","0.0016","18.164","0.0019","74.681","0.002","74.614","0.002","66.136","0.001","3844.9","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1013","0.06","","","0.1583","0.1807","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214696","15.621","0.004","17.01","0.004","18.068","0.005","63.185","0.004","67.472","0.004","76.774","0.004","3948.6","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1988","0.0884","","","0.1929","0.2553","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214697","15.705","0.003","17.062","0.003","18.009","0.004","63.48","0.03","67.83","0.03","77.24","0.03","3990.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1565","0.0925","","","0.2472","0.2993","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214698","14.917","0.003","16.481","0.003","17.669","0.003","84.39","0.03","83.8","0.03","65.04","0.03","3908.6","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1443","0.0935","","","0.2589","0.3003","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214699","3.7358","0.0007","38.823","0.008","16.826","0.004","90","","95.27","0.03","90","","2430","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 Cl2 Cu2 N2 -","- C12 H8 Cl2 Cu2 N2 -","- C96 H64 Cl16 Cu16 N16 -","8","2","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1266","0.0551","","","0.1113","0.1459","","","","","","1.082","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214700","10.679","0.002","9.667","0.0019","14.845","0.003","90","","106.97","0.03","90","","1465.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and salicylic acid cocrystal","cocrystal of ethenzamide with salicylic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0845","0.0731","","","0.1845","0.195","","","","","","1.176","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214701","7.7402","0.0015","8.3181","0.0017","13.216","0.003","76.02","0.03","79.85","0.03","84.69","0.03","811.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","","- C16 H15 Cl N2 O6 -","- C16 H15 Cl N2 O6 -","- C32 H30 Cl2 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.072","0.0632","","","0.1588","0.166","","","","","","1.176","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214702","13.774","0.003","14.911","0.003","8.0828","0.0016","90","","102.87","0.03","90","","1618.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 ethenzamide and vanillic acid cocrystal","cocrystal of ethenzamide with vanillic acid","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0832","0.0737","","","0.1786","0.1861","","","","","","1.199","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214703","9.057","0.0018","32.685","0.007","8.1857","0.0016","90","","93.39","0.03","90","","2419","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","","- C25 H29 N3 O6 -","- C25 H29 N3 O6 -","- C100 H116 N12 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.1159","0.0864","","","0.179","0.1969","","","","","","1.192","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214704","9.4871","0.0019","6.4682","0.0013","23.703","0.005","90","","98.65","0.03","90","","1438","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and 4-hydroxybenzoic acid","cocrystal of ethenzamide with 4-hydroxybenzoic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0683","0.0598","","","0.1481","0.155","","","","","","1.123","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214705","8.2154","0.0016","8.4654","0.0017","9.3991","0.0019","70.3","0.03","71.82","0.03","65.97","0.03","550.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:0.5 ethenzamide and fumaric acid cocrystal","cocrystal of ethenzamide with fumaric acid","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0827","0.0763","","","0.1899","0.196","","","","","","1.154","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214706","9.731","0.0019","11.7","0.002","13.496","0.003","77.46","0.03","81.25","0.03","68.07","0.03","1387.1","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0309","0.0263","","","0.0626","0.0653","","","","","","1.042","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214707","11.09","0.002","7.422","0.003","22.999","0.002","90","","92.998","0.004","90","","1890.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","2","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71073","MoKα","","0.0702","0.043","","","0.0938","0.1164","","","","","","1.023","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214708","19.434","0.005","5.479","0.005","17.999","0.005","90","0.005","92.686","0.005","90","0.005","1914.4","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","1","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0597","0.0462","","","0.1432","0.1668","","","","","","1.059","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214709","16.667","0.005","22.086","0.005","14.712","0.005","90","0.005","119.395","0.005","90","0.005","4718","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Ag2 Cl2 N8 O8 -","- C50 H36 Ag2 Cl2 N8 O8 -","- C200 H144 Ag8 Cl8 N32 O32 -","4","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1095","0.0435","","","0.0839","0.1078","","","","","","0.998","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214710","12.745","0.005","13.971","0.005","21.091","0.005","101.276","0.005","93.521","0.005","114.371","0.005","3312.1","1.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1054","0.0574","","","0.157","0.1886","","","","","","1.038","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214711","16.2938","0.0004","16.3581","0.0003","16.329","0.0004","90","","90","","90","","4352.26","0.17","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C31 H106 N Na5 O55 P4 -","- C31 H105.98 N Na5 O55 P4 -","- C62 H211.96 N2 Na10 O110 P8 -","2","0.5","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.0875","0.0749","","","0.2006","0.2066","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214712","16.1842","0.0004","16.1842","","31.2772","0.0007","90","","90","","90","","8192.4","0.3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H115 N4 Na9 O56 P4 -","- C41 H115 N4 Na9 O56 P4 -","- C164 H460 N16 Na36 O224 P16 -","4","0.25","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.1222","0.0475","","","0.0966","0.104","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214713","14.8815","0.0004","33.7011","0.001","9.4872","0.0002","90","","90","","90","","4758","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin hexahydrate","cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate","","- C36 H72 O36 -","- C36 H72 O36 -","- C144 H288 O144 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.71073","MoKα","","0.0749","0.0498","","","0.1101","0.1245","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214714","14.657","0.005","34.253","0.014","9.217","0.004","90","","90","","90","","4627","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin 6.8-hydrate","cyclohexaamylose 6.8-hydrate, cyclomaltohexaose 6.8-hydrate","","- C36 H73.6 O36.8 -","- C36 H70 O36.8 -","- C144 H280 O147.2 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.5","synchrotron","","0.0976","0.0688","","","0.1606","0.1799","","","","","","1.056","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214715","9.2","0.003","9.208","0.003","9.269","0.003","77.953","0.008","86.586","0.011","88.716","0.01","766.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10.5 Al3 N O14 P3 -","- C4 H10.5 Al3 N O14 P3 -","- C8 H21 Al6 N2 O28 P6 -","2","1","","Wu, Jinxiong; Zhao, Huiru; Li, Niu; Luo, Qianqian; He, Chunqian; Guan, Naijia; Xiang, Shouhe","Fluorine-free crystallization of triclinic AlPO4-34","CrystEngComm","2012","14","24","8671","","10.1039/c2ce26335a","","","0.71073","MoKα","","0.035","0.0275","","","0.0827","0.0842","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214716","12.494","0.0006","7.5099","0.0004","22.6355","0.0011","90","","90","","90","","2123.86","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl2 Cu N4 O2 -","- C6 H10 Cl2 Cu N4 O2 -","- C48 H80 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0558","0.0302","","","0.0601","0.0626","","","","","","0.848","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214717","10.0366","0.0007","9.1255","0.0007","10.2985","0.0007","90","","95.832","0.005","90","","938.35","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 O4 -","- C8 H7 Cu N3 O4 -","- C32 H28 Cu4 N12 O16 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","1.54184","CU-Kα","","0.033","0.031","","","0.083","0.084","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214718","9.9258","0.0002","12.0698","0.0003","20.1039","0.0006","90","","97.815","0.003","90","","2386.13","0.11","294","0.1","294","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu N6 O6 -","- C22 H20 Cu N6 O6 -","- C88 H80 Cu4 N24 O24 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0919","0.0508","","","0.096","0.1092","","","","","","1.031","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214719","7.6075","0.0002","9.9472","0.0004","20.8858","0.0008","81.235","0.003","82.268","0.003","72.818","0.003","1485.61","0.09","295.5","0.1","295.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","1","0.5","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.044","0.0374","","","0.0991","0.1032","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214720","8.388","0.002","9.738","0.002","9.873","0.003","108.791","0.004","104.892","0.003","107.59","0.003","669.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0489","0.0441","","","0.1101","0.1133","","","","","","1.07","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214721","6.8644","0.001","10.5393","0.0016","13.217","0.002","100.562","0.002","104.377","0.002","105.7","0.002","858.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.034","0.0325","","","0.0847","0.0857","","","","","","1.048","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214722","9.913","0.002","19.061","0.004","17.668","0.004","90","","90","","90","","3338.4","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Mn N6 O15 -","- C30 H38 Mn N6 O15 -","- C120 H152 Mn4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0467","0.0366","","","0.087","0.0921","","","","","","1.068","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214723","10.1093","0.0011","19.192","0.002","17.7243","0.0019","90","","90","","90","","3438.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cd N6 O15 -","- C30 H38 Cd N6 O15 -","- C120 H152 Cd4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0335","0.0274","","","0.065","0.0679","","","","","","1.032","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214724","8.3646","0.0015","9.7689","0.0018","9.8696","0.0018","108.832","0.002","104.851","0.002","107.612","0.002","669.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0383","0.0369","","","0.0981","0.0995","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214725","8.4711","0.0014","9.7326","0.0015","9.8148","0.0016","107.072","0.002","104.858","0.002","107.854","0.002","680.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0415","0.0394","","","0.1121","0.1141","","","","","","1.074","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214726","8.5836","0.0018","9.657","0.002","9.767","0.002","106.032","0.002","104.659","0.002","107.781","0.003","688.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.031","0.0303","","","0.0763","0.0767","","","","","","1.088","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214727","9.16","0.003","13.013","0.004","13.708","0.004","109.512","0.004","103.074","0.004","91.406","0.004","1491.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O8 Zn -","- C32 H28 N4 O8 Zn -","- C64 H56 N8 O16 Zn2 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0669","0.0529","","","0.1308","0.1404","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214728","9.738","0.002","11.204","0.003","17.566","0.004","90","","102.186","0.003","90","","1873.3","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H46.5 Co N4 O17.25 -","- C32 H46.5 Co N4 O17.25 -","- C64 H93 Co2 N8 O34.5 -","2","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0631","0.0498","","","0.1132","0.1192","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214729","21.367","0.003","17.381","0.002","18.152","0.003","90","","110.306","0.002","90","","6322.3","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Mn N4 O12 -","- C32 H36 Mn N4 O11.75 -","- C256 H288 Mn8 N32 O94 -","8","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0696","0.0484","","","0.1191","0.1297","","","","","","1.021","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214730","10.461","0.005","12.371","0.006","16.497","0.008","78.244","0.006","77.713","0.006","74.766","0.006","1987.8","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cd N5 O13 -","- C38 H44 Cd N5 O13 -","- C76 H88 Cd2 N10 O26 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0437","0.0386","","","0.0938","0.0973","","","","","","1.037","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214731","6.904","0.005","10.602","0.007","13.212","0.009","99.906","0.009","104.443","0.009","105.949","0.009","869.9","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0434","0.0384","","","0.0932","0.0962","","","","","","1.025","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214732","10.9016","0.0015","22.154","0.003","13.0426","0.0019","90","","103.073","0.006","90","","3068.3","0.7","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","(Mn4(H2O)6(L2)(B1)2)-DMF-5(H2O)","[Mn4(H2O)6(L2)(B1)2]-DMF-5(H2O)","","- C52 H61 Mn4 N11 O28 -","- C52 H46 Mn4 N11 O28 -","- C104 H92 Mn8 N22 O56 -","2","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.1053","0.0916","","","0.2463","0.2605","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214733","13.4995","0.0019","12.4212","0.0014","40.153","0.006","90","","108.438","0.006","90","","6387.2","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ni2(B1)(L2)2)-13(H2O)","[Ni2(B1)(L2)2]-13(H2O)","","- C56 H78 N14 Ni2 O21 -","- C56 H56 N14 Ni2 O21.165 -","- C224 H224 N56 Ni8 O84.66 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0693","0.0513","","","0.1295","0.1406","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214734","13.543","0.002","12.338","0.003","40.267","0.007","90","","108.395","0.007","90","","6385","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co2(B1)(L2)2)-13(H2O)","[Co2(B1)(L2)2]-13(H2O)","","- C56 H78 Co2 N14 O21 -","- C56 H52 Co2 N14 O20.547 -","- C224 H208 Co8 N56 O82.188 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0839","0.0616","","","0.1592","0.1751","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214735","5.679","0.0008","5.8215","0.0008","10.7072","0.0014","103.502","0.012","93.207","0.011","107.717","0.012","324.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1-Dioxo-tetrahydro-1?6-thiopyran-3-one","","- C5 H8 O3 S -","- C5 H8 O3 S -","- C10 H16 O6 S2 -","2","1","","Shishkin, Oleg V.; Medvediev, Volodymyr V.; Zubatyuk, Roman I.; Shyshkina, Olena O.; Kovalenko, Nataliya V.; Volovenko, Julian M.","Role of different molecular fragments in formation of the supramolecular architecture of the crystal of 1,1-dioxo-tetrahydro-1λ6-thiopyran-3-one","CrystEngComm","2012","14","24","8698","","10.1039/c2ce26332g","","","0.7107","MoKα","","0.0513","0.0403","","","0.0877","0.0987","","","","","","1.055","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214736","12.29","0.005","13.7","0.005","13.798","0.005","108.736","0.005","92.793","0.005","114.369","0.005","1959.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","1","0.5","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.1081","0.0714","","","0.1442","0.1646","","","","","","1.086","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214737","12.453","0.005","13.018","0.005","17.071","0.005","95.864","0.005","91.454","0.005","100.003","0.005","2708.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Ag5 Mo12 N14 O41 P -","- C20 H16 Ag5 Mo12 N14 O41 P -","- C40 H32 Ag10 Mo24 N28 O82 P2 -","2","1","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.0721","0.0565","","","0.1549","0.1694","","","","","","1.072","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214738","16.537","0.003","14.403","0.002","7.9836","0.0011","90","","96.63","0.012","90","","1888.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Eu N6 O7 -","- C16 H13 Eu N6 O7 -","- C64 H52 Eu4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0462","","","0.1073","0.1112","","","","","","1.17","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214739","16.557","0.0009","14.4501","0.0007","8.0012","0.0004","90","","96.648","0.004","90","","1901.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Sm -","- C16 H13 N6 O7 Sm -","- C64 H52 N24 O28 Sm4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1129","0.1152","","","","","","1.173","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214740","16.5521","0.0008","14.3705","0.0006","7.963","0.0004","90","","96.36","0.004","90","","1882.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Tb -","- C16 H13 N6 O7 Tb -","- C64 H52 N24 O28 Tb4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0425","0.0393","","","0.0912","0.0943","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214741","16.512","0.003","14.256","0.002","7.9218","0.0011","90","","96.345","0.012","90","","1853.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Er N6 O7 -","- C16 H13 Er N6 O7 -","- C64 H52 Er4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0351","0.034","","","0.0874","0.0889","","","","","","1.009","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214742","16.619","0.009","14.447","0.008","8.019","0.004","90","","96.614","0.01","90","","1912.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Gd N6 O7 -","- C16 H13 Gd N6 O7 -","- C64 H52 Gd4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0644","0.0584","","","0.1241","0.1283","","","","","","1.194","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214743","22.461","0.004","8.7532","0.0018","15.471","0.003","90","","102.78","0.03","90","","2966.3","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Dy2 N4 O24 S2 -","- C18 H24 Co Dy2 N4 O24 S2 -","- C72 H96 Co4 Dy8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0286","0.0265","","","0.0646","0.0654","","","","","","1.004","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214744","15.418","0.003","8.6","0.0017","24.421","0.008","90","","115.58","0.02","90","","2920.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co Er2 N4 O24 S2 -","- C18 H24 Co Er2 N4 O24 S2 -","- C72 H96 Co4 Er8 N16 O96 S8 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0337","0.0275","","","0.059","0.0618","","","","","","0.99","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214745","22.434","0.019","8.783","0.007","15.504","0.012","90","","101.989","0.016","90","","2988","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Eu2 N4 O24 S2 -","- C18 H23.992 Co Eu2 N4 O23.996 S2 -","- C72 H95.968 Co4 Eu8 N16 O95.984 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0317","0.0261","","","0.0559","0.0572","","","","","","0.9","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214746","22.527","0.004","8.7652","0.0018","15.549","0.003","90","","102.57","0.03","90","","2996.6","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Gd2 N4 O24 S2 -","- C18 H24 Co Gd2 N4 O24 S2 -","- C72 H96 Co4 Gd8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0713","0.0501","","","0.0766","0.0817","","","","","","1.164","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214747","22.4616","0.0018","8.7319","0.0007","15.458","0.0012","90","","102.784","0.001","90","","2956.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Ho2 N4 O24 S2 -","- C18 H24 Co Ho2 N4 O24 S2 -","- C72 H96 Co4 Ho8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0222","0.0194","","","0.0458","0.047","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214748","22.799","0.015","8.68","0.02","15.656","0.014","90","","102.364","0.007","90","","3026","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 Pr2 S2 -","- C18 H24 Co N4 O24 Pr2 S2 -","- C72 H96 Co4 N16 O96 Pr8 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0246","0.0201","","","0.0432","0.0442","","","","","","0.92","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214749","22.805","0.006","8.53","0.002","15.48","0.005","90","","102.424","0.005","90","","2940.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 S2 Tb2 -","- C18 H24 Co N4 O24 S2 Tb2 -","- C72 H96 Co4 N16 O96 S8 Tb8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0219","0.0203","","","0.052","0.0527","","","","","","1.039","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214750","18.5924","0.0008","18.5924","0.0008","17.9643","0.0009","90","","90","","120","","5377.9","0.4","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24 H24 N6 O14 Zn3 -","- C24 H5 N6 O14 Zn3 -","- C144 H30 N36 O84 Zn18 -","6","0.5","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0849","0.0699","","","0.1766","0.187","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214751","18.06","0.012","12.104","0.008","31.65","0.02","90","","90.48","0.015","90","","6918","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N3 O22 Zn5 -","- C39 H30 N3 O22 Zn5 -","- C156 H120 N12 O88 Zn20 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1403","0.1136","","","0.2915","0.3191","","","","","","0.994","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214752","12.906","0.004","12.606","0.004","27.737","0.009","90","","92.97","0.007","90","","4507","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O15 Zn3 -","- C18 H6 O15 Zn3 -","- C72 H24 O60 Zn12 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0908","0.0756","","","0.2221","0.2351","","","","","","1.005","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214753","31.171","0.012","12.186","0.004","27.629","0.011","90","","108.264","0.004","90","","9966","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 N6 O15 Zn3 -","- C28 H6 N4 O15 Zn3 -","- C224 H48 N32 O120 Zn24 -","8","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1055","0.0856","","","0.2601","0.2858","","","","","","0.968","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214754","3.783","0.0001","13.7734","0.0003","11.4497","0.0003","90","","96.218","0.003","90","","593.07","0.03","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C32 H16 N8 O4 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0399","0.0384","","","0.1005","0.1024","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214755","3.8062","0.0004","9.0241","0.0009","11.0195","0.0007","76.628","0.008","89.855","0.007","85.583","0.008","367.09","0.06","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H4 Cl Cu N2 O -","- C8 H4 Cl Cu N2 O -","- C16 H8 Cl2 Cu2 N4 O2 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0342","0.0324","","","0.0853","0.0871","","","","","","1.053","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214756","4.0152","0.0008","9.821","0.002","13.736","0.003","78.74","0.03","86.02","0.03","84.26","0.03","527.9","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 F4 -","- C30 H18 F4 -","- C30 H18 F4 -","1","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1147","0.061","","","0.1623","0.1885","","","","","","1.077","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214757","4.875","0.001","13.857","0.003","20.296","0.004","90","","92.85","0.03","90","","1369.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 F12 -","- C34 H18 F12 -","- C68 H36 F24 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.3116","0.0905","","","0.1588","0.2568","","","","","","0.934","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214758","7.7071","0.0015","30.672","0.006","5.2356","0.001","90","","94.83","0.03","90","","1233.3","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1178","0.0766","","","0.2154","0.2451","","","","","","1.01","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214759","10.3558","0.0005","26.56","0.0014","14.0029","0.0007","90","","107.368","0.003","90","","3675.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","","1.54184","CuKα","","0.0658","0.0523","","","0.1347","0.1454","","","","","","1.055","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214760","10.275","0.0003","10.275","0.0003","37.3096","0.001","90","","90","","90","","3938.98","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H60 N2 O4 -","- C44 H60 N2 O4 -","- C176 H240 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0827","0.0671","","","0.1589","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214761","25.4087","0.0012","12.1422","0.0005","15.9143","0.0007","90","","113.402","0.002","90","","4506","0.4","223","2","223","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N2 O7 -","- C46 H66 N2 O7 -","- C184 H264 N8 O28 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1048","0.0661","","","0.1741","0.2044","","","","","","1.038","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214762","26.531","0.005","8.089","0.0016","25.787","0.005","90","","114.46","0.03","90","","5037","2","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1039","0.0684","","","0.1509","0.1661","","","","","","1.05","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214763","14.993","0.0005","17.182","0.0006","20.278","0.0005","90","","104.334","0.002","90","","5061.2","0.3","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0997","0.054","","","0.1143","0.131","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214764","6.1165","0.0008","7.466","0.0012","12.9602","0.0017","86.758","0.005","76.883","0.004","70.706","0.005","543.91","0.13","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C20 H26 N2 O12 -","2","2","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0532","","","","0.146","","","","","","1.119","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214765","8.0038","0.0006","11.0971","0.0008","13.0242","0.0013","101.247","0.003","95.778","0.004","101.541","0.003","1099.83","0.16","250","","250","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0484","","","","0.2106","","","","","","1.028","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214766","8.0322","0.0006","11.0953","0.0008","13.0247","0.0009","100.127","0.0017","96.793","0.002","101.35","0.0018","1106.18","0.14","300","","300","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0492","","","","0.2223","","","","","","1.057","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214767","9.45","0.002","11.83","0.002","11.964","0.002","114.83","0.03","101.03","0.03","94.64","0.03","1171.8","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.0626","0.0417","","0.0741","0.071","0.0704","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214768","14.931","0.003","15.372","0.003","15.647","0.003","60.72","0.03","67.16","0.03","67.07","0.03","2796.3","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H60 N9 O12 -","- C63 H60 N9 O12 -","- C126 H120 N18 O24 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.0989","0.0515","","0.2117","0.1347","0.1299","","","","","","1.0472","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214769","7.301","0.0015","16.518","0.003","24.294","0.003","90","","98.53","0.03","90","","2897.4","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","2","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.1105","0.0576","","0.1087","0.0956","0.0928","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214770","10.6419","0.0003","12.6654","0.0004","22.1187","0.0006","90","","90","","90","","2981.25","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.1321","0.0593","","0.2451","0.1257","0.1134","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214771","6.9418","0.0011","7.9241","0.0011","16.6673","0.0019","82.282","0.01","82.029","0.011","66.661","0.011","830.5","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Hg I2 N3 O2 -","- C12 H11 Hg I2 N3 O2 -","- C24 H22 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0738","0.0617","","","0.1521","0.1611","","","","","","1.149","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7214772","6.7123","0.0006","13.9195","0.0017","26.783","0.003","90","","90","","90","","2502.4","0.5","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C24 H22 Cl2 Hg N6 O4 -","- C24 H22 Cl2 Hg N6 O4 -","- C96 H88 Cl8 Hg4 N24 O16 -","4","0.5","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0776","0.0616","","","0.181","0.1904","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214773","7.9158","0.0009","8.1142","0.0008","13.4426","0.0017","98.167","0.009","94.158","0.01","115.388","0.008","763.49","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 Hg N3 O2 -","- C12 H11 Br2 Hg N3 O2 -","- C24 H22 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0991","0.0942","","","0.1882","0.1987","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214774","7.9431","0.0007","8.9284","0.0008","12.9309","0.0012","93.369","0.007","97.228","0.007","104.449","0.007","877.1","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Hg I2 N3 O2 -","- C13 H13 Hg I2 N3 O2 -","- C26 H26 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.066","0.0598","","","0.1602","0.1669","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214775","7.7934","0.001","8.7382","0.0012","12.4967","0.0014","93.388","0.01","96.104","0.01","103.975","0.01","817.98","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br2 Hg N3 O2 -","- C13 H13 Br2 Hg N3 O2 -","- C26 H26 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0727","0.0626","","","0.1554","0.1629","","","","","","1.182","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214776","14.662","0.003","28.36","0.006","14.515","0.003","90","","114.78","0.03","90","","5480","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Hg N6 O4 -","- C26 H26 Cl2 Hg N6 O4 -","- C208 H208 Cl16 Hg8 N48 O32 -","8","2","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0719","0.0535","","","0.1089","0.1153","","","","","","1.147","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214777","5.0331","0.0003","33.007","0.002","5.5043","0.0003","90","","99.24","0.004","90","","902.55","0.09","155","2","155","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.033","0.0299","","","0.0678","0.0692","","","","","","1.352","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214778","36.447","0.007","5.012","0.001","17.294","0.004","90","","103.65","0.03","90","","3069.9","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","2","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.2143","0.2","","","0.4452","0.4524","","","","","","1.157","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214779","8.8992","0.0012","9.9071","0.0017","12.299","0.002","75.265","0.007","81.633","0.007","76.227","0.007","1014.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 Br N2 O3 -","- C19 H27 Br N2 O3 -","- C38 H54 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0987","0.0606","","","0.1685","0.1893","","","","","","1.095","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214780","8.5713","0.0011","9.9041","0.0011","11.2296","0.0014","97.717","0.004","108.25","0.004","101.874","0.004","865.48","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br N2 O3 -","- C16 H21 Br N2 O3 -","- C32 H42 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0555","0.04","","","0.1137","0.1286","","","","","","0.888","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214781","24.24","0.005","5.021","0.001","17.387","0.003","90","","91.28","0.03","90","","2115.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 N2 O3 -","- C22 H34 N2 O3 -","- C88 H136 N8 O12 -","4","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.1305","0.1295","","","0.4097","0.4101","","","","","","1.047","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214782","14.926","0.003","29.517","0.006","15.957","0.003","90","","116.34","0.03","90","","6300","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 Br4 Cl3 N4 O8 -","- C65 H65 Br4 Cl3 N4 O8 -","- C260 H260 Br16 Cl12 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1263","0.0749","","","0.1699","0.1998","","","","","","1.024","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214783","13.645","0.001","35.308","0.003","13.891","0.001","90","","96.576","0.004","90","","6648.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H69 Br4 Cl5 N4 O8 -","- C66.5 H69 Br4 Cl5 N4 O8 -","- C266 H276 Br16 Cl20 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1775","0.0898","","","0.2198","0.287","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214784","14.329","0.0003","16.2799","0.0004","17.1585","0.0005","73.013","0.001","68.37","0.001","87.773","0.001","3547.78","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H67 Br4 Cl9 N4 O8 -","- C67 H67 Br4 Cl9 N4 O8 -","- C134 H134 Br8 Cl18 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0585","0.0533","","","0.1383","0.1428","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214785","13.0274","0.0004","15.5167","0.0005","17.6396","0.0007","77.702","0.002","75.161","0.002","68.214","0.002","3172.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H71 Br4 N O8 -","- C70 H71 Br4 N O8 -","- C140 H142 Br8 N2 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0602","0.0462","","","0.1088","0.1186","","","","","","1.041","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214786","18.7558","0.0011","10.1597","0.0004","18.8355","0.0012","90","","104.734","0.006","90","","3471.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","acetylacetonatochlorobis(morpholine)copper(II)","","- C13 H25 Cl Cu N2 O4 -","- C13 H25 Cl Cu N2 O4 -","- C104 H200 Cl8 Cu8 N16 O32 -","8","2","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1103","0.0821","","","0.2234","0.2296","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214787","6.8963","0.0002","11.7384","0.0003","13.5638","0.0003","82.211","0.002","84.292","0.005","73.527","0.003","1041.07","0.05","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","benzoylacetonatochlorobis(morpholine)copper(II)","","- C18 H29 Cl Cu N2 O5 -","- C18 H29 Cl Cu N2 O5 -","- C36 H58 Cl2 Cu2 N4 O10 -","2","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0428","0.0318","","","0.0818","0.0847","","","","","","1.024","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214788","13.5493","0.0006","11.3606","0.0004","13.7432","0.0006","90","","92.171","0.004","90","","2113.95","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzoylacetonatonitratobis(morpholine)copper(II)","","- C18 H27 Cu N3 O7 -","- C18 H27 Cu N3 O7 -","- C72 H108 Cu4 N12 O28 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0657","0.0365","","","0.0761","0.0789","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214789","11.1998","0.001","17.0668","0.001","8.4726","0.0006","90","","102.461","0.008","90","","1581.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","(1,3-diphenyl-1,3-propanedionato)aquabis(morpholine)copper(II) chloride - morpholinium chloride","","- C27 H41 Cl2 Cu N3 O6 -","- C27 H41 Cl2 Cu N3 O6 -","- C54 H82 Cl4 Cu2 N6 O12 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0616","0.0511","","","0.13","0.133","","","","","","1.006","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214790","12.0852","0.0003","9.7689","0.0002","20.8357","0.0004","90","","91.745","0.002","90","","2458.7","0.09","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)chloroobis(morpholine)copper(II) monohydrate","","- C19 H39 Cl Cu N2 O5 -","- C19 H39 Cl Cu N2 O5 -","- C76 H156 Cl4 Cu4 N8 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0647","0.0437","","","0.1221","0.1277","","","","","","0.989","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214791","10.458","0.002","37.201","0.006","7.053","0.002","90","","108.72","0.02","90","","2598.8","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)thiocyanatobis(morpholine)copper(II)","","- C20 H37 Cu N3 O4 S -","- C20 H37 Cu N3 O4 S -","- C80 H148 Cu4 N12 O16 S4 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.2423","0.2156","","","0.5189","0.5347","","","","","","1.843","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214792","15.888","0.005","16.7","0.003","17.261","0.013","90","","113.85","0.06","90","","4189","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(1,3-diphenyl-1,3-propanedionato)chlorobis(morpholine)copper(II) - morpholinium chloride morpholine solvate hydrate","","- C74 H126 Cl3 Cu2 N11 O17 -","- C74 H118 Cl3 Cu2 N11 O17 -","- C148 H236 Cl6 Cu4 N22 O34 -","2","0.25","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1456","0.0837","","","0.2246","0.2405","","","","","","0.973","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214793","6.4957","0.0002","23.028","0.001","8.5679","0.0003","90","","102.451","0.004","90","","1251.47","0.08","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(1,3-diphenyl-1,3-propanedionato)thiocyanatobis(morpholine)copper(II)","","- C24 H29 Cu N3 O4 S -","- C24 H29 Cu N3 O4 S -","- C48 H58 Cu2 N6 O8 S2 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0535","0.0328","","","0.0889","0.0918","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214794","10.2419","0.0007","13.1084","0.0011","16.9868","0.0012","90","","90","","90","","2280.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,1,1-trifluoroacetylacetonatochlorobis(morpholine)copper(II) - morpholine solvate","","- C17 H31 Cl Cu F3 N3 O5 -","- C17 H31 Cl Cu F3 N3 O5 -","- C68 H124 Cl4 Cu4 F12 N12 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.085","0.0461","","","0.0959","0.1023","","","","","","0.839","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214795","7.0715","0.0014","9.0663","0.0018","17.098","0.003","92.53","0.03","101.12","0.03","102.62","0.03","1045.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 Cl N2 -","- C11 H13 Cl N2 -","- C44 H52 Cl4 N8 -","4","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0593","0.0435","","","0.1332","0.1501","","","","","","1.08","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214796","6.9883","0.0014","17.034","0.003","12.698","0.003","90","","99.88","0.03","90","","1489.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl N2 O S -","- C13 H19 Cl N2 O S -","- C52 H76 Cl4 N8 O4 S4 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0757","0.0452","","","0.1211","0.1349","","","","","","0.937","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214797","17.755","0.004","7.4749","0.0015","18.786","0.004","90","","90","","90","","2493.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0873","0.0522","","","0.1345","0.1495","","","","","","1.044","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214798","24.339","0.005","7.2309","0.0014","18.639","0.004","90","","112.5","0.03","90","","3030.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.115","0.0592","","","0.1247","0.1442","","","","","","1.036","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214799","7.1192","0.0014","15.328","0.003","15.729","0.003","90","","90","","90","","1716.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O8 -","- C15 H22 N2 O8 -","- C60 H88 N8 O32 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.055","0.0483","","","0.1351","0.1391","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214800","16.1492","0.0014","15.1711","0.0013","26.937","0.002","90","","90","","90","","6599.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H54 N4 O18 Zn5 -","- C74 H54 N4 O18 Zn5 -","- C296 H216 N16 O72 Zn20 -","4","0.5","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0741","0.0426","","","0.0945","0.1115","","","","","","1.002","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214801","30.2764","0.0006","12.1038","0.0003","30.7311","0.0007","90","","96.377","0.001","90","","11192","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H38 N2 O17 Pb5 -","- C61 H38 N2 O17 Pb5 -","- C488 H304 N16 O136 Pb40 -","8","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0611","0.0368","","","0.0674","0.0742","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214802","8.9885","0.0003","18.7361","0.0006","7.8637","0.0003","90","","98.878","0.003","90","","1308.45","0.08","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Mn N2 O8 -","- C11 H12 Mn N2 O8 -","- C44 H48 Mn4 N8 O32 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0382","0.0314","","","0.0727","0.0766","","","","","","1.078","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214803","14.03","0.009","6.614","0.004","12.613","0.008","90","","103.62","0.008","90","","1137.5","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O5 Sr -","- C11 H8 N2 O5 Sr -","- C44 H32 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0964","0.0572","","","0.1367","0.1498","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214804","21.363","0.002","10.5184","0.0011","20.465","0.002","90","","90","","90","","4598.6","0.8","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H30 Cd2 N8 O11 -","- C47 H26 Cd2 N8 O11 -","- C188 H104 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0924","0.0516","","","0.1193","0.1391","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214805","9.4315","0.0011","20.99","0.003","20.452","0.002","90","","103.183","0.001","90","","3942.1","0.8","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O11 -","- C42 H28 Cd2 N8 O11 -","- C168 H112 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0521","0.0357","","","0.0834","0.0909","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214806","14.9469","0.0007","6.6581","0.0002","12.6986","0.0005","90","","103.505","0.005","90","","1228.8","0.09","290.5","","290.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O5 Sr -","- C12 H10 N2 O5 Sr -","- C48 H40 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0481","0.0346","","","0.0779","0.0836","","","","","","1.059","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214807","15.0195","0.0007","15.2813","0.0007","19.1307","0.001","103.351","0.004","91.289","0.004","93.269","0.004","4262.3","0.4","291.15","","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H69 Cd4 N15 O17 -","- C83 H69 Cd4 N15 O17 -","- C166 H138 Cd8 N30 O34 -","2","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0741","0.0432","","","0.0854","0.0996","","","","","","1.027","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214808","24.3529","0.0009","24.3529","0.0009","14.2468","0.001","90","","90","","120","","7317.3","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co1.5 N2 O8 -","- C12 H15 Co1.5 N2 O8 -","- C216 H270 Co27 N36 O144 -","18","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0745","0.0406","","","0.0983","0.1179","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214809","11.813","0.014","18","0.02","22.3","0.03","90","","97.925","0.01","90","","4696","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Cl Mn2 N6 O13 -","- C46 H41 Cl Mn2 N6 O13 -","- C184 H164 Cl4 Mn8 N24 O52 -","4","1","","Manna, Subal Chandra; Mistri, Soumen; Jana, Atish Dipankar","A rare supramolecular assembly involving ion pairs of coordination complexes with a host‒guest relationship: synthesis, crystal structure, photoluminescence and thermal study","CrystEngComm","2012","14","21","7415","","10.1039/c2ce25916h","","","0.71073","MoKα","","0.1354","0.1052","","","0.2084","0.2217","","","","","","1.235","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214810","16.2948","0.0003","16.2948","0.0003","19.3671","0.0006","90","","90","","120","","4453.42","0.18","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C168 H216 Cl12 Fe3 Mn6 N33 O24 -","3","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0662","0.071","","","","","","0.999","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214811","28.5554","0.0002","28.5554","0.0002","19.2155","0.0002","90","","90","","120","","13569.3","0.19","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C504 H648 Br36 Fe9 Mn18 N99 O72 -","3","1","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0701","0.0791","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214812","16.4076","0.0003","10.4683","0.0002","21.8806","0.0004","90","","119.305","0.001","90","","3277.25","0.11","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H86 Fe Mn2 N11 O13 -","- C60 H86.001 Fe Mn2 N11 O13 -","- C120 H172.002 Fe2 Mn4 N22 O26 -","2","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0516","0.035","","","0.0798","0.0877","","","","","","1.012","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214813","7.258","0.0009","8.4271","0.001","12.6094","0.0015","77.86","0.002","75.529","0.002","72.829","0.003","705.67","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O4 -","- C16 H12 F3 N O4 -","- C32 H24 F6 N2 O8 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0643","0.0578","","","0.1395","0.1432","","","","","","1.091","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214814","8.6037","0.0011","9.5432","0.0012","10.2702","0.0013","93.248","0.002","101.615","0.002","107.129","0.002","783.27","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O7 -","- C15 H16 Cl N O7 -","- C30 H32 Cl2 N2 O14 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0893","0.0784","","","0.2203","0.2274","","","","","","1.221","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214815","11.1151","0.0009","11.8964","0.0009","22.1546","0.0018","91.414","0.002","98.911","0.002","110.246","0.002","2705.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N4 O21 S3 -","- C56 H52 N4 O21 S3 -","- C112 H104 N8 O42 S6 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0998","0.0652","","","0.1352","0.1503","","","","","","1.035","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214816","10.1643","0.0011","10.1819","0.001","34.305","0.004","90","","95.067","0.003","90","","3536.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40.75 H39 N4 O6.75 -","- C40.75 H37 N4 O6.75 -","- C163 H148 N16 O27 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.1337","0.0861","","","0.2053","0.2338","","","","","","1.072","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214817","39.688","0.008","8.3626","0.0017","16.671","0.003","90","","97.19","0.03","90","","5489.5","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O4 -","- C34 H26 N4 O4 -","- C272 H208 N32 O32 -","8","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0987","0.0559","","","0.1242","0.1471","","","","","","1.018","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214818","8.8462","0.0001","9.6181","0.0001","18.7208","0.0001","84.621","0.001","85.074","0.001","81.72","0.001","1565.05","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1226","0.0677","","","0.1413","0.1715","","","","","","1.03","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214819","8.881","0.0004","14.2224","0.0007","14.3149","0.0006","114.149","0.002","97.447","0.002","100.481","0.004","1579.84","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0751","0.0506","","","0.118","0.1335","","","","","","1.046","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214820","10.5379","0.0007","11.538","0.0007","12.1818","0.0007","78.559","0.003","74.708","0.003","77.753","0.004","1380.16","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C66 H50 N10 O8 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0982","0.0603","","","0.1393","0.1622","","","","","","1.041","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214821","14.0456","0.0007","19.2718","0.0008","11.4694","0.0005","90","","94.781","0.002","90","","3093.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 O5 -","- C36 H32 N6 O5 -","- C144 H128 N24 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0985","0.0575","","","0.1253","0.1476","","","","","","1.047","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214822","12.4871","0.0005","16.7057","0.0007","14.7175","0.0007","90","","90.296","0.002","90","","3070.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N5 O5 -","- C33 H25 N5 O4 -","- C132 H100 N20 O16 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1001","0.0535","","","0.1242","0.1418","","","","","","0.981","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214823","12.4748","0.0005","16.6624","0.0005","14.8765","0.0006","90","","92.704","0.002","90","","3088.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 N10 O8 -","- C73 H58 N10 O8 -","- C146 H116 N20 O16 -","2","0.5","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1541","0.0952","","","0.1937","0.2194","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214824","13.2559","0.0004","16.6185","0.0006","13.9389","0.0006","90","","103.633","0.002","90","","2984.13","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 N5 O5 -","- C35 H31 N5 O5 -","- C140 H124 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0891","0.0551","","","0.1237","0.1441","","","","","","1.025","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214825","12.7568","0.0005","16.6186","0.0007","16.5266","0.0007","90","","124.487","0.003","90","","2887.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N5 O5 -","- C34 H29 N5 O5 -","- C136 H116 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1302","0.0732","","","0.1622","0.1939","","","","","","1.068","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214826","9.7193","0.0005","18.6564","0.0008","17.5185","0.0008","90","","92.741","0.002","90","","3172.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N5 O5 S -","- C35 H31 N5 O5 S -","- C140 H124 N20 O20 S4 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.097","0.0527","","","0.1109","0.1299","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214827","12.9687","0.0012","7.9248","0.0007","14.4847","0.0014","90","","106.222","0.001","90","","1429.4","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H38 Cl Co N4 O11 -","- C25 H38 Cl Co N4 O11 -","- C50 H76 Cl2 Co2 N8 O22 -","2","0.5","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0801","0.0607","","","0.1545","0.1687","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214828","17.6242","0.0012","11.8799","0.0008","11.8432","0.0008","90","","108.933","0.001","90","","2345.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C62 H112 Cl8 N16 Ni4 O46 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0609","0.0432","","","0.1175","0.1316","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214829","15.1068","0.0016","17.4396","0.0018","20.834","0.002","90","","92.055","0.001","90","","5485.3","1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C154 H232 Cl4 N44 Ni16 O30 S12 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.1957","0.0699","","","0.1671","0.264","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214830","27.539","0.0009","27.539","0.0009","13.4753","0.0008","90","","90","","90","","10219.6","0.8","273","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C70 H112 Cl2 Cu8 N22 O28 S6 -","- C69.996 H112 Cl2 Cu8 N21.996 O28 S5.996 -","- C279.984 H448 Cl8 Cu32 N87.984 O112 S23.984 -","4","0.25","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0934","0.079","","","0.2194","0.2401","","","","","","1.029","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214831","11.655","0.001","11.6654","0.0003","16.9859","0.0004","90","","90","","90","","2309.4","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-aminopyridinium_6-fluorosalicylate","4-aminopyridinium_6-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C96 H88 F8 N16 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0635","0.0496","","","0.116","0.125","","","","","","1.08","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214832","17.1666","0.0005","3.8501","0.0001","19.561","0.0004","90","","90","","90","","1292.85","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-aminopyridium_5-bromosalicylate_monohydrate","4-aminopyridium_5-bromosalicylate_monohydrate","","- C12 H13 Br N2 O4 -","- C12 H13 Br N2 O4 -","- C48 H52 Br4 N8 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0384","0.0282","","","0.0584","0.0629","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214833","4.4","0.005","18.068","0.005","8.581","0.005","90","","96.077","0.005","90","","678.3","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium 5-iodosalicylate monohydrate","4-aminopyridinium 5-iodosalicylate monohydrate","","- C12 H13 I N2 O4 -","- C12 H13 I N2 O4 -","- C24 H26 I2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0165","0.0162","","","0.0386","0.0388","","","","","","1.066","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214834","10.9737","0.0005","4.5752","0.0002","11.9808","0.0005","90","","96.809","0.003","90","","597.28","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium 3-nitrosalicylate","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0819","0.0587","","","0.1093","0.1219","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214835","15.1705","0.0007","4.6669","0.0002","19.6506","0.0008","90","","104.734","0.002","90","","1345.5","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_5-acetylaminosalicylate","4-aminopyridinium_5-acetylaminosalicylate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0741","0.0542","","","0.1083","0.1212","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214836","23.3169","0.0011","8.1015","0.0004","18.0588","0.0008","90","","110.986","0.002","90","","3185.1","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminopyridium_5-aminosalicylate_pyridine","4-aminopyridium_5-aminosalicylate_pyridine","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.1426","0.0879","","","0.1487","0.1762","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214837","11.9815","0.0005","7.9626","0.0002","12.4836","0.0005","90","","100.4","0.002","90","","1171.42","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-chlorosalicylate","4-aminopyridinium_5-chlorosalicylate","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0619","0.0527","","","0.115","0.1191","","","","","","1.103","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214838","4.4573","0.0005","17.317","0.002","8.484","0.0007","90","","97.333","0.007","90","","649.5","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium_5-chlorosalicylate_hydrate","4-aminopyridinium_5-chlorosalicylate_hydrate","","- C12 H13 Cl N2 O4 -","- C12 H13 Cl N2 O4 -","- C24 H26 Cl2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.102","0.0578","","","0.1126","0.1316","","","","","","0.992","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214839","10.7838","0.0004","8.5407","0.0002","12.1504","0.0005","90","","95.099","0.002","90","","1114.64","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-fluorosalicylate","4-aminopyridinium_5-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C48 H44 F4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0629","0.0437","","","0.1079","0.1198","","","","","","1.063","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214840","13.6431","0.0003","8.1006","0.0002","12.4428","0.0002","90","","112.279","0.001","90","","1272.49","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-iodosalicylate","4-aminopyridinium_5-iodosalicylate","","- C12 H11 I N2 O3 -","- C12 H11 I N2 O3 -","- C48 H44 I4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0258","0.0235","","","0.0515","0.0527","","","","","","1.096","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214841","18.657","0.001","8.6657","0.0005","10.9293","0.0005","90","","102.573","0.004","90","","1724.63","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridium_5-iodosalicylate_pyridine","4-aminopyridium_5-iodosalicylate_pyridine","","- C17 H16 I N3 O3 -","- C17 H16 I N3 O3 -","- C68 H64 I4 N12 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0579","0.0433","","","0.0817","0.0901","","","","","","1.112","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214842","21.8619","0.0015","15.0658","0.0009","3.9918","0.0003","90","","90","","90","","1314.77","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-aminopyridinium_5-methoxysalicylate_monohydrate","4-aminopyridinium_5-methoxysalicylate_monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0716","0.0472","","","0.1007","0.1128","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214843","13.5414","0.0003","15.0598","0.0002","13.0106","0.0002","90","","108.645","0.001","90","","2514.01","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-methylsalicylate","4-aminopyridinium_5-methylsalicylate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0553","0.0432","","","0.1003","0.1071","","","","","","1.029","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214844","3.7777","0.0001","12.5991","0.0005","25.0825","0.001","90","","90","","90","","1193.82","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminopyridinium 5-nitrosalicylate","4-aminopyridinium 5-nitrosalicylate","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0683","0.0525","","","0.1131","0.1218","","","","","","1.109","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214845","10.402","0.002","18.512","0.004","12.824","0.003","90","","100.298","0.003","90","","2429.6","0.9","293","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag3 B3 F12 N8 O4 -","- C36 H56 Ag3 B3 F12 N8 O4 -","- C72 H112 Ag6 B6 F24 N16 O8 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1107","0.0694","","","0.0869","0.0981","","","","","","1.097","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214846","13.6526","0.0014","17.5146","0.0017","19.2169","0.0019","90","","93.667","0.001","90","","4585.7","0.8","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H104 Ag5 B4 F16 N17 O6 -","- C73 H104 Ag5 B4 F16 N17 O6 -","- C146 H208 Ag10 B8 F32 N34 O12 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0921","0.0572","","","0.1241","0.1448","","","","","","1.017","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214847","23.97","0.03","15.082","0.016","13.04","0.014","90","","111.702","0.01","90","","4380","9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C144 H192 Ag10 B10 F40 N32 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1479","0.1228","","","0.2479","0.2669","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214848","23.966","0.003","15.116","0.002","13.0659","0.0018","90","","111.746","0.001","90","","4396.5","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C144 H192 Ag10 Cl10 N32 O40 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0935","0.0821","","","0.173","0.1815","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214849","3.642","0.0003","3.642","0.0003","11.814","0.002","90","","90","","90","","156.7","0.03","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Er O4 -","- Al Ca Er O4 -","- Al2 Ca2 Er2 O8 -","2","0.0625","","Zhu, Zhaojie; Zeng, Huiyi; Li, Jianfu; You, Zhenyu; Wang, Yan; Huang, Zixiang; Tu, Chaoyang","Growth, structure and spectral properties of a novel crystal CaErAlO4 for 2.7 μm lasers","CrystEngComm","2012","14","21","7423","","10.1039/c2ce26013a","","","0.71073","MoKα","","0.0313","0.0278","","","0.0596","0.0611","","","","","","1.093","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214850","8.4319","0.0013","11.4199","0.0018","12.3466","0.0019","115.41","0.006","95.966","0.007","100.016","0.007","1036","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0683","0.0441","","","0.0978","0.1062","","","","","","0.961","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214851","8.512","0.003","9.602","0.003","14.26","0.005","82.134","0.023","75.238","0.022","73.081","0.022","1075.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0651","0.041","","","0.0939","0.101","","","","","","1.032","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214852","8.2526","0.0008","11.0759","0.001","13.7895","0.0018","101.575","0.005","105.505","0.006","111.738","0.004","1063.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.047","0.0305","","","0.0629","0.0666","","","","","","0.959","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214853","8.216","0.0005","10.957","0.0007","13.7261","0.0009","67.227","0.004","74.686","0.004","68.598","0.004","1049.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C44 H36 Cl2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0851","0.0454","","","0.0928","0.1014","","","","","","0.871","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214854","8.467","0.0006","11.1895","0.0009","12.295","0.0009","114.729","0.004","96.555","0.004","98.491","0.004","1026.17","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0682","0.0417","","","0.0937","0.1025","","","","","","0.947","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214855","8.2304","0.0004","10.8476","0.0006","13.7358","0.0007","68.2669","0.0028","75.0863","0.0028","69.1073","0.0027","1053.11","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.062","0.038","","","0.0848","0.0928","","","","","","0.875","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214856","24.4459","0.0003","24.4459","0.0003","6.9701","0.0001","90","","90","","90","","4165.35","0.09","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C176 H144 F8 N24 O48 S8 -","8","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0998","0.044","","","0.0901","0.1058","","","","","","0.956","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214857","6.8637","0.0006","11.6363","0.0011","13.8047","0.0012","83.313","0.004","79.158","0.005","73.738","0.005","1037.17","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O6 S -","- C22 H20 N4 O6 S -","- C44 H40 N8 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.077","0.0476","","","0.1003","0.1137","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214858","8.828","0.0005","10.9297","0.0006","12.2953","0.0011","105.494","0.004","98.381","0.004","105.396","0.003","1071.81","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0481","0.0369","","","0.0926","0.0969","","","","","","1.028","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214859","19.768","0.017","6.917","0.006","31.56","0.03","90","","100.693","0.012","90","","4240","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C176 H144 Cl8 N24 O48 S8 -","8","2","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1874","0.1103","","","0.2314","0.2803","","","","","","1.094","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214860","10.8016","0.0003","20.9659","0.0006","9.2105","0.0002","90","","95.787","0.002","90","","2075.23","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0927","0.0568","","","0.117","0.1325","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214861","11.5454","0.0005","9.2118","0.0004","19.8419","0.0009","90","","102.438","0.002","90","","2060.74","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O7 S -","- C22 H19 N3 O7 S -","- C88 H76 N12 O28 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1301","0.0506","","","0.0839","0.1044","","","","","","0.956","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214862","8.0433","0.0007","11.0546","0.0008","13.8361","0.0011","99.6457","0.0038","106.649","0.0041","107.631","0.0042","1078.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0834","0.0519","","","0.112","0.1251","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214863","10.415","0.011","21.17","0.02","9.557","0.01","90","","100.053","0.013","90","","2075","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1437","0.0952","","","0.2475","0.2938","","","","","","1.044","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214864","9.1121","0.0011","9.9763","0.0013","11.9501","0.0016","78.5115","0.0045","86.2011","0.0044","88.3753","0.0045","1062.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O8 S -","- C22 H21 N3 O8 S -","- C44 H42 N6 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1032","0.0471","","","0.0923","0.107","","","","","","0.908","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214865","8.4985","0.0002","9.8813","0.0002","12.5408","0.0003","93.602","0.001","104.092","0.001","112.153","0.001","931.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","1","0.5","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0929","0.0562","","","0.1316","0.1493","","","","","","1.071","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214866","9.4317","0.0002","11.394","0.0003","20.4344","0.0004","90","","99.979","0.001","90","","2162.76","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C92 H84 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0881","0.052","","","0.1085","0.1255","","","","","","0.994","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214867","6.7753","0.0003","11.4738","0.0004","13.7702","0.0006","80.079","0.002","81.802","0.002","76.925","0.002","1021.12","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0498","0.0358","","","0.093","0.0985","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214868","9.5744","0.0012","10.4949","0.0016","12.5497","0.0016","66.362","0.005","73.077","0.004","75.292","0.005","1091.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71075","MoKα","","0.1177","0.0651","","","0.1345","0.1605","","","","","","1.033","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214869","11.519","0.002","12.573","0.002","21.345","0.004","85.877","0.003","76.069","0.004","74.179","0.004","2886.7","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0783","0.0578","","","0.1473","0.1572","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214870","11.4614","0.0019","12.537","0.002","21.337","0.003","86.035","0.003","76.034","0.003","74.011","0.003","2860.2","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0882","0.0603","","","0.143","0.1516","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214871","11.44","0.006","12.59","0.007","21.23","0.012","85.652","0.011","76.025","0.01","73.8","0.011","2849","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.177","0.1103","","","0.2068","0.2197","","","","","","1.065","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214872","11.439","0.003","12.594","0.004","21.357","0.006","85.723","0.006","75.892","0.006","73.965","0.007","2867.8","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1298","0.071","","","0.1493","0.1627","","","","","","1.054","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214873","11.3868","0.0011","12.5373","0.0012","21.279","0.002","85.419","0.002","75.718","0.002","74.056","0.002","2830.4","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1062","0.0709","","","0.1464","0.1566","","","","","","1.045","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214874","11.383","0.005","12.571","0.006","21.312","0.01","85.704","0.008","75.841","0.009","73.988","0.009","2842","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.115","0.0784","","","0.1686","0.1795","","","","","","1.021","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214875","11.3793","0.001","12.5601","0.0011","21.3419","0.0018","85.533","0.002","75.628","0.002","74.182","0.002","2842.8","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0825","0.0621","","","0.1524","0.1581","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214876","11.363","0.006","12.518","0.005","21.355","0.004","85.392","0.006","75.32","0.003","74.299","0.003","2828.6","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1421","0.1045","","","0.2307","0.2432","","","","","","1.031","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214877","11.33","0.002","12.531","0.002","21.364","0.004","85.211","0.003","75.145","0.003","74.548","0.003","2825.5","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1197","0.0876","","","0.1728","0.181","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214878","12.313","0.002","22.626","0.005","34.702","0.007","90","","90","","90","","9668","3","298","2","298","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C320 H224 Cl24 N96 O176 Sm8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.0787","0.0606","","","0.2122","0.2352","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214879","12.284","0.002","22.733","0.004","34.4","0.006","90","","90","","90","","9606","3","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C320 H224 Cl24 Eu8 N96 O176 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0512","0.0499","","","0.1629","0.1651","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214880","12.1678","0.0005","22.691","0.0008","34.3938","0.0014","90","","90","","90","","9496.1","0.6","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C320 H224 Cl24 N96 O176 Tb8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0525","0.0493","","","0.1634","0.1701","","","","","","0.981","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214881","13.573","0.0018","11.7732","0.0016","12.9248","0.0017","90","","117.653","0.001","90","","1829.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O14 S Tb Zn -","- C10 H16 N3 O14 S Tb Zn -","- C40 H64 N12 O56 S4 Tb4 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.031","0.0258","","","0.0572","0.0626","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214882","7.9573","0.0003","16.6249","0.0005","20.7201","0.0007","90","","96.423","0.003","90","","2723.84","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C80 H64 Cl32 K8 O24 -","8","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0567","","","","0.1576","","","","","","1.126","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214883","4.0571","0.0001","16.5931","0.0004","20.7334","0.0004","90","","96.925","0.002","90","","1385.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C40 H32 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0387","","","","0.1033","","","","","","1.016","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214884","3.7932","0.0002","16.7161","0.0006","8.8555","0.0003","90","","100.817","0.004","90","","551.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cl4 N2 O2 -","- C8 H7 Cl4 N2 O2 -","- C16 H14 Cl8 N4 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0703","","","","0.1931","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214885","6.919","0.003","21.908","0.01","14.415","0.005","90","","112.974","0.017","90","","2011.7","1.5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 N4 O P S -","- C18 H15 F6 N4 O P S -","- C72 H60 F24 N16 O4 P4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1414","0.0752","","","0.1866","0.2124","","","","","","0.848","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214886","9.325","0.008","10.985","0.009","11.008","0.009","99.61","0.011","105.84","0.01","109.486","0.012","980.4","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Br Cl N4 O6 S -","- C17 H14 Br Cl N4 O6 S -","- C34 H28 Br2 Cl2 N8 O12 S2 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.124","0.0782","","","0.2234","0.2969","","","","","","1.061","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214887","15.333","0.011","8.37","0.008","17.857","0.013","90","","111.57","0.03","90","","2131","3","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br Cl N4 O5 S -","- C19 H16 Br Cl N4 O5 S -","- C76 H64 Br4 Cl4 N16 O20 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0614","0.0487","","","0.1275","0.133","","","","","","0.987","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214888","7.562","0.002","14.037","0.004","22.806","0.007","90","","105.568","0.004","90","","2332","1.2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Hg I2 N4 O2 S -","- C19 H18 Hg I2 N4 O2 S -","- C76 H72 Hg4 I8 N16 O8 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0589","0.0345","","","0.063","0.0675","","","","","","0.79","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214889","7.6661","0.0011","24.296","0.003","14.8623","0.0016","90","","116.268","0.005","90","","2482.3","0.6","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br Hg I2 N5 O S -","- C20 H16 Br Hg I2 N5 O S -","- C80 H64 Br4 Hg4 I8 N20 O4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0574","0.0381","","","0.0816","0.0862","","","","","","0.883","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214890","9.8723","0.0008","9.9382","0.0008","10.7007","0.0016","91.615","0.002","102.813","0.002","119.47","0.001","879.54","0.17","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0664","0.0336","","","0.0424","0.0471","","","","","","0.738","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214891","8.186","0.0014","10.3316","0.0017","12.858","0.002","109.506","0.002","93.424","0.002","102.044","0.002","992.6","0.3","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0603","0.0387","","","0.0937","0.0991","","","","","","0.91","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214892","25.896","0.005","9.8455","0.0019","18.182","0.003","90","","110.564","0.002","90","","4340.3","1.4","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Br2 La N11 O11 S2 -","- C38 H30 Br2 La N11 O11 S2 -","- C152 H120 Br8 La4 N44 O44 S8 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0278","0.0239","","","0.0602","0.0613","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214893","18.229","0.005","18.329","0.005","19.533","0.005","62.294","0.003","76.676","0.004","68.31","0.004","5355","2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C212 H164 Cl8 Fe4 N48 O46 S12 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1827","0.1154","","","0.3431","0.3682","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214894","20.215","0.0011","20.9756","0.0012","33.84","0.0019","90","","90","","90","","14348.9","1.4","291","2","291","2","","","","","","","","8","I 21 21 21","I 2b 2c","24","","","","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C452 H436 F144 N96 O60 P24 Ru12 S12 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.108","0.0567","","","0.1244","0.1359","","","","","","0.962","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214895","8.4762","0.0009","15.787","0.002","8.3158","0.0011","90","","97.21","0.01","90","","1104","0.2","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","molecular complex of bromoform with cyclohexanone (1:1)","","- C7 H11 Br3 O -","- C7 H11 Br3 O -","- C28 H44 Br12 O4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.073","0.0379","","","0.0826","0.0923","","","","","","1.01","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214896","7.9562","0.0008","9.6768","0.0009","12.0633","0.0017","90","","94.923","0.011","90","","925.33","0.18","225","","225","","","","","","","","","5","C 1 c 1","C -2yc","9","","molecular complex of bromoform with dimethylsulfoxide (1:1)","","- C3 H7 Br3 O S -","- C3 H7 Br3 O S -","- C12 H28 Br12 O4 S4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","","0.7107","MoKα","Mo","0.1038","0.0833","","","0.2103","0.2358","","","","","","1.036","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214897","4.1771","0.0003","19.2999","0.0016","6.0082","0.0005","90","","106.732","0.01","90","","463.86","0.07","160","","160","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0182","","","0.0449","0.0457","","","","","","1.114","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214898","4.2028","0.0004","19.3569","0.0018","6.0247","0.0005","90","","106.761","0.01","90","","469.31","0.08","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0212","","","0.0506","0.0516","","","","","","1.069","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214899","4.2311","0.0005","19.421","0.002","6.0413","0.0006","90","","106.76","0.01","90","","475.34","0.09","240","","240","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0244","","","0.0595","0.0614","","","","","","1.064","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214900","6.566","0.002","10.457","0.003","17.386","0.005","90","","90","","90","","1193.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 B Cu F4 N7 O -","- C6 H10 B Cu F4 N7 O -","- C24 H40 B4 Cu4 F16 N28 O4 -","4","1","","Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann","A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand","CrystEngComm","2012","14","23","8153","","10.1039/c2ce26257f","","","0.71069","MoKα","","0.0438","0.0396","","","0.0986","0.1013","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214901","7.7051","0.0011","8.2473","0.0012","18.664","0.003","90","","90","","90","","1186","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0208","0.0198","","","0.044","0.0445","","","","","","0.979","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214902","7.6961","0.0015","8.2458","0.0017","18.737","0.004","90","","90","","90","","1189.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N2 O8 Tb -","- C8 H11 N2 O8 Tb -","- C32 H44 N8 O32 Tb4 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0299","0.0278","","","0.0604","0.0612","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214903","7.7735","0.0018","8.2482","0.0019","18.816","0.004","90","","90","","90","","1206.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Eu N2 O8 -","- C8 H11 Eu N2 O8 -","- C32 H44 Eu4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0286","0.0281","","","0.0672","0.0674","","","","","","1.127","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214904","7.7305","0.001","8.2593","0.0011","18.791","0.003","90","","90","","90","","1199.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Gd N2 O8 -","- C8 H11 Gd N2 O8 -","- C32 H44 Gd4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0164","0.0161","","","0.0411","0.0412","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214905","7.7028","0.001","8.2418","0.001","18.692","0.002","90","","90","","90","","1186.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0384","0.0376","","","0.095","0.0955","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214906","15.2093","0.0005","11.5727","0.0004","15.7952","0.0004","90","","93.599","0.002","90","","2774.67","0.15","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H59 Ce N28 O31 -","- C39 H50 Ce N28 O31 -","- C78 H100 Ce2 N56 O62 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0735","0.0718","","","0.1949","0.1961","","","","","","1.073","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214907","34.5703","0.0011","21.2363","0.0006","21.7315","0.0005","90","","127.191","0.0015","90","","12709.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Ce2 N56 O69 -","- C84 H110 Ce2 N56 O69 -","- C336 H440 Ce8 N224 O276 -","4","0.5","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0667","0.0552","","","0.1641","0.1713","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214908","14.7871","0.0001","26.7248","0.0003","16.7471","0.0002","90","","90.3591","0.0005","90","","6618.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H75 N28 O37 S Yb -","- C41 H51 N28 O37 S Yb -","- C164 H204 N112 O148 S4 Yb4 -","4","2","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0609","0.0567","","","0.1517","0.1542","","","","","","1.087","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214909","25.4155","0.0002","18.8099","0.0002","29.8228","0.0003","90","","93.6325","0.0006","90","","14228.5","0.2","150","2","150","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C164 H312 Dy5 N115 O163 S4 -","- C164 H185 Dy5 N115 O163 S4 -","- C328 H370 Dy10 N230 O326 S8 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0707","0.0666","","","0.1868","0.1901","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214910","14.2583","0.0007","15.0998","0.0004","25.1467","0.0012","90.052","0.003","90.186","0.002","116.19","0.003","4858.2","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H228 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","1","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0684","0.0607","","","0.1545","0.1607","","","","","","1.027","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214911","14.6622","0.0012","17.3679","0.0014","20.5165","0.0017","66.9042","0.001","77.86","0.002","68.1339","0.001","4447.4","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.068","0.0448","","","0.09","0.0943","","","","","","1.02","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214912","14.8661","0.001","17.8974","0.0012","20.5741","0.0014","67.25","0.001","77.738","0.002","67.815","0.001","4660.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H164 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0477","0.037","","","0.0758","0.078","","","","","","1.063","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214913","15.2234","0.0012","17.3461","0.0012","20.4722","0.0016","67.071","0.001","76.394","0.002","64.9","0.001","4492.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H168 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.058","0.0419","","","0.0835","0.087","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214914","8.636","0.0006","35.5231","0.0014","17.7388","0.0012","90","","92.067","0.003","90","","5438.3","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H106 Cl2 Co4 N6 O29 -","- C84 H96 Cl2 Co4 N6 O31 -","- C168 H192 Cl4 Co8 N12 O62 -","2","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0739","0.0504","","","0.0915","0.0956","","","","","","1.1","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214915","10.487","0.002","11.16","0.002","12.296","0.003","99.54","0.03","98.62","0.03","90.56","0.03","1402.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 Cd N8 O5.75 -","- C29 H19 Cd N8 O5.75 -","- C58 H38 Cd2 N16 O11.5 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0622","0.0538","","","0.1711","0.181","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214916","17.194","0.003","12.05","0.002","22.453","0.005","90","","95.42","0.03","90","","4631.2","1.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H74 N28 O24 Zn3 -","- C92 H56 N28 O24 Zn3 -","- C184 H112 N56 O48 Zn6 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.1193","0.0705","","","0.204","0.2318","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214917","10.346","0.002","11.139","0.002","13.478","0.003","66.01","0.03","84.96","0.03","76.27","0.03","1378.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cd N6 O8 S -","- C28 H16 Cd N6 O8 S -","- C56 H32 Cd2 N12 O16 S2 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0364","0.0321","","","0.0958","0.1032","","","","","","1.198","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214918","12.805","0.003","5.3901","0.0011","10.848","0.002","90","","100.58","0.03","90","","736","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N6 O6 Zn -","- C14 H12 N6 O6 Zn -","- C28 H24 N12 O12 Zn2 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0299","0.0249","","","0.0578","0.0597","","","","","","1.06","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214919","32.7209","0.0015","19.4444","0.0009","32.739","0.002","90","","115.904","0.002","90","","18737","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Ca2 Cl4 N20 O11 -","- C30 H30 Ca2 Cl3.9985 N20 O11 -","- C480 H480 Ca32 Cl63.976 N320 O176 -","16","2","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.1753","0.1015","","","0.2591","0.2911","","","","","","1.097","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214920","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H68 N20 O29 -","- C44 H42 N20 O16 -","- C88 H84 N40 O32 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0496","0.0466","","","0.1282","0.1303","","","","","","1.08","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214921","14.7327","0.0018","14.7327","0.0018","46.389","0.011","90","","90","","120","","8720","3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C37 H68 Ca Cl2 N20 O29 -","- C37 H36 Ca Cl2 N20 O17 -","- C222 H216 Ca6 Cl12 N120 O102 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0825","0.0762","","","0.2124","0.2189","","","","","","1.032","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214922","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H40 N25 O20 -","- C44 H42 N20 O33 -","- C88 H84 N40 O66 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0652","0.0606","","","0.1823","0.1874","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214923","25.4025","0.0002","25.4025","0.0002","46.8244","0.0004","90","","90","","90","","30215.2","0.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C1008 H1328 Cl64 N160 O56 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0655","0.0446","","","0.1157","0.1247","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214924","25.6733","0.001","25.6733","0.001","47.043","0.004","90","","90","","90","","31007","3","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C64 H83.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C64 H82.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C1024 H1320 Br64 Cl16 N168 O48 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0639","0.0452","","","0.1117","0.1267","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214925","25.7484","0.0008","22.6562","0.0006","27.7603","0.0008","90","","98.9677","0.0011","90","","15996.3","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C484 H584 Cl72 I32 N64 Pt16 S32 Zn16 -","8","2","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0842","0.0419","","","0.096","0.1144","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214926","27.54","0.003","19.1614","0.0017","16.0561","0.0015","90","","119.272","0.001","90","","7391","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 N10 O11 Pt2 S4 Zn2 -","- C60 H64 N10 O11 Pt2 S4 Zn2 -","- C240 H256 N40 O44 Pt8 S16 Zn8 -","4","0.5","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0636","0.0469","","","0.1383","0.1564","","","","","","1.127","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214927","25.4591","0.0007","25.4591","0.0007","46.7498","0.0013","90","","90","","90","","30301.6","1.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C65 H86 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C65 H85 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C1040 H1360 Cl64 N176 O56 Pd32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0958","0.0782","","","0.1553","0.1621","","","","","","1.261","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214928","10.46","0.005","11.536","0.005","42.364","0.019","90","","90","","90","","5112","4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C224 H256 O96 -","16","2","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.0867","0.0513","","","0.117","0.1352","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214929","10.4043","0.0017","13.72","0.002","10.3515","0.0017","90","","118.031","0.003","90","","1304.3","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.128","0.0852","","","0.1454","0.1581","","","","","","1.224","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214930","5.8919","0.0012","11.934","0.002","16.684","0.003","73.06","0.03","87.16","0.03","76.67","0.03","1091.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd Cl2 N4 S2 -","- C15 H28 Cd Cl2 N4 S2 -","- C30 H56 Cd2 Cl4 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0372","0.0325","","","0.1067","0.1132","","","","","","1.175","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214931","7.3432","0.0015","9.2378","0.0018","14.238","0.003","103.57","0.03","99.86","0.03","98.14","0.03","908.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 Cd N4 S2 -","- C14 H12 Br2 Cd N4 S2 -","- C28 H24 Br4 Cd2 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0418","0.0322","","","0.0855","0.0907","","","","","","1.121","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214932","5.8896","0.0012","13.286","0.003","17.001","0.003","85.77","0.03","81.61","0.03","87.58","0.03","1311.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cd2 Cl0 N8 S8 -","- C16 H10 Cd2 N8 S8 -","- C32 H20 Cd4 N16 S16 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0419","0.0322","","","0.0787","0.0819","","","","","","1.103","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214933","10.999","0.002","16.628","0.003","5.1034","0.001","90","","90","","90","","933.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H10 Br2 Cd N4 S4 -","- C12 H10 Br2 Cd N4 S4 -","- C24 H20 Br4 Cd2 N8 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0219","0.0197","","","0.0414","0.042","","","","","","1.15","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214934","8.4933","0.0017","10.509","0.002","11.826","0.002","81.38","0.03","73.21","0.03","70.39","0.03","950.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cd N5 S5 -","- C13 H9 Cd N5 S5 -","- C26 H18 Cd2 N10 S10 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.032","0.0274","","","0.0612","0.0669","","","","","","1.116","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214935","5.7769","0.0012","7.817","0.0018","13.529","0.003","90.857","0.014","100.574","0.013","106.749","0.013","573.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1275","0.0554","","","0.1055","0.1307","","","","","","1.004","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214936","3.9462","0.0002","28.9809","0.0011","5.2402","0.0002","90","","95.337","0.002","90","","596.69","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0532","0.0496","","","0.1323","0.1371","","","","","","1.061","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214937","7.2328","0.0004","11.2111","0.0005","17.3601","0.0007","90","","98.222","0.003","90","","1393.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 -","- C14 H16 N2 O5 -","- C56 H64 N8 O20 -","4","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1092","0.0454","","","0.083","0.0996","","","","","","1.001","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214938","8.1294","0.0002","11.4747","0.0002","15.7778","0.0003","95.479","0.001","102.802","0.001","90.992","0.001","1427.53","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0572","0.033","","","0.0558","0.0623","","","","","","1.005","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214939","5.287","0.0001","9.2477","0.0002","15.5312","0.0003","76.306","0.001","85.897","0.001","89.384","0.001","735.87","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0324","0.0256","","","0.0614","0.0645","","","","","","1.072","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214940","31.2148","0.0004","5.5693","0.0001","16.1812","0.0003","90","","99.665","0.001","90","","2773.09","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Ag Cl N4 O10 -","- C28 H24 Ag Cl N4 O10 -","- C112 H96 Ag4 Cl4 N16 O40 -","4","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0453","0.0327","","","0.0898","0.1002","","","","","","1.049","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214941","7.3871","0.0001","11.6594","0.0001","20.3813","0.0003","88.704","0.001","79.752","0.001","79.092","0.001","1696.1","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag Cl N6 O10 -","- C32 H30 Ag Cl N6 O10 -","- C64 H60 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1102","0.0445","","","0.0934","0.1155","","","","","","1.003","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214942","8.1757","0.0001","9.9244","0.0002","18.2818","0.0004","84.183","0.001","87.78","0.001","67.182","0.001","1360.24","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag N5 O9 -","- C28 H24 Ag N5 O9 -","- C56 H48 Ag2 N10 O18 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0777","0.0401","","","0.0817","0.0947","","","","","","1.008","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214943","8.5792","0.0002","10.5968","0.0002","17.2908","0.0004","82.52","0.001","89.791","0.001","89.693","0.001","1558.54","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Ag Cl N5 O10 -","- C30 H27 Ag Cl N5 O10 -","- C60 H54 Ag2 Cl2 N10 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.054","0.0371","","","0.0874","0.0973","","","","","","1.022","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214944","10.9516","0.0012","11.4924","0.0015","12.3178","0.0012","97.684","0.01","115.89","0.007","91.832","0.01","1375.1","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Ag Cl N6 O10 -","- C26 H22 Ag Cl N6 O10 -","- C52 H44 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0445","0.0334","","","0.0802","0.0873","","","","","","1.044","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214945","10.8318","0.0016","11.5968","0.0012","12.2368","0.0015","98.53","0.009","115.595","0.009","91.721","0.009","1363.3","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag B F4 N6 O6 -","- C26 H22 Ag B F4 N6 O6 -","- C52 H44 Ag2 B2 F8 N12 O12 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1255","0.0542","","","0.092","0.1162","","","","","","1.026","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214946","11.1676","0.0015","11.3893","0.0018","12.6805","0.0012","80.868","0.01","63.9","0.009","88.796","0.012","1427.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O6 P -","- C26 H22 Ag F6 N6 O6 P -","- C52 H44 Ag2 F12 N12 O12 P2 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0772","0.0405","","","0.0801","0.0943","","","","","","1.011","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214947","5.4242","0.0011","7.3161","0.0015","17.917","0.004","99.69","0.03","94.01","0.03","103.93","0.03","675.7","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form 1 of 1:1 nicotinamide and pimelic acid","Form 1 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71073","MoKα","","0.0609","0.0554","","","0.1504","0.156","","","","","","1.144","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214948","9.29","0.007","31.04","0.02","4.981","0.004","90","","90","","90","","1436.3","1.8","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Form 2 of 1:1 nicotinamide and pimelic acid","Form 2 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71075","MoKα","","0.0928","0.0792","","","0.2012","0.2164","","","","","","1.114","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214949","6.594","0.002","12.467","0.004","14.022","0.004","90","","90","","90","","1152.7","0.6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Dy2 K2 N2 O20 -","- C18 H10 Dy2 K2 N2 O20 -","- C36 H20 Dy4 K4 N4 O40 -","2","0.5","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0365","0.0342","","","0.0952","0.0956","","","","","","1.095","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214950","6.571","0.0013","12.445","0.003","14.012","0.003","90","","90","","90","","1145.8","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 Er K N O10 -","- C9 H5 Er K N O10 -","- C36 H20 Er4 K4 N4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214951","14.12","0.003","12.545","0.003","6.6886","0.0013","90","","90","","90","","1184.8","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 K N Nd O10 -","- C9 H5 K N Nd O10 -","- C36 H20 K4 N4 Nd4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0279","0.0269","","","0.0703","0.0706","","","","","","1.111","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214952","14.7011","0.001","6.143","0.0003","16.075","0.001","90","","114.201","0.008","90","","1324.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O6 Zn -","- C14 H11 N O6 Zn -","- C56 H44 N4 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0525","0.0384","","","0.0848","0.0949","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214953","7.8575","0.0004","10.7958","0.0006","12.5902","0.0007","67.731","0.005","73.063","0.004","80.891","0.004","944.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N3 O7 Zn -","- C19 H20 N3 O7 Zn -","- C38 H40 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0713","0.0537","","","0.1206","0.1342","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214954","7.6224","0.0005","11.3078","0.0006","13.4989","0.0006","65.261","0.005","74.349","0.005","83.501","0.005","1017.54","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N3 O7 Zn -","- C20 H22 N3 O7 Zn -","- C40 H44 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0732","0.0555","","","0.1315","0.146","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214955","28.951","0.003","7.6653","0.0003","21.991","0.004","90","","128.355","0.018","90","","3827","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 O7.5 Zn -","- C18 H19 N4 O7.5 Zn -","- C144 H152 N32 O60 Zn8 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0834","0.0491","","","0.0813","0.0925","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214956","11.6011","0.0003","16.3324","0.0005","12.0354","0.0004","90","","93.807","0.003","90","","2275.36","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 O6 Zn -","- C26 H19 N3 O6 Zn -","- C104 H76 N12 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0575","0.039","","","0.0834","0.0931","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214957","11.4242","0.0003","16.2523","0.0004","12.0073","0.0004","90","","92.448","0.003","90","","2227.36","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cu N3 O6 -","- C26 H19 Cu N3 O6 -","- C104 H76 Cu4 N12 O24 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0516","0.0374","","","0.0809","0.0866","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214958","14.3716","0.0005","14.1848","0.0005","21.9961","0.0008","90","","106.675","0.004","90","","4295.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N3 O5 -","- C26 H17 Cd N3 O5 -","- C208 H136 Cd8 N24 O40 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0429","0.0337","","","0.0725","0.0781","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214959","11.533","0.0006","14.292","0.0006","29.317","0.0008","92.071","0.003","90.977","0.003","103.047","0.004","4702.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H90 Cd5 N15 O30 -","- C95 H90 Cd5 N15 O30 -","- C190 H180 Cd10 N30 O60 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71069","MoKα","","0.0784","0.0436","","","0.1002","0.1238","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214960","23.4087","0.0008","9.5727","0.0002","18.3298","0.0006","90","","108.456","0.004","90","","3896.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N3 O7 -","- C19 H13 Co N3 O7 -","- C152 H104 Co8 N24 O56 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0627","0.0495","","","0.1265","0.137","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214961","9.6198","0.0005","10.3436","0.0006","10.9062","0.0006","68.259","0.005","85.928","0.004","86.388","0.004","1004.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N3 Ni O8 -","- C19 H20 N3 Ni O8 -","- C38 H40 N6 Ni2 O16 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0635","0.0459","","","0.1139","0.1265","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214962","12.7419","0.0004","12.7419","0.0004","14.2617","0.0009","90","","90","","90","","2315.47","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0245","0.0229","","","0.0575","0.0583","","","","","","1.015","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214963","12.6811","0.0004","12.6811","0.0004","14.2077","0.0008","90","","90","","90","","2284.74","0.16","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0339","0.0298","","","0.0703","0.0741","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214964","12.8487","0.0016","12.8487","0.0016","14.526","0.002","90","","90","","90","","2398.1","0.5","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0591","0.0533","","","0.1581","0.1625","","","","","","0.973","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214965","12.866","0.0003","12.866","0.0003","14.3888","0.0005","90","","90","","90","","2381.83","0.11","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0323","0.0296","","","0.0767","0.079","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214966","12.783","0.002","12.783","0.002","14.358","0.005","90","","90","","90","","2346.2","1","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0816","0.0495","","","0.0915","0.1063","","","","","","0.975","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214967","12.5812","0.0008","12.5812","0.0008","14.2715","0.0017","90","","90","","90","","2259","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0741","0.0706","","","0.191","0.1932","","","","","","1.129","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214968","12.7455","0.0004","12.7455","0.0004","14.2641","0.0009","90","","90","","90","","2317.17","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0306","0.0286","","","0.0774","0.0795","","","","","","1.083","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214969","12.6871","0.0003","12.6871","0.0003","14.2044","0.0004","90","","90","","90","","2286.38","0.1","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C20 H18 N10 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0564","0.054","","","0.1322","0.1355","","","","","","1.129","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214970","12.8656","0.0006","12.8656","0.0006","14.5185","0.0013","90","","90","","90","","2403.2","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0385","0.035","","","0.088","0.0899","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214971","12.8616","0.0004","12.8616","0.0004","14.383","0.0006","90","","90","","90","","2379.25","0.14","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0443","0.0347","","","0.0764","0.0858","","","","","","1.029","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214972","12.8115","0.0014","12.8115","0.0014","14.325","0.003","90","","90","","90","","2351.2","0.6","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0449","0.0365","","","0.0815","0.0866","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214973","12.561","0.003","20.722","0.004","23.556","0.005","90","","99.26","0.03","90","","6051","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C144 H144 Co8 N96 O32 S8 -","8","2","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0753","0.0594","","","0.1782","0.1893","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214974","26.859","0.004","12.2673","0.0018","17.083","0.003","90","","124.59","0.002","90","","4633.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Co3 N4 O17 -","- C50 H36 Co3 N4 O17 -","- C200 H144 Co12 N16 O68 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0397","0.0346","","","0.0959","0.0991","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214975","26.909","0.005","12.17","0.003","17.157","0.003","90","","124.694","0.003","90","","4619.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N4 O17 Zn3 -","- C50 H36 N4 O17 Zn3 -","- C200 H144 N16 O68 Zn12 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0738","0.0477","","","0.0835","0.0885","","","","","","1.006","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214976","18.833","0.005","13.696","0.003","30.322","0.008","90","","107.039","0.005","90","","7478","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H29 N4 O7 Zn -","- C44 H29 N4 O7 Zn -","- C352 H232 N32 O56 Zn8 -","8","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0786","0.0494","","","0.0996","0.1077","","","","","","0.842","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214977","10.239","0.01","14.746","0.006","16.5153","0.0016","93.983","0.0015","101.479","0.0015","105.624","0.0015","2333","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O12 Zn2 -","- C48 H36 N4 O12 Zn2 -","- C96 H72 N8 O24 Zn4 -","2","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.1603","0.0965","","","0.2092","0.2239","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214978","14.2461","0.0016","21.754","0.003","11.6482","0.0013","90","","95.942","0.002","90","","3590.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd N4 O8 -","- C40 H32 Cd N4 O8 -","- C160 H128 Cd4 N16 O32 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0529","0.0479","","","0.1385","0.1428","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214979","14.0498","0.0012","20.914","0.0017","11.6127","0.0009","90","","94.684","0.002","90","","3400.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N4 Ni O7 -","- C40 H30 N4 Ni O7 -","- C160 H120 N16 Ni4 O28 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0631","0.0547","","","0.1612","0.1677","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214980","15.273","0.002","21.836","0.003","16.089","0.002","90","","101.622","0.004","90","","5255.7","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 N46 O59 Sm2 -","- C66 H66 N46 O51 Sm2 -","- C132 H132 N92 O102 Sm4 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0474","","","0.1385","0.1426","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214981","14.465","0.005","14.465","0.003","45.866","0.012","90","","90","","120","","8311","4","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H64 Cl Er N22 O32 -","- C36 H36 Cl Er N22 O22 -","- C216 H216 Cl6 Er6 N132 O132 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0379","0.0368","","","0.0944","0.0948","","","","","","1.079","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214982","20.3","0.005","13.551","0.003","20.469","0.005","90","","90","","90","","5631","2","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H64 Cl La N22 O32 -","- C36 H36 Cl La N22 O22 -","- C144 H144 Cl4 La4 N88 O88 -","4","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0515","0.0458","","","0.1419","0.147","","","","","","1.112","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214983","16.821","0.0012","18.5168","0.0013","24.5003","0.0017","106.175","0.002","100.333","0.002","101.696","0.002","6947.6","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H159 Cl6 Eu3 N43 O76 -","- C75 H75 Cl6 Eu3 N43 O44 -","- C150 H150 Cl12 Eu6 N86 O88 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0463","","","0.1421","0.1488","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214984","17.065","0.005","18.41","0.005","24.35","0.006","105.555","0.003","100.01","0.004","102.267","0.004","6982","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H182 Cl9 Gd3 N40 O80 -","- C66 H66 Cl9 Gd3 N40 O32 -","- C132 H132 Cl18 Gd6 N80 O64 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.1006","0.0642","","","0.1727","0.1884","","","","","","0.954","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214985","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H62 Dy N23 O34 -","- C36 H36 Dy N23 O25 -","- C216 H216 Dy6 N138 O150 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0467","0.042","","","0.107","0.1091","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214986","14.499","0.004","14.499","","45.818","0.012","90","","90","","120","","8341","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H68 Cl3 N20 O28 Yb -","- C36 H36 Cl3 N20 O16 Yb -","- C216 H216 Cl18 N120 O96 Yb6 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0371","0.0358","","","0.0888","0.0893","","","","","","1.124","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214987","14.515","0.004","14.515","","45.826","0.013","90","","90","","120","","8361","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H74 Cl3 Lu N20 O29 -","- C36 H36 Cl3 Lu N20 O16 -","- C216 H216 Cl18 Lu6 N120 O96 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0725","0.0701","","","0.167","0.1684","","","","","","1.129","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214988","23.3223","0.0018","10.6962","0.0007","15.7966","0.0012","90","","111.051","0.009","90","","3677.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg N2 O14 Zn2 -","- C32 H30 Mg N2 O14 Zn2 -","- C128 H120 Mg4 N8 O56 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0572","0.043","","","0.1234","0.1393","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214989","10.311","0.0004","18.4014","0.0013","14.3666","0.0009","90","","99.825","0.005","90","","2685.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Ca N2 O10 Zn -","- C24 H26 Ca N2 O10 Zn -","- C96 H104 Ca4 N8 O40 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0773","0.0485","","","0.1077","0.1233","","","","","","1.028","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214990","10.4064","0.0005","18.5332","0.0009","14.4984","0.0008","90","","100.153","0.005","90","","2752.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O10 Sr Zn -","- C24 H26 N2 O10 Sr Zn -","- C96 H104 N8 O40 Sr4 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0597","0.0424","","","0.1225","0.1357","","","","","","0.936","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214991","15.1637","0.0006","19.0644","0.0006","12.6634","0.0005","90","","112.767","0.005","90","","3375.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ba N2 O16 Zn2 -","- C30 H16 Ba N2 O16 Zn2 -","- C120 H64 Ba4 N8 O64 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0323","0.0259","","","0.0633","0.067","","","","","","1.023","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214992","5.399","0.0001","15.755","0.0004","20.698","0.0005","90","","90","","90","","1760.6","0.07","298","2","298","2","","","","","","","Crystal Screening","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen phthalate","","- C16 H17 N3 O7 S -","- C16 H17 N3 O7 S -","- C64 H68 N12 O28 S4 -","4","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","0.71073","MoKα","","0.0566","0.0387","","","0.0958","0.1042","","","","","","1.022","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214993","12.7246","0.0012","5.2978","0.0003","13.1688","0.0009","90","","106.129","0.008","90","","852.8","0.12","107.4","0.2","107.4","0.2","","","","","","","Crystal Screening","5","P 1 21 1","P 2yb","4","lamivudine salicylate monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one salicylate monohydrate","","- C15 H19 N3 O7 S -","- C15 H19 N3 O7 S -","- C30 H38 N6 O14 S2 -","2","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","1.54184","CuKα","","0.0598","0.0429","","","0.0933","0.1063","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214994","18.007","0.003","18.007","0.003","19.288","0.004","90","","90","","120","","5416.3","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H48 Cd3 K N6 O15 -","- C72 H48 Cd3 K N6 O15 -","- C144 H96 Cd6 K2 N12 O30 -","2","0.166667","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0746","0.0619","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214995","14.498","0.003","14.899","0.003","17.473","0.004","90","","90","","90","","3774.3","1.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","1","0.125","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0599","0.0458","","","0.1393","0.1473","","","","","","1.108","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214996","6.1603","0.0001","6.3726","0.0002","17.9756","0.0005","97.743","0.002","99.269","0.002","96.969","0.002","682.69","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 Se -","- C4 H16 N10 O6 Se -","- C8 H32 N20 O12 Se2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0223","0.0221","","","0.0763","0.0765","","","","1.87","1.87","1.86","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214997","6.1197","0.0002","6.341","0.0002","17.7076","0.0006","99.528","0.003","98.22","0.003","96.967","0.003","663.26","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 S -","- C4 H16 N10 O6 S -","- C8 H32 N20 O12 S2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0315","0.027","","","0.0824","0.0848","","","","1.8","1.8","1.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214998","6.0701","0.0001","24.6727","0.0006","8.1489","0.0002","90","","93.766","0.002","90","","1217.79","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Cl N5 O0.5 -","- C2 H7 Cl N5 O0.5 -","- C16 H56 Cl8 N40 O4 -","8","2","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0298","0.029","","","0.0764","0.0771","","","","","","1.038","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214999","5.3075","0.0002","7.5977","0.0004","9.161","0.0005","74.424","0.005","84.547","0.004","83.648","0.004","352.84","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O8 -","- C2 H6 Cl N5 O4 -","- C4 H12 Cl2 N10 O8 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0284","0.0278","","","0.0741","0.0745","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215000","8.1688","0.0001","11.4624","0.0002","7.7423","0.0001","90","","96.106","0.001","90","","720.83","0.018","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N5 O3 P -","- C2 H8 N5 O3 P -","- C8 H32 N20 O12 P4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0286","0.0281","","","0.0714","0.0718","","","","","","0.883","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215001","9.5195","0.0001","9.1","0.0001","7.4127","0.0001","90","","95.988","0.001","90","","638.64","0.013","120","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 N44 O12 -","- C2 H6 N6 O3 -","- C8 H24 N24 O12 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0293","0.0281","","","0.0769","0.0781","","","","","","1.117","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215002","13.3492","0.0004","37.1096","0.0012","6.0702","0.0002","90","","90","","90","","3007.08","0.17","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C2 H8 N5 O4 P -","- C2 H8 N5 O4 P -","- C32 H128 N80 O64 P16 -","16","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.019","0.0189","","","0.0615","0.0617","","","","1.52","1.52","1.52","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215003","15.3484","0.0006","6.9216","0.0003","27.1086","0.0013","90","","99.924","0.004","90","","2836.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 N4 O8 Pb2 -","- C48 H24 N4 O8 Pb2 -","- C96 H48 N8 O16 Pb4 -","2","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0592","0.0399","","","0.0921","0.0988","","","","","","1.037","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215004","11.1613","0.0009","24.1334","0.0012","20.5794","0.0015","90","","91.02","0.007","90","","5542.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Co N5 O10 Pb2 -","- C51 H31 Co N5 O10 Pb2 -","- C204 H124 Co4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1526","0.0779","","","0.1556","0.1776","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215005","10.2406","0.0005","24.059","0.001","21.2577","0.0008","90","","93.328","0.004","90","","5228.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 N5 Ni O10 Pb2 -","- C51 H31 N5 Ni O10 Pb2 -","- C204 H124 N20 Ni4 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1193","0.0858","","","0.1783","0.1888","","","","","","1.297","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215006","10.9008","0.0002","24.1824","0.0005","20.8565","0.0006","90","","91.678","0.002","90","","5495.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Cu N5 O10 Pb2 -","- C51 H31 Cu N5 O10 Pb2 -","- C204 H124 Cu4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0802","0.0566","","","0.1317","0.141","","","","","","1.142","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215007","8.2432","0.0015","11.539","0.0018","16.397","0.002","100.295","0.012","90.639","0.013","107.891","0.015","1456.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","1","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","1.54178","CuKα","","0.1097","0.0898","","","0.2043","0.2161","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215008","9.0802","0.0018","11.246","0.002","19.815","0.006","90","","109.95","0.03","90","","1902","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0905","0.063","","","0.1569","0.1805","","","","","","0.996","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215009","11.524","0.009","12.671","0.01","15.484","0.012","90","","100.353","0.016","90","","2224","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cd N4 O5 -","- C21 H24 Cd N4 O5 -","- C84 H96 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.1047","0.0652","","","0.1547","0.1778","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215010","7.3845","0.0008","9.6801","0.0011","16.41","0.002","86.573","0.001","84.202","0.001","83.407","0.001","1157.9","0.2","296","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C40 H56 N8 O14 Zn2 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0491","0.042","","","0.1092","0.1137","","","","","","1.096","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215011","8.7106","0.0009","10.4086","0.001","10.9644","0.0011","64.405","0.001","69.956","0.001","77.723","0.002","839.79","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cd N2 O5 -","- C16 H19 Cd N2 O5 -","- C32 H38 Cd2 N4 O10 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0239","0.0216","","","0.0482","0.0498","","","","","","1.049","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215012","11.413","0.009","17.212","0.013","11.724","0.009","90","","116.24","0.007","90","","2066","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cd N4 O5 -","- C19 H22 Cd N4 O5 -","- C76 H88 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0254","0.0222","","","0.0706","0.073","","","","","","1.082","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215013","7.7981","0.0006","16.0351","0.0014","16.4278","0.0013","90","","103.243","0.001","90","","1999.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0459","0.0393","","","0.1001","0.1061","","","","","","1.029","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215014","20.517","0.0017","10.5876","0.0009","21.9335","0.0018","90","","105.419","0.001","90","","4593","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cd N4 O5 -","- C22 H26 Cd N4 O5.5 -","- C176 H208 Cd8 N32 O44 -","8","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0511","0.0399","","","0.1075","0.1179","","","","","","1.021","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215015","5.928","0.0006","18.465","0.002","14.208","0.001","90","","99.259","0.005","90","","1535","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPL4ABA","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0672","0.0446","","","0.1287","0.1539","","","","","","1.131","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215016","5.9663","0.0006","27.045","0.003","9.4703","0.001","90","","107.008","0.002","90","","1461.3","0.3","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPLGA","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71073","MoKα","","0.0546","0.0445","","","0.1019","0.1067","","","","","","1.099","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215017","6.39","0.0004","10.078","0.0007","12.226","0.0008","81.714","0.003","82.039","0.003","76.597","0.003","753.37","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","GBPL4HBA","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0726","0.0482","","","0.1193","0.13","","","","","","1.055","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215018","10.704","0.0003","6.011","0.0004","17.802","0.006","90","","101.372","0.003","90","","1122.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GBPLFA","","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.1068","0.06","","","0.1771","0.2063","","","","","","1.11","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215019","28.368","0.006","11.144","0.002","16.695","0.003","90","","116.37","0.03","90","","4729","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 N14 Ni2 O15 -","- C42 H32 N14 Ni2 O15 -","- C168 H128 N56 Ni8 O60 -","4","0.5","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.1399","0.0808","","","0.1471","0.1712","","","","","","1.036","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215020","23.501","0.005","10.181","0.002","10.334","0.002","90","","90","","90","","2472.6","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C18 H23 Co2 N5 O13 -","- C18 H23 Co2 N5 O13 -","- C72 H92 Co8 N20 O52 -","4","","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0468","0.0435","","","0.0747","0.0758","","","","","","1.059","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215021","17.68","0.004","12.222","0.002","20.171","0.004","90","","95.86","0.03","90","","4335.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Co2 N10 O14 -","- C43 H38 Co2 N10 O14 -","- C172 H152 Co8 N40 O56 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.095","0.0686","","","0.1492","0.1627","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215022","8.752","0.0018","10.915","0.002","11.035","0.002","76.85","0.03","77.91","0.03","67.61","0.03","940.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 Ni O8 -","- C17 H18 N5 Ni O8 -","- C34 H36 N10 Ni2 O16 -","2","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0636","0.0475","","","0.1176","0.1247","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215023","8.28","0.0017","28.059","0.006","16.424","0.003","90","","94.02","0.03","90","","3806.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Co2 N10 O12 -","- C32 H24 Co2 N10 O11.99 -","- C128 H96 Co8 N40 O47.96 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0851","0.0658","","","0.139","0.149","","","","","","0.963","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215024","5.5135","0.0002","8.1356","0.0003","47.2858","0.0014","90","","90","","90","","2121.03","0.13","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 S2 -","- C25 H26 O2 S2 -","- C100 H104 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.049","0.0477","","","0.1149","0.1157","","","","","","1.155","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215025","11.6776","0.0006","18.6014","0.001","13.2518","0.0007","90","","108.458","0.003","90","","2730.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cu N O2 S2 -","- C27 H26 Cl2 Cu N O2 S2 -","- C108 H104 Cl8 Cu4 N4 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0466","0.0395","","","0.1137","0.1175","","","","","","1.055","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215026","11.2153","0.0003","11.6948","0.0003","12.9855","0.0004","85.089","0.001","65.157","0.001","79.395","0.001","1519.11","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","1","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0348","0.0321","","","0.0864","0.0885","","","","","","1.062","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215027","36.215","0.004","13.9659","0.0014","28.036","0.005","90","","125.048","0.004","90","","11609","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C408 H432 Cl16 Cu32 I32 O32 S32 -","8","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0414","0.0363","","","0.0956","0.0993","","","","","","1.073","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215028","17.0726","0.0015","21.8272","0.0018","16.3027","0.0014","90","","110.571","0.004","90","","5687.8","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C204 H216 Cl8 Cu16 I16 O16 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0675","0.0496","","","0.1272","0.1403","","","","","","1.025","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215029","17.84","0.004","11.467","0.002","6.3458","0.0013","90","","101.743","0.003","90","","1271","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H30 Co3 N2 O20 P2 -","- C10 H30 Co3 N2 O20 P2 -","- C20 H60 Co6 N4 O40 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1404","0.1437","","","","","","1.063","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215030","6.705","0.0017","11.2932","0.0011","16.3878","0.0019","90","","90","","90","","1240.9","0.4","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cu3 N2 O16 P2 -","- C10 H22 Cu3 N2 O16 P2 -","- C20 H44 Cu6 N4 O32 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0451","0.0356","","","0.083","0.0858","","","","","","1.071","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215031","6.4427","0.0013","9.5515","0.0019","10.224","0.002","107.45","0.03","91.15","0.03","101.7","0.03","585.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.103","0.0792","","","0.2211","0.2358","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215032","6.6226","0.0013","9.657","0.0019","9.752","0.002","95.92","0.03","108.9","0.03","94.26","0.03","583.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0689","0.0456","","","0.1121","0.1242","","","","","","1.005","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215033","18.683","0.011","7.826","0.005","37.85","0.02","90","","90","","90","","5534","6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H44 Cd2 N12 O20 -","- C56 H44 Cd2 N12 O20 -","- C224 H176 Cd8 N48 O80 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.1097","0.0779","","","0.1874","0.2439","","","","","","1.048","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215034","9.4252","0.0016","20.219","0.003","7.0187","0.0012","90","","108.742","0.002","90","","1266.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N5 O7 Zn -","- C10 H12 N5 O7 Zn -","- C40 H48 N20 O28 Zn4 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0715","0.0422","","","0.0889","0.1016","","","","","","0.963","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215035","12.2626","0.0007","13.7872","0.0008","14.7405","0.0009","101.396","0.001","108.921","0.001","98.847","0.001","2246.3","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4- dihydrocarbostyril)","7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- 3,4-dihydrocarbostyril]","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Babu, V. S. Phani; Jagadeesh, Bharatham; Ravikumar, Krishnan","Sixth polymorph of aripiprazole - an antipsychotic drug","CrystEngComm","2012","14","14","4677","","10.1039/c2ce25306b","","x-ray","0.71073","MoKα","","0.0576","0.0463","","","0.1188","0.1277","","","","","","1.026","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215036","15.213","0.003","16.59","0.002","23.677","0.003","90","","97.497","0.016","90","","5924.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co3(obc)3(bpy)2)(H2O)","","","- C62 H42 Co3 N4 O16 -","- C62 H40 Co3 N4 O16 -","- C248 H160 Co12 N16 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1002","0.0697","","","0.181","0.2036","","","","","","1.024","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215037","15.138","0.002","16.501","0.002","25.844","0.004","90","","91.021","0.002","90","","6454.6","1.5","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co3(obc)3(phen)2","","","- C66 H40 Co3 N4 O15 -","- C66 H40 Co3 N4 O15 -","- C264 H160 Co12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.127","0.0599","","","0.1354","0.1692","","","","","","0.987","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215038","14.271","0.004","17.077","0.004","25.897","0.006","90","","92.986","0.011","90","","6303","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn3(obc)3(bpy)2","","","- C62 H40 Mn3 N4 O15 -","- C62 H40 Mn3 N4 O15 -","- C248 H160 Mn12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0665","0.0467","","","0.114","0.1343","","","","","","1.119","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215039","15.2012","0.0011","16.7136","0.0012","25.8544","0.0019","90","","90.26","0.001","90","","6568.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Mn3(obc)3(phen)2)(2H2O)","","","- C66 H44 Mn3 N4 O17 -","- C66 H40 Mn3 N4 O17 -","- C264 H160 Mn12 N16 O68 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0697","0.0451","","","0.1111","0.124","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215040","15.163","0.005","16.373","0.004","23.383","0.005","90","","97.486","0.018","90","","5756","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Ni3(obc)3(bpy)2)(H2O)","","","- C62 H42 N4 Ni3 O16 -","- C62 H40 N4 Ni3 O16 -","- C248 H160 N16 Ni12 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1181","0.074","","","0.1867","0.2221","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215041","10.366","0.009","11.154","0.009","12.483","0.01","96.342","0.01","105.741","0.006","104.4","0.004","1320.8","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu4 I5 N5 -","- C16 H18 Cu4 I5 N5 -","- C32 H36 Cu8 I10 N10 -","2","1","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0698","0.0519","","","0.1311","0.1462","","","","","","0.99","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215042","31.754","0.012","10.712","0.004","21.206","0.008","90","","90","","90","","7213","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Br3 Cu6 N15 -","- C36 H24 Br3 Cu6 N15 -","- C288 H192 Br24 Cu48 N120 -","8","0.5","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0708","0.0633","","","0.1752","0.1831","","","","","","1.022","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215043","29.964","0.002","16.0632","0.0013","8.618","0.0007","90","","101.391","0.002","90","","4066.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 Co2 N12 O21 -","- C27 H58 Co2 N12 O21 -","- C108 H232 Co8 N48 O84 -","4","0.5","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Cheng, Yi-Ting; Chen, I-Hsuan; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","A hydrogen-bonded and π‒π assembled 3D supramolecular network, [Co(en)3]·1.5(C5O5), with 1D microporous hydrophilic channels showing reversible water ad/de-sorption property","CrystEngComm","2012","14","14","4637","","10.1039/c2ce25327e","","","0.71073","MoKα","","0.1024","0.0655","","","0.1641","0.1936","","","","","","1.081","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215044","15.529","0.002","7.9238","0.0011","28.524","0.003","90","","119.779","0.005","90","","3046.4","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C48 H166 Mn8 N32 O10 S24 Sb6 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0492","0.0304","","","0.0752","0.1026","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215045","12.79","0.003","12.867","0.003","13.616","0.003","112.894","0.002","91.768","0.003","92.612","0.003","2059.2","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Mn N6 O S15 Sb8 -","- C8 H32 Mn N6 O S15 Sb8 -","- C16 H64 Mn2 N12 O2 S30 Sb16 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0544","0.0445","","","0.0972","0.1009","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215046","8.0133","0.0007","11.2963","0.0004","19.9503","0.0013","90","","90","","90","","1805.9","0.2","200","2","200","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C14 H22 N4 O8 Zn -","- C14 H22 N4 O8 Zn -","- C56 H88 N16 O32 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0995","0.0537","","","0.1133","0.141","","","","","","1.134","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215047","8.764","0.002","15.381","0.004","11.395","0.002","90","","106.617","0.01","90","","1471.9","0.6","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 O6 Zn -","- C12 H14 N4 O6 Zn -","- C48 H56 N16 O24 Zn4 -","4","1","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0731","0.0335","","","0.0678","0.077","","","","","","1.008","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215048","7.933","0.002","13.2295","0.0017","22.388","0.005","90","","90","","90","","2349.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1176","0.0514","","","0.108","0.1417","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215049","9.91","0.0009","16.496","0.003","18.716","0.003","90","","104.91","0.008","90","","2956.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N12 O12 Zn2 -","- C68 H56 N12 O12 Zn2 -","- C136 H112 N24 O24 Zn4 -","2","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1197","0.0574","","","0.1075","0.1351","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215050","9.404","0.002","11.923","0.0017","14.556","0.003","77.24","0.01","84.17","0.01","72.49","0.01","1516.9","0.5","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","1","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0812","0.0361","","","0.0721","0.0874","","","","","","0.85","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215051","10.6806","0.0015","9.1982","0.0013","7.5204","0.0011","90","","107.139","0.002","90","","706.01","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C20 H36 Ca2 Cl4 N4 O8 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.032","0.0283","","","0.0686","0.0711","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215052","5.872","0.0019","17.422","0.006","7.957","0.003","90","","104.233","0.005","90","","789","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Ca Cl2 N2 O6 -","- C10 H22 Ca Cl2 N2 O6 -","- C20 H44 Ca2 Cl4 N4 O12 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.069","0.0613","","","0.1596","0.1633","","","","","","1.09","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215053","7.6518","0.0012","9.7084","0.0015","19.982","0.003","90","","90","","90","","1484.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C40 H72 Ca4 Cl8 N8 O16 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0434","0.0358","","","0.0747","0.0783","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215054","6.9732","0.0006","11.7268","0.0011","12.1168","0.0011","90","","90","","90","","990.83","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Ca Cl2 N O3 -","- C5 H11 Ca Cl2 N O3 -","- C20 H44 Ca4 Cl8 N4 O12 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0238","0.0227","","","0.0542","0.0557","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215055","7.7297","0.0005","14.3257","0.0007","21.704","0.0003","90","","90","","90","","2403.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Be N2 O8 P2 -","- C7 H14 Be N2 O8 P2 -","- C56 H112 Be8 N16 O64 P16 -","8","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.051","0.0429","","","0.093","0.0964","","","","","","1.141","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215056","8.7135","0.0007","13.8526","0.0004","17.1154","0.0004","90","","98.947","0.005","90","","2040.77","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H25 Be3 N2 O17.5 P4 -","- C8 H10 Be3 N2 O17.5 P4 -","- C32 H40 Be12 N8 O70 P16 -","4","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0596","0.051","","","0.1471","0.1531","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215057","8.7901","0.0005","8.8969","0.0003","15.095","0.0002","88.59","0.003","75.26","0.004","62.81","0.007","1009.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H26 Be2 N2 O16 P4 -","- C8 H25.5 Be2 N2 O16 P4 -","- C16 H51 Be4 N4 O32 P8 -","2","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0681","0.0481","","","0.0982","0.1067","","","","","","1.064","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215058","9.3591","0.0006","9.3128","0.0005","15.1655","0.0003","90","","92.505","0.005","90","","1320.55","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 Be4 N2 O24 P6 -","- C8 H28 Be4 N2 O24 P6 -","- C16 H56 Be8 N4 O48 P12 -","2","0.5","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0524","0.0429","","","0.1077","0.1119","","","","","","1.129","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215059","20.872","0.008","20.872","0.008","5.882","0.002","90","","90","","90","","2562.4","1.6","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C18 H16 Cd2 N6 O7 -","- C18 H16 Cd2 N6 O7 -","- C72 H64 Cd8 N24 O28 -","4","0.5","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.0657","0.0429","","","0.1184","0.1351","","","","","","1.089","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215060","20.8164","0.0013","20.8164","0.0013","5.8701","0.0004","90","","90","","90","","2543.6","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd N3 O3 -","- C9 H7 Cd N3 O3 -","- C72 H56 Cd8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.039","0.0313","","","0.0865","0.0904","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215061","21.23","0.06","21.23","0.06","6.029","0.017","90","","90","","90","","2717","13","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd I N3 O3 -","- C9 H7 Cd I N3 O3 -","- C72 H56 Cd8 I8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.083","0.0611","","","0.179","0.2029","","","","","","1.086","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215062","9.1013","0.0011","10.8625","0.0014","12.5697","0.0016","76.698","0.002","86.585","0.002","79.993","0.002","1190.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Mg N3 O10 S2 -","- C21 H21 Mg N3 O10 S2 -","- C42 H42 Mg2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0602","0.0472","","","0.1405","0.1535","","","","","","1.053","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215063","18.538","0.017","16.748","0.016","16.019","0.015","90","","103.804","0.012","90","","4830","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ca N3 O9.5 S2 -","- C21 H18 Ca N3 O9.5 S2 -","- C168 H144 Ca8 N24 O76 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.1266","0.0637","","","0.1653","0.2067","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215064","8.9535","0.0011","11.451","0.0014","12.3912","0.0015","69.024","0.002","81.056","0.002","79.498","0.002","1160.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 N3 O9 Pb S2 -","- C21 H19 N3 O9 Pb S2 -","- C42 H38 N6 O18 Pb2 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0628","0.0445","","","0.0903","0.0991","","","","","","1.002","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215065","15.792","0.006","19.232","0.007","14.198","0.005","90","","91.16","0.005","90","","4311","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N3 O6.5 Pb S2 -","- C21 H13 N3 O6.5 Pb S2 -","- C168 H104 N24 O52 Pb8 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0816","0.0685","","","0.215","0.2229","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215066","13.85","0.0012","14.6293","0.0012","17.9504","0.0016","97.443","0.001","101.793","0.001","90.424","0.001","3528.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H57 N9 O27 Pb3 S6 -","- C63 H41 N9 O27 Pb3 S6 -","- C126 H82 N18 O54 Pb6 S12 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0754","0.0457","","","0.0985","0.1143","","","","","","0.987","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215067","14.2823","0.0019","17.776","0.003","27.245","0.003","90","","90","","90","","6917","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H30 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C160 H32 O128 Zn24 -","8","1","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0528","0.0486","","","0.1424","0.1461","","","","","","1.067","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215068","19.743","0.0003","26.8524","0.0005","29.2175","0.0005","90","","90","","90","","15489.6","0.5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C36 H34 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C320 H64 O256 Zn48 -","16","0.5","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0315","0.0291","","","0.107","0.1083","","","","","","1.014","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215069","41.0363","0.0018","12.1733","0.0004","14.1609","0.0005","90","","100.869","0.003","90","","6947.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu4 O23 Se -","- C18 H6 Cu4 O23 Se -","- C144 H48 Cu32 O184 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.0903","0.0639","","","0.1371","0.1453","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215070","38.391","0.006","12.3697","0.0011","14.1757","0.0014","90","","90.165","0.01","90","","6731.8","1.4","473","2","473","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Cu4 O15 Se -","- C18 H6 Cu4 O15 Se -","- C144 H48 Cu32 O120 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.249","0.1312","","","0.2912","0.3382","","","","","","1.071","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215071","14.3644","0.0017","8.318","0.001","8.8927","0.0011","90","","120.75","0.005","90","","913.1","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.1006","0.0634","","","0.1535","0.1739","","","","","","0.955","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215072","8.3544","0.0005","8.3544","0.0005","22.8701","0.0016","90","","90","","120","","1382.39","0.15","190","2","190","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.0426","0.0371","","","0.1036","0.1066","","","","","","1.2","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215073","7.1628","0.0004","7.9091","0.0004","10.2589","0.0004","91.372","0.004","101.829","0.004","102.587","0.005","553.73","0.05","101.893","0.002","101.829","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Eu N3 O7 -","- C9 H6 Eu N3 O7 -","- C18 H12 Eu2 N6 O14 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.71073","MoKα","","0.022","0.02","","","0.0426","0.0432","","","","","","1.042","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215074","7.1205","0.0003","7.8366","0.0005","10.2949","0.0006","91.199","0.005","102.326","0.004","102.157","0.004","547.33","0.05","102.2","","102.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N3 O7 Tb -","- C9 H6 N3 O7 Tb -","- C18 H12 N6 O14 Tb2 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.7107","MoKα","","0.0331","0.0305","","","0.0672","0.069","","","","","","1.043","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215075","10.7697","0.0011","10.158","0.0008","29.054","0.003","90","","91.111","0.004","90","","3177.9","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 I2 N4 S2 Zn -","- C8 H12 I2 N4 S2 Zn -","- C64 H96 I16 N32 S16 Zn8 -","8","2","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Garau, Alessandra; Jones, Peter G.; Lippolis, Vito; Montis, Riccardo","Reactivity of the drug methimazole and its iodine adduct with elemental zinc","CrystEngComm","2014","16","17","3613","","10.1039/c3ce42601g","","","0.71073","MoKα","","0.0234","0.0181","","","0.0395","0.0412","","","","","","1.058","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215129","8.998","0.012","9.624","0.013","13.044","0.018","94.09","0.03","106.38","0.03","91.93","0.03","1079","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C48 H48 F2 N6 O14 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1769","0.2131","","","","","","1.087","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215130","13.994","0.0017","13.6288","0.0018","22.537","0.003","90","","90","","90","","4298.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C192 H192 F8 N24 O56 -","8","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.1252","0.0592","","","0.1332","0.1709","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215131","9.8768","0.0019","10.2489","0.0019","13.674","0.003","89.319","0.004","74.752","0.004","71.679","0.004","1264","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 F N3 O9 -","- C28 H27 F N3 O9 -","- C56 H54 F2 N6 O18 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0801","0.0585","","","0.1782","0.23","","","","","","1.079","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215132","9.567","0.0008","8.1152","0.0006","30.906","0.003","90","","92.476","0.002","90","","2397.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F N4 O8 -","- C24 H27 F N4 O8 -","- C96 H108 F4 N16 O32 -","4","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.063","0.0472","","","0.1507","0.1659","","","","","","1.102","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215133","9.964","0.003","14.76","0.004","18.275","0.005","90","","90.283","0.005","90","","2687.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 F2 N8 O21 -","- C48 H64 F2 N8 O21 -","- C96 H128 F4 N16 O42 -","2","0.5","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0952","0.0797","","","0.2345","0.2475","","","","","","1.039","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215134","13.2068","0.0019","13.2068","0.0019","14.76","0.003","90","","90","","120","","2229.5","0.6","153","2","153","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B45 K21 O90 Yb8 -","- B45 K21 O90 Yb8.031 -","- B45 K21 O90 Yb8.031 -","1","0.0555556","","Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","A novel UV nonlinear optical crystal material: K21Yb8B45O90","CrystEngComm","2013","15","25","5064","","10.1039/c3ce40545a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0412","0.0415","","","","","","0.953","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215135","14.5329","0.0007","13.9697","0.0007","25.1208","0.0018","90","","97.713","0.007","90","","5053.9","0.5","200","","200","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C60 H116 Cl4 N O44 Ru4 V10 -","- C60 H116 Cl4 N O44 Ru4 V10 -","- C120 H232 Cl8 N2 O88 Ru8 V20 -","2","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.6988","","","","0.0708","","","","0.199","","","","","","0.864","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215136","39.7827","0.001","13.3368","0.0003","12.0345","0.0002","90","","90","","90","","6385.2","0.2","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H78 Cl4 Mo6 N O27 Ru2 -","- C39 H18 Cl4 Mo6 N O27 Ru2 -","- C156 H72 Cl16 Mo24 N4 O108 Ru8 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.71075","MoKα","","","0.0415","","","","0.108","","","","","","1.057","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215137","37.856","0.005","14.1562","0.0015","28.44","0.004","90","","131.399","0.002","90","","11433","3","113","","113","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C272 H528 Cl16 Mo48 N4 O224 P4 Ru16 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.7107","MoKα","","","0.0814","","","","0.1874","","","","","","1.106","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215138","4.2457","0.0004","4.2457","0.0004","17.449","0.003","90","","90","","120","","272.4","0.06","744","2","744","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0621","0.0348","","","0.0373","0.0396","","","","1.69","1.69","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215139","4.2418","0.0004","4.2418","0.0004","17.445","0.004","90","","90","","120","","271.83","0.07","692","2","692","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0582","0.0353","","","0.0373","0.039","","","","1.65","1.65","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215140","4.2257","0.0002","4.2257","0.0002","17.281","0.002","90","","90","","120","","267.24","0.04","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","","0.56085","AgKα","","0.0558","0.035","","","0.0399","0.0417","","","","1.91","1.91","1.63","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215141","4.2257","0.0002","4.2257","0.0002","17.2809","0.0018","90","","90","","120","","267.24","0.03","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge1.876 Sb2.039 Te5 -","- Ge1.86 Sb2.04 Te5 -","- Ge1.86 Sb2.04 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0371","0.0275","","","0.0324","0.0334","","","","1.43","1.43","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215142","4.2374","0.0002","4.2374","0.0002","17.3459","0.0018","90","","90","","120","","269.73","0.03","486","2","486","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge1.999 Sb2.001 Te5 -","- Ge1.999 Sb2.001 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0446","0.0298","","","0.0346","0.0359","","","","1.55","1.55","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215143","4.2434","0.0003","4.2434","0.0003","17.389","0.002","90","","90","","120","","271.16","0.04","589","2","589","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0567","0.036","","","0.0383","0.0401","","","","1.7","1.7","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215144","10.7437","0.0014","11.9023","0.0015","12.0615","0.0016","90.789","0.002","108.826","0.002","110.71","0.002","1351.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Br4 Cd N6 O5 -","- C23 H14 Br4 Cd N6 O5 -","- C46 H28 Br8 Cd2 N12 O10 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0483","0.0332","","","0.0697","0.0756","","","","","","1.003","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215145","12.5908","0.0013","12.7757","0.0014","13.737","0.0015","86.559","0.002","80.567","0.002","72.878","0.002","2083","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Br8 Cd N6 O10 -","- C33 H22 Br8 Cd N6 O10 -","- C66 H44 Br16 Cd2 N12 O20 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0674","0.0382","","","0.0791","0.0889","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215146","13.5703","0.001","14.408","0.0011","19.4879","0.0015","93.937","0.001","109.856","0.001","93.505","0.001","3560.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Br8 Cd2 N12 O9 -","- C46 H26 Br8 Cd2 N12 O9 -","- C92 H52 Br16 Cd4 N24 O18 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.092","0.0597","","","0.1568","0.1715","","","","","","0.959","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215147","13.6363","0.0011","16.8584","0.0015","8.226","0.0009","90","","99.159","0.001","90","","1866.9","0.3","145","13","145","13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N3 O13 Zn2 -","- C37 H37 N3 O13 Zn2 -","- C74 H74 N6 O26 Zn4 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.059","0.0422","","","0.0922","0.1032","","","","","","1.067","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215148","13.9411","0.0008","17.0817","0.0012","7.668","0.0018","90","","91.974","0.009","90","","1825","0.5","121.4","0.1","121.4","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 Cd2 N3 O13 -","- C37 H37 Cd2 N3 O13 -","- C74 H74 Cd4 N6 O26 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1512","0.081","","","0.2001","0.2618","","","","","","1.053","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215149","15.1064","0.0014","13.6928","0.0012","22.126","0.002","90","","90","","90","","4576.7","0.7","121.4","0.1","121.4","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O6 Zn -","- C27 H18 N2 O6 Zn -","- C216 H144 N16 O48 Zn8 -","8","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.075","0.0482","","","0.0968","0.1112","","","","","","1.035","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215150","7.3348","0.0005","18.9816","0.0016","33.871","0.003","90","","90","","90","","4715.7","0.7","125","6","125","6","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H42 N4 O13 Zn2 -","- C54 H42 N4 O13 Zn2 -","- C216 H168 N16 O52 Zn8 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.0904","0.0644","","","0.1173","0.1297","","","","","","1.08","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215151","10.2647","0.0011","13.926","0.0014","29.09","0.003","90","","99.377","0.001","90","","4102.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd2 N2 O16 -","- C42 H34 Cd2 N2 O16 -","- C168 H136 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.71073","MoKα","","0.1925","0.0728","","","0.1312","0.1652","","","","","","0.888","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215152","10.1479","0.0012","13.8385","0.0015","28.596","0.002","90","","100.104","0.001","90","","3953.5","0.7","121.2","0.14","121.2","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cd2 N2 O16 -","- C42 H36 Cd2 N2 O16 -","- C168 H144 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1347","0.0812","","","0.1943","0.2431","","","","","","1.073","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215153","19.507","0.002","12.5344","0.0009","11.6931","0.0014","90","","115.375","0.01","90","","2583.2","0.5","121.5","0.14","121.5","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O10 Zn -","- C27 H23 N3 O10 Zn -","- C108 H92 N12 O40 Zn4 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1437","0.079","","","0.169","0.2139","","","","","","1.083","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215154","9.378","0.002","12.245","0.003","13.488","0.003","90","","92.744","0.003","90","","1547.1","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl0 N7 O3 V -","- C13 H14 N7 O3 V -","- C52 H56 N28 O12 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0487","0.0425","","","0.1251","0.1293","","","","","","1.081","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215155","13.447","0.003","8.7943","0.0018","22.021","0.004","90","","105.599","0.003","90","","2508.2","0.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N10 O S2 V -","- C19 H24 N10 O S2 V -","- C76 H96 N40 O4 S8 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0946","0.0538","","","0.1201","0.1401","","","","","","1.023","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215156","9.3562","0.001","11.9681","0.0012","11.9868","0.0012","60.215","0.002","84.303","0.002","81.998","0.002","1152.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","1","0.5","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0737","0.0507","","","0.124","0.1332","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215157","8.009","0.0017","12.111","0.003","18.06","0.004","90","","92.664","0.003","90","","1749.9","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N5 O7 S V -","- C13 H17 N5 O7 S V -","- C52 H68 N20 O28 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0928","0.0531","","","0.1315","0.1535","","","","","","1.021","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215158","12.26","0.002","8.0264","0.0015","19.192","0.004","90","","102.58","0.002","90","","1843.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O6 S V -","- C15 H19 N5 O6 S V -","- C60 H76 N20 O24 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0564","0.0442","","","0.1167","0.1234","","","","","","1.066","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215159","15.139","0.004","4.0242","0.0007","20.829","0.005","90","","90.99","0.02","90","","1268.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br4 Hg N6 O2 -","- C22 H16 Br4 Hg N6 O2 -","- C44 H32 Br8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1037","0.0618","","","0.1583","0.1965","","","","","","0.952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215160","14.8401","0.0002","3.887","0.0002","20.9156","0.0002","90","","90.532","0.001","90","","1206.43","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C44 H32 Br4 Cl4 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0566","0.0318","","","0.058","0.0645","","","","","","0.986","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215161","13.5526","0.0008","4.4302","0.0003","22.2992","0.0014","90","","90.631","0.005","90","","1338.78","0.15","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Hg I2 N6 O2 -","- C22 H16 Br2 Hg I2 N6 O2 -","- C44 H32 Br4 Hg2 I4 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0647","0.0466","","","0.102","0.1087","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215162","14.5572","0.0007","7.3163","0.0004","24.0305","0.001","90","","101.012","0.004","90","","2512.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C88 H64 Br8 Cl8 Hg4 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0823","0.0713","","","0.1717","0.1798","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215163","14.906","0.003","3.8968","0.0008","20.955","0.004","90","","90.7","0.03","90","","1217.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 Hg N6 O2 -","- C22 H16 Cl4 Hg N6 O2 -","- C44 H32 Cl8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0375","0.03","","","0.0808","0.0924","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215164","14.5824","0.0012","7.4123","0.0006","24.848","0.002","90","","102.074","0.007","90","","2626.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0757","0.0671","","","0.1756","0.1846","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215165","4.1959","0.0013","11.098","0.004","13.238","0.004","105.92","0.03","94.03","0.03","92.17","0.03","590.3","0.3","298","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","1","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1465","0.1196","","","0.3144","0.3452","","","","","","1.309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215166","7.4778","0.0014","13.555","0.002","13.597","0.002","119.497","0.012","90.612","0.014","101.727","0.013","1164.6","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cl2 F2 Hg N6 O2 -","- C22 H16 Cl2 F2 Hg N6 O2 -","- C44 H32 Cl4 F4 Hg2 N12 O4 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1059","0.0739","","","0.1638","0.177","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215167","13.9671","0.0011","7.6637","0.0005","23.921","0.002","90","","101.728","0.007","90","","2507","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F2 Hg I2 N6 O2 -","- C22 H16 F2 Hg I2 N6 O2 -","- C88 H64 F8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0779","0.0499","","","0.1021","0.1125","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215168","7.893","0.003","8.012","0.003","13.861","0.005","101.27","0.03","92.18","0.03","115","0.03","771.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 Br2 Hg I N3 O -","- C11 H8 Br2 Hg I N3 O -","- C22 H16 Br4 Hg2 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1388","0.1121","","","0.2849","0.3025","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215169","43.913","0.008","4.098","0.0006","15.368","0.003","90","","104.707","0.013","90","","2674.9","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0788","0.0596","","","0.1261","0.1349","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215170","14.3544","0.0009","7.8891","0.0006","14.744","0.0011","90","","99.842","0.005","90","","1645.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Hg I3 N3 O -","- C11 H8 Hg I3 N3 O -","- C44 H32 Hg4 I12 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0694","0.0619","","","0.1592","0.1653","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215171","13.8783","0.0008","13.8783","0.0008","20.2283","0.0015","90","","90","","120","","3374.1","0.4","220","","220","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0617","0.0479","","","0.0873","0.0914","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215172","13.9053","0.0013","13.9053","0.0013","20.333","0.003","90","","90","","120","","3404.8","0.7","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0434","0.0287","","","0.0664","0.0736","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215173","13.8636","0.0003","13.8636","0.0004","20.1758","0.0004","90","","90","","120","","3358.25","0.14","140","","140","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0638","0.0562","","","0.1132","0.1163","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215174","13.8771","0.0008","13.8771","0.0008","20.2392","0.0013","90","","90","","120","","3375.4","0.4","230","","230","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0592","0.047","","","0.0964","0.1014","","","","","","1.168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215175","13.8749","0.001","13.8749","0.001","20.2458","0.0014","90","","90","","120","","3375.4","0.4","245","","245","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0707","0.0515","","","0.1101","0.1189","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215176","9.694","0.005","24.806","0.001","15.879","0.0007","90","","90","","90","","3818","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co3 N2 O17 -","- C36 H34 Co3 N2 O17 -","- C144 H136 Co12 N8 O68 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0422","0.0348","","","0.0879","0.0935","","","","","","1.063","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215177","9.678","0.0004","24.873","0.0012","15.827","0.0008","90","","90","","90","","3809.9","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 N2 O17 Zn3 -","- C36 H34 N2 O17 Zn3 -","- C144 H136 N8 O68 Zn12 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0406","0.0317","","","0.0753","0.0799","","","","","","1.08","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215178","13.444","0.0005","8.406","0.0004","23.783","0.0007","90","","93.752","0.003","90","","2681.96","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Co3 N6 O16 -","- C56 H48 Co3 N6 O16 -","- C112 H96 Co6 N12 O32 -","2","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0615","0.0441","","","0.0996","0.1098","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215179","9.653","0.0004","13.823","0.0005","15.233","0.0008","81.369","0.004","78.69","0.004","75.595","0.004","1919.45","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0877","0.0544","","","0.1319","0.1519","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215180","8.299","0.0004","12.733","0.0007","15.717","0.0007","76.61","0.004","84.891","0.004","86.738","0.004","1608.14","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0577","0.0417","","","0.0918","0.1013","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215181","8.286","0.0009","12.649","0.0014","15.745","0.0015","76.209","0.009","84.84","0.009","86.847","0.009","1595.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0731","0.0476","","","0.0828","0.0938","","","","","","1.028","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215182","8.261","0.0005","12.761","0.0007","15.75","0.0011","76.617","0.005","85.085","0.005","86.823","0.005","1608.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0584","0.0407","","","0.0882","0.0972","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215183","8.628","0.0004","11.714","0.0006","16.556","0.0008","78.743","0.004","80.461","0.004","84.379","0.004","1614.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H72 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.05","0.0383","","","0.0931","0.1007","","","","","","1.028","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215184","10.104","0.0006","10.537","0.0008","15.197","0.0009","70.911","0.006","87.456","0.005","87.386","0.006","1526.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0443","0.0341","","","0.0782","0.0844","","","","","","1.05","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215185","16.746","0.0008","7.019","0.0003","18.05","0.0009","90","","116.184","0.006","90","","1903.88","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N Ni O9 -","- C18 H21 N Ni O9 -","- C72 H84 N4 Ni4 O36 -","4","1","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0267","0.0237","","","0.0596","0.0615","","","","","","1.04","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215186","15.4078","0.0008","11.8022","0.0007","18.1893","0.001","90","","109.455","0.006","90","","3118.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ca2 H62 Na6 O72 W12 -","- Ca2 Na6 O72 W12 -","- Ca4 Na12 O144 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0859","0.0502","","","0.0804","0.0918","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215187","15.8131","0.0004","12.3772","0.0003","15.9268","0.0004","90","","101.166","0.002","90","","3058.22","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H54 O68 Sr4 W12 -","- O68 Sr4 W12 -","- O136 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0536","0.0335","","","0.0547","0.0558","","","","","","1.126","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215188","11.4169","0.0012","23.762","0.003","12.4588","0.0014","90","","110.587","0.001","90","","3164.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H62 Na2 O72 Sr4 W12 -","- Na2 O72 Sr4 W12 -","- Na4 O144 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0663","0.0582","","","0.1507","0.1574","","","","","","1.035","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215189","11.4467","0.0005","23.8573","0.0008","12.462","0.0005","90","","110.458","0.004","90","","3188.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 H61 Na2 O71.5 W12 -","- Ba4 Na2 O71.5 W12 -","- Ba8 Na4 O143 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0823","0.0618","","","0.1639","0.1785","","","","","","1.059","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7215192","13.7574","0.0009","11.2371","0.0008","19.0368","0.0012","90","","95.529","0.002","90","","2929.3","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag2 F6 N4 O9 S2 -","- C24 H18 Ag2 F6 N4 O9 S2 -","- C96 H72 Ag8 F24 N16 O36 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.146","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215193","12.4586","0.0005","9.8846","0.0004","21.2874","0.0009","90","","102.794","0.0018","90","","2556.43","0.18","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Ag2 Cl2 N4 O11 -","- C22 H18 Ag2 Cl2 N4 O11 -","- C88 H72 Ag8 Cl8 N16 O44 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0367","0.0285","","","0.0923","0.1269","","","","","","1.209","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215194","7.5345","0.0003","19.1191","0.001","23.0434","0.0011","90","","92.045","0.001","90","","3317.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Ag2 Cl2 N7 O11 -","- C28 H27 Ag2 Cl2 N7 O11 -","- C112 H108 Ag8 Cl8 N28 O44 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.062","0.0495","","","0.1094","0.1157","","","","","","1.069","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215195","7.8231","0.0005","18.8411","0.0011","22.8612","0.0013","90","","90.874","0.003","90","","3369.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Ag2 Cl2 N7 O10 -","- C28 H25 Ag2 Cl2 N7 O10 -","- C112 H100 Ag8 Cl8 N28 O40 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0838","0.0687","","","0.1704","0.1792","","","","","","1.066","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215196","7.989","0.0005","22.9536","0.0015","20.1547","0.0015","90","","91.046","0.003","90","","3695.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ag2 F12 N8 O2 P2 -","- C30 H25 Ag2 F12 N8 O2 P2 -","- C120 H100 Ag8 F48 N32 O8 P8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0874","0.0694","","","0.2074","0.2414","","","","","","1.149","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215197","27.5782","0.0015","10.6328","0.0005","18.6286","0.0009","90","","117.517","0.0017","90","","4844.6","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Ag2 F6 N8 O11 S2 -","- C46 H34 Ag2 F6 N8 O11 S2 -","- C184 H136 Ag8 F24 N32 O44 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0631","0.0596","","","0.1349","0.1368","","","","","","1.15","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215198","11.02","0.011","18.3216","0.0017","10.7558","0.001","90","","93.782","0.004","90","","2167","2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Ag B F4 N4 O2 -","- C22 H16 Ag B F4 N4 O2 -","- C88 H64 Ag4 B4 F16 N16 O8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0263","0.0221","","","0.0502","0.0559","","","","","","1.083","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215199","11.0709","0.0007","18.5174","0.0012","11.6388","0.0008","90","","96.473","0.003","90","","2370.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag F6 N4 O2 P -","- C22 H16 Ag F6 N4 O2 P -","- C88 H64 Ag4 F24 N16 O8 P4 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0368","0.034","","","0.0832","0.0846","","","","","","1.145","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215200","10.95","0.007","11.1081","0.0007","12.1273","0.0009","85.248","0.002","86.205","0.003","83.68","0.003","1458.7","0.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O2 P -","- C26 H22 Ag F6 N6 O2 P -","- C52 H44 Ag2 F12 N12 O4 P2 -","2","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0515","0.0446","","","0.1202","0.1247","","","","","","1.082","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215201","17.4704","0.0016","28.935","0.002","8.6998","0.0007","90","","113.244","0.002","90","","4040.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H38 Cd N8 O6 P2 -","- C32 H38 Cd N8 O6 P2 -","- C128 H152 Cd4 N32 O24 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0813","0.0533","","","0.1245","0.1369","","","","","","1.008","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215202","10.2738","0.0002","20.8895","0.0005","19.9247","0.0005","90","","97.822","0.002","90","","4236.34","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Co N6 O14 P2 -","- C33 H33 Co N6 O14 P2 -","- C132 H132 Co4 N24 O56 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1243","0.0677","","","0.1678","0.1988","","","","","","1.027","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215203","21.757","0.0003","14.2474","0.0002","14.6058","0.0002","90","","118.16","0.001","90","","3991.61","0.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cd N6 O8 P2 -","- C33 H34 Cd N6 O8 P2 -","- C132 H136 Cd4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0497","0.0376","","","0.1003","0.1051","","","","","","1.049","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215204","21.531","0.0004","14.105","0.0002","14.541","0.0002","90","","117.432","0.001","90","","3919.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Co N6 O8 P2 -","- C33 H34 Co N6 O8 P2 -","- C132 H136 Co4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1408","0.15","","","","","","1.062","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215205","21.6074","0.0006","14.0197","0.0004","14.471","0.0004","90","","117.832","0.002","90","","3876.6","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cu N6 O8 P2 -","- C33 H34 Cu N6 O8 P2 -","- C132 H136 Cu4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1212","0.064","","","0.1284","0.1452","","","","","","0.995","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215206","7.6515","0.0002","8.0147","0.0002","9.3307","0.0002","71.162","0.002","67.62","0.002","84.036","0.002","500.64","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","1","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0854","0.0518","","","0.1208","0.1383","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215207","15.8384","0.0008","8.4589","0.0005","17.7369","0.0011","90","","96.493","0.002","90","","2361.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 O6 P2 -","- C22 H32 O6 P2 -","- C88 H128 O24 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1295","0.0578","","","0.1142","0.1422","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215208","8.9485","0.0004","13.0362","0.0006","13.095","0.0006","82.837","0.001","71.006","0.001","87.486","0.001","1433.13","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Cd N4 O8 P2 -","- C25 H34 Cd N4 O8 P2 -","- C50 H68 Cd2 N8 O16 P4 -","2","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0326","0.0272","","","0.0709","0.0747","","","","","","1.035","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215209","21.576","0.0004","21.576","0.0004","8.9043","0.0004","90","","90","","120","","3589.82","0.19","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 H6 Cu N4 O4 -","- C3 H6 Cu N4 O4 -","- C54 H108 Cu18 N72 O72 -","18","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Lu, Kai-Hsiang","Impeller-like dodecameric water clusters in metal‒organic nanotubes","CrystEngComm","2014","16","25","5516","","10.1039/c3ce42087f","","","0.71073","MoKα","","0.0472","0.0359","","","0.1044","0.1117","","","","","","1.067","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215210","24.636","0.003","9.2458","0.0013","22.123","0.003","90","","90","","90","","5039.2","1.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 N8 O7 S3 Zn -","- C20 H22 N8 O7 S3 Zn -","- C160 H176 N64 O56 S24 Zn8 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0495","0.042","","","0.1071","0.1141","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215211","24.729","0.005","9.3762","0.0019","22.271","0.005","90","","90","","90","","5163.8","1.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 Mn N8 O7 S3 -","- C20 H22 Mn N8 O7 S3 -","- C160 H176 Mn8 N64 O56 S24 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.077","0.0481","","","0.1106","0.1308","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215212","6.9658","0.0007","18.5806","0.0019","21.667","0.002","90","","90","","90","","2804.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Coordination Polymer","","","- C10 H8 Cd N4 O6 S2 -","- C10 H8 Cd N4 O6 S2 -","- C80 H64 Cd8 N32 O48 S16 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0599","0.0484","","","0.1143","0.1316","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215213","17.867","0.004","13.437","0.003","12.678","0.003","90","","92.95","0.03","90","","3039.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 Co N8 O4 S3 -","- C20 H16 Co N8 O4 S3 -","- C80 H64 Co4 N32 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0602","0.0493","","","0.1352","0.1659","","","","","","1.162","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215214","17.711","0.004","13.498","0.003","12.67","0.003","90","","92.83","0.03","90","","3025.2","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 N8 Ni O4 S3 -","- C20 H16 N8 Ni O4 S3 -","- C80 H64 N32 Ni4 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0691","0.0522","","","0.1496","0.1668","","","","","","1.127","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215215","17.537","0.004","12.938","0.003","13.328","0.003","90","","93.78","0.03","90","","3017.5","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 Cu N8 O4 S3 -","- C20 H16 Cu N8 O4 S3 -","- C80 H64 Cu4 N32 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.075","0.0548","","","0.1456","0.176","","","","","","1.128","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215216","11.274","0.002","8.2761","0.0017","27.958","0.006","90","","95.47","0.03","90","","2596.7","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N S4 -","- C13 H7 N S4 -","- C104 H56 N8 S32 -","8","2","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.1039","0.0869","","","0.1718","0.1787","","","","","","1.26","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215217","11.119","0.002","8.3345","0.0017","28.069","0.006","90","","95.85","0.03","90","","2587.6","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 S8 -","- C26 H14 N2 S8 -","- C104 H56 N8 S32 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0491","0.0365","","","0.0745","0.0789","","","","","","1.076","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215218","3.9337","0.0004","11.3951","0.0009","27.644","0.002","90","","91.393","0.005","90","","1238.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S4 -","- C12 H6 N2 S4 -","- C48 H24 N8 S16 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0959","0.0849","","","0.2579","0.2704","","","","","","1.148","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215219","4.984","0.004","7.525","0.005","31.24","0.02","90","","92.611","0.01","90","","1170.4","1.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0774","0.0471","","","0.0986","0.1124","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215220","5.0871","0.0013","7.5857","0.0019","26.719","0.007","90","","90","","90","","1031.1","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0563","0.0477","","","0.1128","0.1176","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215221","5.0077","0.0009","30.877","0.006","7.4685","0.0014","90","","90.117","0.002","90","","1154.8","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0616","0.0603","","","0.1569","0.1578","","","","","","1.104","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215222","14.756","0.01","14.756","0.01","4.819","0.004","90","","90","","120","","908.7","1.2","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C36 H54 O9 -","3","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0707","0.0517","","","0.1213","0.13","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215223","16.149","0.002","17.459","0.002","8.1259","0.001","90","","90","","90","","2291.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0654","0.0434","","","0.1008","0.1143","","","","","","1.015","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215224","15.383","0.0019","20.014","0.003","7.6027","0.0011","90","","90","","90","","2340.7","0.6","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0662","0.0468","","","0.099","0.1084","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215225","18.8266","0.0005","18.8266","0.0005","25.4638","0.0017","90","","90","","90","","9025.4","0.7","173","","173","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C128 H201 Cl Mn4 N56 O24 Si2 -","- C56 H32 Cl Mn4 N32 O4 Si2 -","- C112 H64 Cl2 Mn8 N64 O8 Si4 -","2","0.125","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.1311","0.0841","","","0.2599","0.2943","","","","","","1.029","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215226","36.7051","0.0015","36.7051","0.0015","36.7051","0.0015","90","","90","","90","","49451","4","173","","173","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C124 H240 Mn2 N48 O32 Si -","- C28 H16 Mn2 N16 O4 Si -","- C672 H384 Mn48 N384 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.2798","0.1447","","","0.3462","0.4057","","","","","","0.906","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215227","36.97447","0.00015","36.97447","0.00015","36.97447","0.00015","90","","90","","90","","50548.2","0.4","173","","173","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C88 H156 Cd2 N36 O20 Si -","- C40 H44 Cd2 N20 O4 Si -","- C960 H1056 Cd48 N480 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.0601","0.0528","","","0.1293","0.1348","","","","","","1.063","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215228","36.1906","0.0018","36.1906","0.0018","36.1906","0.0018","90","","90","","90","","47401","4","100","2","100","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C28 H16 Cu2 N16 O4 Si -","- C28 H16 Cu2 N16 O4 Si -","- C672 H384 Cu48 N384 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","0.71075","MoKα","","0.2228","0.1359","","","0.371","0.4402","","","","","","1.107","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215230","12.761","0.003","14.961","0.003","17.532","0.006","90","","132.259","0.019","90","","2477.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cd N4 O4 -","- C27 H24 Cd N4 O4 -","- C108 H96 Cd4 N16 O16 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0476","0.0411","","","0.1337","0.1413","","","","","","1.002","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215231","9.4806","0.0019","18.127","0.004","18.693","0.004","61.88","0.03","83.98","0.03","86.35","0.03","2817.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N8 O18 Zn3 -","- C56 H46 N8 O18 Zn3 -","- C112 H92 N16 O36 Zn6 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0782","0.0643","","","0.1982","0.2129","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215232","12.156","0.002","18.59","0.004","21.024","0.004","74.05","0.03","75.94","0.03","75.58","0.03","4345.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H74 Cd3 N12 O16 -","- C75 H66 Cd3 N12 O13 -","- C150 H132 Cd6 N24 O26 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0911","0.0685","","","0.195","0.2142","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215233","11.65","0.002","15.49","0.003","17.108","0.006","90","","115.37","0.02","90","","2789.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O8 Zn2 -","- C28 H23 N4 O8 Zn2 -","- C112 H92 N16 O32 Zn8 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0929","0.0824","","","0.3068","0.3213","","","","","","1.05","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215234","9.4698","0.0019","11.079","0.002","11.161","0.002","77.45","0.03","78.01","0.03","85.11","0.03","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cd N4 O4 -","- C24 H21 Cd N4 O4 -","- C48 H42 Cd2 N8 O8 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0746","0.0567","","","0.1407","0.1635","","","","","","0.959","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215235","12.005","0.002","18.834","0.004","16.723","0.006","90","","123.27","0.02","90","","3161.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Cd N4 O8 S -","- C33 H28 Cd N4 O8 S -","- C132 H112 Cd4 N16 O32 S4 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0448","0.0419","","","0.1658","0.1716","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215236","10.591","0.002","14.358","0.003","14.998","0.003","71.38","0.03","82.17","0.03","85.58","0.03","2139.8","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H33 Ag3 Cl3 N7 -","- C47 H33 Ag3 Cl3 N7 -","- C94 H66 Ag6 Cl6 N14 -","2","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0424","0.0356","","","0.0823","0.0865","","","","","","1.11","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215237","9.6655","0.0009","20.3062","0.0016","24.3648","0.0019","90","","90","","90","","4782.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1014","0.0631","","","0.099","0.1159","","","","","","1.041","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215238","9.681","0.002","20.34","0.005","23.673","0.005","90","","90","","90","","4661.5","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H35 Ag3 Cl3 N7 -","- C52 H35 Ag3 Cl3 N7 -","- C208 H140 Ag12 Cl12 N28 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0807","0.061","","","0.0679","0.0731","","","","","","1.074","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215239","14.337","0.003","29.013","0.006","10.568","0.002","90","","100.72","0.03","90","","4319.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Ag3 I3 N6 -","- C45 H30 Ag3 I3 N6 -","- C180 H120 Ag12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0869","0.0615","","","0.1263","0.1428","","","","","","1.191","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215240","14.6187","0.0003","16.8833","0.0005","18.7304","0.0005","109.403","0.003","97.433","0.002","92.184","0.002","4307.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C194 H158 Ag12 Cl6 N24 -","4","2","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","1.54178","CuKα","","0.0441","0.037","","","0.0918","0.0975","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215241","29.9358","0.0006","17.05","0.0004","17.3679","0.0006","90","","98.081","0.002","90","","8776.6","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Cl5 N6 -","- C46 H32 Au3 Cl5 N6 -","- C368 H256 Au24 Cl40 N48 -","8","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0681","0.041","","","0.06","0.067","","","","","","0.991","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215242","14.567","0.003","28.956","0.006","10.803","0.002","90","","102.74","0.03","90","","4444.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Au3 I3 N6 -","- C45 H30 Au3 I3 N6 -","- C180 H120 Au12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1134","0.0938","","","0.2154","0.2296","","","","","","1.237","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215243","7.151","0.0001","24.8988","0.0004","28.6097","0.0004","90","","93.406","0.001","90","","5085","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROD-8","","","- C49 H37 Cd2 N O12 -","- C47 H33 Cd2 N O11 -","- C188 H132 Cd8 N4 O44 -","4","1","","Li, Ru-Jin; Li, Mian; Zhou, Xiao-Ping; Ng, Seik Weng; O'Keeffe, Michael; Li, Dan","ROD-8, a rod MOF with a pyrene-cored tetracarboxylate linker: framework disorder, derived nets and selective gas adsorption","CrystEngComm","2014","16","28","6291","","10.1039/c4ce00279b","","","1.54178","CuKα","","0.0887","0.0523","","","0.1249","0.1429","","","","","","1.06","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215244","9.2826","0.001","19.692","0.002","13.6649","0.0015","90","","108.704","0.005","90","","2365.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Succinic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene butanedioic acid","","- C26 H24 N2 O4 S2 -","- C26 H24 N2 O4 S2 -","- C104 H96 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1029","0.0591","","","0.1319","0.1523","","","","","","1.041","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215245","11.6886","0.0012","15.1755","0.0015","12.1662","0.0012","90","","117.334","0.005","90","","1917.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4p3tc","rctt-1,3-bis(4-pyridyl)-2,4-bis(3-thienyl) cyclobutane","","- C22 H18 N2 S2 -","- C22 H18 N2 S2 -","- C88 H72 N8 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0822","0.0443","","","0.1052","0.1268","","","","","","1.037","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215246","15.935","0.0016","7.3782","0.0007","21.823","0.003","90","","100.382","0.005","90","","2523.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Glutaric Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene pentanedioic acid","","- C27 H26 N2 O4 S2 -","- C27 H26 N2 O4 S2 -","- C108 H104 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0564","0.0408","","","0.096","0.1041","","","","","","1.055","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215247","5.6534","0.0006","8.1587","0.0008","18.996","0.002","83.851","0.005","83.879","0.005","74.142","0.005","835.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPTE Adipic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene hexanedioic acid","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C34 H38 N2 O8 S2 -","2","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1643","0.061","","","0.1012","0.1279","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215248","23.1286","0.0007","9.4276","0.0003","23.3606","0.0007","90","","93.1691","0.0016","90","","5085.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F3 I3 P Se -","- C24 H15 F3 I3 P Se -","- C192 H120 F24 I24 P8 Se8 -","8","2","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0379","0.0287","","","0.0641","0.0681","","","","","","1.017","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7215249","13.7022","0.0003","12.7689","0.0003","13.9386","0.0003","90","","101.214","0.001","90","","2392.16","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F4 I2 P Se -","- C24 H15 F4 I2 P Se -","- C96 H60 F16 I8 P4 Se4 -","4","1","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0179","0.0164","","","0.0416","0.0424","","","","","","1.049","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215250","12.243","0.0003","12.0173","0.0002","19.2931","0.0004","90","","101.549","0.001","90","","2781.08","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C104 H68 Br4 F12 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0551","0.041","","","0.0933","0.1005","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215251","8.5187","0.0003","11.9891","0.0004","13.4341","0.0004","77.04","0.002","89.004","0.002","84.019","0.002","1329.79","0.08","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C52 H34 F8 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.047","0.0403","","","0.097","0.1017","","","","","","1.043","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215252","10.0523","0.0002","11.6515","0.0004","13.0988","0.0004","69.74","0.001","78.794","0.002","82.263","0.002","1408.05","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C52 H34 F6 I2 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0375","0.0324","","","0.0716","0.0744","","","","","","1.046","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215253","20.461","0.0003","8.9968","0.0001","31.6923","0.0004","90","","104.268","0.001","90","","5654.07","0.13","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C208 H136 Br8 F24 N32 O56 Re8 S8 -","8","2","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0564","0.0462","","","0.0886","0.0921","","","","","","1.156","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215254","10.8109","0.0004","11.2437","0.0004","13.6707","0.0005","109.009","0.002","91.179","0.002","117.018","0.002","1371.34","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 Cl F3 N4 O7 Re S -","- C26 H17 Cl F3 N4 O7 Re S -","- C52 H34 Cl2 F6 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0872","0.059","","","0.1118","0.1228","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215255","8.3032","0.0003","18.0645","0.0005","18.8024","0.0007","90","","96.999","0.001","90","","2799.22","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C104 H68 F16 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1082","0.0572","","","0.0935","0.1096","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215256","9.305","0.0003","18.728","0.0008","17.282","0.0006","90","","101.354","0.002","90","","2952.69","0.19","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1073","0.0607","","","0.1403","0.1706","","","","","","1.055","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215257","8.563","0.0008","20.396","0.002","16.227","0.0018","90","","94.112","0.007","90","","2826.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1056","0.0732","","","0.1676","0.1852","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215258","11.4748","0.0007","26.9371","0.0018","23.6378","0.0013","90","","96.295","0.003","90","","7262.3","0.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 F6 N10 O15 Re2 S2 -","- C58 H45 F6 N10 O15 Re2 S2 -","- C232 H180 F24 N40 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1783","0.0897","","","0.2165","0.2757","","","","","","1.058","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215259","12.1162","0.001","27.444","0.003","19.0654","0.0016","90","","99.666","0.004","90","","6249.6","1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54 H42 F6 N8 O15 Re2 S2 -","- C54 H40 F6 N8 O15 Re2 S2 -","- C216 H160 F24 N32 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2588","0.1206","","","0.23","0.2559","","","","","","0.775","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215260","12.8722","0.0004","4.9256","0.0002","17.571","0.0005","90","","104.327","0.002","90","","1079.41","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0442","0.0355","","","0.0815","0.0861","","","","","","1.031","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215261","10.8408","0.0005","21.2412","0.0011","4.8537","0.0002","90","","90","","90","","1117.67","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0431","0.0341","","","0.0731","0.0782","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215262","10.512","0.0012","4.8327","0.0006","21.187","0.002","90","","101.264","0.007","90","","1055.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2443","0.0919","","","0.146","0.192","","","","","","0.979","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215263","9.8494","0.0018","3.8718","0.0007","13.972","0.002","90","","96.018","0.01","90","","529.88","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C24 H18 Br2 N4 O2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0908","0.0806","","","0.1669","0.1746","","","","","","1.163","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215264","17.4918","0.0003","10.4582","0.0002","14.8252","0.0003","90","","97.197","0.001","90","","2690.65","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Co N6 O2 -","- C33 H27 Co N6 O2 -","- C132 H108 Co4 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0365","0.0326","","","0.0866","0.0899","","","","","","0.897","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215265","10.0207","0.0001","10.1954","0.0001","15.5113","0.0002","106.449","0.001","92.122","0.001","103.141","0.001","1471.3","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C66 H42 Co2 F12 N12 O4 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0654","0.0463","","","0.113","0.124","","","","","","1.04","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215266","13.2927","0.0015","14.5956","0.0016","17.1232","0.0017","90","","90","","90","","3322.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Co N6 O3 -","- C37 H35 Co N6 O3 -","- C148 H140 Co4 N24 O12 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0735","0.0416","","","0.0991","0.1147","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215267","13.3859","0.0005","13.508","0.0005","17.1308","0.0007","90","","96.215","0.002","90","","3079.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C132 H84 Co4 F24 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0743","0.0598","","","0.1441","0.1569","","","","","","1.043","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215268","9.4261","0.0002","13.4558","0.0002","13.9409","0.0002","106.57","0.001","106.717","0.001","98.302","0.001","1573","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0389","0.0322","","","0.0841","0.0885","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215269","8.7796","0.0004","16.0109","0.0007","25.1541","0.0011","83.011","0.002","82.318","0.002","79.518","0.002","3428.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C138 H98 Cd2 Cl4 Co4 F24 N26 O10 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1146","0.0788","","","0.1975","0.2165","","","","","","1.103","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215270","21.3913","0.0005","14.0119","0.0003","26.0194","0.0007","90","","97.703","0.001","90","","7728.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C276 H244 Cd4 Cl8 Co8 N52 O20 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.098","0.0592","","","0.1615","0.175","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215271","23.1158","0.0007","25.2786","0.0008","15.2033","0.0005","90","","100.685","0.001","90","","8729.8","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C264 H168 Cd4 Cl8 Co8 F48 N48 O16 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0554","0.0402","","","0.1182","0.1231","","","","","","1.129","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215272","12.1312","0.0006","17.8056","0.0008","22.2981","0.001","102.464","0.002","105.322","0.002","94.702","0.002","4486.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1093","0.0529","","","0.1216","0.1409","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215273","11.3197","0.0005","16.7537","0.0009","24.2708","0.0013","99.224","0.002","102.917","0.002","94.544","0.002","4396.6","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0877","0.0606","","","0.1524","0.1615","","","","","","1.048","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215281","10.869","0.005","12.13","0.005","13.783","0.004","90","","117.75","0.02","90","","1608.2","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C56 H64 Mn4 N8 O24 -","4","1","","Matoga, Dariusz; Gil, Barbara; Nitek, Wojciech; Todd, Alexander D.; Bielawski, Christopher W.","Dynamic 2D manganese(ii) isonicotinate framework with reversible crystal-to-amorphous transformation and selective guest adsorption","CrystEngComm","2014","16","23","4959","","10.1039/c4ce00647j","","x-ray","1.5418","CuKα","","0.0366","0.0329","","","0.0832","0.0867","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215282","19.9588","0.0008","19.9588","0.0008","7.6768","0.0004","90","","90","","120","","2648.4","0.2","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","JA81","","","- C2 H5 Br Cu N S -","- C2 H5 Br Cu N S -","- C36 H90 Br18 Cu18 N18 S18 -","18","3","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0412","0.0295","","","0.0842","0.1004","","","","","","1.003","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215283","11.7896","0.0002","11.7896","0.0002","8.1509","0.0001","90","","90","","120","","981.15","0.03","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","JA100","","","- C2 H5 Cu I N S -","- C2 H5 Cu I N S -","- C12 H30 Cu6 I6 N6 S6 -","6","1","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0605","0.0311","","","0.0862","0.1109","","","","","","1.005","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215284","8.8371","0.0003","8.4068","0.0002","7.4343","0.0002","90","","90","","90","","552.31","0.03","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgTAA","","","- C2 H5 Ag Cl N S -","- C2 H5 Ag Cl N S -","- C8 H20 Ag4 Cl4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0391","0.0296","","","0.072","0.0785","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215285","8.9917","0.0002","8.4982","0.0002","7.7639","0.0002","90","","90","","90","","593.26","0.02","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgBrTAA_py","","","- C2 H5 Ag Br N S -","- C2 H5 Ag Br N S -","- C8 H20 Ag4 Br4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0345","0.0285","","","0.0738","0.0767","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215286","4.0277","0.0002","6.3237","0.0006","14.0649","0.0014","97.11","0.008","91.015","0.006","100.632","0.007","349.07","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 B F O2 -","- C7 H6 B F O2 -","- C14 H12 B2 F2 O4 -","2","1","","Sene, Saad; Berthomieu, Dorothée; Donnadieu, Bruno; Richeter, Sébastien; Vezzani, Joris; Granier, Dominique; Bégu, Sylvie; Mutin, Hubert; Gervais, Christel; Laurencin, Danielle","A combined experimental-computational study of benzoxaborole crystal structures","CrystEngComm","2014","16","23","4999","","10.1039/c4ce00313f","","","0.71073","MoKα","","0.048","0.037","","","0.0906","0.0975","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215287","24.6035","0.0005","11.9649","0.0003","18.4269","0.0004","90","","114.571","0.001","90","","4933.3","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd N8 O10 -","- C46 H38 Cd N8 O10 -","- C184 H152 Cd4 N32 O40 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0577","0.0483","","","0.1441","0.1508","","","","","","1.087","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215288","24.665","0.002","11.9542","0.0011","17.8777","0.0018","90","","112.764","0.004","90","","4860.6","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Br2 Cd N6 O4 -","- C46 H38 Br2 Cd N6 O4 -","- C184 H152 Br8 Cd4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0562","0.0397","","","0.1292","0.1388","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215289","25.611","0.0007","11.5667","0.0003","18.5397","0.0006","90","","114.345","0.001","90","","5003.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd I2 N6 O4 -","- C46 H38 Cd I2 N6 O4 -","- C184 H152 Cd4 I8 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0406","0.0311","","","0.1106","0.1178","","","","","","0.809","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215290","24.4845","0.0018","11.8901","0.0008","18.1106","0.0013","90","","114.564","0.004","90","","4795.2","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl2 Co N6 O4 -","- C46 H38 Cl2 Co N6 O4 -","- C184 H152 Cl8 Co4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.1181","0.0731","","","0.215","0.2277","","","","","","1.33","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215291","9.4682","0.0014","10.4331","0.0017","10.7425","0.0017","67.349","0.009","73.251","0.009","85.916","0.009","936.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0751","0.0457","","","0.1282","0.1539","","","","","","0.912","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215293","10.373","0.006","11.875","0.007","15.088","0.009","93.108","0.007","104.184","0.005","105.905","0.006","1718.1","1.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Zn_NDI_CID","Zn_NDI_CID","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C60 H28 N8 O16 S2 Zn2 -","2","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71075","MoKα","","0.0972","0.0757","","","0.2074","0.2183","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215294","17.615","0.005","16.644","0.005","19.66","0.005","90","0.005","91.89","0.005","90","0.005","5761","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C120 H56 N16 O32 S4 Zn4 -","4","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71073","MoKα","","0.0887","0.0643","","","0.1819","0.1911","","","","","","0.88","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215295","7.2013","0.0016","7.3815","0.0016","11.328","0.002","77.121","0.003","77.612","0.002","75.969","0.003","561.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-(1-H-imidaozol-1-yl)benzoic Acid","","","- C10 H11 Cl N2 O3 -","- C10 H9 Cl N2 O3 -","- C20 H18 Cl2 N4 O6 -","2","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0925","0.0731","","","0.2171","0.2427","","","","","","1.056","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215296","14.465","0.008","7.83","0.004","11.406","0.006","90","","111.139","0.006","90","","1204.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(1-Methyl-imidaozol-1-yl)benzoic Acid","","","- C11 H13 Cl N2 O3 -","- C11 H11 Cl N2 O3 -","- C44 H44 Cl4 N8 O12 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0927","0.0522","","","0.1393","0.1654","","","","","","1.037","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215297","8.0674","0.0004","8.0674","0.0004","28.0367","0.0006","90","","90","","90","","1824.71","0.13","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0706","0.0435","","","0.1008","0.1141","","","","","","1.007","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215298","8.0814","0.0003","8.0814","0.0003","28.0836","0.0004","90","","90","","90","","1834.11","0.1","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0461","0.0329","","","0.0691","0.0742","","","","","","0.976","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215299","19.0367","0.0016","8.23","0.0007","18.2963","0.0015","90","","90","","90","","2866.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.85 H20.65 Cd N4.95 O6.7 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0359","0.0282","","","0.0686","0.072","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215300","18.8725","0.0015","18.8725","0.0015","8.0221","0.0013","90","","90","","90","","2857.2","0.6","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H27.85 Cd N5.3 O6.05 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0752","0.0462","","","0.0605","0.0653","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215301","18.5718","0.0009","18.5718","0.0009","7.7776","0.0008","90","","90","","90","","2682.6","0.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26 H29.5 Co N5 O6.3 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0574","0.0509","","","0.1275","0.1315","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215302","15.573","0.002","19.416","0.003","19.664","0.003","90","","90","","90","","5945.7","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30.8 H37.8 Cd N6.2 O6.2 -","- C22 H18 Cd N4 O4 -","- C176 H144 Cd8 N32 O32 -","8","","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0665","0.0451","","","0.0785","0.084","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215303","9.5451","0.0003","14.2427","0.0005","7.3811","0.0002","90","","102.716","0.002","90","","978.83","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxyaspirin","2-acetyloxy-3-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0503","0.0403","","","0.1013","0.107","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215304","4.9084","0.0001","10.0101","0.0005","17.4781","0.0009","90","","96.917","0.003","90","","852.51","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-fluoroaspirin","2-acetyloxy-4-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0692","0.0477","","","0.1084","0.1215","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215305","5.0688","0.0001","9.4619","0.0003","20.0281","0.0006","90","","94.069","0.002","90","","958.14","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-methoxyaspirin","2-acetyloxy-4-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0729","0.0534","","","0.1239","0.1327","","","","","","1.052","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215306","5.0385","0.0001","17.3609","0.0005","10.8931","0.0003","90","","95.402","0.002","90","","948.62","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxyaspirin","2-acetyloxy-5-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0437","0.0374","","","0.0924","0.097","","","","","","1.06","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215307","7.3711","0.0002","7.0952","0.0001","16.7141","0.0004","90","","100.919","0.001","90","","858.31","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-fluoroaspirin","2-acetyloxy-6-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0439","0.0387","","","0.0877","0.0918","","","","","","1.041","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215308","18.0847","0.0008","18.0847","0.0008","9.9217","0.0009","90","","90","","90","","3245","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","cadmium 2-nitroimidazolate","","","- C4.5 H3 Cd0.75 N4.5 O3 -","- C4.5 H3 Cd0.75 N4.5 O3 -","- C72 H48 Cd12 N72 O48 -","16","1","","Li, Yan-Tao; Yao, Shi-Yan; Wang, Yan; Cui, Ke-Hui; Li, Hai-Qin; Wang, Xin; Zhu, Jian-Qi; Li, Jia; Tian, Yun-Qi","A novel cadmium imidazolate framework (CdIF) with ice-XII structure of itv topology","CrystEngComm","2011","13","10","3470","","10.1039/c1ce05055a","","","0.71073","MoKα","","0.0338","0.0255","","","0.0623","0.0668","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215309","16.744","0.006","15.092","0.006","22.518","0.008","90","","90","","90","","5690","4","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H48 Co3 N6 O14 S3 -","- C50 H48 Co3 N6 O14 S3 -","- C200 H192 Co12 N24 O56 S12 -","4","0.5","","Zou, Hua-Hong; He, Yan-Ping; Gui, Liu-Cheng; Liang, Fu-Pei","A new 8-connected porous coordination polymer: crystal structure and selective adsorption properties","CrystEngComm","2011","13","10","3325","","10.1039/c1ce05103b","","","0.71073","MoKα","","0.1027","0.0825","","","0.2235","0.2415","","","","","","1.121","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215310","7.546","0.0015","10.948","0.002","7.804","0.0016","90","","90","","90","","644.7","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H6 N O3 P -","- C5 H6 N O3 P -","- C20 H24 N4 O12 P4 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0254","0.0209","","","0.0516","0.0531","","","","","","0.955","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215311","19.948","0.003","28.534","0.004","5.304","0.001","90","","90","","90","","3019","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-(dihydroxyphosphoryl)nicotinic acid","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C96 H96 N16 O80 P16 -","16","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0301","0.0249","","","0.0576","0.0592","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215312","7.0495","0.0014","10.49","0.002","10.813","0.002","90","","90","","90","","799.6","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0278","0.022","","","0.0548","0.0548","","","","","","1.002","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215313","10.0108","0.0002","18.514","0.0004","18.8711","0.0004","90","","96.628","0.002","90","","3474.19","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cd N7 O7 -","- C35 H29 Cd N7 O7 -","- C140 H116 Cd4 N28 O28 -","4","1","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","1.54184","CuKα","","0.133","0.0722","","","0.1716","0.2049","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215314","10.175","0.0003","13.289","0.0004","15.712","0.0007","109.992","0.003","94.333","0.003","90.49","0.002","1989.44","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","0.71069","MoKα","","0.0853","0.0431","","","0.0958","0.1048","","","","","","0.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215315","7.8127","0.0017","18.72","0.004","13.281","0.003","90","","94.294","0.004","90","","1936.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N5 O5 Zn -","- C17 H17 N5 O5 Zn -","- C68 H68 N20 O20 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.0827","0.0526","","","0.1508","0.191","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215316","9.267","0.004","13.257","0.006","16.324","0.007","90","","94.975","0.009","90","","1997.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.1189","0.064","","","0.1675","0.198","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215317","10.283","0.003","10.282","0.003","17.38","0.005","93.327","0.004","98.686","0.005","111.005","0.007","1683.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl N12 O7 Zn2 -","- C26 H28 Cl N12 O7 Zn2 -","- C52 H56 Cl2 N24 O14 Zn4 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.0685","0.0557","","","0.1567","0.1683","","","","","","1.091","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215318","10.3742","0.0003","10.9261","0.0005","11.5914","0.0011","68.78","0.03","65.22","0.02","62.77","0.02","1036.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 Zn -","- C16 H18 N6 O7 Zn -","- C32 H36 N12 O14 Zn2 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.126","0.0717","","","0.1868","0.2686","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215319","9.303","0.006","8.413","0.006","8.161","0.006","90","","90","","90","","638.7","0.8","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H5 N3 O2 Zn -","- C4 H5 N3 O2 Zn -","- C16 H20 N12 O8 Zn4 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.03","0.0276","","","0.0628","0.0645","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215320","7.663","0.003","10.104","0.004","17.426","0.008","90","","90","","90","","1349.2","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H9 N9 O2 Zn2 -","- C8 H9 N9 O2 Zn2 -","- C32 H36 N36 O8 Zn8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0349","0.0312","","","0.0738","0.0761","","","","","","1.107","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215321","11.856","0.008","12.019","0.008","16.688","0.012","90","","90","","90","","2378","3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H20 Cd3 Cl3 N11 O2 -","- C12 H20 Cd3 Cl3 N11 O2 -","- C48 H80 Cd12 Cl12 N44 O8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0463","0.0418","","","0.0929","0.0956","","","","","","1.072","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215322","7.09","0.02","7.24","0.02","11.96","0.03","90","","90","","90","","614","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H5 Cd Cl2 N3 O -","- C2 H3 Cd Cl2 N3 O -","- C8 H12 Cd4 Cl8 N12 O4 -","4","0.25","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0636","0.0624","","","0.2184","0.2198","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215323","16.562","0.007","10.103","0.004","7.904","0.003","90","","90","","90","","1322.5","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cd2 Cl N12 -","- C6 H9 Cd2 Cl N12 -","- C24 H36 Cd8 Cl4 N48 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0274","0.0254","","","0.0579","0.0592","","","","","","1.079","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215324","14.277","0.0007","13.671","0.0008","25.33","0.0013","90","","93.47","0.001","90","","4934.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co N4 O19 Y2 -","- C50 H34 Co N4 O19 Y2 -","- C200 H136 Co4 N16 O76 Y8 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1145","0.0505","","","0.1087","0.1365","","","","","","0.975","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215325","14.217","0.003","13.665","0.002","25.382","0.005","90","","93.176","0.008","90","","4923.5","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N4 O19 Y2 Zn -","- C50 H34 N4 O19 Y2 Zn -","- C200 H136 N16 O76 Y8 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0793","0.0439","","","0.0866","0.0975","","","","","","1.021","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215326","14.24","0.0013","13.651","0.0014","25.338","0.003","90","","93.315","0.002","90","","4917.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co Er2 N4 O19 -","- C50 H34 Co Er2 N4 O19 -","- C200 H136 Co4 Er8 N16 O76 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1086","0.0532","","","0.0987","0.1298","","","","","","0.969","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215327","14.294","0.003","13.645","0.002","25.265","0.005","90","","93.582","0.009","90","","4918.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Er2 N4 O19 Zn -","- C50 H34 Er2 N4 O19 Zn -","- C200 H136 Er8 N16 O76 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.049","0.0341","","","0.0619","0.0662","","","","","","1.034","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215328","14.479","0.0013","13.914","0.0013","25.214","0.002","90","","93.886","0.001","90","","5068","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Co2 N8 O35 Sm4 -","- C100 H68 Co2 N8 O35 Sm4 -","- C200 H136 Co4 N16 O70 Sm8 -","2","0.5","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1362","0.0708","","","0.1748","0.2129","","","","","","1.022","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7215329","13.552","0.0008","17.794","0.001","19.514","0.0011","73.946","0.001","81.002","0.001","86.582","0.001","4465.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 N14 Ni2 O30 Y2 -","- C88 H75 N14 Ni2 O30 Y2 -","- C176 H150 N28 Ni4 O60 Y4 -","2","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0914","0.0512","","","0.1059","0.1234","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215330","7.432","0.014","24.68","0.03","11.157","0.018","90","","91.7","0.14","90","","2046","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1298","0.0728","","","0.2","0.226","","","","","","1.104","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215331","8.2036","0.0004","26.8324","0.0016","10.988","0.0006","90","","90.202","0.004","90","","2418.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 I4 N2 Zn -","- C16 H24 I4 N2 Zn -","- C64 H96 I16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0793","0.0592","","","0.149","0.1603","","","","","","1.089","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215332","7.868","0.0009","25.864","0.003","11.0185","0.0014","90","","91.086","0.002","90","","2241.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Cd N2 -","- C16 H24 Br4 Cd N2 -","- C64 H96 Br16 Cd4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0803","0.0417","","","0.1188","0.1329","","","","","","0.891","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215333","10.94","0.002","8.214","0.002","13.556","0.003","90","","99.132","0.017","90","","1202.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1048","0.0654","","","0.1924","0.2383","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215334","7.8392","0.0016","25.756","0.005","11.016","0.002","90","","91.03","0.03","90","","2223.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Hg N2 -","- C16 H24 Br4 Hg N2 -","- C64 H96 Br16 Hg4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0899","0.0426","","","0.1017","0.1085","","","","","","0.895","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215335","10.8319","0.0016","8.396","0.0012","13.5792","0.0019","90","","98.66","0.003","90","","1220.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0581","0.0375","","","0.089","0.0967","","","","","","1.045","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215336","7.6962","0.0017","25.541","0.004","11.1314","0.0019","90","","91.782","0.016","90","","2187","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br Cl2 I N2 Zn -","- C16 H24 Br Cl2 I N2 Zn -","- C64 H96 Br4 Cl8 I4 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1198","0.0949","","","0.2772","0.301","","","","","","1.142","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215337","10.1716","0.0002","12.1281","0.0003","12.4038","0.0003","90","","111.816","0.001","90","","1420.57","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","0.71073","MoKα","","0.0434","0.0395","","","0.1111","0.1146","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215338","17.0269","0.0004","23.4679","0.0006","6.9207","0.0002","90","","90","","90","","2765.41","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","1.54178","CuKα","","0.0318","0.0308","","","0.088","0.0892","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215339","8.72","0.001","8.969","0.0012","9.422","0.0012","77.951","0.011","80.69","0.01","71.308","0.011","679.06","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Gd N O12 -","- C9 H10 Gd N O12 -","- C18 H20 Gd2 N2 O24 -","2","1","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0955","0.0845","","","0.1945","0.2034","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215340","8.6761","0.0012","9.3984","0.0014","10.5809","0.0017","92.225","0.011","102.987","0.01","109.636","0.009","785.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.116","0.0837","","","0.1813","0.1968","","","","","","1.013","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215341","8.6552","0.001","9.276","0.0011","10.695","0.0011","93.603","0.006","101.819","0.006","109.742","0.006","782.89","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1089","0.1144","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215342","8.7113","0.0003","9.1913","0.0004","10.5321","0.0004","86.054","0.002","77.189","0.002","71.101","0.002","777.96","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0279","0.025","","","0.0639","0.0659","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215343","8.7196","0.0001","9.222","0.0002","10.5926","0.0002","86.003","0.001","77.168","0.001","71.09","0.001","785.68","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0208","0.0184","","","0.044","0.0449","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215344","10.393","0.002","11.27","0.002","12.065","0.002","105.91","0.03","95.95","0.03","96.73","0.03","1336","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.031","0.0248","","","0.0505","0.0526","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215345","8.011","0.0016","13.379","0.003","13.674","0.003","74.93","0.03","83.71","0.03","86.61","0.03","1405.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 N2 O7 Tb Zn -","- C25 H25 Cl2 N2 O7 Tb Zn -","- C50 H50 Cl4 N4 O14 Tb2 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0549","0.0455","","","0.1354","0.1427","","","","","","1.172","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215346","7.99","0.003","13.377","0.005","13.685","0.005","74.414","0.006","83.644","0.007","86.54","0.007","1399.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 Dy N2 O7 Zn -","- C25 H25 Cl2 Dy N2 O7 Zn -","- C50 H50 Cl4 Dy2 N4 O14 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.1104","0.0774","","","0.2232","0.2757","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215347","11.979","0.006","13.2","0.007","13.26","0.007","116.241","0.007","91.775","0.008","104.446","0.008","1796.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H58 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0662","0.0454","","","0.1106","0.121","","","","","","1.049","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215348","7.5724","0.0002","12.3856","0.0003","8.0889","0.0002","90","","94.12","0.002","90","","756.69","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H12 Ga2 N2 Se7 -","- C3 H12 Ga2 N2 Se7 -","- C6 H24 Ga4 N4 Se14 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0342","0.0279","","","0.0534","0.0541","","","","","","1","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215349","11.766","0.0004","11.7743","0.0004","10.9763","0.0004","90","","110.17","0.004","90","","1427.36","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Ga2 N2 Se5 -","- C4 H14 Ga2 N2 Se5 -","- C16 H56 Ga8 N8 Se20 -","4","0.5","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.026","0.0183","","","0.0369","0.0374","","","","","","1.033","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215350","14.135","0.012","8.456","0.007","14.066","0.013","90","","100.318","0.017","90","","1654","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Ga2 N2 Se6 -","- C4 H16 Ga2 N2 Se6 -","- C16 H64 Ga8 N8 Se24 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0765","0.0538","","","0.1233","0.1374","","","","","","1.087","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215351","6.9815","0.0019","15.436","0.004","11.831","0.003","90","","91.462","0.004","90","","1274.6","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H32 Ga2 N6 Se6 -","- C12 H32 Ga2 N6 Se6 -","- C24 H64 Ga4 N12 Se12 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0587","0.0453","","","0.0813","0.0868","","","","","","1.011","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215352","10.623","0.005","16.495","0.008","7.163","0.004","90","","94.935","0.012","90","","1250.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ga N3 Se3 -","- C6 H16 Ga N3 Se3 -","- C24 H64 Ga4 N12 Se12 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0672","0.0511","","","0.1118","0.1216","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215353","5.24562","0.00017","4.73223","0.00013","12.3051","0.0004","90","","90.426","0.003","90","","305.447","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0308","0.0285","","","0.0676","0.0681","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215354","5.3555","0.0013","4.7543","0.0008","12.313","0.003","90","","90.124","0.019","90","","313.51","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0437","0.041","","","0.1028","0.1039","","","","","","1.461","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215355","17.9898","0.0015","4.64836","0.00012","12.8789","0.0011","90","","132.957","0.014","90","","788.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethylenediamonnium metaarsenate(III)","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0359","0.0289","","","0.0704","0.072","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215356","15.4872","0.0009","4.63256","0.00013","12.4361","0.0006","90","","112.001","0.006","90","","827.26","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzylammonium metaarsenate(III)","","- C7 H10 As N O2 -","- C7 H10 As N O2 -","- C28 H40 As4 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0715","0.041","","","0.0822","0.0878","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215357","5.47942","0.00018","4.65117","0.00016","10.4691","0.0003","90","","94.937","0.003","90","","265.823","0.015","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methylammonium metaarsenate(III) hydrate","","- C H8 As N O3 -","- C H8 As N O3 -","- C2 H16 As2 N2 O6 -","2","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0188","0.0172","","","0.0423","0.0426","","","","","","1.039","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215358","4.7049","0.0004","18.8608","0.0016","6.1721","0.0005","90","","91.821","0.009","90","","547.42","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethanolammonium metaarsenate(III)","","- C2 H8 As N O3 -","- C2 H8 As N O3 -","- C8 H32 As4 N4 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0505","0.0396","","","0.0765","0.0799","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215359","7.953","0.0019","11.212","0.003","12.307","0.003","90","","103.187","0.004","90","","1068.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N6 -","- C10 H16 N6 -","- C40 H64 N24 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0821","0.0626","","","0.1522","0.1749","","","","","","1.13","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215360","12.4905","0.0017","11.1849","0.0015","11.9231","0.0016","90","","117.768","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag Cl N6 O4 -","- C10 H16 Ag Cl N6 O4 -","- C40 H64 Ag4 Cl4 N24 O16 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0738","0.0513","","","0.1429","0.2353","","","","","","1.187","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215361","8.7996","0.0013","12.983","0.0019","13.942","0.002","90","","101.802","0.002","90","","1559.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Ag N7 O5 -","- C10 H20 Ag N7 O5 -","- C40 H80 Ag4 N28 O20 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0807","0.0532","","","0.1482","0.2324","","","","","","1.139","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215362","11.066","0.0005","13.8214","0.0006","16.8387","0.0007","90","","103.31","0.001","90","","2506.26","0.19","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Co2 N2 O13 -","- C22 H26 Co2 N2 O12 -","- C88 H104 Co8 N8 O48 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0506","0.0376","","","0.0945","0.1017","","","","","","1.051","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215363","16.2417","0.0011","10.7616","0.0007","25.6486","0.0017","90","","90","","90","","4483","0.5","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Mn3 N4 O18 -","- C44 H32 Mn3 N4 O18 -","- C176 H128 Mn12 N16 O72 -","4","0.5","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0828","0.0657","","","0.189","0.2036","","","","","","1.031","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215364","10.781","0.0005","15.8837","0.0007","25.1737","0.0011","90","","90","","90","","4310.8","0.3","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H40 Mg3 N3 O21 -","- C39 H30 Mg3 N2 O20.65 -","- C156 H120 Mg12 N8 O82.6 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.098","0.073","","","0.1979","0.2232","","","","","","1.064","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215365","8.769","0.002","15.024","0.002","21.216","0.002","94.818","0.003","99.983","0.005","98.226","0.006","2707.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H35 Cl6 N3 O6 P3 -","- C66 H35 Cl6 N3 O6 P3 -","- C132 H70 Cl12 N6 O12 P6 -","2","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.0762","0.0669","","","0.1895","0.1965","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215366","14.909","0.002","31.013","0.004","9.074","0.001","90","","102.12","0.007","90","","4102.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 N3 O6 P3 -","- C54 H30 N3 O6 P3 -","- C216 H120 N12 O24 P12 -","4","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.05","0.0401","","","0.1028","0.1081","","","","","","1.027","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215367","17.3759","0.0007","19.6161","0.0012","12.153","0.0004","90","","128.409","0.002","90","","3245.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co4 N4 O17 -","- C28 H24 Co4 N4 O17 -","- C112 H96 Co16 N16 O68 -","4","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.0422","","","0.113","0.1231","","","","","","1.035","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215368","11.2742","0.0002","20.1605","0.0004","12.0927","0.0002","90","","116.682","0.001","90","","2455.9","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Co4 N8 O19.5 -","- C40 H47 Co4 N8 O19.5 -","- C80 H94 Co8 N16 O39 -","2","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.069","","","0.2401","0.3287","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215369","10.0028","0.0011","11.9202","0.0013","14.3524","0.0016","99.776","0.001","102.13","0.001","110.143","0.002","1515.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.2 Cu2 N6 O11.6 -","- C20 H30 Cu2 N6 O11 -","- C40 H60 Cu4 N12 O22 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0644","0.0408","","","0.1041","0.1152","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215370","24.55","0.018","15.285","0.011","14.484","0.01","90","","122.935","0.01","90","","4562","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Cu N12 O13 -","- C35 H50 Cu N12 O13 -","- C140 H200 Cu4 N48 O52 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1313","0.0635","","","0.182","0.2222","","","","","","1.032","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215371","8.966","0.002","10.949","0.003","11.62","0.003","100.988","0.003","98.286","0.003","102.071","0.003","1074.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl Cu0.5 N7 O4 -","- C17 H18 Cl Cu0.5 N7 O4 -","- C34 H36 Cl2 Cu N14 O8 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1528","0.1219","","","0.3642","0.3833","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215372","11.8981","0.0003","16.9246","0.0005","19.3535","0.0005","90","","125.174","0.002","90","","3185.62","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Co2 N18 O26 S2 -","- C44 H76 Co2 N18 O26 S2 -","- C88 H152 Co4 N36 O52 S4 -","2","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0834","0.0534","","","0.1559","0.1741","","","","","","1.058","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215373","22.5556","0.0007","8.7941","0.0002","16.2863","0.0004","90","","100.318","0.003","90","","3178.25","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O4 Zn -","- C34 H32 N4 O4 Zn -","- C136 H128 N16 O16 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0762","0.0578","","","0.1769","0.1875","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215374","22.4668","0.001","8.6151","0.0003","16.9974","0.0006","90","","102.055","0.004","90","","3217.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O6 Zn -","- C34 H32 N4 O6 Zn -","- C136 H128 N16 O24 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1081","0.0633","","","0.1629","0.1798","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215375","18.6361","0.0005","13.5949","0.0009","12.7863","0.0006","90","","90","","90","","3239.5","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C34 H30 N6 O8 Zn -","- C34 H30 N6 O8 Zn -","- C136 H120 N24 O32 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1512","0.048","","","0.0802","0.0906","","","","","","0.853","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215376","8.8418","0.0003","9.512","0.0004","9.6826","0.0004","85.966","0.004","87.778","0.003","78.915","0.003","796.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0776","0.0676","","","0.192","0.2034","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215377","9.8","0.003","12.756","0.006","16.818","0.005","71.521","0.003","88.204","0.002","70.909","0.005","1878.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N8 O12 Zn -","- C34 H28 N8 O12 Zn -","- C68 H56 N16 O24 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71069","MoKα","","0.0998","0.0811","","","0.2252","0.2414","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215378","10.4659","0.0002","14.632","0.0004","16.5116","0.0004","90","","90","","90","","2528.54","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C112 H104 N16 O16 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0895","0.0643","","","0.1738","0.1844","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215379","8.7123","0.0005","9.9185","0.0005","11.6794","0.0009","69.257","0.006","70.439","0.006","65.82","0.006","839.46","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N2 O5 Zn -","- C18 H17 N2 O5 Zn -","- C36 H34 N4 O10 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0807","0.0574","","","0.1553","0.1655","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215380","10.8685","0.0003","16.3185","0.0004","8.5098","0.0002","90","","90.088","0.002","90","","1509.28","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N2 O5 Zn -","- C14 H15 N2 O5 Zn -","- C56 H60 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0843","0.0607","","","0.1823","0.1971","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215381","10.3571","0.0002","16.6387","0.0004","15.4241","0.0004","90","","98.106","0.002","90","","2631.46","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Ag2 N4 O5 -","- C28 H28 Ag2 N4 O5 -","- C112 H112 Ag8 N16 O20 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0711","0.0331","","","0.062","0.0676","","","","","","0.823","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215382","9.7504","0.0008","9.8666","0.0008","10.0927","0.0007","92.064","0.006","114.696","0.007","119.342","0.009","732.59","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ag N2 O4 -","- C14 H17 Ag N2 O4 -","- C28 H34 Ag2 N4 O8 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0953","0.0395","","","0.0657","0.0735","","","","","","0.833","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215383","11.6759","0.0003","13.2549","0.0004","19.194","0.0005","87.414","0.002","85.056","0.002","86.352","0.002","2951.12","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H111 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1365","0.0601","","","0.1574","0.1791","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215384","21.091","0.006","8.2252","0.0018","10.579","0.003","90","","120.686","0.005","90","","1578.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu N6 O6 -","- C10 H18 Cu N6 O6 -","- C40 H72 Cu4 N24 O24 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0341","0.0314","","","0.0791","0.0815","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215385","7.4564","0.0013","17.654","0.003","8.7158","0.0016","90","","114.808","0.003","90","","1041.4","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 Cu N12 -","- C16 H24 Cl2 Cu N12 -","- C32 H48 Cl4 Cu2 N24 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.71073","MoKα","","0.0331","0.0305","","","0.0784","0.0799","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215386","9.565","0.002","8.5582","0.0019","9.4197","0.0017","90","","106.288","0.005","90","","740.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N8 S2 -","- C10 H12 Cu N8 S2 -","- C20 H24 Cu2 N16 S4 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0285","0.027","","","0.0748","0.076","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215387","13.143","0.002","17.513","0.003","25.348","0.004","90","","90","","90","","5834.4","1.6","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.98 -","- C128 H224 Cl16 Cu8 N96 O79.84 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0554","0.0539","","","0.1541","0.1555","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215388","12.887","0.002","17.043","0.003","24.799","0.004","90","","90","","90","","5446.7","1.6","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cu N14 O8 -","- C16 H28 Cu N14 O8 -","- C128 H224 Cu8 N112 O64 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0758","0.0726","","","0.2078","0.2107","","","","","","1.315","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215389","16.103","0.004","8.6062","0.0019","13.525","0.003","90","","112.305","0.005","90","","1734.1","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N6 O4 -","- C16 H16 Cu N6 O4 -","- C64 H64 Cu4 N24 O16 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0378","0.0335","","","0.0892","0.0924","","","","","","1.02","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215390","7.5798","0.0009","8.7849","0.0001","19.056","0.003","94.154","0.011","96.89","","112.58","0.008","1153.4","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24.5 Cu2 N6 O12.5 -","- C19 H24 Cu2 N6 O12.5 -","- C38 H48 Cu4 N12 O25 -","2","1","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0649","0.0483","","","0.12","0.1315","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215391","33.747","0.007","12.808","0.003","14.155","0.003","90","","102.27","0.03","90","","5978","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Fe5 N3 O24 -","- C41 H40 Fe5 N3 O24 -","- C164 H160 Fe20 N12 O96 -","4","0.5","","Li, Yun-Wu; Zhao, Jiong-Peng; Wang, Li-Fu; Bu, Xian-He","An Fe-based MOF constructed from paddle-wheel and rod-shaped SBUs involved in situ generated acetate","CrystEngComm","2011","13","20","6002","","10.1039/c1ce05470h","","","0.71073","MoKα","","0.0992","0.0717","","","0.1679","0.1829","","","","","","1.023","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215392","7.3135","0.0004","7.3135","0.0004","16.4964","0.0019","90","","90","","120","","764.14","0.11","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C30 H24 N12 S3 -","3","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0334","0.0322","","","0.0855","0.0871","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215393","6.969","0.003","7.073","0.003","9.075","0.004","92.827","0.005","106.248","0.004","99.958","0.006","420.7","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0839","0.0726","","","0.1721","0.1822","","","","","","0.904","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215394","23.8364","0.0008","23.8364","0.0008","26.589","0.002","90","","90","","120","","13083.2","1.2","291","2","291","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C432 H324 Cl36 N108 O150 S36 Zn18 -","6","0.166667","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0647","0.0407","","","0.1004","0.1071","","","","","","0.935","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215395","8.1844","0.0004","9.6968","0.0005","15.7097","0.0008","90","","104.448","0.001","90","","1207.33","0.11","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd Cl2 N6 S2 -","- C24 H18 Cd Cl2 N6 S2 -","- C48 H36 Cd2 Cl4 N12 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0268","0.0215","","","0.0473","0.049","","","","","","0.944","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215396","9.0358","0.001","15.9866","0.0017","12.5425","0.0016","90","","116.04","0.001","90","","1627.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N10 O10 S2 Zn -","- C24 H32 N10 O10 S2 Zn -","- C48 H64 N20 O20 S4 Zn2 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0376","0.0288","","","0.0672","0.0698","","","","","","0.953","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215397","9.0887","0.0008","16.3768","0.0015","12.6796","0.0014","90","","116.015","0.001","90","","1696.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cd N10 O10 S2 -","- C24 H32 Cd N10 O10 S2 -","- C48 H64 Cd2 N20 O20 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0478","0.0312","","","0.0529","0.0561","","","","","","0.845","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215398","24.0813","0.0015","16.5778","0.0007","28.3107","0.0018","90","","100.055","0.003","90","","11128.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H99 N6 O25.5 Pr2 S6 -","- C120 H84 N6 O25.5 Pr2 S6 -","- C480 H336 N24 O102 Pr8 S24 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0892","0.0636","","","0.1462","0.1656","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215399","10.842","0.003","11.194","0.003","14.953","0.005","93.155","0.003","96.372","0.003","102.207","0.006","1757","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Mn N2 O7 S2 -","- C40 H30 Mn N2 O7 S2 -","- C80 H60 Mn2 N4 O14 S4 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0509","0.0417","","","0.1147","0.1233","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215400","32.782","0.002","16.6144","0.0013","17.8662","0.0013","90","","90","","90","","9730.9","1.2","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C95 H91 Cd4 N9 O25 -","- C95 H91 Cd4 N9 O25 -","- C380 H364 Cd16 N36 O100 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Bai, Jing; Fang, Min; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","An unprecedented (3,7)-connected microporous solvatochromic coordination polymer built on a semirigid tripod pyridinium-4-olate ligand","CrystEngComm","2011","13","20","6010","","10.1039/c1ce05888f","","","0.71073","MoKα","","0.1005","0.0606","","","0.1374","0.1462","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215401","11.1225","0.0017","6.2139","0.001","15.089","0.002","90","","94.651","0.002","90","","1039.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Na2 O20 S2 Zn3 -","- C8 H16 Na2 O20 S2 Zn3 -","- C16 H32 Na4 O40 S4 Zn6 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.0398","0.0285","","","0.0664","0.072","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215402","10.0335","0.0017","16.02","0.003","12.195","0.002","90","","101.566","0.002","90","","1920.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Na8 O35 S4 Zn2 -","- C16 H12 Na8 O35 S4 Zn2 -","- C32 H24 Na16 O70 S8 Zn4 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.1077","0.0526","","","0.1055","0.1228","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215403","12.1286","0.0013","12.9525","0.0013","20.782","0.002","90","","90","","90","","3264.8","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N2 O7.5 P2 Zn -","- C12 H15 N2 O7.5 P2 Zn -","- C96 H120 N16 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0578","0.0368","","","0.0787","0.0881","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215404","8.1777","0.0009","10.4708","0.0012","11.0725","0.0013","112.385","0.001","101.403","0.001","90.107","0.001","856.24","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 O8 P2 Zn -","- C14 H16 N2 O8 P2 Zn -","- C28 H32 N4 O16 P4 Zn2 -","2","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0507","0.0395","","","0.0954","0.1017","","","","","","1.034","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215405","7.5131","0.0007","18.2935","0.0018","18.7247","0.0018","90","","90","","90","","2573.5","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H9.5 N O7.5 P2 Zn -","- C8 H9.5 N O7.5 P2 Zn -","- C64 H76 N8 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0351","0.0288","","","0.0769","0.0805","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215406","13.7837","0.0018","7.1911","0.001","16.257","0.002","90","","96.81","0.002","90","","1600","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 P2 Zn -","- C14 H14 N2 O7 P2 Zn -","- C56 H56 N8 O28 P8 Zn4 -","4","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0565","0.0382","","","0.084","0.0906","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215407","17.57","0.02","15.185","0.007","13.384","0.008","90","","118.595","0.006","90","","3135","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu3 I2 N5 -","- C12 H8 Cu3 I2 N5 -","- C96 H64 Cu24 I16 N40 -","8","1","","Fang, Zhen-Lan; He, Jian-Gang; Yu, Rong-Min; Wu, Xiao-Yuan; Lu, Can-Zhong","One novel complex obtained through copper-mediated conversion of 2,5-bis(3-pyridyl)-1,3,4-oxadiazole: structure, in situ formation of ligand, and luminescence properties","CrystEngComm","2011","13","20","6243","","10.1039/c1ce05440f","","","0.71073","MoKα","","0.0687","0.0596","","","0.1602","0.1699","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215408","24.61","0.005","18.555","0.004","8.2379","0.0016","90","","96.896","0.003","90","","3734.5","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N6 Ni O13 Pd -","- C24 H34 N6 Ni O12 Pd -","- C96 H136 N24 Ni4 O48 Pd4 -","4","0.5","","Huang, Sheng-Li; Jin, Guo-Xin","Selective CO2 capture by a 3d‒4d coordination polymer material with 1D channel","CrystEngComm","2011","13","20","6013","","10.1039/c1ce05474k","","","0.71073","MoKα","","0.1114","0.0571","","","0.1386","0.1545","","","","","","0.969","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215409","25.379","0.003","17.642","0.004","16.484","0.005","90","","90","","90","","7380","3","300","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H33 N2 Ni O6 S10 -","- C26 H33 N2 Ni O6 S10 -","- C208 H264 N16 Ni8 O48 S80 -","8","1","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","","0.049","","","","0.1361","","","","","","1.043","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215410","16.075","0.003","25.415","0.004","35.366","0.005","90","","90","","90","","14449","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N2 Ni O6 S10 -","- C26 H31 N2 Ni O6 S10 -","- C416 H496 N32 Ni16 O96 S160 -","16","4","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","0.1118","0.058","","","0.1154","0.1393","","","","","","0.924","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215411","24.303","0.01","10.137","0.004","18.744","0.013","90","","125.506","0.004","90","","3759","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cl6 N4 O6 Zn -","- C38 H26 Cl6 N4 O6 Zn -","- C152 H104 Cl24 N16 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1148","0.0504","","","0.1091","0.1415","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215412","10.9481","0.0008","13.2205","0.0009","13.9222","0.0016","106.761","0.003","102.853","0.003","108.249","0.002","1720.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","1","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0436","0.0299","","","0.0681","0.0719","","","","","","1.061","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215413","8.3392","0.0008","10.52","0.001","11.0835","0.0011","71.219","0.002","79.807","0.002","75.307","0.002","885.63","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl3 N2 O4 Zn -","- C15 H12 Cl3 N2 O4 Zn -","- C30 H24 Cl6 N4 O8 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0484","0.0385","","","0.1093","0.1156","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215414","20.5213","0.0011","9.4618","0.0005","16.9888","0.0009","90","","126.518","0.002","90","","2651.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cl6 N2 O6 Zn -","- C24 H12 Cl6 N2 O6 Zn -","- C96 H48 Cl24 N8 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0705","0.0436","","","0.1002","0.1178","","","","","","1.09","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215415","14.4957","0.0005","8.8235","0.0003","23.1793","0.0008","90","","96.808","0.001","90","","2943.79","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl6 N2 O6 Zn -","- C27 H18 Cl6 N2 O6 Zn -","- C108 H72 Cl24 N8 O24 Zn4 -","4","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0395","","","0.0892","0.0972","","","","","","1.056","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215416","11.8373","0.0008","13.5119","0.0009","18.5484","0.0013","90","","106.514","0.002","90","","2844.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 Cl12 N4 O12 Zn2 -","- C54 H35 Cl12 N4 O12 Zn2 -","- C108 H70 Cl24 N8 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1062","0.0635","","","0.1559","0.1817","","","","","","1.026","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215417","13.6683","0.0005","13.6285","0.0005","15.1486","0.0006","90","","101.217","0.001","90","","2767.95","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cl12 N4 O14 Zn2 -","- C52 H30 Cl12 N4 O14 Zn2 -","- C104 H60 Cl24 N8 O28 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0648","0.0428","","","0.0918","0.0997","","","","","","1.032","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215418","8.2531","0.0007","10.6582","0.001","12.4388","0.0011","73.757","0.002","73.122","0.002","76.445","0.002","991.16","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Cl3 N2 O3 Zn -","- C17 H9 Cl3 N2 O3 Zn -","- C34 H18 Cl6 N4 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.037","0.0312","","","0.0765","0.0789","","","","","","1.054","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215419","9.1994","0.0006","10.5683","0.0007","13.8477","0.0009","80.486","0.002","78.545","0.002","65.856","0.002","1198.73","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 N3 O3 Zn -","- C25 H16 Cl3 N3 O3 Zn -","- C50 H32 Cl6 N6 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.048","0.0396","","","0.0971","0.1004","","","","","","1.071","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215420","9.194","0.0004","10.532","0.0005","13.8552","0.0006","80.603","0.002","78.29","0.002","65.975","0.001","1195","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 Co N3 O3 -","- C25 H16 Cl3 Co N3 O3 -","- C50 H32 Cl6 Co2 N6 O6 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0459","","","0.1113","0.1157","","","","","","1.041","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215421","9.8694","0.0003","10.1833","0.0003","13.5295","0.0004","92.154","0.001","103.146","0.001","104.038","0.001","1278.37","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Cl3 N4 Ni O6 -","- C25 H17 Cl3 N4 Ni O6 -","- C50 H34 Cl6 N8 Ni2 O12 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0526","0.0363","","","0.0764","0.0826","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215422","7.129","0.0003","12.148","0.0012","17.76","0.0013","90","","101.58","0.003","90","","1506.8","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O10 Zn -","- C12 H12 N2 O10 Zn -","- C48 H48 N8 O40 Zn4 -","4","1","","Wang, Kuaibing; Yin, Yuxin; Li, Chengying; Geng, Zhirong; Wang, Zhilin","Facile synthesis of zinc(ii)-carboxylate coordination polymer particles and their luminescent, biocompatible and antibacterial properties","CrystEngComm","2011","13","20","6231","","10.1039/c1ce05705g","","","0.71073","MoKα","","0.0672","0.052","","","0.1135","0.1169","","","","","","1.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215423","16.533","0.004","16.533","0.004","14.654","0.005","90","","90","","120","","3468.9","1.7","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C21 H31 N6 O4.5 -","- C21 H31 N6 O4.5 -","- C126 H186 N36 O27 -","6","1","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.0797","0.0412","","","0.0803","0.091","","","","","","0.997","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215424","12.094","0.004","12.534","0.004","18.268","0.006","75.307","0.004","71.083","0.005","78.421","0.005","2512.6","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N6 O4.25 -","- C23 H34 N6 O4.25 -","- C92 H136 N24 O17 -","4","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.136","0.0725","","","0.1998","0.2306","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215425","10.579","0.002","19.247","0.004","30.125","0.006","90","","94.26","0.03","90","","6117","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 N6 O6 -","- C29 H46 N6 O6 -","- C232 H368 N48 O48 -","8","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.2043","0.0997","","","0.1681","0.1999","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215426","17.69","0.003","18.545","0.004","22.889","0.005","71.7","0.03","82.55","0.03","77.24","0.03","6938","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H54 N6 O6 -","- C33 H54 N6 O6 -","- C264 H432 N48 O48 -","8","4","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.084","0.0643","","","0.1553","0.1737","","","","","","0.917","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215427","13.8265","0.0008","14.2642","0.0008","25.1428","0.0014","90","","92.711","0.002","90","","4953.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl K2 N21 O33 -","- C30 H34 Cl K2 N21 O33 -","- C120 H136 Cl4 K8 N84 O132 -","4","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.0852","0.0764","","","0.2185","0.2276","","","","","","1.094","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215428","11.4458","0.0006","12.4198","0.0007","19.5596","0.0011","77.185","0.002","81.055","0.002","77.905","0.002","2633.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H52 Cl N20 O35 Rb3 S -","- C30 H38 Cl N20 O35 Rb3 S -","- C60 H76 Cl2 N40 O70 Rb6 S2 -","2","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1108","0.0937","","","0.2821","0.3013","","","","","","1.035","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215429","15.618","0.004","14.081","0.004","21.4","0.006","90","","100.475","0.003","90","","4628","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Cs2 N20 O29 S -","- C30 H34 Cs2 N20 O29 S -","- C120 H136 Cs8 N80 O116 S4 -","4","0.5","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1012","0.0982","","","0.2481","0.2497","","","","","","1.248","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215430","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.058","0.0459","","","0.1113","0.1209","","","","","","1.005","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215431","8.765","0.0013","11.6593","0.0017","11.9268","0.0018","77.744","0.002","76.47","0.002","76.133","0.002","1134.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0521","0.0449","","","0.0983","0.1012","","","","","","1.197","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215432","21.6736","0.0011","9.4185","0.0005","17.5251","0.0009","90","","109.379","0.001","90","","3374.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag La N2 O9 -","- C14 H10 Ag La N2 O9 -","- C112 H80 Ag8 La8 N16 O72 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0352","0.0266","","","0.0544","0.0581","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215433","8.7942","0.0015","11.6555","0.0019","11.946","0.002","77.532","0.002","76.519","0.002","76.058","0.002","1139","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0626","0.0563","","","0.1334","0.1366","","","","","","1.146","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215434","7.1755","0.0007","11.4346","0.0012","18.3179","0.0019","86.188","0.001","78.88","0.001","73.573","0.001","1414.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0588","0.0388","","","0.0681","0.0768","","","","","","1.016","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215435","21.893","0.004","9.2903","0.0017","17.243","0.003","90","","108.622","0.002","90","","3323.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Tm -","- C14 H10 Ag N2 O9 Tm -","- C112 H80 Ag8 N16 O72 Tm8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.059","0.0499","","","0.1334","0.1394","","","","","","1.027","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215436","21.814","0.002","9.3193","0.0008","17.3133","0.0016","90","","108.9","0.001","90","","3329.9","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Pr -","- C14 H10 Ag N2 O9 Pr -","- C112 H80 Ag8 N16 O72 Pr8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0491","0.0328","","","0.0599","0.066","","","","","","1.006","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215437","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0925","0.0558","","","0.1107","0.129","","","","","","0.972","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215438","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0581","0.0405","","","0.0812","0.0906","","","","","","1.029","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215439","9.0533","0.0015","18.467","0.003","4.6354","0.001","90","","90","","90","","775","0.2","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Br4 Cd4 Hg4 S4 -","- Br4 Cd4 Hg4 S4 -","- Br8 Cd8 Hg8 S8 -","2","0.125","","Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong","Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br","CrystEngComm","2011","13","11","3862","","10.1039/c1ce05047h","","","0.71073","MoKα","","0.0624","0.0537","","","0.1566","0.1615","","","","","","1.001","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215440","12.4787","0.0004","15.7475","0.0006","17.5342","0.0009","94.783","0.004","91.032","0.004","101.706","0.003","3360","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H60.5 N14 Ni2 O13.25 -","- C70 H52 N14 Ni2 O13.25 -","- C140 H104 N28 Ni4 O26.5 -","2","1","","Wu, Hua; Liu, Bo; Yang, Jin; Liu, Hai-Yan; Ma, Jian-Fang","A new type of entangled motif: from 2D polyrotaxane layers to a 3D polythreaded framework","CrystEngComm","2011","13","11","3661","","10.1039/c1ce05379e","","","0.71073","MoKα","","0.1156","0.0581","","","0.1364","0.151","","","","","","0.872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215441","28.4879","0.0005","32.7675","0.0006","7.999","0.0001","90","","90","","90","","7466.9","0.2","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis(N,N-dimethylselenourea)trichloro antimony hemiacetone","","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C120 H304 Cl48 N64 O8 Sb16 Se32 -","16","1","","Maiti, Nilkamal; Im, Sang Hyuk; Lee, Yong Hui; Kim, Chong-Hyeak; Seok, Sang Il","Solvent-assisted growth of Sb2Se3 nanocompounds from a single-source precursor under mild reaction conditions","CrystEngComm","2011","13","11","3767","","10.1039/c1ce05032j","","","0.71073","MoKα","","0.024","0.0202","","","0.0433","0.0441","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7215442","11.3326","0.0014","12.7665","0.0012","13.3078","0.0012","93.603","0.006","113.622","0.001","91.911","0.002","1756.9","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N2 O6 P S -","- C36 H42 N2 O6 P S -","- C72 H84 N4 O12 P2 S2 -","2","1","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0684","","","","0.0693","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215443","59.415","0.004","6.3283","0.0003","14.901","0.0007","90","","102.242","0.0014","90","","5475.3","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 N4 O10 S14 -","- C42 H52 N4 O10 S14 -","- C168 H208 N16 O40 S56 -","4","0.5","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0645","","","","0.0587","","","","","","1.204","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215444","10.377","0.002","9.509","0.002","15.331","0.003","90","","92.624","0.005","90","","1511.2","0.5","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 P Se -","- C18 H13 P Se -","- C72 H52 P4 Se4 -","4","1","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71075","MoKα","","0.0321","0.0277","","","0.0658","0.0679","","","","","","1.056","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215445","10.32","0.002","9.3942","0.0015","15.135","0.002","90","","92.101","0.004","90","","1466.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 P2 S Se -","- C36 H26 P2 S Se -","- C72 H52 P4 S2 Se2 -","2","0.5","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71074","MoKα","","0.024","0.0232","","","0.0587","0.0592","","","","","","1.059","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215446","15.4845","0.0004","20.3081","0.0006","27.13","0.0008","90","","98.873","0.002","90","","8429.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H96.3 Cl N32 O34.15 -","- C56 H59 N32 O34.15 -","- C224 H236 N128 O136.6 -","4","1","","Vostrikova, Kira E.; Peresypkina, Eugenia V.; Drebushchak, Valery A.","Cucurbituril-assisted transformation of nitronyl nitroxide into imino nitroxide in the solid state","CrystEngComm","2011","13","9","3241","","10.1039/c0ce00504e","","","1.54178","CuKα","","0.1282","0.1068","","","0.2896","0.3108","","","","","","1.222","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215449","8.5014","0.0005","13.1428","0.0007","9.5296","0.0005","90","","94.682","0.002","90","","1061.21","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Eu O11 -","- C6 H7 Eu O11 -","- C24 H28 Eu4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0259","0.0223","","","0.0512","0.0526","","","","","","1.065","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215450","8.4612","0.0009","13.1272","0.0016","9.4855","0.0011","90","","94.652","0.007","90","","1050.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Gd O11 -","- C6 H6 Gd O11 -","- C24 H24 Gd4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0201","0.0186","","","0.0453","0.0459","","","","","","1.152","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215451","8.4548","0.0002","13.1047","0.0004","9.4885","0.0002","90","","94.439","0.001","90","","1048.15","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 O11 Tb -","- C6 H10 O11 Tb -","- C24 H40 O44 Tb4 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0317","0.0303","","","0.0777","0.0787","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215452","6.483","0.002","9.222","0.004","10.555","0.003","64.5","","81.417","0.004","80.98","","560.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Ag2 N2 O4 -","- C11 H9 Ag2 N2 O4 -","- C22 H18 Ag4 N4 O8 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0305","0.027","","","0.0651","0.0689","","","","","","1.102","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215453","8.059","0.002","10.243","0.004","17.378","0.003","98.88","","96.736","0.004","105.14","","1349.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Ag4 N2 O8 -","- C30 H20 Ag4 N2 O8 -","- C60 H40 Ag8 N4 O16 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0546","0.0408","","","0.108","0.1134","","","","","","1.082","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215454","13.687","0.002","14.88","0.003","13.809","0.004","90","","90","","90","","2812.4","1.1","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H24 Ag4 N4 O8 -","- C28 H24 Ag4 N4 O8 -","- C112 H96 Ag16 N16 O32 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0824","0.06","","","0.1318","0.1496","","","","","","1","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215455","7.2517","0.0014","7.7768","0.0015","25.608","0.004","90","","90.522","0.004","90","","1444.1","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","1","0.25","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","","","0.058","0.0395","","","","0.0978","","","","","","1.019","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215456","9.3459","0.0019","21.924","0.004","7.0573","0.0014","90","","106.11","0.03","90","","1389.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 Ag N O2 -","- C7 H6 Ag N O2 -","- C56 H48 Ag8 N8 O16 -","8","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0324","0.0294","","","0.0743","0.0775","","","","","","1.115","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215457","16.306","0.002","11.578","0.004","19.417","0.003","90","","90.207","0.004","90","","3665.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Ag6 N4 O17 -","- C30 H32 Ag6 N4 O17 -","- C120 H128 Ag24 N16 O68 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0361","0.0298","","","0.0748","0.0776","","","","","","1.182","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215458","14.757","0.003","20.578","0.004","13.995","0.002","90","","90.04","0.004","90","","4249.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Ag6 N6 O12 -","- C42 H36 Ag6 N6 O12 -","- C168 H144 Ag24 N24 O48 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.141","0.0818","","","0.1963","0.2676","","","","","","1.01","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215459","18.431","0.0017","18.431","0.0017","69.911","0.015","90","","90","","120","","20567","5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu","Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups","CrystEngComm","2014","16","25","5520","","10.1039/c4ce00530a","","","0.71073","MoKα","","0.0744","0.0642","","","0.1905","0.1993","","","","","","1.183","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215460","11.0637","0.0009","7.2056","0.0006","22.927","0.002","90","","101.564","0.008","90","","1790.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S4 -","- C16 H14 N4 S4 -","- C64 H56 N16 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1654","0.06","","","0.0924","0.1178","","","","","","1.003","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215461","11.278","0.0012","31.812","0.003","8.79","0.004","90","","98.853","0.014","90","","3116.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N7 S8 -","- C27 H23 N7 S8 -","- C108 H92 N28 S32 -","4","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1353","0.0608","","","0.1107","0.1367","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215462","12.283","0.0013","12.898","0.0015","22.171","0.004","80.437","0.012","87.138","0.011","89.403","0.008","3459.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Co F12 N4 O4 S4 -","- C26 H16 Co F12 N4 O4 S4 -","- C104 H64 Co4 F48 N16 O16 S16 -","4","2","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.2174","0.0896","","","0.1577","0.2078","","","","","","1.026","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215463","21.102","0.003","21.102","0.002","15.611","0.0014","90","","90","","90","","6951.5","1.3","293","2","293","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C108 H92 Cd Cl2 N28 O12 S32 -","- C108 H92 Cd Cl2 N28 O12 S32 -","- C216 H184 Cd2 Cl4 N56 O24 S64 -","2","0.25","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0962","0.0497","","","0.086","0.103","","","","","","1.117","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215464","16.796","0.004","9.9569","0.0012","25.493","0.003","90","","103.108","0.009","90","","4152.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cd5 Cl10 N16 S16 -","- C58 H52 Cd5 Cl10 N16 S16 -","- C116 H104 Cd10 Cl20 N32 S32 -","2","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0553","0.0372","","","0.0837","0.0896","","","","","","1.063","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215465","13.262","0.003","13.508","0.002","24.549","0.004","76.154","0.008","86.364","0.009","63.763","0.008","3825.5","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N3 O4 -","- C37 H56 Cl3 N3 O4 -","- C148 H224 Cl12 N12 O16 -","4","4","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","","0.71073","MoKα","","0.0975","0.0628","","","0.1517","0.1753","","","","","","0.975","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215466","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215472","10.1249","0.0007","4.7655","0.0003","35.02","0.003","90","","93.387","0.002","90","","1686.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 O13 -","- C32 H36 O13 -","- C64 H72 O26 -","2","0.5","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1049","0.0858","","","0.2555","0.2743","","","","","","1.081","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215473","10.125","0.006","4.993","0.003","37.33","0.02","90","","93.079","0.015","90","","1884.5","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0938","0.0792","","","0.2436","0.2647","","","","","","1.161","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215474","30.0728","0.0008","9.9777","0.0003","16.8414","0.0004","90","","105.73","0.002","90","","4864.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N O6 -","- C24 H39 N O6 -","- C192 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1579","0.1053","","","0.2468","0.2727","","","","","","1.085","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215475","33.1689","0.001","10.1077","0.0003","16.6962","0.0005","90","","103.568","0.002","90","","5441.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N2 O14 -","- C52 H68 N2 O14 -","- C208 H272 N8 O56 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0903","0.0767","","","0.2162","0.2351","","","","","","1.007","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215476","13.957","0.004","10.086","0.003","17.006","0.005","90","","113.026","0.005","90","","2203.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0717","0.0617","","","0.1932","0.204","","","","","","1.067","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215477","17.7425","0.0009","8.7392","0.0005","19.5395","0.001","90","","102.293","0.002","90","","2960.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 N O7 -","- C30 H49 N O7 -","- C120 H196 N4 O28 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0508","0.0411","","","0.1168","0.1297","","","","","","1.017","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215478","31.663","0.003","10.0805","0.001","16.7716","0.0017","90","","104.662","0.002","90","","5178.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 N O6 -","- C26 H39 N O6 -","- C208 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0686","0.0495","","","0.1327","0.1474","","","","","","1.079","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215479","16.681","0.002","10.1817","0.0014","28.164","0.004","90","","90","","90","","4783.4","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N O6 -","- C24 H32 N O6 -","- C192 H256 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0998","0.1031","","","","","","0.993","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215480","8.405","0.011","16.69","0.02","9.156","0.013","90","","117.32","0.08","90","","1141","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C46 H74 N2 O12 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0673","0.063","","","0.1606","0.1643","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215481","14.566","0.01","9.991","0.007","17.129","0.011","90","","112.74","0.013","90","","2299","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H17 N O6 -","- C84 H68 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1429","0.0866","","","0.2308","0.2754","","","","","","1.016","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215482","14.494","0.005","8.794","0.005","19.179","0.005","90","","111.665","0.005","90","","2271.9","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C92 H148 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0628","0.0502","","","0.1366","0.1483","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215483","29.446","0.014","39.144","0.019","17.41","0.008","90","","90","","90","","20067","16","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C51 H89 N3 O7 -","- C51 H89 N3 O7 -","- C816 H1424 N48 O112 -","16","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0502","0.039","","","0.0987","0.1067","","","","","","1.147","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215484","17.9447","0.0004","19.1082","0.0004","11.5533","0.0002","90","","90","","90","","3961.52","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H36 Mo2 N16 -","- C44 H36 Mo2 N16 -","- C176 H144 Mo8 N64 -","4","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0525","0.0289","","","0.0591","0.0673","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215485","14.9903","0.0008","9.2196","0.0005","20.0369","0.0011","90","","101.615","0.003","90","","2712.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Br2 Hg Mo N8 O0.5 -","- C22.5 H19.5 Br2 Hg Mo N8 O0.5 -","- C90 H78 Br8 Hg4 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.077","0.0458","","","0.1127","0.1275","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215486","15.3948","0.0003","9.2721","0.0002","20.2932","0.0003","90","","103.088","0.001","90","","2821.45","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Hg I2 Mo N8 O0.5 -","- C22.5 H19.5 Hg I2 Mo N8 O0.5 -","- C90 H78 Hg4 I8 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0605","0.0497","","","0.1496","0.1618","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215487","12.8206","0.0007","12.7766","0.0007","17.2962","0.0009","90","","95.517","0.002","90","","2820.1","0.3","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl7 Hg3.5 Mo2 N16 -","- C43.92 H35.92 Cl7.2 Hg3.6 Mo2 N16 -","- C87.84 H71.84 Cl14.4 Hg7.2 Mo4 N32 -","2","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0742","0.0598","","","0.1541","0.1631","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215488","5.659","0.0013","7.9562","0.0018","19.147","0.004","96.62","0.003","95.808","0.004","98.313","0.003","841.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","1","0.5","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0563","0.0525","","","0.1493","0.1553","","","","","","1.073","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215489","18.2285","0.0013","12.4643","0.0009","18.4247","0.0019","90","","117.261","0.001","90","","3721.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cd N2 O7 P -","- C17 H17 Cd N2 O7 P -","- C136 H136 Cd8 N16 O56 P8 -","8","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0396","0.0275","","","0.0647","0.0701","","","","","","1.021","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215490","13.9812","0.0014","14.7218","0.0014","15.0185","0.0014","103.264","0.002","92.471","0.002","110.865","0.001","2784.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cd3 N6 O16 P2 -","- C50 H44 Cd3 N6 O16 P2 -","- C100 H88 Cd6 N12 O32 P4 -","2","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0827","0.0512","","","0.1532","0.1738","","","","","","1.038","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215491","11.78","0.0011","9.4034","0.0009","18.8322","0.0018","90","","103.465","0.002","90","","2028.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N2 O9 P -","- C17 H21 Cd N2 O9 P -","- C68 H84 Cd4 N8 O36 P4 -","4","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0651","0.0415","","","0.1044","0.1166","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215492","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4.005 O2 S8 -","- C112 H144 B8 F32.04 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0486","","","","0.1232","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215493","7.8172","0.0013","21.232","0.004","26.987","0.005","90","","90","","90","","4479.2","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F3.993 O2 S8 -","- C112 H144 B8 F31.944 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0603","","","","0.1421","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215494","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4 O2 S8 -","- C112 H144 B8 F32 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0647","","","","0.2003","","","","","","1.299","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215499","11.5361","0.0003","11.5361","0.0003","37.3168","0.0019","90","","90","","90","","4966.2","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 N3 O5 Zn -","- C26.994 H22 N3 O5 Zn -","- C215.952 H176 N24 O40 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0543","0.0429","","","0.0982","0.1029","","","","","","1.059","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215500","11.5806","0.0003","11.5806","0.0003","34.904","0.002","90","","90","","90","","4681","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C192 H128 N16 O32 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0483","0.0404","","","0.1283","0.134","","","","","","1.053","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215501","11.6638","0.0004","11.6638","0.0004","36.79","0.003","90","","90","","90","","5005.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H24 N2 O5 Zn -","- C25.2 H16 N2 O4.4 Zn -","- C201.6 H128 N16 O35.2 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.1152","0.0917","","","0.2524","0.2739","","","","","","1.043","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215502","19.0671","0.0019","10.4052","0.0008","22.384","0.0019","90","","99.004","0.001","90","","4386.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Mn N2 O5 -","- C27 H18 Mn N2 O5 -","- C216 H144 Mn8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0745","0.046","","","0.0929","0.1105","","","","","","1.03","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215503","10.7055","0.0007","12.564","0.0009","15.7296","0.001","113.095","0.002","98.85","0.001","102.229","0.001","1834.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Co N4 O11 -","- C39 H38 Co N4 O11 -","- C78 H76 Co2 N8 O22 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0918","0.059","","","0.1455","0.1686","","","","","","1.029","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215504","19.0329","0.0018","10.395","0.0009","22.382","0.002","90","","99.021","0.001","90","","4373.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Co N2 O5 -","- C27 H18 Co N2 O5 -","- C216 H144 Co8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1072","0.0593","","","0.1441","0.1803","","","","","","1.044","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215505","19.2419","0.0007","10.4225","0.0003","22.3595","0.0007","90","","98.676","0.001","90","","4432.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd N2 O5 -","- C27 H18 Cd N2 O5 -","- C216 H144 Cd8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0601","0.0376","","","0.0652","0.0764","","","","","","1.064","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215506","35.13","0.003","7.3946","0.0003","19.1657","0.0013","90","","109.809","0.002","90","","4684.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Mn N2 O7 -","- C25 H22 Mn N2 O7 -","- C200 H176 Mn8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1107","0.0567","","","0.0879","0.115","","","","","","1.057","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215507","35.083","0.003","7.294","0.0005","19.1329","0.0017","90","","109.888","0.002","90","","4604","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Co N2 O7 -","- C25 H22 Co N2 O7 -","- C200 H176 Co8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1128","0.0572","","","0.1147","0.1421","","","","","","0.991","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215508","7.5718","0.0007","14.0421","0.0019","17.244","0.002","74.534","0.001","83.804","0.001","88.439","0.002","1756.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cu N2 O12 -","- C40 H34 Cu N2 O12 -","- C80 H68 Cu2 N4 O24 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1358","0.069","","","0.0797","0.1025","","","","","","1.095","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215509","12.6755","0.0005","16.983","0.0006","20.7087","0.0011","90","","103.418","0.002","90","","4336.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Cd2 N4 O10 -","- C50 H36 Cd2 N4 O10 -","- C200 H144 Cd8 N16 O40 -","4","0.5","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0597","0.0358","","","0.0572","0.0667","","","","","","1.04","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215510","31.684","0.004","10.0017","0.0012","13.3763","0.0017","90","","106.607","0.003","90","","4062.1","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 N6 O4.5 Pb S -","- C14.5 H16 N6 O4.5 Pb S -","- C116 H128 N48 O36 Pb8 S8 -","8","1","","Hashemi, Lida; Morsali, Ali","A new lead(ii) nanoporous three-dimensional coordination polymer: pore size effect on iodine adsorption affinity","CrystEngComm","2014","16","23","4955","","10.1039/c4ce00454j","","","0.71073","MoKα","","0.0524","0.0345","","","0.08","0.0885","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215589","8.968","0.0003","9.9186","0.0003","10.4833","0.0003","66.002","0.001","87.096","0.001","64.555","0.001","760.5","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C20 H20 Cl8 N4 O4 U2 -","2","1","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","1.54178","CuKα","","0.0212","0.0199","","","0.0538","0.0587","","","","","","1.061","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215590","8.9215","0.0006","9.8582","0.0007","10.3689","0.0007","65.72","0.002","86.22","0.002","64.64","0.002","744.42","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C20 H20 Cl8 N4 O4 U2 -","2","1","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0824","0.0337","","","0.0555","0.0652","","","","","","0.998","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215654","11.3224","0.0003","14.6492","0.0004","18.371","0.0005","71","0.002","78.352","0.002","73.441","0.002","2741.51","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","2","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0545","0.0388","","","0.0854","0.0908","","","","","","1.043","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215655","7.2034","0.0005","9.2773","0.0006","11.4365","0.0008","74.107","0.005","73.402","0.005","71.293","0.005","679.62","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","1","0.5","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0336","0.0295","","","0.0728","0.0744","","","","","","1.11","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215656","15.211","0.0003","16.7025","0.0004","21.8821","0.0004","90","","90","","90","","5559.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C96 H328 Co8 Ge16 N72 S48 -","8","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0613","0.0474","","","0.0792","0.0832","","","","","","1.142","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215657","14.7043","0.0003","9.0099","0.0002","21.454","0.0005","90","","90","","90","","2842.32","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0205","0.0199","","","0.0479","0.0482","","","","","","1.042","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215658","27.144","0.005","6.5905","0.0013","10.766","0.002","90","","90","","90","","1926","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H14 Cl F6 N4 P Pt -","- C17 H14 Cl F6 N4 P Pt -","- C68 H56 Cl4 F24 N16 P4 Pt4 -","4","0.5","","Zhang, Rui; Liang, Zhenning; Han, Ali; Wu, Haotian; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Structural, spectroscopic and theoretical studies of a vapochromic platinum(ii) terpyridyl complex","CrystEngComm","2014","16","25","5531","","10.1039/c4ce00514g","","","0.71073","MoKα","","0.0502","0.0434","","","0.0978","0.1025","","","","","","1.064","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215659","20.0402","0.0006","20.0402","0.0006","41.6541","0.0013","90","","90","","120","","14487.5","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Cu N O5 S -","- C9 H9 Cu N O5 S -","- C324 H324 Cu36 N36 O180 S36 -","36","1","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0473","0.0367","","","0.1204","0.1281","","","","","","1.141","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215660","18.9198","0.0011","18.8335","0.0014","12.6671","0.0008","90","","92.396","0.003","90","","4509.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H12 Cu3 O18 -","- C18 H12 Cu3 O18 -","- C72 H48 Cu12 O72 -","4","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0354","0.032","","","0.0835","0.085","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215661","21.4985","0.0013","24.7145","0.0014","24.8218","0.0014","110.166","0.004","112.898","0.003","102.544","0.002","10420.7","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","1","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0969","0.0712","","","0.222","0.2456","","","","","","1.057","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215662","11.945","0.0002","9.5273","0.0001","5.3438","0.0001","90","","90","","90","","608.144","0.017","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Creatine form I","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","2.099","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215663","9.845","0.0003","5.8373","0.0002","11.6698","0.0003","90","","105.723","0.002","90","","645.55","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine form II","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","3.538","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215664","17.4929","0.0014","4.7791","0.0004","10.1101","0.0008","90","","90","","90","","845.21","0.12","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine formic acid solvate","","","- C5 H11 N3 O4 -","- C5 H11 N3 O4 -","- C20 H44 N12 O16 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","","","0.71073","MoKα","","0.0595","0.0397","","","0.0831","0.0934","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215665","10.075","0.006","11.026","0.006","16.317","0.008","90","","119.16","0.03","90","","1582.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N O3 P -","- C18 H14 N O3 P -","- C72 H56 N4 O12 P4 -","4","1","","Puigjaner, Cristina; Vela, Sergi; Font-Bardia, Merce; Novoa, Juan J.","The Polymorphism of a Triarylphosphine oxide. A case of missing isomers.","CrystEngComm","2014","","","","","10.1039/c4ce00498a","","","0.71073","MoKα","","0.0927","0.0522","","","0.1189","0.1338","","","","","","1.073","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215666","18.635","0.009","10.871","0.004","16.459","0.005","90","","107.05","0.02","90","","3188","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N O3 P -","- C18 H14 N O3 P -","- C144 H112 N8 O24 P8 -","8","1","","Puigjaner, Cristina; Vela, Sergi; Font-Bardia, Merce; Novoa, Juan J.","The Polymorphism of a Triarylphosphine oxide. A case of missing isomers.","CrystEngComm","2014","","","","","10.1039/c4ce00498a","","","0.71073","MoKα","","0.0958","0.0793","","","0.1557","0.1669","","","","","","1.205","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215667","7.2376","0.0006","8.981","0.0008","10.8011","0.0008","87.807","0.007","76.086","0.007","87.04","0.007","680.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","isonicotinamide - 3,5-dinitrobenzoic acid","4-Carbamoylpyridinium 3,5-dinitrobenzoate","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C26 H20 N8 O14 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0603","0.043","","","0.1102","0.1181","","","","","","0.974","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215668","7.0678","0.0004","8.8189","0.0005","16.2172","0.0009","93.761","0.005","90.458","0.005","95.498","0.005","1003.9","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid isonicotinamide 3-aminobenzoic acid","","- C20 H17 N5 O9 -","- C20 H17 N5 O9 -","- C40 H34 N10 O18 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0843","0.0376","","","0.0585","0.0634","","","","","","0.781","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215669","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0588","0.0352","","","0.0453","0.0482","","","","","","0.825","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215670","13.013","0.002","8.7755","0.0016","8.4187","0.0013","90","","103.902","0.005","90","","933.2","0.3","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H15 La N10 O10 -","- C14 H15 La N10 O10 -","- C28 H30 La2 N20 O20 -","2","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0766","0.0454","","","0.069","0.0766","","","","","","0.995","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215671","11.2216","0.0003","15.0063","0.0004","6.8432","0.0002","90","","90.245","0.002","90","","1152.35","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O5 -","- C7 H10 Cl N5 O5 -","- C28 H40 Cl4 N20 O20 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0657","0.0398","","","0.0943","0.1056","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215672","7.2191","0.0005","24.9432","0.0019","7.4918","0.0005","90","","113.281","0.005","90","","1239.19","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl N5 O4 -","- C9 H12 Cl N5 O4 -","- C36 H48 Cl4 N20 O16 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0835","0.0476","","","0.1101","0.1275","","","","","","1.027","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215673","25.5089","0.0009","25.5089","0.0009","34.3318","0.0017","90","","90","","120","","19346.9","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Ni2 O364 -","- C96 H158 Cl5 Dy25 Ni2 O184 -","- C192 H316 Cl10 Dy50 Ni4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.1879","0.0893","","","0.1902","0.2274","","","","","","0.853","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215674","25.525","0.0011","25.525","0.0011","34.3906","0.0014","90","","90","","120","","19404.5","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Mn2 O364 -","- C96 H158 Cl5 Dy25 Mn2 O184 -","- C192 H316 Cl10 Dy50 Mn4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.2094","0.0877","","","0.1767","0.2193","","","","","","0.82","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215675","10.015","0.0006","9.668","0.0006","26.365","0.0016","90","","97.999","0.005","90","","2528","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N18 -","- C60 H48 N18 -","- C120 H96 N36 -","2","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1345","0.0743","","","0.1935","0.241","","","","","","1.002","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215676","11.653","0.0006","12.157","0.0007","13.87","0.0008","67.552","0.005","89.98","0.006","69.718","0.005","1683.55","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Ag2 N10 O6 -","- C34 H26 Ag2 N10 O6 -","- C68 H52 Ag4 N20 O12 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0638","0.0486","","","0.1333","0.1468","","","","","","1.031","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215677","20.657","0.0008","14.236","0.0006","23.358","0.0009","90","","103.847","0.004","90","","6669.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag4 N20 O14 -","- C69 H51 Ag4 N20 O14 -","- C276 H204 Ag16 N80 O56 -","4","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0977","0.0571","","","0.1478","0.1736","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215678","10.986","0.0004","12.307","0.0005","13.891","0.0006","82.446","0.004","68.707","0.004","71.97","0.003","1663.6","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Ag3 N10 O7 -","- C34 H26 Ag3 N10 O7 -","- C68 H52 Ag6 N20 O14 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0621","0.0435","","","0.092","0.1032","","","","","","1.02","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215679","13.04","0.0008","13.95","0.0011","22.54","0.0015","107.566","0.007","96.682","0.005","96.412","0.006","3835.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 Ag6 N22 O16 -","- C74 H54 Ag6 N22 O16 -","- C148 H108 Ag12 N44 O32 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1821","0.0841","","","0.1783","0.2334","","","","","","0.988","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215680","12.675","0.0005","14.312","0.0007","15.22","0.0007","106.736","0.004","99.655","0.004","115.188","0.004","2254.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Ag5 N10 O12 -","- C46 H29 Ag5 N10 O12 -","- C92 H58 Ag10 N20 O24 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71073","MoKα","","0.0796","0.0498","","","0.1068","0.1245","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215681","11.486","0.0006","12.951","0.0008","13.976","0.0006","85.015","0.004","79.768","0.004","65.61","0.005","1863.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Ag2 N9 O8 -","- C42 H32 Ag2 N9 O8 -","- C84 H64 Ag4 N18 O16 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1017","0.0612","","","0.1375","0.163","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215682","10.325","0.0007","14.158","0.001","14.916","0.001","68.417","0.007","71.336","0.007","81.65","0.006","1920","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H62 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","1","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0814","0.0512","","","0.103","0.1197","","","","","","1.067","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215683","11.927","0.0007","13.94","0.0007","14.06","0.0009","71.773","0.005","79.535","0.005","74.679","0.005","2128.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H33 Ag3 N9 O10 -","- C46 H31 Ag3 N9 O10 -","- C92 H62 Ag6 N18 O20 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1174","0.0646","","","0.1405","0.176","","","","","","1.023","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215688","29.127","0.003","6.885","0.0002","18.849","0.0008","90","","114.089","0.006","90","","3450.8","0.4","100","2","100","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin hemihydrate","","","- C36 H42 F2 N6 O9 -","- C36 H42 F2 N6 O9 -","- C144 H168 F8 N24 O36 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1176","0.0624","","","0.1404","0.1636","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215689","6.745","0.005","13.836","0.009","18.393","0.012","90","","95.38","0.011","90","","1709","2","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Monohydrate","","","- C18 H22 F N3 O5 -","- C18 H22 F N3 O5 -","- C72 H88 F4 N12 O20 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0768","0.061","","","0.1431","0.151","","","","","","1.069","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215690","17.856","0.003","6.989","0.001","36.502","0.007","90","","99.282","0.006","90","","4495.6","1.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Malonic Acid Hydrate","","","- C21 H21 F N3 O9 -","- C21 H21 F N3 O9 -","- C168 H168 F8 N24 O72 -","8","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.1829","0.0963","","","0.2613","0.3253","","","","","","1.032","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215691","6.83","0.004","34.84","0.02","9.908","0.006","90","","105.713","0.012","90","","2270","2","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Maleic acid salt","","","- C22 H20 F N3 O8 -","- C22 H20 F N3 O8 -","- C88 H80 F4 N12 O32 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1829","0.0869","","","0.1726","0.2264","","","","","","1.025","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215692","18.103","0.0012","6.741","0.0004","23.923","0.0017","90","","93.8","0.007","90","","2913","0.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Tetramethylene glutaric acid salt","","","- C27 H29 F N3 O8 -","- C27 H29 F N3 O8 -","- C108 H116 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1699","0.0887","","","0.2253","0.2615","","","","","","0.996","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215693","9.984","0.002","17.199","0.003","19.058","0.004","67.254","0.008","86.503","0.012","77.145","0.011","2941.2","1","100","2","100","2","","","","","","","see text","5","P 1","P 1","1","","","","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","1","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.0544","0.0458","","","0.1102","0.1161","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215694","17.06","0.02","6.916","0.007","19.12","0.02","90","","110.106","0.017","90","","2118","4","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C20 H21 F N3 O8 -","- C20 H21 F N3 O8 -","- C80 H84 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1369","0.0834","","","0.2168","0.2733","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215695","9.135","0.002","12.008","0.003","16.533","0.005","79.91","0.013","78.135","0.014","73.833","0.013","1691.1","0.8","100","","100","2","","","","","","","see text","5","P 1","P 1","1","Levofloxacin 3,5-dinitrobenzoate 1:2","","","- C32 H28 F N7 O16 -","- C32 H28 F N7 O16 -","- C64 H56 F2 N14 O32 -","2","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0438","0.0353","","","0.0824","0.0888","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215696","9.9165","0.0006","13.0528","0.0007","10.9693","0.0007","90","","101.633","0.006","90","","1390.68","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mn N2 O5 -","- C12 H8 Mn N2 O5 -","- C48 H32 Mn4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.138","0.0725","","","0.1713","0.2182","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215697","9.846","0.0012","12.8415","0.0013","10.9975","0.0013","90","","99.39","0.012","90","","1371.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0927","0.066","","","0.1697","0.1923","","","","","","1.054","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215698","7.699","0.003","7.897","0.003","9.378","0.003","84.34","0.03","72.67","0.03","64.01","0.04","488.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","1","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0986","0.0649","","","0.1756","0.2124","","","","","","1.037","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215699","5.1633","0.0011","9.5569","0.0019","12.229","0.003","87.326","0.003","83.816","0.003","76.459","0.003","583.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N10 O3 -","- C6 H12 N10 O3 -","- C12 H24 N20 O6 -","2","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0839","0.0667","","","0.2099","0.2373","","","","","","1.016","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215700","3.6377","0.001","11.723","0.003","12.387","0.003","90","","97.696","0.005","90","","523.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 O4 -","- C4 H8 N10 O4 -","- C8 H16 N20 O8 -","2","0.5","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0902","0.0529","","","0.1315","0.1819","","","","","","1.04","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215701","13.559","0.003","8.9163","0.0017","6.7232","0.0013","90","","93.051","0.004","90","","811.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N7 O6 -","- C2 H7 N7 O6 -","- C8 H28 N28 O24 -","4","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0674","0.043","","","0.097","0.1099","","","","","","1.007","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215702","7.1272","0.0012","12.249","0.002","12.943","0.002","71.973","0.002","89.308","0.002","89.483","0.002","1074.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Acetone Solvate (2)","","","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0322","0.031","","","0.0753","0.0759","","","","","","1.174","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215703","7.091","0.0019","20.479","0.006","14.855","0.005","90","","91.038","0.004","90","","2156.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chloroform Solvate (3)","","","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C68 H76 Ag4 B4 Cl12 F16 N16 -","2","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0807","0.0573","","","0.1403","0.1515","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215704","7.102","0.0018","12.388","0.003","12.794","0.003","72.237","0.004","89.284","0.004","89.239","0.004","1071.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzene Solvate","","","- C38 H42 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0372","","","0.0868","0.0937","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215705","7.0814","0.0011","12.445","0.002","12.837","0.002","71.505","0.002","89.185","0.002","89.43","0.002","1072.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Difluorobenzene Solvate","","","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0459","","","0.1125","0.1148","","","","","","1.153","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215706","6.9746","0.001","12.0647","0.0017","13.1454","0.0018","72.422","0.002","87.762","0.002","86.363","0.002","1052.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Toluene Solvate (6)","","","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0552","0.0412","","","0.0911","0.0962","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215707","5.6482","0.0011","15.05","0.003","8.6769","0.0017","90","","93.73","0.03","90","","736","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0664","0.0614","","","0.1283","0.1313","","","","","","1.191","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215708","18.047","0.004","5.2394","0.001","7.8799","0.0016","90","","94.25","0.03","90","","743","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","1.54187","CuKα","","0.1104","0.0931","","","0.1685","0.1756","","","","","","1.199","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215709","48.195","0.01","13.492","0.003","19.716","0.004","90","","112.39","0.03","90","","11854","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O2 -","- C34 H24 N2 O2 -","- C544 H384 N32 O32 -","16","2","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.1407","0.1002","","","0.2549","0.2724","","","","","","1.374","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215710","4.813","0.003","9.377","0.005","15.91","0.009","90","","90.696","0.009","90","","718","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0744","0.0623","","","0.1107","0.1163","","","","","","1.17","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215711","5.4114","0.0011","20.902","0.004","6.7857","0.0014","90","","107.29","0.03","90","","732.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0795","0.0686","","","0.119","0.1244","","","","","","1.208","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215712","5.307","0.0011","21.226","0.004","6.883","0.0014","90","","107.01","0.03","90","","741.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0751","0.064","","","0.1308","0.1369","","","","","","1.152","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215713","31.3858","0.0014","24.8618","0.0013","13.1852","0.0007","90","","112.774","0.005","90","","9486.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124.5 H122.5 Co9 N23.5 O47.5 -","- C108 H72 Co9 N18 O42 -","- C216 H144 Co18 N36 O84 -","2","0.25","","Kang, Yao; Wang, Fei","A highly-connected metal‒organic framework based on [Co2(μ2-OH2)] units and mononuclear Co centers with high gas uptake capacity","CrystEngComm","2014","16","20","4088","","10.1039/c3ce42361a","","","0.71073","MoKα","","0.0894","0.0639","","","0.1787","0.1941","","","","","","0.955","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215714","29.958","0.004","29.958","0.004","15.57","0.003","90","","90","","120","","12102","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H40 N12 O16 Pb2 -","- C32 H40 N12 O16 Pb2 -","- C288 H360 N108 O144 Pb18 -","9","0.5","","Guo, Chun-Li; Li, Xiao-Zeng; Zhang, Xing-Mei; Wang, Lu; Zhu, Li-Na","A novel porous metal‒organic framework from a new bis(acylhydrazone) ligand capable of reversibly adsorbing/desorbing water and small alcohol molecules","CrystEngComm","2014","16","20","4095","","10.1039/c4ce00140k","","","0.71073","MoKα","","0.0671","0.0571","","","0.1431","0.1503","","","","","","1.14","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215715","27.13","0.005","11.761","0.002","43.999","0.013","90","","128.01","0.02","90","","11061","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H84 Cu2 La2 N10 O28 -","- C124 H84 Cu2 La2 N10 O28 -","- C496 H336 Cu8 La8 N40 O112 -","4","1","","Fang, Wei-Hui; Yang, Guo-Yu","Heterometal‒organic framework with pcu net constructed from mixed linear ligands","CrystEngComm","2014","16","20","4091","","10.1039/c4ce00282b","","","0.71073","MoKα","","0.106","0.0879","","","0.2419","0.2648","","","","","","1.028","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215716","6.785","0.005","7.594","0.006","10.591","0.008","70.714","0.015","77.107","0.014","88.869","0.014","501.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C16 H12 Cu2 N8 O8 -","2","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.1716","0.0858","","","0.1803","0.236","","","","","","1.049","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215717","17.787","0.003","6.6764","0.0013","8.4841","0.0016","90","","102.003","0.003","90","","985.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cu N3 O2 -","- C9 H9 Cu N3 O2 -","- C36 H36 Cu4 N12 O8 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0907","0.0508","","","0.121","0.1628","","","","","","1.003","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215718","13.5498","0.0016","6.5985","0.0008","13.6226","0.0016","90","","116.118","0.002","90","","1093.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cu N4 O5 -","- C8 H8 Cu N4 O5 -","- C32 H32 Cu4 N16 O20 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0439","0.0331","","","0.0795","0.0855","","","","","","1.075","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215719","6.8518","0.0004","11.3764","0.0006","17.4137","0.0008","90","","90","","90","","1357.38","0.12","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0328","0.0288","","","0.0732","0.0743","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215720","7.0652","0.0004","11.3687","0.0006","17.5723","0.0008","90","","90","","90","","1411.44","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0592","0.0315","","","0.067","0.0717","","","","","","0.854","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215721","12.2742","0.0003","15.2924","0.0004","16.6009","0.0005","69.246","0.003","80.702","0.002","70.336","0.002","2740.72","0.14","110","2","110","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.08","0.0387","","","0.0792","0.086","","","","","","0.826","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215722","12.3034","0.0004","15.406","0.0005","16.9536","0.0004","69.62","0.002","80.598","0.002","70.17","0.003","2829.99","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","1.54184","CuKα","","0.0489","0.0441","","","0.1218","0.1284","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215723","11.9796","0.0004","9.9836","0.0004","10.9926","0.0004","90","","103.664","0.004","90","","1277.5","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0395","0.0347","","","0.0935","0.0958","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215724","11.9699","0.0006","10.1432","0.0007","11.0736","0.0007","90","","103.312","0.005","90","","1308.35","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.1104","0.1153","","","","","","1.091","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215725","11.6407","0.0008","12.0666","0.0009","12.0964","0.0008","90","","91.535","0.007","90","","1698.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0716","0.0531","","","0.1191","0.1312","","","","","","1.045","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215726","11.756","0.002","12.176","0.002","12.2037","0.0019","90","","91.224","0.015","90","","1746.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.2084","0.0345","","","0.0491","0.0651","","","","","","0.605","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215727","12.678","0.012","12.682","0.012","15.44","0.014","90","","96.706","0.01","90","","2465","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B20 H22 K8 O57 V6 -","- B20 K8 O57 V6 -","- B40 K16 O114 V12 -","2","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0408","0.0393","","","0.1162","0.1172","","","","","","1.094","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215728","19.49","0.02","19.16","0.02","20.09","0.02","90","","91.785","0.012","90","","7499","13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H68 B18 K6 N6 O76 V12 -","- C8 B18 K6 N6 O76 V12 -","- C32 B72 K24 N24 O304 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0559","0.0482","","","0.1275","0.133","","","","","","1.181","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215729","22.3371","0.001","12.5753","0.0006","22.3967","0.0011","90","","116.864","0.001","90","","5612.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H58 B20 K2 N6 O59 V6 -","- C8 H32 B20 K2 N6 O59 V6 -","- C32 H128 B80 K8 N24 O236 V24 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0654","0.0632","","","0.1626","0.1645","","","","","","1.057","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215730","18.212","0.002","19.276","0.002","19.306","0.002","90","","90","","90","","6777.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B18 H36 K10 O75 V12 -","- B18 K10 O75 V12 -","- B72 K40 O300 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0696","0.0621","","","0.194","0.2029","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215731","11.901","0.012","13.365","0.014","13.987","0.014","117.07","0.011","96.342","0.012","107.344","0.013","1810","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B18 H46 K10 O80 V12 -","- B18 K10 O80 V12 -","- B18 K10 O80 V12 -","1","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0753","0.0669","","","0.1924","0.2009","","","","","","1.048","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215732","8.1577","0.0006","10.1407","0.0008","18.2913","0.0014","95.207","0.001","94.88","0.001","98.663","0.001","1482.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C56 H40 F16 N8 O16 -","4","2","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.077","0.0568","","","0.167","0.1823","","","","","","1.07","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215733","7.825","0.0004","9.0424","0.0004","11.634","0.0004","92.81","0.003","105.233","0.004","115.272","0.005","705.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C28 H20 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0959","0.0637","","","0.1626","0.1871","","","","","","1.034","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215734","4.886","0.0012","11.475","0.003","17.771","0.004","90","","90.01","0.01","90","","996.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F4 N10 O4 -","- C16 H16 F4 N10 O4 -","- C32 H32 F8 N20 O8 -","2","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.053","0.044","","","0.1384","0.1446","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215735","7.657","0.0004","10.0492","0.0008","11.3387","0.0004","89.108","0.004","86.461","0.003","83.07","0.005","864.42","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.068","0.0472","","","0.1202","0.1367","","","","","","1.042","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215736","28.889","0.002","9.7001","0.0008","19.7288","0.0016","90","","129.198","0.001","90","","4284.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F12 N6 O12 -","- C48 H29 F12 N6 O12 -","- C192 H116 F48 N24 O48 -","4","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1089","0.0626","","","0.1658","0.1912","","","","","","0.909","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215737","7.3027","0.0006","9.6227","0.0007","9.7417","0.0007","94.022","0.006","109.536","0.007","90.479","0.006","643.2","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F4 N2 O4 -","- C13 H9 F4 N2 O4 -","- C26 H18 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0635","0.0448","","","0.1011","0.1181","","","","","","1.054","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215738","6.1044","0.0004","12.0203","0.0006","20.6007","0.0013","90","","97.195","0.005","90","","1499.71","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F4 N3 O6 -","- C13 H11 F4 N3 O6 -","- C52 H44 F16 N12 O24 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1075","0.053","","","0.086","0.1035","","","","","","0.999","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215739","9.0755","0.0004","36.884","0.002","9.7005","0.0003","90","","93.508","0.003","90","","3241.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F8 N4 O9 -","- C32 H24 F8 N4 O9 -","- C128 H96 F32 N16 O36 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0932","0.0548","","","0.111","0.1276","","","","","","1.024","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215740","7.1153","0.0005","8.4148","0.0006","14.4196","0.0013","99.895","0.001","97.073","0.002","111.878","0.001","772.54","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0644","0.0531","","","0.1488","0.1597","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215741","13.982","0.003","6.4735","0.0015","15.002","0.004","90","","100.43","0.003","90","","1335.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-({((1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl}sulfonyl)ethanol","","- C12 H22 O3 S -","- C12 H22 O3 S -","- C48 H88 O12 S4 -","4","2","","Lodochnikova, Olga A.; Startseva, Valeriya A.; Nikitina, Liliya E.; Bodrov, Andrei V.; Klimovitskii, Alexander E.; Klimovitskii, Evgenii N.; Litvinov, Igor A.","When two symmetrically independent molecules must be different: “Crystallization-induced diastereomerization” of chiral pinanyl sulfone","CrystEngComm","2014","16","20","4314","","10.1039/c3ce42642d","","x-ray","0.71073","MoKα","","0.131","0.0601","","","0.1446","0.1743","","","","","","0.975","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215742","6.7596","0.0002","31.6474","0.0008","7.9922","0.0003","90","","108.548","0.003","90","","1620.91","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H F4 I O2 -","- C7 H F4 I O2 -","- C56 H8 F32 I8 O16 -","8","4","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.035918","0.034122","","","0.0808","0.084841","","","","","","1.04612","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215743","6.2546","0.0004","7.8761","0.0004","11.5781","0.0006","78.743","0.005","75.347","0.005","83.455","0.005","539.94","0.05","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F4 I O2 S -","- C9 H5 F4 I O2 S -","- C18 H10 F8 I2 O4 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0383","0.0346","","","0.1","0.1025","","","","","","1.097","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215744","5.7209","0.0007","10.3273","0.0013","14.4539","0.0017","107.044","0.011","99.741","0.01","92.149","0.01","801.24","0.18","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","1","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0695","0.0494","","","0.1024","0.1123","","","","","","1.066","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215745","6.295","0.0003","6.3948","0.0005","8.09","0.003","90","","104.161","0.013","90","","315.77","0.12","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 O2 S2 -","- C4 H8 O2 S2 -","- C8 H16 O4 S4 -","2","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0337","0.0292","","","0.0759","0.0827","","","","","","1.139","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215746","5.89886","0.00016","21.0112","0.0005","16.1143","0.0004","90","","95.557","0.003","90","","1987.85","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br2 F8 O4 S2 -","- C16 H10 Br2 F8 O4 S2 -","- C64 H40 Br8 F32 O16 S8 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0395","0.0292","","","0.0612","0.0651","","","","","","1.032","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215747","9.1682","0.0014","9.4618","0.0016","12.3198","0.0016","75.183","0.014","74.084","0.013","79.202","0.014","985.6","0.3","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F8 I2 O3 S -","- C16 H10 F8 I2 O3 S -","- C32 H20 F16 I4 O6 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0317","0.0254","","","0.0517","0.0556","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215748","16.0299","0.0011","4.0059","0.0002","25.154","0.003","90","","106.546","0.009","90","","1548.4","0.2","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 I N2 O -","- C16 H9 F4 I N2 O -","- C64 H36 F16 I4 N8 O4 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0724","0.0651","","","0.1239","0.1267","","","","","","1.325","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215749","6.954","0.0003","7.6099","0.0003","8.6454","0.0003","106.098","0.002","101.881","0.002","93.586","0.002","426.66","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C18 H18 N6 O4 -","2","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0495","0.0401","","","0.1273","0.133","","","","","","1.603","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215750","5.0172","0.0011","9.3768","0.0019","21.357","0.004","90","","96.602","0.01","90","","998.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N3 O4 -","- C10 H7 N3 O4 -","- C40 H28 N12 O16 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0865","0.0546","","","0.1173","0.1308","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215751","5.2611","0.0002","9.6714","0.0004","19.3615","0.0008","90","","90","","90","","985.16","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0316","0.0295","","","0.0745","0.0767","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215752","14.5117","0.0007","5.1416","0.0002","12.3092","0.0006","90","","107.607","0.002","90","","875.41","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0395","0.0323","","","0.1036","0.1186","","","","","","0.907","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215753","5.7364","0.0002","11.9294","0.0005","18.466","0.0009","90","","90","","90","","1263.66","0.09","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0765","0.0476","","","0.0852","0.0973","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215754","5.5178","0.0008","6.735","0.001","13.337","0.002","87.308","0.006","82.823","0.006","74.791","0.006","474.48","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C20 H18 N6 O6 -","2","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0839","0.0591","","","0.1584","0.1933","","","","","","1.178","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215755","7.4126","0.0006","7.672","0.0006","8.1731","0.0006","88.391","0.006","83.564","0.006","80.059","0.006","454.92","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C16 H26 N6 O2 -","2","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0419","0.039","","","0.1046","0.1073","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215756","8.0772","0.0003","7.2986","0.0003","20.4169","0.0007","90","","90","","90","","1203.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0481","0.0408","","","0.1051","0.11","","","","","","1.062","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215757","8.5829","0.0004","21.4843","0.0008","7.205","0.0004","90","","114.405","0.006","90","","1209.87","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0473","0.0469","","","0.1312","0.1319","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215758","21.7368","0.0015","7.2102","0.0006","15.5904","0.0015","90","","90","","90","","2443.4","0.4","173","2","173","2","","","","","","","","4","A b m 2","A 2 -2b","39","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C72 H136 N40 O16 -","8","","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0527","0.0397","","","0.0833","0.0889","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215759","11.426","0.002","11.1168","0.0009","7.4318","0.0008","90","","101.235","0.015","90","","925.9","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C32 H52 N12 O4 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0633","0.0526","","","0.1262","0.1343","","","","","","1.04","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215760","10.13","0.002","10.646","0.002","28.531","0.006","90","","94.23","0.03","90","","3068.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cd2 N10 O10 -","- C30 H18 Cd2 N10 O10 -","- C120 H72 Cd8 N40 O40 -","4","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0518","0.0394","","","0.0804","0.0859","","","","","","1.085","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215761","19.408","0.004","38.069","0.008","14.436","0.003","90","","105.32","0.03","90","","10287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H23.5 Mn3 N15 O18.25 -","- C45 H21 Mn3 N15 O18.25 -","- C360 H168 Mn24 N120 O146 -","8","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.1106","0.0652","","","0.1651","0.1917","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215762","9.976","0.002","9.999","0.002","17.099","0.003","85.38","0.03","75.37","0.03","84.31","0.03","1639.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Cu3 N10 O12 -","- C30 H18 Cu3 N10 O12.5 -","- C60 H36 Cu6 N20 O25 -","2","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0601","0.0438","","","0.1169","0.1277","","","","","","1.09","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215763","4.6927","0.0003","13.1132","0.001","14.7084","0.0014","90","","90.09","0.006","90","","905.1","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-3[1-(3,4,5-trimethoxy-benzylimino)-ethyl]chromen-2-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C42 H42 N2 O12 -","2","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0574","0.0337","","","0.0536","0.0564","","","","","","0.8","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215764","11.4149","0.0003","15.5812","0.0003","15.0592","0.0004","90","","126.999","0.002","90","","2139.09","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[phenyl-(3,4,5-tromethoxy-bezylimino)-methyl] chromen-2-one","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C104 H92 N4 O24 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0555","0.0331","","","0.0689","0.0721","","","","","","0.861","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215765","8.166","0.003","17.642","0.003","10.775","0.004","90","","117.06","0.02","90","","1382.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[(2-imidazol-1-yl-ethylimino)-methyl]-chromen-2-one","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.6","synchrotron","","0.0366","0.0355","","","0.0977","0.0986","","","","","","1.031","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215766","8.4362","0.0005","10.7119","0.0007","19.9504","0.0017","94.185","0.006","102.2","0.006","94.855","0.005","1748.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br2 Cd N4 O12 -","- C30 H40 Br2 Cd N4 O12 -","- C60 H80 Br4 Cd2 N8 O24 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0724","0.058","","","0.1523","0.1614","","","","","","1.065","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215767","9.324","0.002","11.882","0.003","12.235","0.003","70.286","0.01","75.784","0.012","68.281","0.011","1174.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Br Cd N2 O10 -","- C19 H26 Br Cd N2 O10 -","- C38 H52 Br2 Cd2 N4 O20 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0633","0.0579","","","0.179","0.1847","","","","","","1.006","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215768","4.8042","0.0002","14.8701","0.0005","15.6243","0.0005","67.284","0.003","85.298","0.003","88.19","0.003","1026.14","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Tetraglycine","Glycyl-glycyl-glycyl-glycine","","- C8 H14 N4 O5 -","- C8 H14 N4 O5 -","- C32 H56 N16 O20 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.0404","0.0391","","","0.1101","0.1116","","","","","","1.018","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215769","4.7995","0.0003","14.9108","0.0015","17.6905","0.0019","90.203","0.008","94.866","0.007","91.976","0.007","1260.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pentaglycine","Glycyl-glycyl-glycyl-glycyl-glycine","","- C10 H17 N5 O6 -","- C10 H17 N5 O6 -","- C40 H68 N20 O24 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.1074","0.0858","","","0.235","0.2538","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215775","13.6808","0.0004","12.634","0.0002","12.783","0.0003","90","","116.983","0.004","90","","1968.94","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H19.7 F4 Fe4 N2 O14.43 P4 -","- C3.5 H18.57 F4 Fe4 N2 O14.43 P4 -","- C14 H74.28 F16 Fe16 N8 O57.72 P16 -","4","1","","Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel","Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)","CrystEngComm","2014","","","","","10.1039/c4ce00264d","","","0.71073","MoKα","","0.0873","0.0867","","","0.2067","0.2069","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215776","13.6823","0.0004","12.6063","0.0003","12.7535","0.0004","90","","116.988","0.004","90","","1960.21","0.12","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H20 Co1.29 F4 Fe2.71 N2 O14.38 P4 -","- C3.5 H19.62 Co1.32 F4 Fe2.68 N2 O14.38 P4 -","- C14 H78.48 Co5.28 F16 Fe10.72 N8 O57.52 P16 -","4","1","","Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel","Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)","CrystEngComm","2014","","","","","10.1039/c4ce00264d","","","0.71073","MoKα","","0.0676","0.0658","","","0.1384","0.1391","","","","","","1.131","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215779","14.3171","0.0003","17.6113","0.0003","20.4106","0.0003","90","","90","","90","","5146.38","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ag4 I12 N8 -","- C20 H56 Ag4 I12 N8 -","- C80 H224 Ag16 I48 N32 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0484","0.0361","","","0.0785","0.0852","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215780","7.7685","0.0003","14.0322","0.0004","12.8393","0.0004","90","","94.638","0.003","90","","1395.02","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H32 Ag2 I6 N4 O2 -","- C20 H64 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0373","0.0292","","","0.0597","0.0638","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215781","11.43","0.002","8.641","0.0017","14.858","0.003","90","","109.533","0.003","90","","1383","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H28 Ag2 I6 N4 O2 -","- C20 H56 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0384","0.0292","","","0.0778","0.1124","","","","","","1.222","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215782","13.5726","0.0005","25.6551","0.0011","7.9367","0.0003","90","","93.767","0.004","90","","2757.64","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H38 Ag10 I12 N2 O4 S4 -","- C13 H10 Ag10 I12 N2 O4 S4 -","- C26 H20 Ag20 I24 N4 O8 S8 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0722","0.0516","","","0.1076","0.1185","","","","","","1.045","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215783","8.856","0.0008","9.3709","0.0009","12.7384","0.0012","90","","90","","90","","1057.14","0.17","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Ag I2 N2 -","- C5 H10 Ag I2 N2 -","- C20 H40 Ag4 I8 N8 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.08","0.0798","","","0.1857","0.1859","","","","","","1.342","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215784","21.0624","0.0007","23.7188","0.0007","24.3861","0.0007","90","","90","","90","","12182.7","0.6","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C9 H26 Ag4 I6 N2 O2 S2 -","- C9 H14 Ag4 I6 N2 O2 S2 -","- C144 H224 Ag64 I96 N32 O32 S32 -","16","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0702","0.0455","","","0.0939","0.1041","","","","","","1.07","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215785","10.5218","0.0005","8.1301","0.0004","16.0861","0.0007","90","","97.522","0.004","90","","1364.22","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Ag2 I3 N2 -","- C5 H13 Ag2 I3 N2 -","- C20 H52 Ag8 I12 N8 -","4","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0577","0.0391","","","0.0838","0.0967","","","","","","1.038","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215786","8.1241","0.0003","30.3843","0.001","15.6616","0.0005","90","","90","","90","","3866","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 La2 N5 O14 -","- C27 H23 La2 N5 O14 -","- C108 H92 La8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.051","0.0434","","","0.1085","0.1113","","","","","","1.08","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215787","8.1162","0.0004","30.2842","0.0014","15.6709","0.0007","90","","90","","90","","3851.8","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Ce2 N5 O14 -","- C27 H23 Ce2 N5 O14 -","- C108 H92 Ce8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0478","0.0401","","","0.1004","0.1028","","","","","","1.087","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215788","8.5085","0.0004","16.0156","0.0008","27.9393","0.0014","90","","90","","90","","3807.3","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N5 O14 Tb2 -","- C27 H23 N5 O14 Tb2 -","- C108 H92 N20 O56 Tb8 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0513","0.0418","","","0.1008","0.105","","","","","","1.06","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215789","14.2109","0.0005","17.6868","0.0006","14.211","0.0005","90","","118.306","0.002","90","","3144.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0463","0.0373","","","0.1034","0.1068","","","","","","1.089","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215790","12.0504","0.0003","9.9837","0.0002","24.8139","0.0005","90","","101.298","0.001","90","","2927.45","0.11","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C96 H48 Br16 Cd8 N16 O32 -","8","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0275","0.0233","","","0.0457","0.0468","","","","","","1.084","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215791","13.2579","0.0005","11.438","0.0003","28.745","0.001","90","","99.887","0.002","90","","4294.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Mn3 N6 O15 -","- C31 H30 Mn3 N6 O15 -","- C124 H120 Mn12 N24 O60 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.081","0.0668","","","0.1727","0.1797","","","","","","1.043","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215792","10.8285","0.0004","11.1933","0.0004","14.799","0.0006","90","","90","","90","","1793.74","0.12","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 Zn -","- C15 H21 N3 O6 Zn -","- C60 H84 N12 O24 Zn4 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.032","0.0283","","","0.0639","0.0651","","","","","","1.042","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215793","9.2879","0.0003","11.9733","0.0003","16.3513","0.0005","90","","101.709","0.0016","90","","1780.54","0.09","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 Cd N3 O6 -","- C15 H21 Cd N3 O6 -","- C60 H84 Cd4 N12 O24 -","4","2","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0398","0.0328","","","0.0653","0.0685","","","","","","1.061","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215794","8.0234","0.0001","30.2439","0.0005","15.328","0.0002","90","","90","","90","","3719.48","0.09","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 N5 O14 Sm2 -","- C27 H23 N5 O14 Sm2 -","- C108 H92 N20 O56 Sm8 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.034","0.0294","","","0.0758","0.0781","","","","","","1","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215795","8.127","0.0016","10.346","0.002","10.659","0.002","62.22","0.03","83.15","0.03","79.28","0.03","778.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H19 Cl N2 O7 -","- C11 H19 Cl N2 O7 -","- C22 H38 Cl2 N4 O14 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2074","0.1638","","","0.4369","0.4776","","","","","","1.861","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215796","11.802","0.002","15.408","0.003","13.991","0.003","90","","90.28","0.03","90","","2544.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B F4.5 N O6 -","- C22 H33 B F4.5 N O6 -","- C88 H132 B4 F18 N4 O24 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1698","0.0992","","","0.286","0.3369","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215797","12.222","0.002","14.09","0.003","13.8","0.003","90","","98.09","0.03","90","","2352.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cl2 N2 O10 -","- C17 Cl2 N2 O10 -","- C68 Cl8 N8 O40 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2458","0.2083","","","0.5162","0.5438","","","","","","3.505","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7215798","8.6838","0.0017","14.33","0.003","9.2084","0.0018","90","","103.72","0.03","90","","1113.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 B F2 N O8 -","- C19 H31 B F2 N O8 -","- C38 H62 B2 F4 N2 O16 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.0952","0.0537","","","0.1117","0.1283","","","","","","1.023","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215799","17.415","0.004","8.8817","0.0018","23.87","0.005","90","","97.56","0.03","90","","3660","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H B F N O -","- C1.18033 B0.131148 F0.52459 N0.196721 O0.459016 -","- C72 B8 F32 N12 O28 -","61","15.25","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.5173","0.4559","","","0.7919","0.8207","","","","","","3.32","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215800","8.763","0.0018","14.503","0.003","15.775","0.003","90","","98.41","0.03","90","","1983.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 B F4 N O5 -","- C16 H26 B F4 N O5 -","- C64 H104 B4 F16 N4 O20 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1713","0.1006","","","0.2804","0.3355","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215801","15.6904","0.0006","21.8223","0.0008","15.8024","0.0006","90","","113.256","0.001","90","","4971.1","0.3","120","0.2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H63 N3 O13 S2 -","- C50 H61 N3 O13 S2 -","- C200 H244 N12 O52 S8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.2219","0.0752","","","0.151","0.1891","","","","","","0.865","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215802","7.3589","0.0003","20.83","0.0009","11.2706","0.0005","90","","91.727","0.003","90","","1726.84","0.13","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1481","0.079","","","0.1786","0.2012","","","","","","1.043","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215803","7.106","0.002","22.507","0.007","11.576","0.003","90","","90.143","0.008","90","","1851.4","0.9","120","0.2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 F6 N O2 P -","- C17 H20 F6 N O2 P -","- C68 H80 F24 N4 O8 P4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1368","0.0632","","","0.1223","0.1431","","","","","","0.972","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215804","14.2243","0.001","14.419","0.0009","22.4404","0.0015","90","","104.933","0.004","90","","4447.1","0.5","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O9 -","- C23 H22 N4 O9 -","- C184 H176 N32 O72 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","1.54178","CuKα","","0.111","0.084","","","0.2049","0.2272","","","","","","1.046","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215805","11.737","0.001","26.623","0.002","8.2528","0.0007","90","","109.714","0.003","90","","2427.6","0.3","120","0.2","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O9 -","- C26 H25 N4 O9 -","- C104 H100 N16 O36 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1808","0.0808","","","0.1869","0.2235","","","","","","0.914","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215806","8.9861","0.0004","9.0343","0.0004","40.1047","0.0017","90","","90","","90","","3255.8","0.2","120","0.2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 B N O2 -","- C41 H40 B N O2 -","- C164 H160 B4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1312","0.0732","","","0.113","0.1282","","","","","","0.962","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215807","7.3008","0.0003","20.8807","0.0006","11.3281","0.0004","90","","91.918","0.002","90","","1725.95","0.11","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.0996","0.0572","","","0.1336","0.1478","","","","","","1.045","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215808","7.319","0.002","20.852","0.007","11.302","0.004","90","","91.835","0.005","90","","1724","1","170.2","0.2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.083","0.0601","","","0.1668","0.1791","","","","","","1.093","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215809","16.3042","0.0011","22.6007","0.0008","17.1913","0.0009","90","","115.29","0.007","90","","5727.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H84 Co2 N30 O42 Si W12 -","- C90 H80 Co2 N30 O42 Si W12 -","- C180 H160 Co4 N60 O84 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.1189","0.0682","","","0.1111","0.1338","","","","","","1.078","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215810","12.6869","0.0007","22.7919","0.0014","28.5112","0.0019","90","","90","","90","","8244.3","0.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C54 H54 Cu2 N18 O43 Si W12 -","- C54 H50 Cu2 N18 O43 Si W12 -","- C216 H200 Cu8 N72 O172 Si4 W48 -","4","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.0978","0.0834","","","0.1566","0.1636","","","","","","1.06","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215811","39.799","0.002","31.5266","0.0009","22.974","0.0011","90","","117.023","0.006","90","","25679","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C304 H496 Gd7 N80 Na7 O254 S32 -","- C304 H276 Gd7 N80 Na7 O254 S32 -","- C608 H552 Gd14 N160 Na14 O508 S64 -","2","0.25","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Manipulating the conformation and interplay of p-sulfonated calix[4]arenes by lower rim tri-substitution with N′-cyanocarbamimidate groups","CrystEngComm","2014","16","23","5159","","10.1039/c4ce00336e","","","0.71073","MoKα","","0.2253","0.142","","","0.2837","0.3217","","","","","","1.178","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215813","9.1726","0.0005","10.6903","0.0006","10.7126","0.0006","73.15","0.005","80.841","0.005","64.809","0.005","908.96","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 F4 N8 O4 -","- C44 H26 F4 N8 O4 -","- C44 H26 F4 N8 O4 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0457","0.0404","","","0.1051","0.1092","","","","","","1.088","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215814","10.2589","0.0002","12.2242","0.0002","22.2473","0.0005","90","","95.29","0.002","90","","2778.08","0.09","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 F4 N8 O4 -","- C32 H24 F4 N8 O4 -","- C128 H96 F16 N32 O16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0527","0.0457","","","0.1267","0.132","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215815","8.1317","0.0004","9.043","0.0005","15.1631","0.0007","96.3","0.004","98.584","0.004","116.492","0.005","966.98","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F2 N4 O2 -","- C24 H15 F2 N4 O2 -","- C48 H30 F4 N8 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.036","0.0336","","","0.088","0.0898","","","","","","1.056","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215816","8.0055","0.0005","8.5844","0.0005","15.3367","0.0008","74.027","0.005","88.077","0.005","67.144","0.006","930.52","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N4 O2 -","- C24 H17 N4 O2 -","- C48 H34 N8 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0439","0.0372","","","0.0957","0.1007","","","","","","1.042","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215817","8.6578","0.0007","9.6463","0.0006","11.6657","0.0007","109.413","0.006","101.096","0.006","92.685","0.006","895.22","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 F4 N8 -","- C40 H38 F4 N8 -","- C40 H38 F4 N8 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.056","0.0473","","","0.1244","0.1334","","","","","","1.029","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215818","12.904","0.001","13.3891","0.0008","19.189","0.0012","76.376","0.005","75.564","0.006","65.911","0.006","2897.3","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H28 F4 N8 O0.5 -","- C30.5 H28 F4 N8 O0.5 -","- C122 H112 F16 N32 O2 -","4","2","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.1462","0.0657","","","0.1591","0.2157","","","","","","0.91","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215819","11.375","0.0003","7.1927","0.0002","12.4527","0.0003","90","","93.83","0.002","90","","1016.57","0.05","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 F4 N6 -","- C24 H14 F4 N6 -","- C48 H28 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0377","0.033","","","0.0882","0.0917","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215820","7.2739","0.0009","8.9106","0.0011","14.8749","0.0018","105.302","0.01","98.243","0.01","102.661","0.01","886.3","0.2","130","2","130.4","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F4 N6 -","- C48 H30 F4 N6 -","- C48 H30 F4 N6 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.109","0.0636","","","0.1595","0.211","","","","","","0.971","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215821","13.4546","0.0011","11.4276","0.001","9.1962","0.0009","90","","101.49","0.008","90","","1385.6","0.2","130","0.1","130","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C32 H32 F4 N8 -","- C32 H32 F4 N8 -","- C64 H64 F8 N16 -","2","0.25","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0622","0.0523","","","0.1459","0.1557","","","","","","1.073","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215822","8.0153","0.0004","10.5291","0.0007","11.0731","0.0007","73.207","0.005","69.339","0.005","74.309","0.005","822.17","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H22 F4 N8 O4.5 -","- C36.5 H22 F4 N8 O4.5 -","- C36.5 H22 F4 N8 O4.5 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0542","0.0472","","","0.1307","0.1385","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215823","8.2034","0.0005","10.8428","0.001","10.9912","0.001","95.047","0.007","109.56","0.007","108.643","0.007","851.82","0.14","130","2","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H20 F4 N10 O8 -","- C36 H20 F4 N10 O8 -","- C36 H20 F4 N10 O8 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0554","0.0383","","","0.1014","0.1076","","","","","","1.1","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215824","18.3535","0.0005","18.1472","0.0005","7.4618","0.0002","90","","101.507","0.002","90","","2435.31","0.12","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 F4 N6 -","- C30 H18 F4 N6 -","- C120 H72 F16 N24 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0372","0.0333","","","0.0903","0.094","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215825","5.0039","0.0003","15.2708","0.0008","16.7605","0.001","90","","95.417","0.006","90","","1275.01","0.13","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 N6 -","- C32 H22 F4 N6 -","- C64 H44 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0977","0.0948","","","0.2791","0.2812","","","","","","1.145","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215826","5.4139","0.0005","10.4083","0.0011","13.9398","0.0017","104.24","0.01","98.724","0.009","104.128","0.009","719.36","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 F4 N6 -","- C38 H22 F4 N6 -","- C38 H22 F4 N6 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0461","0.0401","","","0.1094","0.1156","","","","","","1.063","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215827","6.511","0.0003","16.6335","0.0006","11.4633","0.0004","90","","94.157","0.003","90","","1238.22","0.08","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F4 N6 -","- C32 H20 F4 N6 -","- C64 H40 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0482","0.0436","","","0.1265","0.1304","","","","","","1.073","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215828","3.9459","0.0002","22.7301","0.0008","11.1951","0.0005","90","","107.725","0.004","90","","956.43","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0514","0.0419","","","0.1043","0.1101","","","","","","1.048","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215829","4.0274","0.0003","22.705","0.0016","11.2415","0.0006","90","","107.874","0.007","90","","978.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0666","0.0453","","","0.1059","0.1167","","","","","","1.031","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215830","5.2575","0.0006","22.8695","0.0016","7.9917","0.0009","90","","90.61","0.013","90","","960.84","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0661","0.0585","","","0.1514","0.1591","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215831","24.078","0.002","5.2381","0.0002","15.9279","0.0013","90","","109.382","0.009","90","","1895","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0644","0.0465","","","0.1109","0.1214","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215832","24.1282","0.0015","5.2571","0.0002","16.125","0.0011","90","","109.197","0.005","90","","1931.6","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0738","0.0538","","","0.1043","0.1119","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215833","15.026","0.009","15.473","0.009","15.512","0.009","108.495","0.005","117.49","","96.862","0.006","2879","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C96 H84 Cl4 Cu6 Eu2 N8 O44 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Bilayer architecture based on hexanuclear heterometal cluster units","CrystEngComm","2014","16","29","6790","","10.1039/c4ce00747f","","","0.71073","MoKα","","0.1172","0.0882","","","0.2165","0.2465","","","","","","1.048","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215834","14.0612","0.0002","16.1146","0.0002","15.5087","0.0002","90","","103.837","0.002","90","","3412.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 In O8 -","- C28 H16 In O8 -","- C112 H64 In4 O32 -","4","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0382","0.036","","","0.1226","0.1251","","","","","","1.014","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215835","10.7454","0.0001","10.7454","0.0001","14.4927","0.0005","90","","90","","90","","1673.38","0.06","173","2","173","2","","","","","","","","4","P -4 2 c","P -4 2c","112","","","","- C7 H4 In0.25 O2 -","- C7 H4 In0.25 O2 -","- C56 H32 In2 O16 -","8","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0577","0.0511","","","0.1688","0.1815","","","","","","1.118","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215836","7.958","0.0016","9.157","0.0018","10.069","0.002","76.71","0.03","84.84","0.03","67.98","0.03","662","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","synchrotron","","0.0211","0.0208","","","0.0494","0.0496","","","","","","1.186","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215837","25.839","0.006","11.48","0.003","24.597","0.008","90","","113.623","0.013","90","","6685","3","123","2","123.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H58 Ag4 F12 N8 O15 S4 -","- C53 H58 Ag4 F12 N8 O15 S4 -","- C212 H232 Ag16 F48 N32 O60 S16 -","4","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.1189","0.0589","","","0.1224","0.1506","","","","","","0.984","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215838","8.2084","0.0004","10.3939","0.0004","12.6354","0.0006","71.597","0.002","77.611","0.003","86.597","0.002","999.03","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Ag F6 N2 O2 P -","- C16 H22 Ag F6 N2 O2 P -","- C32 H44 Ag2 F12 N4 O4 P2 -","2","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0604","0.0397","","","0.0679","0.0755","","","","","","1.034","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215839","8.289","0.0017","9.838","0.002","11.203","0.002","102.51","0.03","102.92","0.03","93.06","0.03","864.3","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","Synchrotron","","0.0385","0.0352","","","0.0895","0.0916","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215840","13.631","0.0008","16.7804","0.0008","10.9261","0.0006","90","","115.623","0.002","90","","2253.4","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H20 Ag F3 N4 O3 S -","- C21 H20 Ag F3 N4 O3 S -","- C84 H80 Ag4 F12 N16 O12 S4 -","4","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0468","0.0396","","","0.0833","0.0875","","","","","","1.023","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215841","6.5627","0.0005","8.2007","0.0007","8.5966","0.0007","83.164","0.004","71.318","0.003","71.589","0.003","415.77","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0704","0.0517","","","0.1247","0.1372","","","","","","1.109","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215842","6.1328","0.0005","7.1872","0.0006","10.0545","0.0009","78.816","0.005","74.898","0.005","79.084","0.006","415.21","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0741","0.05","","","0.1049","0.1158","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215843","38.973","0.008","11.992","0.002","17.704","0.004","90","","105.94","0.03","90","","7956","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cu2 I2 N2 P2 -","- C42 H32 Cu2 I2 N2 P2 -","- C336 H256 Cu16 I16 N16 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0382","0.0336","","","0.0743","0.0761","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215844","10.1854","0.0012","13.224","0.003","28.904","0.006","90","","90","","90","","3893.1","1.3","148","2","148","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu3 I3 N2 P2 -","- C38 H36 Cu3 I3 N2 P2 -","- C152 H144 Cu12 I12 N8 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0431","0.0356","","","0.0632","0.0656","","","","","","1.238","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215845","15.983","0.003","11.391","0.002","16.357","0.003","90","","108.82","0.03","90","","2818.8","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cu I N P2 -","- C31 H27 Cu I N P2 -","- C124 H108 Cu4 I4 N4 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0543","0.0357","","","0.045","0.0475","","","","","","1.377","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215846","23.986","0.005","13.948","0.003","21.765","0.004","90","","109.18","0.03","90","","6877","3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu2 I2 N P2 -","- C23 H43 Cu2 I2 N P2 -","- C184 H344 Cu16 I16 N8 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0501","0.0377","","","0.0605","0.0618","","","","","","1.692","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215847","15.3727","0.0011","16.4442","0.0012","14.2397","0.0011","90","","122.25","0.001","90","","3044.3","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu3 I3 N P2 -","- C23 H43 Cu3 I3 N P2 -","- C92 H172 Cu12 I12 N4 P8 -","4","0.5","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0339","0.0295","","","0.0641","0.0664","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215848","9.1258","0.0003","11.138","0.0004","11.3262","0.0004","77.317","0.003","68.681","0.004","79.25","0.003","1039.05","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 La N O9 S3 -","- C12 H19 La N O9 S3 -","- C24 H38 La2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0279","0.0262","","","0.0721","0.0738","","","","","","1.015","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215849","9.14","0.0005","11.1538","0.0003","11.2716","0.0006","77.261","0.003","68.453","0.005","78.843","0.003","1034.43","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 N Nd O9 S3 -","- C12 H19 N Nd O9 S3 -","- C24 H38 N2 Nd2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0307","0.0269","","","0.0706","0.0728","","","","","","1.108","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215850","9.1686","0.0005","11.1145","0.0007","11.1899","0.0008","77.156","0.006","68.195","0.006","78.35","0.005","1023.21","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Eu N O9 S3 -","- C12 H19 Eu N O9 S3 -","- C24 H38 Eu2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.056","0.041","","","0.0825","0.0884","","","","","","1.054","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215851","9.1742","0.0005","11.1153","0.0005","11.1714","0.0005","77.009","0.004","68.082","0.005","78.222","0.004","1020.66","0.09","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Gd N O9 S3 -","- C12 H23 Gd N O9 S3 -","- C24 H46 Gd2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0319","0.0288","","","0.0767","0.0793","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215852","8.2735","0.0004","8.6746","0.0005","13.565","0.0007","103.465","0.005","95.601","0.004","117.312","0.005","817.36","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 La O9 S3 -","- C9 H18 La O9 S3 -","- C18 H36 La2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0342","0.0309","","","0.0676","0.0706","","","","","","0.972","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215853","5.496","0.0009","12.831","0.002","17.881","0.003","90","","93.872","0.003","90","","1258.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N O4 -","- C12 H18 N O4 -","- C48 H72 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0991","0.0791","","","0.223","0.2435","","","","","","1.083","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215854","9.6944","0.0004","17.9372","0.0007","18.6161","0.0006","90","","91.427","0.003","90","","3236.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C132 H144 N12 O48 -","6","1.5","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1007","0.0781","","","0.225","0.254","","","","","","1.069","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215855","7.3345","0.0007","10.9381","0.0011","15.0352","0.0015","90","","92.804","0.002","90","","1204.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N2 O5 -","- C11 H13 N2 O5 -","- C44 H52 N8 O20 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0712","0.0597","","","0.1634","0.1768","","","","","","1.042","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215856","14.65","0.007","12.512","0.006","14.649","0.007","90","","93.13","","90","","2681","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0929","0.0573","","","0.1806","0.2065","","","","","","1.091","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215857","7.8574","0.0013","8.3711","0.0011","11.1437","0.0013","88.282","0.002","72.163","0.001","84.647","0.002","694.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N2 O7 -","- C12 H13 N2 O7 -","- C24 H26 N4 O14 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0692","0.0612","","","0.1773","0.1872","","","","","","1.071","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215858","7.5343","0.0014","8.9454","0.0017","12.885","0.003","99.769","0.004","103.689","0.004","108.465","0.003","771.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0967","0.0873","","","0.2292","0.2474","","","","","","1.053","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215859","7.4101","0.0006","10.2133","0.0009","15.0232","0.0016","90","","95.937","0.009","90","","1130.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N O4 -","- C12 H12 N O4 -","- C48 H48 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0641","0.0527","","","0.1532","0.1611","","","","","","1.047","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215860","9.3995","0.0012","17.904","0.002","11.3775","0.0013","90","","93.243","0.002","90","","1911.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N3 O3 -","- C19 H24 N3 O3 -","- C76 H96 N12 O12 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1075","0.0712","","","0.1963","0.2241","","","","","","0.996","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215861","8.4229","0.0005","11.1372","0.0006","17.7581","0.0011","79.11","0.003","79.382","0.004","84.189","0.003","1604.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.4 H56.8 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","1","0.5","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1128","0.0583","","","0.1542","0.1841","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7215862","8.265","0.001","11.174","0.001","16.397","0.002","91.485","0.005","91.295","0.005","94.105","0.005","1509.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.25 H25.5 Cl2.5 Co N6 O0.5 -","- C32.25 H24.5 Cl2.5 Co N6 O0.5 -","- C64.5 H49 Cl5 Co2 N12 O -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0565","0.0377","","","0.0949","0.1063","","","","","","1.055","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215863","13.7825","0.0009","14.8655","0.001","18.2258","0.0011","70.21","0.002","79.959","0.003","64.388","0.003","3166.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N6 O4 Zn -","- C36 H30 N6 O4 Zn -","- C144 H120 N24 O16 Zn4 -","4","2","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0725","0.0437","","","0.1052","0.1179","","","","","","1.03","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7215864","13.964","0.002","14.768","0.002","31.254","0.004","90","","102.32","0.009","90","","6296.8","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 F12 Fe N12 O2.5 P2 -","- C64 H48 F12 Fe N12 O2.5 P2 -","- C256 H192 F48 Fe4 N48 O10 P8 -","4","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1074","0.0571","","","0.1345","0.1599","","","","","","1.035","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215865","9.1075","0.001","33.618","0.004","11.0207","0.0012","90","","107.945","0.002","90","","3210.1","0.6","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.5 H57 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C65.5 H55 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C131 H110 Cl5 F6 Fe2 N24 O25 P -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1352","0.0823","","","0.2049","0.2357","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215866","12.4067","0.0009","12.7587","0.001","12.7752","0.001","119.538","0.001","118.76","0.0009","90.313","0.001","1462.2","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","1","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0833","0.0604","","","0.1291","0.1893","","","","","","1.166","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215867","10.1946","0.0014","11.962","0.0017","12.8764","0.0018","91.286","0.002","90.548","0.002","109.725","0.003","1477.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C54 H64 Cd N22 O14 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.072","0.0484","","","0.1039","0.1652","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215868","10.1883","0.0006","10.9694","0.0007","15.1248","0.0009","70.455","0.001","75.248","0.001","89.571","0.001","1534.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C52 H52 Cd2 Cl6 N20 O10 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0675","0.057","","","0.1575","0.1727","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215869","9.8188","0.0012","11.2793","0.0013","16.186","0.002","109.391","0.003","92.323","0.002","97.053","0.002","1671.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cd N10 O8 -","- C31 H38 Cd N10 O8 -","- C62 H76 Cd2 N20 O16 -","2","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0478","0.0394","","","0.096","0.1288","","","","","","1.188","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215870","11.7717","0.0003","18.0229","0.0004","13.5418","0.0005","90","","105.695","0.003","90","","2765.91","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 S4 -","- C28 H26 Cd N4 S4 -","- C112 H104 Cd4 N16 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0743","0.0454","","","0.0949","0.105","","","","","","1.026","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215871","11.41","0.003","18.178","0.003","13.445","0.002","90","","106.57","0.02","90","","2672.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cd N6 S4 -","- C26 H24 Cd N6 S4 -","- C104 H96 Cd4 N24 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0647","0.0404","","","0.0779","0.0859","","","","","","1.017","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215872","10.565","0.0005","9.85","0.0005","25.1585","0.0018","90","","90","","90","","2618.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 O2 S4 -","- C24 H22 Cd N4 O2 S4 -","- C96 H88 Cd4 N16 O8 S16 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0632","0.041","","","0.0817","0.0899","","","","","","1.077","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215873","11.4651","0.0009","12.8858","0.001","18.191","0.0011","90","","90","","90","","2687.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 S6 -","- C24 H22 Cd N4 S6 -","- C96 H88 Cd4 N16 S24 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0448","0.0346","","","0.0823","0.0868","","","","","","1.097","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215874","12.3203","0.0018","12.758","0.002","13.4692","0.0019","109.13","0.016","96.998","0.012","107.782","0.015","1845.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1033","0.0576","","","0.1452","0.1672","","","","","","0.998","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215875","12.2619","0.001","14.0531","0.0016","14.1351","0.0012","111.871","0.009","101.167","0.007","97.391","0.008","2163","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1264","0.0621","","","0.1534","0.1869","","","","","","0.954","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215876","6.4939","0.0017","7.0655","0.0011","7.978","0.002","91.64","0.016","101.564","0.009","110.577","0.014","333.78","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","sodium hydrogen D,L-tartrate monohydrate","","","- C4 H7 Na O7 -","- C4 H7 Na O7 -","- C8 H14 Na2 O14 -","2","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0751","0.0477","","","0.0999","0.1124","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215877","5.0645","0.0003","7.2545","0.0005","9.957","0.0006","72.369","0.004","85.46","0.004","85.837","0.003","347.09","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","caesium D,L-hydrogen tartrate","","","- C4 H5 Cs O6 -","- C4 H5 Cs O6 -","- C8 H10 Cs2 O12 -","2","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0302","0.0288","","","0.0696","0.0707","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215878","5.0731","0.0003","16.9391","0.0012","10.5094","0.0009","90","","98.777","0.002","90","","892.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium lithium D,L-tartrate dihydrate","","","- C4 H8 Cs Li O8 -","- C4 H8 Cs Li O8 -","- C16 H32 Cs4 Li4 O32 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0553","0.0394","","","0.0737","0.0782","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215879","7.2835","0.0005","7.2835","0.0005","13.2453","0.0007","90","","90","","120","","608.52","0.07","120","2","120","2","","","","","","","","5","P 31 2 1","P 31 2""","152","caesium rubidium D,L-tartrate","","","- C4 H4 Cs O6 Rb -","- C4 H4 Cs O6 Rb -","- C12 H12 Cs3 O18 Rb3 -","3","0.5","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0276","0.0259","","","0.0621","0.0627","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215880","5.5482","0.0002","12.026","0.0005","8.5725","0.0003","90","","104.639","0.0024","90","","553.41","0.04","298","2","298","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.044","0.0407","","","0.1048","0.1083","","","","","","1.074","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215881","5.4672","0.002","11.978","0.0029","8.5397","0.002","90","","105.327","0.0018","90","","539.3","0.3","100","2","100","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0413","0.0403","","","0.1035","0.1053","","","","","","1.068","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215882","6.692","0.001","8.886","0.001","10.412","0.001","105.22","0.01","99.04","0.01","107.5","0.01","550.72","0.13","100","2","100","2","","","","","","","Polymorph Screening","6","P 1","P 1","1","lamivudine zalcitabine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride 2',3'-dideoxycytidine hydrochloride co-crystal","","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","1","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0792","0.0656","","","0.1453","0.1558","","","","","","1.099","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215883","9.8","0.005","16.008","0.005","34.268","0.005","90","","90","","90","","5376","3","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C57 H56 Cl N5 O9 P2 Ru S -","- C57 H56 Cl N5 O9 P2 Ru S -","- C228 H224 Cl4 N20 O36 P8 Ru4 S4 -","4","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.1054","0.0692","","","0.1495","0.1655","","","","","","1.032","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215884","10.432","0.001","20.6","0.003","27.012","0.005","90","","98.2","0.05","90","","5745.5","1.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","ctd_cwbpy","","","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C229 H230 Cl4 N20 O42 P8 Ru4 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0767","0.0469","","","0.108","0.1184","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215885","15.0914","0.0002","16.7363","0.0003","13.0708","0.0003","90","","90","","90","","3301.35","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 N6 O13 Tb -","- C30 H35 N6 O13 Tb -","- C120 H140 N24 O52 Tb4 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0354","0.0297","","","0.0655","0.0666","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215886","15.1122","0.0002","16.7251","0.0002","13.2575","0.0002","90","","90","","90","","3350.87","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 Ce N6 O13 -","- C30 H35 Ce N6 O13 -","- C120 H140 Ce4 N24 O52 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0318","0.0289","","","0.0683","0.0692","","","","","","0.997","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215887","5.05836","0.00011","7.1121","0.0003","45.2723","0.0017","90","","90","","90","","1628.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (S)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.68239","","","0.0512","0.05","","","0.1338","0.1349","","","","","","1.096","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215888","5.3366","0.0004","6.9013","0.0006","44.227","0.004","90","","90","","90","","1628.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (R)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.1001","0.0833","","","0.2141","0.2249","","","","","","1.139","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215889","5.88418","0.00016","11.3844","0.0003","34.6863","0.0009","90","","90","","90","","2323.56","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-tryptophan monohydrate","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid monohydrate","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.0688","0.046","","","0.0901","0.0992","","","","","","1.033","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215890","9.4508","0.0004","5.9725","0.0002","18.9525","0.0007","90","","103.814","0.002","90","","1038.83","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen D-tyrosine","(+)-(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","powder diffraction","x-ray","0.823065","","","","","","","","","","8.9902","32.9759","","","","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215891","7.339","0.005","3.915","0.003","22.078","0.014","90","","99.08","0.009","90","","626.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 S2 -","- C14 H6 Br2 S2 -","- C28 H12 Br4 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0966","0.092","","","0.2529","0.2555","","","","","","1.187","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215892","11.8009","0.0018","5.8622","0.0009","7.9331","0.0012","90","","105.974","0.003","90","","527.61","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0298","0.0263","","","0.0717","0.0745","","","","","","1.087","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215893","9.615","0.0003","21.122","0.0009","13.152","0.0004","90","","91.126","0.003","90","","2670.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cd3 N14 O12 -","- C40 H52 Cd3 N14 O12 -","- C80 H104 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0569","0.0482","","","0.1681","0.1783","","","","","","1.005","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215894","9.628","0.0004","21.337","0.0007","13.208","0.0004","90","","91.953","0.003","90","","2711.78","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cd3 N14 O12 -","- C44 H34 Cd3 N14 O12 -","- C88 H68 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0445","0.0356","","","0.0792","0.085","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215895","9.638","0.0012","15.443","0.0015","18.717","0.0016","90","","90","","90","","2785.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cd3 N18 O12 -","- C44 H56 Cd3 N18 O12 -","- C88 H112 Cd6 N36 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0624","0.0427","","","0.0853","0.0953","","","","","","1.007","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215896","10.974","0.0005","22.669","0.0013","14.106","0.0007","90","","96.637","0.004","90","","3485.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cd3 N32 O7 -","- C48 H72 Cd3 N32 O7 -","- C96 H144 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.118","0.0599","","","0.1079","0.1343","","","","","","1.027","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215897","11.029","0.0004","22.762","0.0007","14.48","0.0004","90","","97.147","0.003","90","","3606.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd3 N32 O7 -","- C54 H70 Cd3 N32 O7 -","- C108 H140 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0808","0.0457","","","0.0877","0.1053","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215898","11.054","0.0005","22.723","0.001","14.666","0.0007","90","","96.8","0.004","90","","3657.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cd3 N38 O6 -","- C54 H76 Cd3 N38 O6 -","- C108 H152 Cd6 N76 O12 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0506","0.0375","","","0.08","0.0877","","","","","","1.041","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215899","26.674","0.002","26.674","0.002","18.4694","0.002","90","","90","","120","","11380.5","1.7","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H7 Co N5 O2 -","- C10 H7 Co N5 O2 -","- C240 H168 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.163","0.0992","","","0.2938","0.33","","","","","","0.884","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215900","26.113","0.002","26.113","0.002","19.6459","0.0014","90","","90","","120","","11601.6","1.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Cl2 Co N5 O2 -","- C10 H5 Cl2 Co N5 O2 -","- C240 H120 Cl48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1765","0.0997","","","0.2862","0.334","","","","","","0.979","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215901","25.9949","0.0012","25.9949","0.0012","19.7757","0.0011","90","","90","","120","","11572.8","1","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Br2 Co N5 O2 -","- C10 H5 Br2 Co N5 O2 -","- C240 H120 Br48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1975","0.0995","","","0.2545","0.3115","","","","","","0.702","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215902","16.963","0.003","13.596","0.002","12.654","0.002","90","","106.632","0.002","90","","2796.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F15 N4 O3 -","- C27 H15 F15 N4 O3 -","- C108 H60 F60 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0599","0.0359","","","0.0846","0.0973","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215903","10.891","0.0017","17.196","0.003","14.431","0.002","90","","103.322","0.004","90","","2629.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 F12 N4 O3 -","- C27 H18 F12 N4 O3 -","- C108 H72 F48 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0533","0.0391","","","0.1005","0.1123","","","","","","1.012","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215904","11.8227","0.0009","13.8754","0.001","15.4686","0.0011","86.231","0.001","76.249","0.001","86.874","0.001","2457.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl3 F16 N5 O3 -","- C44 H52 Cl3 F16 N5 O3 -","- C88 H104 Cl6 F32 N10 O6 -","2","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0612","0.039","","","0.0866","0.0974","","","","","","1.025","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215905","14.4149","0.0008","16.8287","0.001","22.6106","0.0012","90","","101.373","0.002","90","","5377.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl4 F15 N5 O3 -","- C44 H52 Cl4 F15 N5 O3 -","- C176 H208 Cl16 F60 N20 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.1168","0.0987","","","0.2871","0.3073","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215906","8.053","0.0003","9.722","0.0004","16.051","0.0004","90","","96.788","0.002","90","","1247.84","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O6 Pd S2 -","- C22 H16 N6 O6 Pd S2 -","- C44 H32 N12 O12 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0772","0.0397","","","0.1023","0.1269","","","","","","1.041","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215907","8.3977","0.0014","11.2186","0.0018","12.207","0.002","90","","108.288","0.005","90","","1091.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 N O3 Pd0.5 S2 -","- C9 H10 N O3 Pd0.5 S2 -","- C36 H40 N4 O12 Pd2 S8 -","4","1","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0606","0.0567","","","0.1692","0.1752","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215908","22.245","0.002","13.6954","0.0014","7.5899","0.0008","90","","90","","90","","2312.3","0.4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H22 N2 O8 Pd S4 -","- C18 H22 N2 O8 Pd S4 -","- C72 H88 N8 O32 Pd4 S16 -","4","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0418","0.0396","","","0.0993","0.1004","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215909","12.03223","0.00012","14.00604","0.00015","9.78155","0.0001","90","","110.872","0.0013","90","","1540.25","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O8 Pd S2 -","- C26 H20 N6 O8 Pd S2 -","- C52 H40 N12 O16 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","3.7832","2.6442","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215910","9.67234","0.0001","14.37138","0.00015","8.18547","0.0001","90","","92.7327","0.0001","90","","1136.53","0.02","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 N6 O6 Pd -","- C20 H20 N6 O6 Pd -","- C40 H40 N12 O12 Pd2 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","4.3496","2.5756","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215911","16.24","0.0007","13.6625","0.0005","14.8867","0.0007","90","","111.728","0.005","90","","3068.4","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0484","0.0448","","","0.1139","0.1162","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215912","16.3171","0.0009","13.8577","0.0005","14.8466","0.0009","90","","111.744","0.006","90","","3118.2","0.3","225","2","225","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0586","0.0528","","","0.1419","0.1476","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215913","16.622","0.002","13.9014","0.001","15.434","0.003","90","","112.586","0.017","90","","3292.8","0.9","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0828","0.0682","","","0.1835","0.1961","","","","","","1.138","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215914","16.4515","0.0008","14.2025","0.0007","14.2637","0.0007","90","","112.084","0.001","90","","3088.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.052","0.0434","","","0.0971","0.1023","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215915","16.7493","0.0016","14.8047","0.0014","14.5137","0.0012","90","","113.493","0.003","90","","3300.6","0.5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0972","0.066","","","0.1731","0.1921","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215916","11.5168","0.0011","10.1374","0.0008","9.6121","0.0009","90","","103.266","0.003","90","","1092.27","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Fe N8 Ni -","- C20 H20 Fe N8 Ni -","- C40 H40 Fe2 N16 Ni2 -","2","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0701","0.0396","","","0.0846","0.0989","","","","","","0.982","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215917","15.7239","0.0019","16.158","0.002","40.866","0.01","90","","90","","90","","10383","3","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15 H11 Co N2 O6 S2 -","- C15 H11 Co N2 O6 S2 -","- C240 H176 Co16 N32 O96 S32 -","16","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0848","0.0846","","","0.2473","0.2475","","","","","","1.117","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215918","8.315","0.002","10.205","0.003","20.279","0.005","90","","113.12","0.012","90","","1582.6","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cu N4 O10 S4 -","- C30 H18 Cu N4 O10 S4 -","- C60 H36 Cu2 N8 O20 S8 -","2","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0582","0.0567","","","0.1696","0.1713","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215919","15.8979","0.0012","15.7892","0.0012","20.3288","0.0016","90","","106.324","0.008","90","","4897.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N4 Ni2 O25 S4 -","- C34 H18 N4 Ni2 O25 S4 -","- C136 H72 N16 Ni8 O100 S16 -","4","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.1013","0.0931","","","0.2556","0.2606","","","","","","1.162","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215920","6.0904","0.0015","10.3943","0.0015","13.5423","0.0019","73.19","0.05","79.7","0.05","78.31","0.06","797","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Cytosine tribromoacetate","","","- C10 Br3 N6 O4 -","- C10 Br3 N6 O4 -","- C20 Br6 N12 O8 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0841","0.0703","","","0.1747","0.2127","","","","","","1.189","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215921","12.8936","0.0011","6.6821","0.0005","17.1763","0.0013","90","","108.031","0.002","90","","1407.17","0.19","296","2","296","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C10 N3 O7.5 S -","- C10 N3 O7.5 S -","- C40 N12 O30 S4 -","4","2","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.1282","0.1174","","","0.3467","0.3622","","","","","","1.687","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215922","6.7021","0.0015","9.134","0.002","37.734","0.01","90","","90","","90","","2310","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0672","0.0588","","","0.1465","0.1631","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215923","6.944","0.0007","28.891","0.003","6.9559","0.0008","90","","95.357","0.004","90","","1389.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O10 S2 -","- C23 H34 N6 O10 S2 -","- C46 H68 N12 O20 S4 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0452","0.0412","","","0.1043","0.1176","","","","","","1.105","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215924","8.3066","0.0004","9.3439","0.0004","11.7372","0.0005","79.248","0.002","70.499","0.002","75.926","0.002","827.41","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Pr_mal_fumarate","","","- C10 H14 O15 Pr2 -","- C10 H14 O15 Pr2 -","- C20 H28 O30 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0315","0.0276","","","0.0763","0.0792","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215925","8.2557","0.0005","9.3918","0.0006","11.6162","0.0008","80.241","0.006","70.487","0.006","75.339","0.005","817.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pr_mal_fumarate_ht","","","- C10 H9 O13 Pr2 -","- C10 H9 O13 Pr2 -","- C20 H18 O26 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0365","0.0314","","","0.078","0.0823","","","","","","1.028","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215926","8.2494","0.0004","9.311","0.0004","11.6959","0.0006","79.306","0.004","70.324","0.004","76.048","0.004","815.58","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nd_mal_fumarate","","","- C10 H10 Nd2 O15 -","- C10 H10 Nd2 O15 -","- C20 H20 Nd4 O30 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0278","0.0243","","","0.0578","0.06","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215927","7.341","0.0005","7.4478","0.0004","24.44","0.003","96.237","0.007","90.714","0.007","103.836","0.005","1288.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-nitrobenzoic acid","","","- C27 H24 N4 O9 -","- C27 H24 N4 O9 -","- C54 H48 N8 O18 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.154","0.0569","","","0.1024","0.1421","","","","","","0.972","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215928","15.3106","0.0011","11.2938","0.0007","14.6971","0.0007","90","","99.163","0.006","90","","2508.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O5 -","- C29 H24 N4 O5 -","- C116 H96 N16 O20 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.71073","MoKα","","0.1305","0.0551","","","0.1218","0.1584","","","","","","0.997","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215929","6.2766","0.0009","7.8957","0.0013","17.992","0.003","100.669","0.013","93.653","0.012","95.958","0.013","868.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-hydroxybenzoic acid","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1378","0.0728","","","0.1627","0.2071","","","","","","0.995","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215930","7.3004","0.0009","10.1353","0.0013","20.884","0.002","99.943","0.009","90.989","0.009","108.782","0.012","1436.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.alpha-cyanocoumaric acid","","","- C33 H28 N4 O7 -","- C33 H28 N4 O7 -","- C66 H56 N8 O14 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1791","0.1181","","","0.3032","0.3593","","","","","","1.061","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215931","6.4902","0.0017","7.288","0.002","16.056","0.003","88.34","0.02","78.438","0.019","73.56","0.03","713.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1789","0.0616","","","0.1182","0.1693","","","","","","0.972","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215932","13.3286","0.0004","10.7445","0.0003","12.3344","0.0004","90","","102.018","0.003","90","","1727.68","0.09","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.037","0.0338","","","0.0851","0.0883","","","","","","1.035","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215933","6.8052","0.0004","9.9004","0.0007","12.1414","0.001","111.542","0.007","93.418","0.006","98.055","0.006","747.87","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid.H2O","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0458","0.0379","","","0.0935","0.1003","","","","","","1.061","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215934","7.6894","0.0005","19.34","0.001","10.691","0.0006","90","","101.843","0.005","90","","1556.05","0.16","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BPO.p-coumaric acid","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0841","0.0462","","","0.0945","0.1104","","","","","","1.036","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215935","22.305","0.002","12.0112","0.0012","15.3336","0.0015","90","","100.953","0.002","90","","4033.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0663","0.0514","","","0.127","0.136","","","","","","1.039","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215936","11.726","0.005","15.488","0.007","22.317","0.01","90","","90","","90","","4053","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0631","0.0451","","","0.1141","0.1268","","","","","","1.05","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215937","11.939","0.002","15.261","0.003","21.322","0.004","90","","90","","90","","3884.9","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","fluorodimethyl sulfonylhydrazone","fluorodimethyl sulfonylhydrazone","","- C21 H19 F N2 O2 S -","- C21 H19 F N2 O2 S -","- C168 H152 F8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.055","0.0428","","","0.1138","0.1233","","","","","","1.048","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215938","11.6335","0.0016","11.6089","0.0016","15.843","0.002","90","","96.67","0.002","90","","2125.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","methyldiiodo sulfonylhydrazone","methyldiiodo sulfonylhydrazone","","- C20 H16 I2 N2 O2 S -","- C20 H16 I2 N2 O2 S -","- C80 H64 I8 N8 O8 S4 -","4","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0447","0.039","","","0.1003","0.1047","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215939","23.334","0.008","11.594","0.004","15.6","0.005","90","","103.035","0.005","90","","4112","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tribromo sulfonylhydrazone","tribromo sulfonylhydrazone","","- C19 H13 Br3 N2 O2 S -","- C19 H13 Br3 N2 O2 S -","- C152 H104 Br24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0793","0.0399","","","0.0836","0.1011","","","","","","1.003","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215940","22.655","0.004","11.6004","0.0018","15.428","0.003","90","","101.926","0.003","90","","3967.1","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trichloro sulfonylhydrazone","trichloro sulfonylhydrazone","","- C19 H13 Cl3 N2 O2 S -","- C19 H13 Cl3 N2 O2 S -","- C152 H104 Cl24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.092","0.0516","","","0.1124","0.1297","","","","","","1.016","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215941","9.236","0.002","8.784","0.002","29.629","0.007","90","","96.361","0.008","90","","2389","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl6 Cu2 I2 N4 O8 -","- C36 H24 Cu2 I2 N4 O8 -","- C72 H48 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1812","0.1241","","","0.2452","0.2529","","","","","","2.005","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215942","9.608","0.002","8.3895","0.0018","30.122","0.006","90","","97.841","0.006","90","","2405.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Cu2 I2 N6 O12 -","- C48 H34 Cu2 I2 N6 O12 -","- C96 H68 Cu4 I4 N12 O24 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.103","0.0985","","","0.2364","0.2384","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215943","9.47","0.003","8.587","0.003","30.417","0.009","90","","100.186","0.012","90","","2434.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cu2 I2 N6 O8 -","- C50 H34 Cu2 I2 N6 O8 -","- C100 H68 Cu4 I4 N12 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1764","0.1335","","","0.2975","0.3166","","","","","","1.011","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215944","9.6255","0.0019","8.448","0.0017","29.784","0.006","90","","94.921","0.007","90","","2413","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C96 H68 Br4 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1002","0.0672","","","0.2009","0.2177","","","","","","1.397","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215945","17.615","0.003","15.56","0.002","19.211","0.003","90","","115.087","0.004","90","","4768.8","1.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl3 Cu F12 N4 O10 P2 -","- C37 H24 Cl3 Cu F12 N4 O10 P2 -","- C148 H96 Cl12 Cu4 F48 N16 O40 P8 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1104","0.0806","","","0.2175","0.2448","","","","","","0.977","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215946","16.835","0.008","9.707","0.005","39.767","0.019","90","","90.522","0.01","90","","6498","6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H106 Cl6 Cu3 N12 O65 -","- C108 H72 Cu3 N12 O27 -","- C216 H144 Cu6 N24 O54 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.126","0.0956","","","0.2194","0.234","","","","","","1.183","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215947","11.0728","0.0004","8.7248","0.0004","14.6199","0.0007","90","","109.072","0.002","90","","1334.87","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Theophylline, Resorcinol cocrystal monohydrate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C52 H64 N16 O20 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0628","0.0291","","","0.0849","0.1215","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215948","6.7236","0.0003","23.2123","0.0009","9.2933","0.0003","90","","98.822","0.002","90","","1433.25","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, phluroglucinol cocrystal monohydrate","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1262","0.0617","","","0.1474","0.1872","","","","","","0.967","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215949","9.8095","0.0015","13.369","0.002","23.858","0.004","90","","90","","90","","3128.8","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Theophylline Orcinol cocrystal dihydrate","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C112 H160 N32 O48 -","8","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0491","0.0381","","","0.1076","0.133","","","","","","1.152","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215950","14.8098","0.0005","6.6905","0.0002","15.8509","0.0006","90","","94.469","0.002","90","","1565.81","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, 2,6-Dihydroxybenzoic acid salt hydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1017","0.0575","","","0.167","0.2069","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215951","7.3213","0.0002","8.0238","0.0002","12.6902","0.0002","81.646","0.001","85.601","0.001","82.156","0.001","729.44","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline, 3,5-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0688","0.0486","","","0.1381","0.1646","","","","","","1.073","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215952","8.094","0.0005","8.5956","0.0005","11.5891","0.0005","103.168","0.003","105.023","0.005","105.32","0.004","712.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline 3,4-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.14","0.0753","","","0.2037","0.2776","","","","","","1.082","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215953","7.2792","0.0007","8.7135","0.0009","24.272","0.002","90","","96.128","0.004","90","","1530.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline Cinnamic acid cocrystal","","- C16 H16 N4 O4 -","- C16 H16 N4 O4 -","- C64 H64 N16 O16 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1228","0.0777","","","0.2043","0.2414","","","","","","0.996","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215954","8.5707","0.0011","9.8985","0.0012","14.2812","0.0017","104.986","0.005","102.291","0.005","91.286","0.005","1139.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N4 O9 Zn2 -","- C16 H16 N4 O9 Zn2 -","- C32 H32 N8 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0571","0.0484","","","0.1722","0.1803","","","","","","1.116","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215955","5.2333","0.0001","9.158","0.0003","14.8415","0.0004","84.191","0.001","85.964","0.002","79.848","0.001","695.57","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O6 Zn -","- C10 H12 N2 O6 Zn -","- C20 H24 N4 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0435","0.0415","","","0.1361","0.1373","","","","","","1.22","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215956","10.9188","0.0004","11.5059","0.0004","13.0695","0.0004","109.415","0.002","95.197","0.002","97.024","0.002","1521.76","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N8 O9 Zn2 -","- C28 H18 N8 O9 Zn2 -","- C56 H36 N16 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0535","0.0433","","","0.1143","0.1209","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215957","7.7589","0.001","9.2634","0.0012","17.83","0.002","90.403","0.008","90.275","0.009","97.322","0.009","1271","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C56 H54 Cl4 N6 O8 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1542","0.0957","","","0.2379","0.2641","","","","","","1.131","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215958","10.4207","0.0009","10.6061","0.0009","11.2328","0.0009","67.167","0.004","73.749","0.004","81.109","0.005","1097","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Felodipine : 4,4'-bipyridine (2:1)","","","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","1","0.5","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1065","0.0719","","","0.1928","0.2191","","","","","","1.059","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215959","36.197","0.003","36.436","0.003","8.0228","0.0006","90","","90","","90","","10581.1","1.5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C448 H432 Cl32 N48 O64 -","16","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.067","0.046","","","0.0992","0.1077","","","","","","1.049","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215960","8.863","0.001","23.742","0.002","8.907","0.001","90","","116.86","0.01","90","","1672.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl2 Mg N4 O8 -","- C22 H48 Cl2 Mg N4 O8 -","- C44 H96 Cl4 Mg2 N8 O16 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0695","0.0528","","","0.1382","0.1503","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215961","5.9825","0.0011","9.0582","0.0017","34.096","0.006","90","","90","","90","","1847.7","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Ca Cl2 N2 O4 -","- C11 H24 Ca Cl2 N2 O4 -","- C44 H96 Ca4 Cl8 N8 O16 -","4","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","x-ray","0.71073","MoKα","","0.0443","0.0377","","","0.0861","0.0886","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215962","8.85","0.002","8.85","0.002","34.827","0.005","90","","90","","120","","2362.3","0.8","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C20 H36 Cl2 F4 Mg N4 O8 -","- C20 H36 Cl2 F4 Mg N4 O8 -","- C60 H108 Cl6 F12 Mg3 N12 O24 -","3","0.5","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0827","0.0498","","","0.1276","0.147","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215963","5.9482","0.0008","9.0116","0.0008","17.114","0.002","90","","99.35","0.012","90","","905.17","0.18","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","co-crystals","","","- C10 H18 Ca Cl2 F2 N2 O4 -","- C10 H18 Ca Cl2 F2 N2 O4 -","- C20 H36 Ca2 Cl4 F4 N4 O8 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","0.71073","MoKα","","0.1012","0.0795","","","0.1603","0.1704","","","","","","1.124","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215964","11.0697","0.0006","22.2083","0.0011","19.5333","0.0011","90","","90","","90","","4802.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H45 N11 O13 Zn2 -","- C41 H45 N11 O13 Zn2 -","- C164 H180 N44 O52 Zn8 -","4","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0956","0.0661","","","0.1738","0.1906","","","","","","1.063","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215965","22.219","0.0013","5.5243","0.0003","18.4719","0.001","90","","115.962","0.002","90","","2038.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C72 H88 N8 O32 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0231","0.0225","","","0.0576","0.0581","","","","","","1.07","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215966","16","0.005","5.452","0.005","22.025","0.005","90","0.005","107.704","0.005","90","0.005","1830.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.023","0.0227","","","0.06","0.0602","","","","","","1.089","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215967","10.7575","0.0004","15.318","0.0006","29.3906","0.0013","81.112","0.001","87.711","0.001","84.536","0.001","4761.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H86 N20 O18 Zn4 -","- C94 H86 N20 O18 Zn4 -","- C188 H172 N40 O36 Zn8 -","2","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.1001","0.0525","","","0.1147","0.1337","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215968","8.5561","0.0017","8.656","0.0018","24.424","0.005","93.654","0.003","95.997","0.003","91.067","0.004","1794.7","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C74 H88 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","1","1","","Ahmad, Musheer; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","A novel 3D 10-fold interpenetrated homochiral coordination polymer: large spontaneous polarization, dielectric loss and emission studies","CrystEngComm","2014","16","22","4766","","10.1039/c3ce42628a","","","0.71073","MoKα","","0.0762","0.0614","","","0.1382","0.1495","","","","","","1.024","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215969","15.0954","0.0006","11.5689","0.0004","10.6232","0.0004","90","","110.192","0.004","90","","1741.19","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Co2 N2 O8 P2 -","- C12 H26 Co2 N2 O8 P2 -","- C48 H104 Co8 N8 O32 P8 -","4","1","","Patzschke, Christin; Forsyth, Craig M.; Batten, Stuart R.; Chaffee, Alan L.","Formation of a non-porous cobalt-phosphonate framework by small pH change in the preparation of the microporous STA-16(Co)","CrystEngComm","2014","16","28","6296","","10.1039/c4ce00509k","","","0.71073","MoKα","","0.0405","0.0356","","","0.0853","0.0892","","","","","","1.037","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215970","12.9496","0.0016","12.9821","0.0016","20.789","0.003","84.935","0.002","82.643","0.002","77.463","0.001","3376.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1398","0.0982","","","0.2317","0.2735","","","","","","1.044","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215971","12.3562","0.0003","12.5049","0.0003","19.3386","0.0004","89.472","0.001","80.7","0.001","79.3","0.001","2896.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","1.54178","CuKα","","0.0626","0.0584","","","0.1619","0.1659","","","","","","1.078","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215972","12.3466","0.0017","12.604","0.0017","18.908","0.003","89.008","0.002","81.577","0.002","78.725","0.002","2854.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1416","0.0674","","","0.1544","0.1929","","","","","","0.98","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215973","8.8478","0.0004","13.3523","0.0006","14.1584","0.0006","67.987","0.001","77.114","0.001","74.612","0.001","1480.77","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole plymorph I","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","2","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0399","0.0344","","","0.1132","0.1223","","","","","","0.873","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215974","11.351","0.003","8.577","0.002","16.684","0.003","90","","107.483","0.005","90","","1549.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole plymorph II","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0798","0.0428","","","0.117","0.1495","","","","","","0.895","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215975","16.19","0.006","5.146","0.0014","19.449","0.007","90","","94.028","0.017","90","","1616.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole mono hydrate","","","- C13 H15 N3 O6 S2 -","- C13 H15 N3 O6 S2 -","- C52 H60 N12 O24 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0503","0.0391","","","0.1016","0.1123","","","","","","1.018","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215976","8.5229","0.0004","14.5887","0.0007","15.2327","0.0007","64.777","0.001","78.161","0.001","82.086","0.001","1674.27","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole acetone solvate","","","- C29 H32 N6 O11 S4 -","- C29 H32 N6 O11 S4 -","- C58 H64 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0781","0.0718","","","0.1465","0.151","","","","","","1.044","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215977","8.7032","0.0002","14.5604","0.0005","15.5676","0.0005","64.602","0.002","77.24","0.002","83.635","0.002","1737.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole tetrahydrofuran solvate","","","- C30 H34 N6 O11 S4 -","- C30 H34 N6 O11 S4 -","- C60 H68 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0753","0.044","","","0.125","0.1522","","","","","","0.882","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215978","19.7256","0.0011","7.8544","0.0004","6.5083","0.0004","90","","90","","90","","1008.35","0.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H9 Ag Cu2 N2 S4 Sn -","- C Ag Cu2 N S4 Sn -","- C4 Ag4 Cu8 N4 S16 Sn4 -","4","0.5","","Xiong, weiwei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, qichun","[enH][Cu2AgSnS4]: A Quaternary Layered Sulfide Based on Cu-Ag-Sn-S Composition","CrystEngComm","2014","","","","","10.1039/c4ce00740a","","","0.71073","MoKα","","0.0437","0.0369","","","0.1164","0.1231","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215979","31.788","0.002","18.353","0.002","34.619","0.004","90","","107.82","","90","","19228","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 1a","","","- C179 H165 Cl6 N33 O22 -","- C179 H141 Cl6 N33 O22 -","- C716 H564 Cl24 N132 O88 -","4","1","","Chaudhari, Abhijeet K.; Sharma, Amitosh; Mukherjee, Soumya; Joarder, Biplab; Ghosh, Sujit K.","Capsule voided nanospace confinement in a π-stacked supramolecular organic solid","CrystEngComm","2014","16","22","4691","","10.1039/c3ce42509f","","","0.71073","MoKα","","0.2711","0.1279","","","0.3014","0.3864","","","","","","0.998","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215980","15.93","0.006","13.588","0.005","6.663","0.002","90","","97.392","0.005","90","","1430.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Pr -","- C9 H15 N O11 Pr -","- C36 H60 N4 O44 Pr4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.064","0.0504","","","0.1322","0.1435","","","","","","1.062","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215981","15.9131","0.0014","13.5396","0.0011","6.6475","0.0006","90","","97.662","0.001","90","","1419.5","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Eu N O11 -","- C9 H15 Eu N O11 -","- C36 H60 Eu4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0387","0.031","","","0.0764","0.0812","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215982","15.8734","0.0012","13.4525","0.001","6.6309","0.0005","90","","97.862","0.001","90","","1402.63","0.18","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Tb -","- C9 H15 N O11 Tb -","- C36 H60 N4 O44 Tb4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0239","0.0227","","","0.0618","0.0626","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215983","15.8585","0.0014","13.419","0.0011","6.6158","0.0006","90","","97.925","0.001","90","","1394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Er N O11 -","- C9 H15 Er N O11 -","- C36 H60 Er4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0462","0.0374","","","0.1002","0.1085","","","","","","1.0237","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215984","5.3448","0.0006","8.9517","0.001","15.6623","0.0018","104.912","0.001","93.036","0.001","97.157","0.001","715.65","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N O10 Yb -","- C9 H13 N O10 Yb -","- C18 H26 N2 O20 Yb2 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0261","0.0245","","","0.0607","0.0616","","","","","","1.068","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215985","5.34","0.0008","8.953","0.0014","15.655","0.002","104.76","0.002","93.015","0.002","97.273","0.002","715.11","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Lu N O10 -","- C9 H13 Lu N O10 -","- C18 H26 Lu2 N2 O20 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0284","0.0271","","","0.0775","0.0783","","","","","","1.056","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215986","8.1481","0.0003","10.7263","0.0003","13.4085","0.0004","86.933","0.002","84.68","0.003","81.508","0.003","1153.1","0.06","120","","120","","","","","","","","see text","4","P -1","-P 1","2","","","","- C27 H30 N2 O2 -","- C27 H30 N2 O2 -","- C54 H60 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.0523","0.0416","","","0.1026","0.1094","","","","","","1.059","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215987","8.978","0.003","10.677","0.003","10.877","0.003","99.677","0.009","95.437","0.009","103.089","0.008","991.5","0.5","296","2","296","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C46 H44 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.1079","0.0537","","","0.1352","0.159","","","","","","0.994","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215988","7.4241","0.0006","7.4241","0.0006","8.7784","0.0008","90","","90","","120","","419.02","0.06","295","2","295","2","","","290000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0323","0.0319","","","0.0753","0.0757","","","","","","1.171","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215989","7.4121","0.0004","7.4121","0.0004","8.65","0.005","90","","90","","120","","411.6","0.2","295","2","295","2","","","490000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0256","0.0235","","","0.0621","0.0635","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215990","7.4031","0.0004","7.4031","0.0004","8.5486","0.0005","90","","90","","120","","405.74","0.04","295","2","295","2","","","670000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0273","0.0269","","","0.0706","0.0707","","","","","","1.205","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215991","7.4011","0.0005","7.4011","0.0005","8.3856","0.0016","90","","90","","120","","397.79","0.08","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0216","0.0209","","","0.0516","0.0522","","","","","","1.175","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215992","7.3983","0.001","7.3983","0.001","8.346","0.002","90","","90","","120","","395.62","0.12","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0373","0.0362","","","0.0923","0.0949","","","","","","1.087","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215993","7.3952","0.001","7.3952","0.001","8.2763","0.0013","90","","90","","120","","391.98","0.1","295","2","295","2","","","1030000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0454","0.0397","","","0.0815","0.0842","","","","","","1.197","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215994","7.3751","0.0006","7.3751","0.0006","8.127","0.0007","90","","90","","120","","382.82","0.06","295","2","295","2","","","1380000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0571","0.0563","","","0.1317","0.1323","","","","","","1.312","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215995","7.3558","0.0004","7.3558","0.0004","7.989","0.002","90","","90","","120","","374.35","0.1","295","2","295","2","","","1870000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0309","0.0307","","","0.0837","0.0841","","","","","","1.214","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215996","7.5595","0.0006","7.5595","0.0006","8.7694","0.001","90","","90","","120","","434","0.07","295","2","295","2","","","380000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0625","0.0562","","","0.1191","0.1295","","","","","","1.29","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215997","7.5534","0.0004","7.5534","0.0004","8.6935","0.0017","90","","90","","120","","429.55","0.09","295","2","295","2","","","570000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0302","0.0299","","","0.0794","0.0796","","","","","","1.308","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215998","7.531","0.0004","7.531","0.0004","8.4767","0.0018","90","","90","","120","","416.35","0.09","295","2","295","2","","","1030000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0291","0.0292","","","0.0795","0.0794","","","","","","1.32","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215999","7.5123","0.0004","7.5123","0.0004","8.3522","0.0007","90","","90","","120","","408.2","0.05","295","2","295","2","","","1350000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.057","0.0563","","","0.1513","0.1526","","","","","","1.231","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216000","7.4965","0.0003","7.4965","0.0003","8.2508","0.0006","90","","90","","120","","401.55","0.04","295","2","295","2","","","1730000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0461","0.0457","","","0.1161","0.1164","","","","","","1.256","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216001","9.4258","0.0019","10.052","0.002","15.309","0.003","97.47","0.03","105.32","0.03","103.94","0.03","1328.4","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0438","0.0395","","","0.1114","0.1154","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216002","9.907","0.002","10.421","0.002","16.142","0.003","81.18","0.03","75.18","0.03","81.78","0.03","1582.6","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","1","0.5","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.067","0.0513","","","0.1301","0.141","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216003","10.791","0.002","17.717","0.003","9.7094","0.0019","90","","92.49","0.03","90","","1854.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O6 Zn -","- C20 H15 N2 O6 Zn -","- C80 H60 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0646","0.057","","","0.1657","0.1741","","","","","","1.077","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216004","16.096","0.003","7.6958","0.0015","16.148","0.003","90","","99.06","0.03","90","","1975.3","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N2 O6 Zn -","- C20 H21 N2 O6 Zn -","- C80 H84 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0915","0.0791","","","0.227","0.2498","","","","","","1.038","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216005","18.621","0.004","9.7191","0.0019","17.267","0.004","90","","98.76","0.03","90","","3088.5","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O7 Zn2 -","- C33 H28 N2 O7 Zn2 -","- C132 H112 N8 O28 Zn8 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.1085","0.0792","","","0.21","0.2447","","","","","","0.991","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216006","22.625","0.002","14.9276","0.0013","30.645","0.002","90","","128.963","0.004","90","","8047.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Co N4 O10 -","- C40 H38 Co N4 O10 -","- C320 H304 Co8 N32 O80 -","8","2","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.1328","0.0644","","","0.1449","0.1639","","","","","","1.011","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216007","9.474","0.0008","11.2487","0.001","16.5633","0.0015","84.093","0.001","89.422","0.001","83.414","0.002","1744.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N4 O6 -","- C34 H26 Cd N4 O6 -","- C68 H52 Cd2 N8 O12 -","2","1","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0873","0.0823","","","0.2205","0.2259","","","","","","1.061","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216008","7.2985","0.0004","16.4843","0.001","34.438","0.002","90","0.001","90","0.002","90","0.002","4143.3","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H41 N5 Ni O8 -","- C45 H41 N5 Ni O8 -","- C180 H164 N20 Ni4 O32 -","4","0.5","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0791","0.0548","","","0.1198","0.1372","","","","","","1.045","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216009","10.8266","0.0007","12.4225","0.0007","16.902","0.001","107.581","0.001","91.947","0.001","99.378","0.001","2129.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N6 Ni O10 -","- C46 H48 N6 Ni O10 -","- C92 H96 N12 Ni2 O20 -","2","1","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0531","0.0438","","","0.1212","0.1375","","","","","","1.052","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216010","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Photoreversible solid state negative photochromism of N-(3,5-dichlorosalicylidene)-1-aminopyrene","CrystEngComm","2014","","","","","10.1039/c4ce00589a","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216036","26.3136","0.0001","26.3136","0.0001","26.3136","0.0001","90","","90","","90","","18219.7","0.12","153","2","153","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","UHM-31","","","- C34 H37 Cu3 F2 O19 -","- C18 H4.02 Cu3 F1.98 O15 -","- C288 H64.32 Cu48 F31.68 O240 -","16","0.0833333","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0668","0.0599","","","0.2127","0.2212","","","","","","1.146","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216037","10.8304","0.0001","11.9985","0.0001","15.496","0.0002","90","","95.227","0.001","90","","2005.31","0.04","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UHM-32","","","- C17 H21 Cu2 F N2 O9 -","- C17 H21 Cu2 F N2 O9 -","- C68 H84 Cu8 F4 N8 O36 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0488","0.0461","","","0.1144","0.1168","","","","","","1.026","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216038","11.8906","0.0001","11.6262","0.0001","14.501","0.0001","90","","91.671","0.001","90","","2003.8","0.03","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","UHM-33","","","- C17 H21 Cu F N2 O8 -","- C17 H21 Cu F N2 O8 -","- C68 H84 Cu4 F4 N8 O32 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0436","0.043","","","0.1095","0.1099","","","","","","1.052","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216039","12.6883","0.0011","37.728","0.003","29.351","0.003","90","","90.03","0.001","90","","14050","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H114 N42 Ni4 O8 -","- C152 H114 N42 Ni4 O8 -","- C608 H456 N168 Ni16 O32 -","4","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.1339","0.0752","","","0.1759","0.2003","","","","","","1.037","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216040","12.2568","0.0002","15.712","0.0003","20.7876","0.0004","90","","90","","90","","4003.25","0.13","200","2","200","2","","","","","","","","6","P n a b","-P 2bc 2n","60","","","","- C42 H34 Cl2 N12 Ni O2 -","- C42 H34 Cl2 N12 Ni O2 -","- C168 H136 Cl8 N48 Ni4 O8 -","4","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1205","0.1306","","","","","","1.134","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216041","18.825","0.004","8.3912","0.0016","9.2901","0.0018","90","","94.064","0.003","90","","1463.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Mn O10 P2 -","- C8 H14 Mn O10 P2 -","- C32 H56 Mn4 O40 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0385","0.0355","","","0.0941","0.0963","","","","","","1.093","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216042","6.8159","0.0018","9.734","0.003","13.799","0.004","96.523","0.004","95.78","0.004","91.06","0.004","904.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Co O14 P2 -","- C8 H26 Co O14 P2 -","- C16 H52 Co2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0592","0.0456","","","0.1124","0.1208","","","","","","1.041","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216043","12.363","0.002","7.8134","0.0013","15.311","0.003","90","","93.942","0.004","90","","1475.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Co O20 P4 -","- C16 H34 Co O20 P4 -","- C32 H68 Co2 O40 P8 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.1145","0.0592","","","0.1266","0.1552","","","","","","1.014","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216044","6.7912","0.0011","9.6878","0.0016","13.786","0.002","96.736","0.002","95.816","0.005","91.082","0.005","895.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Ni O14 P2 -","- C8 H26 Ni O14 P2 -","- C16 H52 Ni2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0681","0.0444","","","0.0941","0.1016","","","","","","0.922","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216045","5.1671","0.001","6.3007","0.0012","10.029","0.003","75.102","0.005","84.496","0.01","76.61","0.003","306.72","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0471","0.0379","","","0.0937","0.0998","","","","","","1.072","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216046","12.3549","0.0013","7.8244","0.0008","15.3271","0.0016","90","","93.924","0.002","90","","1478.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 O20 P4 Zn -","- C16 H34 O20 P4 Zn -","- C32 H68 O40 P8 Zn2 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0783","0.0454","","","0.1014","0.1153","","","","","","1.013","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216047","19.781","0.004","6.7881","0.0015","9.4449","0.0019","90","","90.463","0.003","90","","1268.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cd O8 P2 -","- C8 H14 Cd O8 P2 -","- C32 H56 Cd4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0365","0.0331","","","0.0824","0.0849","","","","","","1.075","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216048","7.6143","0.0012","22.461","0.004","7.7097","0.0012","90","","90","","90","","1318.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 O8 P2 Zn -","- C8 H14 O8 P2 Zn -","- C32 H56 O32 P8 Zn4 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0367","0.0322","","","0.0925","0.0953","","","","","","1.089","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216049","5.7837","0.0003","6.0328","0.0003","12.3406","0.0006","90","","90","","90","","430.59","0.04","293.1","","293.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0662","","","","0.1718","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216050","5.0868","0.0003","13.0628","0.0008","10.9758","0.0007","90","","90.99","0.007","90","","729.21","0.08","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.1062","","","","0.3323","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216051","7.5958","0.0002","19.748","0.0014","11.251","0.0003","90","","90","","90","","1687.67","0.14","296","","296","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0993","","","","0.3082","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216052","6.7745","0.0011","6.8452","0.0016","21.531","0.004","88.152","0.016","82.974","0.012","60.518","0.009","862.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B11 Ba2 H7 O22 -","- B11 Ba2 H7 O22 -","- B22 Ba4 H14 O44 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0364","0.0261","","","0.0554","0.0604","","","","","","1.025","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216053","7.108","0.0014","7.1372","0.0012","9.878","0.003","106.885","0.017","91.569","0.017","119.185","0.011","409.99","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B4 Ba Ga H3 O10 -","- B4 Ba Ga H3 O10 -","- B8 Ba2 Ga2 H6 O20 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0479","0.0324","","","0.0651","0.0866","","","","","","1.154","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216054","5.6534","0.0002","25.5246","0.0009","12.1459","0.0003","90","","94.31","0.002","90","","1747.71","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.0974","0.0595","","0.2981","0.0698","0.0698","","","","","","0.9646","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216055","35.6129","0.0012","5.4646","0.0002","20.5952","0.0007","90","","120.439","0.002","90","","3455.6","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.1034","0.0504","","0.0443","0.0326","0.0326","","","","","","1.2421","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216056","6.2231","0.0005","10.3057","0.0008","15.4812","0.0011","75.295","0.001","79.299","0.001","74.715","0.001","918.84","0.12","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride","","- C16 H13 Cl5 Co N4 -","- C16 H13 Cl5 Co N4 -","- C32 H26 Cl10 Co2 N8 -","2","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.032","0.0261","","","0.0657","0.0681","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216057","19.004","0.016","12.519","0.011","19.141","0.018","90","","110.093","0.017","90","","4277","7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O","","- C50 H39 N2 O10.5 P2 -","- C50 H39 N2 O10.5 P2 -","- C200 H156 N8 O42 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0609","0.0374","","","0.0898","0.0981","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216058","4.9715","0.0019","9.162","0.004","10.233","0.004","109.757","0.007","92.325","0.007","98.082","0.007","432.4","0.3","207","2","207","2","","","","","","","","5","P -1","-P 1","2","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoK\α","","0.1561","0.0686","","","0.1079","0.1355","","","","","","0.815","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216059","4.9382","0.0006","9.1344","0.0011","10.2335","0.0012","110.667","0.002","91.904","0.002","98.093","0.002","425.88","0.09","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-6,6'-ium-dichloride dihydrate","","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0386","0.0334","","","0.0938","0.0976","","","","","","1.076","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216060","18.9374","0.0018","9.0233","0.0009","9.4739","0.0009","90","","92.801","0.002","90","","1616.9","0.3","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridin-1,1'-ium bis(dihydrogenphosphate) dihydrate","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0668","0.0409","","","0.1039","0.1148","","","","","","0.941","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216061","6.45","0.002","9.401","0.004","9.965","0.004","76.674","0.005","76.909","0.005","70.19","0.005","545.9","0.4","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C16 H28 N8 O2 S2 -","2","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKα","","0.0612","0.055","","","0.1639","0.1735","","","","","","0.834","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216062","14.182","0.009","9.295","0.006","8.723","0.005","90","","104.309","0.01","90","","1114.2","1.2","290","2","290","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C32 H56 N16 O4 S4 -","4","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKa","","0.0731","0.0569","","","0.1651","0.1838","","","","","","0.817","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216063","7.7407","0.0002","5.5405","0.0001","10.4926","0.0002","90","","103.643","0.001","90","","437.303","0.016","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Oxauracil","3-Oxauracil","","- C4 H3 N O3 -","- C4 H3 N O3 -","- C16 H12 N4 O12 -","4","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0324","0.0299","","","0.0822","0.0849","","","","","","1.067","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216064","14.4737","0.0003","6.003","0.0001","6.3626","0.0001","90","","90","","90","","552.818","0.017","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-Oxauracil monohydrate","3-Oxauracil monohydrate","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","0.5","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0298","0.0298","","","0.0818","0.0819","","","","","","1.083","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216065","4.6195","0.0001","7.0493","0.0001","7.3452","0.0002","88.169","0.001","81.504","0.001","86.245","0.001","235.998","0.009","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-hydroxy-2,4(1H,3H)pyrimidinedione","5-hydroxy-2,4(1H,3H)pyrimidinedione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C8 H8 N4 O6 -","2","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0463","0.0409","","","0.1193","0.1236","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216066","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Wu, Tao; Li, Dan","A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices","CrystEngComm","2005","7","97","595","","10.1039/b511708a","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216067","13.4415","0.0011","14.8653","0.0012","18.7182","0.0016","72.018","0.001","71.597","0.001","69.434","0.001","3239.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 Cl7 N8 O0.67 Zn -","- C41.3333 H25.3333 Cl4 N8 Zn -","- C124 H76 Cl12 N24 Zn3 -","3","1.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.0825","0.0519","","","0.129","0.1404","","","","","","1.028","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216068","33.072","0.011","33.072","0.011","9.285","0.004","90","","90","","120","","8795","6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41.33 H25.33 Cl4 N8 Zn -","- C40 H24 N8 Zn -","- C360 H216 N72 Zn9 -","9","0.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.1742","0.0804","","","0.1555","0.1775","","","","","","0.912","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216069","12.144","0.0002","12.253","0.0002","13.039","0.0003","94.872","0.002","111.431","0.002","110.706","0.002","1637.53","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H36 N14 Ni3 O20 S4 -","- C10 H36 N14 Ni3 O20 S4 -","- C20 H72 N28 Ni6 O40 S8 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0971","0.0429","","","0.0802","0.0967","","","","","","0.983","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216070","7.139","0.0014","31.196","0.006","11.575","0.002","90","","93.865","0.01","90","","2572","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N6 Ni2 O14 S2 -","- C12 H34 N6 Ni2 O14 S2 -","- C48 H136 N24 Ni8 O56 S8 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","","","0.1067","0.0701","","","0.118","0.1262","","","","","","1.146","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216071","13.711","0.002","10.2151","0.0015","18.702","0.003","90","","96.868","0.01","90","","2600.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N10 Ni O9 S3 -","- C12 H34 N10 Ni O9 S3 -","- C48 H136 N40 Ni4 O36 S12 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","synchrotron","","0.0465","0.0353","","","0.0742","0.0763","","","","","","1.145","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216072","9.194","0.0005","11.037","0.0007","9.283","0.0006","90","","107.528","0.004","90","","898.25","0.1","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H9 N3 O5 S Zn -","- C4 H9 N3 O5 S Zn -","- C16 H36 N12 O20 S4 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0317","0.0299","","","0.0778","0.0796","","","","","","1.086","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216073","7.355","0.0002","12.149","0.0002","16.809","0.0004","105.745","0.0009","96.956","0.002","104.237","0.002","1372.53","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H31 N11 O11 S3 Zn2 -","- C12 H31 N11 O11 S3 Zn2 -","- C24 H62 N22 O22 S6 Zn4 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.7107","MoKα","","0.0506","0.0335","","","0.07","0.0764","","","","","","1.018","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216074","8.973","0.002","13.598","0.003","15.883","0.004","90","","95.179","0.004","90","","1930.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C80 H72 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.038","0.0321","","","0.0747","0.0799","","","","","","1.008","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216075","22.723","0.005","13.317","0.003","14.967","0.003","90","","117.354","0.002","90","","4022.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cd N2 O6 -","- C22 H16 Cd N2 O6 -","- C176 H128 Cd8 N16 O48 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0364","0.0343","","","0.0852","0.0866","","","","","","1.084","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216076","9.19","0.004","15.36","0.006","16.17","0.007","90","","99.11","0.005","90","","2253.7","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cd N2 O6 -","- C23 H24 Cd N2 O6 -","- C92 H96 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0753","0.0591","","","0.1331","0.1444","","","","","","1.095","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216077","25.995","0.005","11.6819","0.0013","16.66","0.003","90","","125.584","0.006","90","","4114.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cd N2 O8 -","- C20 H14 Cd N2 O6.5 -","- C160 H112 Cd8 N16 O52 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0766","0.069","","","0.1666","0.1721","","","","","","1.091","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216078","36.412","0.004","36.412","0.004","36.412","0.004","90","","90","","90","","48276","9","293","2","293","2","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","","","- C38 H51.12 O9.56 -","- C38 H44 O9.56083 -","- C1824 H2112 O458.92 -","48","1","","Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido","Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture","CrystEngComm","2005","7","73","449","","10.1039/b505375g","","","0.93931","synchrotron","","0.1046","0.104","","","0.3804","0.3841","","","","","","2.105","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216079","8.3237","0.0001","9.6149","0.0001","12.8717","0.0001","81.09","0.001","82.799","0.001","84.601","0.001","1006.75","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni O2 S2 -","- C18 H24 N4 Ni O2 S2 -","- C36 H48 N8 Ni2 O4 S4 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0297","0.0246","","","0.0855","0.0924","","","","","","0.773","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216080","16.4822","0.0002","27.7131","0.0003","22.9061","0.0003","90","","95.793","0.001","90","","10409.5","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C198 H234 N36 Ni6 O12 S12 -","- C198 H234 N36 Ni6 O12 S12 -","- C396 H468 N72 Ni12 O24 S24 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0869","0.0541","","","0.1188","0.1346","","","","","","1.003","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216081","9.2777","0.0011","9.9706","0.0012","13.3237","0.0016","79.104","0.002","83.541","0.002","86.798","0.002","1201.8","0.2","97","2","97","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2PO3))","[{Cu(mephenterpy)}VO2(HO3PCH2CH2PO3)]","","- C24 H22 Cu N3 O8 P2 V -","- C24 H22 Cu N3 O8 P2 V -","- C48 H44 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0782","0.0649","","","0.1793","0.1872","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216082","13.4729","0.0014","14.4371","0.0015","14.7309","0.0015","76.621","0.002","65.738","0.002","77.775","0.002","2519.2","0.5","92","2","92","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))2V3O6(O3PCH2CH2PO3)(HO3PCH2CH2PO3))","","","- C48 H43 Cu2 N6 O18 P4 V3 -","- C48 H43 Cu2 N6 O18 P4 V3 -","- C96 H86 Cu4 N12 O36 P8 V6 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0783","0.0663","","","0.1382","0.1453","","","","","","1.091","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216083","8.9849","0.0011","11.2108","0.0011","13.6744","0.0019","74.024","0.002","81.549","0.002","80.035","0.001","1297","0.3","96","2","96","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2CH2PO3))","","","- C25 H24 Cu N3 O8 P2 V -","- C25 H24 Cu N3 O8 P2 V -","- C50 H48 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0559","0.0447","","","0.1209","0.1272","","","","","","1.05","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216084","14.6527","0.0013","25.481","0.002","13.7823","0.0012","90","","106.866","0.002","90","","4924.5","0.7","95","2","95","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((Cu(mephenterpy))2(V2O5)2(O3PCH2CH2CH2PO3))","","","- C23.5 H20 Cu N3 O8 P V2 -","- C23.5 H20 Cu N3 O8 P V2 -","- C188 H160 Cu8 N24 O64 P8 V16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0678","0.05","","","0.1071","0.1141","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216085","27.7564","0.0018","12.7861","0.0008","17.638","0.0012","90","","125.301","0.001","90","","5108.7","0.6","96","2","96","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Cu(mephenterpy)(HO3PCH2CH2CH2CH2PO3H))","","","- C26 H29 Cu N3 O7 P2 -","- C26 H29 Cu N3 O7 P2 -","- C208 H232 Cu8 N24 O56 P16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0396","0.033","","","0.0815","0.0849","","","","","","1.047","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216086","14.923","0.003","14.426","0.003","7.544","0.002","90","","91.9","0.03","90","","1623.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O5 Zn -","- C20 H14 N2 O5 Zn -","- C80 H56 N8 O20 Zn4 -","4","0.5","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0956","0.1148","","","","","","1.01","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216087","19.997","0.002","19.997","0.002","19.997","0.002","90","","90","","90","","7996.4","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 N6 O19.5 Zn3 -","- C90 H72 N6 O19.5 Zn3 -","- C360 H288 N24 O78 Zn12 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0553","0.0472","","","0.1293","0.1333","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216088","20.342","0.0005","20.342","0.0005","20.342","0.0005","90","","90","","90","","8417.5","0.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 Cd3 N6 O19.5 -","- C90 H72 Cd3 N6 O19.5 -","- C360 H288 Cd12 N24 O78 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0378","0.0318","","","0.0847","0.0872","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216089","20.6146","0.0013","20.6146","0.0013","20.6146","0.0013","90","","90","","90","","8760.4","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H85 Cd3 N6 O18.5 -","- C96 H84 Cd3 N6 O18.5 -","- C384 H336 Cd12 N24 O74 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0579","0.035","","","0.076","0.0829","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216090","13.4837","0.0013","13.7172","0.0013","18.9414","0.0018","90","","87.155","0.003","90","","3499.1","0.6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N5 O11 P3 V -","- C30 H23 Cu2 N5 O11 P3 V -","- C120 H92 Cu8 N20 O44 P12 V4 -","4","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0878","0.0638","","","0.1098","0.1291","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216091","17.2481","0.0012","26.2681","0.0019","11.0818","0.0008","90","","90","","90","","5020.9","0.6","90","2","87","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H9 Cu0.5 N O5 P V -","- C11 H9 Cu0.5 N O5 P V -","- C176 H144 Cu8 N16 O80 P16 V16 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0373","0.0354","","","0.0807","0.0816","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216092","8.0833","0.0007","11.5444","0.001","10.5565","0.0009","90","","108.335","0.002","90","","935.09","0.14","87","2","87","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H13 Cu N2 O8 P2 V -","- C16 H13 Cu N2 O8 P2 V -","- C32 H26 Cu2 N4 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0316","0.0303","","","0.078","0.0788","","","","","","1.023","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216093","20.7505","0.001","45.726","0.002","6.0304","0.0003","90","","90","","90","","5721.9","0.5","101","2","101","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H12 Cu2 N O8 P2 -","- C11 H12 Cu2 N O8 P2 -","- C176 H192 Cu32 N16 O128 P32 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0367","0.0339","","","0.0716","0.0727","","","","","","1.097","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216094","9.7559","0.0009","13.8997","0.0013","19.7171","0.0018","101.657","0.002","93.949","0.002","110.477","0.002","2424.6","0.4","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 Cu2 N4 O15 P4 V2 -","- C48 H36 Cu2 N4 O15 P4 V2 -","- C96 H72 Cu4 N8 O30 P8 V4 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0738","0.0659","","","0.1846","0.1885","","","","","","1.138","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216095","14.87","0.001","25.446","0.001","8.275","0.002","90","","90","","90","","3131.1","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H18 Cl3 N O Pb S2 -","- C8 H18 Cl3 N O Pb S2 -","- C64 H144 Cl24 N8 O8 Pb8 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito","Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system","CrystEngComm","2005","7","88","544","","10.1039/b507499a","","","0.71073","MoKα","","0.054","0.0366","","","0.0896","0.0926","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216096","15.393","0.004","15.393","0.004","6.6615","0.0014","90","","90","","120","","1366.9","0.6","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H24 N6 O6 -","- C24 H12 N6 O3 -","- C48 H24 N12 O6 -","2","0.333333","","Süss, Heike I.; Neels, Antonia; Hulliger, J.","2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering","CrystEngComm","2005","7","61","370","","10.1039/b507301d","","","0.71073","MoKα","","0.1142","0.0963","","","0.259","0.2771","","","","","","1.09","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216097","24.842","0.002","18.1089","0.0017","10.8129","0.001","90","","107.213","0.001","90","","4646.4","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N10 O6 Sn -","- C52 H36 N10 O6 Sn -","- C208 H144 N40 O24 Sn4 -","4","0.5","","Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon","Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules","CrystEngComm","2005","7","68","417","","10.1039/b504841a","","","0.71073","MoKα","","0.053","0.0457","","","0.1259","0.1304","","","","","","1.07","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216098","6.1272","0.0008","7.262","0.001","45.252","0.006","90","","90","","90","","2013.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.0601","0.0444","","","0.1085","0.1128","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216099","6.212","0.001","7.213","0.002","44.481","0.009","90","","90","","90","","1993.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.1165","0.0843","","","0.2254","0.2437","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216100","6.1739","0.0008","7.1907","0.0009","44.763","0.007","90","","90","","90","","1987.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.126","0.1161","","","0.2475","0.2515","","","","","","1.165","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216101","9.8663","0.0009","10.7948","0.0009","12.5957","0.0009","108.446","0.007","101.895","0.007","93.506","0.007","1233.66","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","","- C64 H46 N12 -","- C64 H46 N12 -","- C64 H46 N12 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","1.54178","CuKα","","0.0515","0.0391","","","0.1042","0.1119","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216102","7.1084","0.0005","12.7044","0.0007","20.4711","0.0012","86.329","0.005","81.084","0.005","77.767","0.005","1783.96","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","","- C46 H34 N8 O -","- C46 H34 N8 O -","- C92 H68 N16 O2 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0738","0.055","","","0.126","0.1472","","","","","","1.108","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216103","14.1875","0.0008","8.7245","0.0005","23.006","0.0013","90","","101.831","0.005","90","","2787.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","","- C34 H26 N6 O2 S -","- C34 H26 N6 O2 S -","- C136 H104 N24 O8 S4 -","4","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0645","0.0399","","","0.0858","0.095","","","","","","0.922","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216104","8.5174","0.0007","8.6054","0.0009","14.5408","0.0011","99.694","0.007","93.711","0.006","115.471","0.009","937.12","0.17","140","2","140","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","","- C23 H20 N5 -","- C23 H20 N5 -","- C46 H40 N10 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0613","0.0475","","","0.1192","0.1285","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216105","5.336","0.0008","10.8324","0.0017","11.4215","0.0017","66.689","0.015","78.508","0.012","81.096","0.013","592.02","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0768","0.055","","","0.128","0.1496","","","","","","1.114","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216106","8.4657","0.0017","9.1803","0.0018","12.904","0.003","95.69","0.03","99.32","0.03","112.12","0.03","902.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C23 H19.5 N0.5 O3 -","- C23 H18 N0.5 O3 -","- C46 H36 N O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.1033","0.049","","","0.1296","0.1509","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216107","13.501","0.003","8.8328","0.0018","17.207","0.003","90","","99.32","0.03","90","","2024.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.0485","0.0368","","","0.0908","0.0976","","","","","","1.039","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216108","26.254","0.003","11.6963","0.0012","31.383","0.005","90","","114.6","0.03","90","","8762","3","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene 1,4-diiodo-2,3,5,6-tetrafluorobenzene hemi-carbontetrachloride","","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C324 H192 Cl16 F32 I16 N40 O48 P24 -","4","0.5","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.0255","0.0205","","","0.0564","0.0571","","","","","","1.024","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216109","9.97","0.003","11.443","0.003","27.801","0.005","90","","94.14","0.03","90","","3163.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene","","- C34 H24 N5 O6 P3 -","- C34 H24 N5 O6 P3 -","- C136 H96 N20 O24 P12 -","4","1","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.1203","0.0621","","","0.1324","0.1614","","","","","","1.009","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216110","10.3728","0.0002","6.6329","0.0001","20.0945","0.0004","90","","94.336","0.001","90","","1378.58","0.04","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Co(H2O)6)Br2 . 2(bpdo) . 2H2O","[Co(H2O)6]Br2 . 2(bpdo) . 2H2O","","- C20 H28 Br2 Co N4 O12 -","- C20 H28 Br2.01 Co N4 O12.01 -","- C40 H56 Br4.02 Co2 N8 O24.02 -","2","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","","0.71073","MoKα","","0.0505","0.0439","","","0.1116","0.1138","","","","","","1.171","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216111","6.7328","0.0002","10.2841","0.0003","10.6577","0.0003","85.2","0.001","70.023","0.001","91.103","0.001","690.21","0.03","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)","[Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)","","- C20 H32 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","1","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1552","0.1055","","","0.2736","0.3124","","","","","","1.102","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216112","19.149","0.003","19.149","0.003","13.917","0.003","90","","90","","90","","5103.1","1.6","113","2","113","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","(CoI2(H2O)4) . 2(bpdo)","","","- C20 H24 Co I2 N4 O8 -","- C20 H24 Co I2 N4 O8 -","- C160 H192 Co8 I16 N32 O64 -","8","0.25","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0338","0.0186","","","0.0399","0.0441","","","","","","1.023","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216113","7.8139","0.0002","9.9126","0.0003","17.1863","0.0005","78.607","0.001","83.46","0.001","85.615","0.001","1294.47","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H16 Co N6 O14 -","- C40 H32 Co2 N12 O28 -","2","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1355","0.0704","","","0.1793","0.2094","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216114","12.129","0.002","12.907","0.003","17.896","0.004","77.49","0.03","70.25","0.03","76.28","0.03","2532.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H23 Co N6 O14 -","- C80 H92 Co4 N24 O56 -","4","2","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0896","0.0412","","","0.0913","0.1085","","","","","","1.017","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216115","7.122","0.001","25.319","0.005","10.241","0.002","90","","93.14","0.03","90","","1843.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Co(H2O)5(bpdo))SO4 . 2H2O","[Co(H2O)5(bpdo)]SO4 . 2H2O","","- C10 H22 Co N2 O13 S -","- C10 H22 Co N2 O13 S -","- C40 H88 Co4 N8 O52 S4 -","4","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0487","0.0369","","","0.0882","0.0932","","","","","","1.126","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216116","12.2972","0.0003","10.3781","0.0003","19.1675","0.0004","90","","103.598","0.002","90","","2377.62","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag As F6 N2 -","- C8 H10 Ag As F6 N2 -","- C64 H80 Ag8 As8 F48 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0482","0.0306","","","0.0684","0.0733","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216117","12.3792","0.0005","10.6135","0.0003","19.1059","0.0007","90","","101.732","0.002","90","","2457.82","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 Sb -","- C8 H10 Ag F6 N2 Sb -","- C64 H80 Ag8 F48 N16 Sb8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0351","0.0259","","","0.0641","0.0667","","","","","","1.047","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216118","12.3034","0.0003","10.1981","0.0003","19.2165","0.0006","90","","105.077","0.001","90","","2328.12","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 P -","- C8 H10 Ag F6 N2 P -","- C64 H80 Ag8 F48 N16 P8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0335","0.0261","","","0.0713","0.0756","","","","","","1.001","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216119","11.83","0.002","10.034","0.002","17.741","0.004","90","","90","","90","","2105.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag B F4 N2 -","- C8 H10 Ag B F4 N2 -","- C64 H80 Ag8 B8 F32 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0292","0.0228","","","0.0595","0.0638","","","","","","1.02","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216120","11.8146","0.0014","9.8538","0.0011","13.4621","0.0016","90","","102.271","0.003","90","","1531.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphelyn phosphite","triphelyn phosphite","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Long-awaited polymorphic modification of triphenyl phosphite","CrystEngComm","2005","7","77","465","","10.1039/b505052a","","","0.71073","MoKα","","0.1099","0.0576","","","0.1071","0.1177","","","","","","1.058","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216121","8.362","0.002","9.211","0.003","14.892","0.004","100.999","0.019","94.355","0.017","97.503","0.017","1110.3","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","[Ni(bpta)(CH3COO)2(H2O)].H2O","","","- C20 H31 N3 Ni O6 -","- C20 H31 N3 Ni O6 -","- C40 H62 N6 Ni2 O12 -","2","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","","","0.0601","0.04","","","0.0933","0.1031","","","","","","0.974","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216122","13.9083","0.0006","17.7966","0.0007","18.4094","0.0008","90","","90","","90","","4556.7","0.3","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(bpta)(H2O)2(adc)].2H2O","","","- C20 H29 N3 Ni O8 -","- C20 H29 N3 Ni O8 -","- C160 H232 N24 Ni8 O64 -","8","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.065","0.0374","","","0.0777","0.088","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216123","9.1706","0.0009","14.658","0.0012","16.5447","0.0016","75.264","0.005","83.445","0.006","87.664","0.006","2136.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Ni4(bpta)4(fumarate)4(H2O)4].4H2O","","","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","1","0.5","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.0955","0.0452","","","0.0863","0.1123","","","","","","0.897","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216124","14.593","0.0013","9.6778","0.0007","17.2357","0.0015","90","","90","","90","","2434.2","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[Ni(bpta)(succinate)(H2O)2].3H2O","","","- C20 H35 N3 Ni O9 -","- C20 H35 N3 Ni O9 -","- C80 H140 N12 Ni4 O36 -","4","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKa","","0.0467","0.0354","","","0.0684","0.0734","","","","","","0.968","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216125","3.641","0.005","9.363","0.014","17.51","0.03","90","","92.5","0.02","90","","596.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium rhodizonate","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C16 H24 N12 O12 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","An unexpected network in guanidinium rhodizonate","CrystEngComm","2005","7","105","629","","10.1039/b513300a","","","0.71073","MoKα","","0.2317","0.0986","","","0.2223","0.2572","","","","","","0.826","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216126","7.334","0.0006","7.6604","0.0006","16.1964","0.0011","90","","95.632","0.002","90","","905.54","0.12","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.064","0.049","","","0.114","0.122","","","","","","1.06","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216127","5.6059","0.0008","7.9101","0.0011","11.9617","0.0013","99.223","0.003","101.517","0.003","100.21","0.004","500.87","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C20 H22 N2 O4 S2 -","2","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.087","0.069","","","0.211","0.221","","","","","","1.17","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216128","14.5243","0.001","7.7142","0.0006","17.276","0.0012","90","","110.56","0.002","90","","1812.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl N O S -","- C8 H8 Cl N O S -","- C64 H64 Cl8 N8 O8 S8 -","8","2","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.062","0.043","","","0.112","0.121","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216129","8.1538","0.0009","6.8174","0.0008","18.976","0.002","90","","97.586","0.003","90","","1045.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.073","0.047","","","0.115","0.125","","","","","","0.96","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216149","13.7425","0.0009","12.8087","0.0006","16.1475","0.0011","90","","90","","90","","2842.3","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1125","0.0611","","","0.1291","0.1531","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216150","13.7873","0.001","12.8044","0.0007","16.1354","0.0012","90","","90","","90","","2848.5","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.941 O -","- C136 H143.528 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1463","0.0677","","","0.1395","0.1737","","","","","","1.002","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216151","13.8192","0.001","12.7869","0.0008","16.1471","0.0013","90","","90","","90","","2853.3","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.894 O -","- C136 H143.152 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.163","0.0698","","","0.1307","0.1669","","","","","","1.03","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216152","13.4655","0.001","12.5668","0.0009","15.7267","0.001","90","","90","","90","","2661.2","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1237","0.0573","","","0.1189","0.1521","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216153","13.491","0.0009","12.5526","0.0009","15.73","0.001","90","","90","","90","","2663.8","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.927 O -","- C136 H143.416 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1387","0.0684","","","0.1418","0.1779","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216154","13.5452","0.0014","12.5231","0.0013","15.7348","0.0015","90","","90","","90","","2669.1","0.5","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.845 O -","- C136 H142.76 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1602","0.0759","","","0.1675","0.2143","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216155","13.649","0.003","12.434","0.002","15.727","0.002","90","","90","","90","","2669.1","0.8","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.56 O -","- C136 H140.48 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2135","0.1077","","","0.2603","0.3258","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216156","13.8701","0.0012","12.3384","0.0012","15.6455","0.0014","90","","90","","90","","2677.5","0.4","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.138","0.0608","","","0.1258","0.1571","","","","","","1.059","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216157","13.2329","0.0014","12.3822","0.0013","15.3841","0.0013","90","","90","","90","","2520.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1158","0.06","","","0.1064","0.1289","","","","","","1.088","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216158","13.2786","0.0013","12.3373","0.0013","15.3991","0.0013","90","","90","","90","","2522.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.922 O -","- C136 H143.376 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1306","0.0682","","","0.1336","0.161","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216159","13.3379","0.0016","12.2853","0.0017","15.4065","0.0016","90","","90","","90","","2524.5","0.5","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.795 O -","- C136 H142.36 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1706","0.0879","","","0.1843","0.2351","","","","","","1.043","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216160","13.433","0.003","12.206","0.003","15.429","0.002","90","","90","","90","","2529.8","0.9","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.481 O -","- C136 H139.848 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2529","0.1416","","","0.345","0.4121","","","","","","1.055","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216161","13.661","0.0013","12.0155","0.0014","15.4219","0.0014","90","","90","","90","","2531.4","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1294","0.0569","","","0.0928","0.1147","","","","","","1.107","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216162","13.17","0.002","12.292","0.002","15.2402","0.0013","90","","90","","90","","2467.2","0.6","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1464","0.0747","","","0.1669","0.2062","","","","","","1.073","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216163","13.243","0.002","12.235","0.003","15.2564","0.0015","90","","90","","90","","2472","0.8","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.888 O -","- C136 H143.104 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1616","0.0789","","","0.1818","0.2276","","","","","","1.059","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216164","13.288","0.003","12.199","0.003","15.287","0.0017","90","","90","","90","","2478","0.9","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.762 O -","- C136 H142.096 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1992","0.0916","","","0.2002","0.2622","","","","","","1.041","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216165","10.33","0.001","20.786","0.001","12.908","0.001","90","","100.697","0.001","90","","2723.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N4 O6 Tb -","- C31 H19 N4 O6 Tb -","- C124 H76 N16 O24 Tb4 -","4","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0335","0.0255","","","0.0608","0.0639","","","","","","1.051","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216166","8.942","0.001","10.033","0.001","12.792","0.001","79.834","0.001","79.463","0.001","86.005","0.001","1109.74","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Eu N4 O6.5 -","- C25 H14 Eu N4 O6.5 -","- C50 H28 Eu2 N8 O13 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0318","0.0283","","","0.0711","0.0764","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216167","7.626","0.001","13.117","0.001","16.103","0.001","99.972","0.001","99.69","0.001","98.667","0.001","1536.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N6 O7 Tb -","- C35 H24 N6 O7 Tb -","- C70 H48 N12 O14 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.036","0.0322","","","0.0841","0.0924","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216168","7.666","0.001","13.178","0.001","16.123","0.001","100.232","0.001","99.576","0.001","98.785","0.001","1552.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Eu N6 O7 -","- C35 H24 Eu N6 O7 -","- C70 H48 Eu2 N12 O14 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0362","0.0311","","","0.0828","0.091","","","","","","1.041","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216169","10.09","0.001","14.133","0.001","15.143","0.001","70.273","0.001","71.654","0.001","76.327","0.001","1908.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N8 O6 Tb -","- C45 H29 N8 O6 Tb -","- C90 H58 N16 O12 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0445","0.035","","","0.087","0.1008","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216170","10.066","0.005","14.037","0.008","15.093","0.008","70.602","0.008","71.933","0.007","76.487","0.008","1891.9","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 Eu N8 O6 -","- C45 H29 Eu N8 O6 -","- C90 H58 Eu2 N16 O12 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0613","0.0473","","","0.1321","0.1484","","","","","","1.089","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216171","9.3854","0.0005","14.0773","0.0006","14.0972","0.0006","65.54","0.002","70.737","0.002","79.985","0.002","1598.95","0.13","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","1","1","","Harrowfield, Jack M.; Hirsch, Anna Katharina Herta; sirlin, claude; Lehn, Jean-Marie","A Doubly Hermaphroditic Chiral Crown Ether","CrystEngComm","2014","","","","","10.1039/c4ce00879k","","","0.71073","MoKα","","0.1041","0.072","","","0.168","0.1977","","","","","","1.08","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216172","12.889","0.002","14.4316","0.0018","13.6143","0.0019","90","","105.888","0.01","90","","2435.6","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N2 Na2 O8 Pd -","- C20 H22 N2 Na2 O8 Pd -","- C80 H88 N8 Na8 O32 Pd4 -","4","0.5","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0189","0.0164","","","0.0537","0.0697","","","","","","1.332","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216173","16.317","0.002","25.271","0.002","13.9855","0.0014","90","","124.893","0.006","90","","4730.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 K4 N4 O15 Pd2 -","- C40 H42 K4 N4 O15 Pd2 -","- C160 H168 K16 N16 O60 Pd8 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0203","0.0199","","","0.049","0.0493","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216174","16.4305","0.001","25.181","0.0019","14.1936","0.0007","90","","124.878","0.002","90","","4817.6","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 N4 O15 Pd2 Rb4 -","- C40 H36 N4 O15 Pd2 Rb4 -","- C160 H144 N16 O60 Pd8 Rb16 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0647","0.0628","","","0.1924","0.1973","","","","","","1.063","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216175","24.874","0.005","24.355","0.005","26.539","0.005","90","","90","","90","","16077","6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Cs6 N6 O28 Pd3 -","- C60 H54 Cs6 N6 O28 Pd3 -","- C480 H432 Cs48 N48 O224 Pd24 -","8","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.1011","0.0681","","","0.2282","0.2592","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216176","16.4083","0.0006","22.4457","0.0012","13.474","0.0004","90","","124.48","0.001","90","","4090.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H20 N2 Na2 O7 Pd -","- C20 H18 N2 Na2 O7 Pd -","- C160 H144 N16 Na16 O56 Pd8 -","8","2","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis–trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0294","0.0286","","","0.0747","0.0812","","","","","","1.08","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7216177","7.7195","0.0005","8.2128","0.0005","26.4533","0.0017","90","","90","","90","","1677.11","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1123","0.0678","","","0.1084","0.121","","","","","","1.084","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216178","6.9544","0.0005","11.7552","0.0008","26.8723","0.0019","90","","90","","90","","2196.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O7 -","- C20 H30 N2 O7 -","- C80 H120 N8 O28 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1196","0.0615","","","0.1383","0.1635","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216179","12.374","0.003","7.6754","0.0015","12.714","0.003","90","","107.15","0.03","90","","1153.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.0761","0.0489","","","0.1206","0.1456","","","","","","1.217","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216180","10.5665","0.001","7.6596","0.0007","12.8714","0.0011","90","","106.949","0.002","90","","996.5","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O8 -","- C18 H28 N2 O8 -","- C36 H56 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1041","0.0816","","","0.2045","0.2254","","","","","","1.027","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216181","18.3488","0.0005","18.3488","0.0005","11.1379","0.0006","90","","90","","120","","3247.5","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H21.57 N3 O9.28 -","- C18 H21 N3 O9 -","- C108 H126 N18 O54 -","6","0.333333","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.093","0.0889","","","0.2394","0.2413","","","","","","1.25","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216182","24.552","0.005","17.135","0.003","19.302","0.004","90","","111.1","0.03","90","","7576","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H66 Ge2 K2 Mo16 N6 O71 -","- C9 H33 Ge2 K Mo16 N6 O71 -","- C36 H132 Ge8 K4 Mo64 N24 O284 -","4","0.5","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0646","0.0464","","","0.1322","0.144","","","","","","0.983","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216183","21.051","0.004","15.483","0.003","13.472","0.003","90","","103.62","0.03","90","","4267.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ge2 H60 Mo16 Na12 O88 -","- Ge2 Mo16 Na12 O88 -","- Ge4 Mo32 Na24 O176 -","2","0.25","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0453","0.0399","","","0.1212","0.1237","","","","","","1.091","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216186","20.2438","0.0003","14.308","0.0002","19.1313","0.0003","90","","105.688","0.001","90","","5334.92","0.14","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 O4 S -","- C32 H24 Cl2 O4 S -","- C256 H192 Cl16 O32 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0385","0.0321","","","0.0802","0.083","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216187","33.3796","0.001","10.1112","0.0002","14.2492","0.0004","90","","91.117","0.001","90","","4808.3","0.2","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Cl2 O2 S -","- C31 H19 Cl2 O2 S -","- C248 H152 Cl16 O16 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0492","0.0357","","","0.0819","0.0866","","","","","","1.022","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216188","13.991","0.0013","10.2442","0.0008","15.5461","0.0013","90","","99.564","0.003","90","","2197.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 Cl2 O2 S -","- C28 H16 Cl2 O2 S -","- C112 H64 Cl8 O8 S4 -","4","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0548","0.0383","","","0.1025","0.1099","","","","","","1.111","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216189","6.622","0.0001","7.7322","0.0002","9.8897","0.0004","80.5127","0.001","88.4579","0.0011","70.5583","0.0018","470.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0344","0.0287","","","0.064","0.0653","","","","","","1.038","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216190","10.7543","0.0001","15.5103","0.0002","22.9109","0.0004","90","","90","","90","","3821.59","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 Cd2 Cl2 N16 O9 -","- C26 H26 Cd2 Cl2 N16 O9 -","- C104 H104 Cd8 Cl8 N64 O36 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0905","0.0441","","","0.109","0.1221","","","","","","0.95","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216191","13.3175","0.0003","12.4223","0.0004","13.3087","0.0003","90","","118.383","0.0016","90","","1937.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cd2 N17 -","- C12 H10 Cd2 N17 -","- C48 H40 Cd8 N68 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0465","0.0243","","","0.053","0.057","","","","","","0.914","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216192","12.9875","0.0003","12.8242","0.0003","13.6191","0.0003","90","","116.947","0.0016","90","","2022.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd2 N18 -","- C12 H7 Cd2 N18 -","- C48 H28 Cd8 N72 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.061","0.0377","","","0.0794","0.0828","","","","","","1.281","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216193","12.733","0.003","12.911","0.003","13.92","0.003","90","","115.79","0.03","90","","2060.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 N16 -","- C14 H14 Cd2 N16 -","- C56 H56 Cd8 N64 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0685","0.0331","","","0.0605","0.0657","","","","","","0.86","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216194","11.766","0.003","24.48","0.005","14.315","0.004","90","","100.78","0.03","90","","4050.4","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 Cl4 Cu2 N6 O7 -","- C38 H40 Cl4 Cu2 N6 O7 -","- C152 H160 Cl16 Cu8 N24 O28 -","4","1","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.1322","0.0499","","","0.093","0.1188","","","","","","1.007","","","","has coordinates","275109","2022-05-06","15:20:05",""
"7216195","5.688","0.002","7.57","0.002","21.55","0.004","85.59","0.02","84.57","0.03","79.43","0.02","906.4","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H18 Cl Cu N3 O4 -","- C18 H18 Cl Cu N3 O4 -","- C36 H36 Cl2 Cu2 N6 O8 -","2","2","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.0161","0.0147","","","0.0374","0.0383","","","","","","1.085","","","","has coordinates","275109","2022-05-06","15:20:06",""
"7216196","10.1044","0.0005","18.7022","0.0008","26.5462","0.0012","90","","98.448","0.002","90","","4962.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl2 Hg2 N8 O12 -","- C36 H52 Cl2 Hg2 N8 O12 -","- C144 H208 Cl8 Hg8 N32 O48 -","4","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.0509","0.0407","","","0.1012","0.1059","","","","","","1.098","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216197","16.052","0.009","21.298","0.012","8.932","0.005","90","","99.1","0.02","90","","3015","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl3 Hg2 N8 O2 -","- C54 H76 Cl3 Hg2 N8 O2 -","- C108 H152 Cl6 Hg4 N16 O4 -","2","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.1549","0.0871","","","0.2432","0.3047","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216198","7.019","0.003","28.604","0.003","5.964","0.003","90","","91.808","0.008","90","","1196.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C52 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0742","0.06","","","0.128","0.1327","","","","","","1.214","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216199","6.9188","0.0008","31.18","0.012","6.2103","0.0011","90","","93.463","0.015","90","","1337.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0865","0.0578","","","0.1369","0.1475","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216200","6.3297","0.0002","31.7864","0.0011","6.939","0.0002","90","","92.732","0.003","90","","1394.53","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.038","0.0323","","","0.0827","0.0867","","","","","","1.028","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216201","6.2264","0.0011","30.6016","0.0017","6.9804","0.0012","90","","93.297","0.013","90","","1327.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl Cu N O4 -","- C14 H10 Cl Cu N O4 -","- C56 H40 Cl4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.1535","0.0876","","","0.1791","0.196","","","","","","1.148","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216202","6.2413","0.0002","31.0345","0.0007","6.9777","0.0002","90","","93.573","0.002","90","","1348.92","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br Cu N O4 -","- C14 H10 Br Cu N O4 -","- C56 H40 Br4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0604","0.0574","","","0.1675","0.1707","","","","","","1.184","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216203","6.2716","0.0002","31.968","0.0007","6.9916","0.0002","90","","93.949","0.002","90","","1398.42","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu I N O4 -","- C14 H10 Cu I N O4 -","- C56 H40 Cu4 I4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0524","0.0491","","","0.1364","0.1392","","","","","","1.181","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216204","6.8019","0.0004","14.4384","0.0008","19.8727","0.0012","90.46","0.002","99.276","0.002","101.46","0.002","1886.13","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N5 O4.5 S -","- C18 H18 N5 O4.5 S -","- C72 H72 N20 O18 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1543","0.0567","","","","0.0996","","","","","","0.949","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216205","8.151","0.0005","26.5997","0.0017","10.1579","0.0007","90","","113.394","0.003","90","","2021.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O4 S -","- C20 H20 N6 O4 S -","- C80 H80 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0798","0.0601","","","","0.1699","","","","","","1.146","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216206","6.9103","0.0001","22.1444","0.0005","25.1813","0.0005","90","","97.068","0.001","90","","3824.07","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H71 N21 O16 S4 -","- C74 H71 N21 O16 S4 -","- C148 H142 N42 O32 S8 -","2","0.5","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1322","0.0572","","","0.1219","0.1456","","","","","","0.978","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216207","10.9928","0.0008","15.3135","0.0015","12.551","0.001","90","","112.039","0.004","90","","1958.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N5 O4 S -","- C19 H19 N5 O4 S -","- C76 H76 N20 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1021","0.0567","","","0.1151","0.1309","","","","","","0.985","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216208","12.005","0.003","13.789","0.003","13.81","0.004","72.186","0.007","68.682","0.007","80.962","0.007","2024.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N5 O4 S -","- C22 H19 N5 O4 S -","- C88 H76 N20 O16 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1858","0.0618","","","","0.102","","","","","","0.887","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216209","6.9267","0.0002","8.3356","0.0003","28.8177","0.001","86.485","0.002","84.209","0.002","76.271","0.001","1606.89","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N9 O8 S2 -","- C32 H29 N9 O8 S2 -","- C64 H58 N18 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0916","0.0616","","","0.1327","0.1457","","","","","","1.096","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216210","11.6101","0.0006","26.2908","0.0015","6.771","0.0003","90","","103.48","0.003","90","","2009.84","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N6 O4 S -","- C21 H18 N6 O4 S -","- C84 H72 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0721","0.0546","","","","0.1538","","","","","","1.081","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216211","6.792","0.011","8.646","0.015","29.66","0.05","94.159","0.011","90.513","0.018","104.78","0.04","1679","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 O8 S2 -","- C34 H30 N8 O8 S2 -","- C68 H60 N16 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.6889","synchrotron","","0.2644","0.1739","","","","0.4876","","","","","","1.239","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216212","9.1504","0.0004","10.9678","0.0004","11.7747","0.0005","89.228","0.002","75.765","0.002","70.977","0.002","1080","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C42 H30 Cl4 N6 O16 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0586","0.0376","","","0.0844","0.0909","","","","","","0.945","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216213","8.5627","0.0005","13.3395","0.0007","19.3963","0.0012","90","","100.925","0.003","90","","2175.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C84 H60 Cl8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0797","0.0397","","","0.0678","0.0762","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216214","7.0616","0.0008","11.6031","0.0013","13.2994","0.0017","71.351","0.005","84.932","0.005","78.919","0.005","1012.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N4 O6 S -","- C20 H17 Cl N4 O6 S -","- C40 H34 Cl2 N8 O12 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0896","0.045","","","","0.1065","","","","","","0.984","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216215","8.8422","0.0017","13.437","0.002","19.242","0.004","90","","100.518","0.011","90","","2247.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br2 N3 O8 S -","- C21 H15 Br2 N3 O8 S -","- C84 H60 Br8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.049","0.0319","","","","0.0785","","","","","","0.935","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216216","8.0679","0.0009","16.014","0.0017","3.5224","0.0004","90","","101.112","0.001","90","","446.56","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Tm -","- B3 Ca4.021 O10 Tm1.005 -","- B6 Ca8.042 O20 Tm2.01 -","2","0.5","","Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian","Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals","CrystEngComm","2014","16","30","7141","","10.1039/C4CE00869C","","","0.71069","MoKα","","0.0152","0.0152","","","0.0359","0.0359","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216217","13.6451","0.0019","13.6451","0.0019","17.203","0.003","90","","90","","120","","2773.9","0.7","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H90 Fe6 N6 O27 -","- C36 H72 Fe6 N6 O27 -","- C72 H144 Fe12 N12 O54 -","2","0.166667","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.0674","0.0593","","","0.1388","0.1427","","","","","","1.189","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216218","37.09","0.02","11.39","0.007","29.307","0.016","90","","90.01","0.001","90","","12381","12","113","2","386","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Fe10 N6 O34 -","- C42 H78 Fe10 N6 O34 -","- C336 H624 Fe80 N48 O272 -","8","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1286","0.0991","","","0.1801","0.2036","","","","","","1.005","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216219","11.154","0.002","29.642","0.006","21.965","0.004","90","","104.05","0.03","90","","7045","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H87 Cl4 Fe10 N7 O27 -","- C43 H84 Cl4 Fe10 N7 O27 -","- C172 H336 Cl16 Fe40 N28 O108 -","4","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1104","0.0811","","","0.2013","0.2186","","","","","","1.098","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216220","11.597","0.004","22.299","0.007","13.655","0.005","90","","94.344","0.006","90","","3521","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl Fe N24 O14 -","- C18 H32 Cl Fe N24 O14 -","- C72 H128 Cl4 Fe4 N96 O56 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0751","0.0502","","","0.1376","0.1497","","","","","","0.993","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216221","13.4174","0.0006","18.1772","0.0007","22.334","0.0008","90","","90","","90","","5447.1","0.4","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Fe K N4 O14 -","- C22 H22 Fe K N4 O14 -","- C176 H176 Fe8 K8 N32 O112 -","8","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.085","0.0449","","","0.09","0.1041","","","","","","1.043","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216222","7.599","0.0005","11.7318","0.0007","16.7071","0.001","88.582","0.001","88.202","0.001","71.4","0.001","1410.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Fe N4 O11 -","- C28 H23 Fe N4 O11 -","- C56 H46 Fe2 N8 O22 -","2","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0543","0.0435","","","0.1233","0.1298","","","","","","1.013","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216223","10.6758","0.0008","10.7457","0.0008","10.8774","0.0009","113.219","0.008","109.138","0.007","99.294","0.006","1020.84","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0877","0.0498","","","0.1086","0.1294","","","","","","1.02","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216224","14.7637","0.0012","20.5458","0.0015","9.5211","0.0008","90","","107.412","0.009","90","","2755.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Fe K N4 O14 -","- C22 H24 Fe K N4 O14 -","- C88 H96 Fe4 K4 N16 O56 -","4","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0381","0.0315","","","0.0771","0.0801","","","","","","1.03","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7216225","14.7204","0.0005","16.3987","0.0006","18.7939","0.0007","90","","103.259","0.001","90","","4415.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Fe K N4 O13 -","- C16 H18 Fe K N4 O13 -","- C128 H144 Fe8 K8 N32 O104 -","8","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0382","0.0339","","","0.0906","0.0932","","","","","","1.093","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216226","14.5197","0.001","12.4744","0.0008","9.3796","0.0007","90","","109.26","0.008","90","","1603.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Fe N6 O4 -","- C14 H9 Fe N6 O4 -","- C56 H36 Fe4 N24 O16 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0492","0.042","","","0.0862","0.0921","","","","","","1.012","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216227","7.6299","0.0006","8.1873","0.0007","10.0309","0.0009","107.527","0.008","100.261","0.007","95.27","0.007","580.85","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0434","0.0355","","","0.0889","0.094","","","","","","1.065","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216228","11.539","0.003","11.562","0.003","14.283","0.003","99.419","0.003","96.191","0.003","117.938","0.003","1623.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","1","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0896","0.0663","","","0.1852","0.2045","","","","","","1.019","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216229","7.999","0.01","11.703","0.005","17.386","0.002","104.387","0.002","98.557","0.002","96.306","0.002","1541","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 N7 O15 S Zn2 -","- C23 H31 N7 O15 S Zn2 -","- C46 H62 N14 O30 S2 Zn4 -","2","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0417","0.0368","","","0.0975","0.1008","","","","","","1.034","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216230","14.6517","0.0016","7.8277","0.0008","22.551","0.002","90","","90.01","0.02","90","","2586.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 N12 O17 Zn2 -","- C54 H38 N12 O17 Zn2 -","- C108 H76 N24 O34 Zn4 -","2","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0512","0.0393","","","0.115","0.1341","","","","","","1.075","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216231","10.426","0.005","18.99","0.01","11.711","0.006","90","","96.875","0.01","90","","2302","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N7 O7 Zn -","- C23 H15 N7 O7 Zn -","- C92 H60 N28 O28 Zn4 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0328","0.0297","","","0.0829","0.0851","","","","","","1.039","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216232","17.5405","0.0009","17.5405","0.0009","76.087","0.003","90","","90","","120","","20273.3","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1077","0.062","","","0.1614","0.1806","","","","","","0.952","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216233","17.6972","0.0011","17.6972","0.0011","76.397","0.005","90","","90","","120","","20721","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1139","0.0553","","","0.1475","0.168","","","","","","0.903","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216234","28.9159","0.0013","18.0006","0.0012","28.5482","0.0014","90","","110.501","0.005","90","","13918.3","1.4","126.1","0.3","126.1","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H4 Co8 K5 N36 O51 -","- C48 H4 Co8 K5 N36 O51 -","- C192 H16 Co32 K20 N144 O204 -","4","0.5","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1219","0.0785","","","0.227","0.2515","","","","","","0.971","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216235","6.966","0.003","10.138","0.002","13.113","0.003","70.48","0.02","86.08","0.03","71.43","0.03","826.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Ca Cl2 N12 O18 -","- C16 H32 Ca Cl2 N12 O18 -","- C16 H32 Ca Cl2 N12 O18 -","1","0.5","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.1379","0.074","","","0.181","0.226","","","","","","1.018","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216236","7.042","0.002","10.068","0.003","10.415","0.003","63.28","0.02","83.44","0.02","86.87","0.02","655.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H9 Ca Cl2 N3 O11 -","- C4 H9 Ca Cl2 N3 O11 -","- C8 H18 Ca2 Cl4 N6 O22 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0505","0.0435","","","0.1252","0.1367","","","","","","1.088","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216237","9.487","0.002","9.65","0.002","9.796","0.002","84.51","0.02","88.01","0.02","62.17","0.02","789.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Ca Cl2 N6 O4 -","- C8 H14 Ca Cl2 N6 O4 -","- C16 H28 Ca2 Cl4 N12 O8 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0741","0.0452","","","0.0893","0.1113","","","","","","1.092","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216238","21.7076","0.0009","21.7076","0.0009","59.216","0.004","90","","90","","90","","27904","2","100","2","100","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C72 H80 Ca4 Cl8 N24 O100 -","- C72 H88 Ca4 Cl N24 O60 -","- C576 H704 Ca32 Cl8 N192 O480 -","8","0.5","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.068","0.0597","","","0.1704","0.1748","","","","","","1.049","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216239","12.2222","0.0005","12.6202","0.0003","12.6332","0.0003","103.712","0.001","109.206","0.001","108.164","0.001","1618.41","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H80 Ca2 Cl4 N12 O34 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","1","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.044","0.0409","","","0.1178","0.1215","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216240","12.298","","8.762","","19.691","","90","","102.16","","90","","2074.2","","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H56 Ca2 N6 O32 P2 -","- C18 H24 Ca2 N6 O32 P2 -","- C36 H48 Ca4 N12 O64 P4 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0453","0.0437","","","0.1262","0.129","","","","","","1.068","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216241","7.673","0.006","13.318","0.011","16.25","0.014","90","","90","","90","","1661","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","COCRYSTAL 1","","","- C12 H13 Cl N6 O5 S2 -","- C12 H13 Cl N6 O5 S2 -","- C48 H52 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.112","0.0538","","","0.0996","0.1215","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216242","7.5201","0.0011","18.295","0.003","17.782","0.003","90","","93.534","0.009","90","","2441.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","COCRYSTAL 5","","","- C22 H22 Cl N6 O5 S2 -","- C22 H22 Cl N6 O5 S2 -","- C88 H88 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1023","0.0481","","","0.0986","0.1148","","","","","","0.939","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216243","10.676","0.002","23.734","0.005","8.556","0.0016","90","","95.786","0.008","90","","2156.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","COCRYSTAL 6","","","- C19 H20 Cl N5 O4 S2 -","- C19 H20 Cl N5 O4 S2 -","- C76 H80 Cl4 N20 O16 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1882","0.0673","","","0.0858","0.1114","","","","","","1.017","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216244","11.2718","0.0014","26.189","0.003","21.16","0.003","90","","93.349","0.009","90","","6235.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HCTEN","","","- C31 H32 Cl N7 O4 S2 -","- C31 H28 Cl N7 O4 S2 -","- C248 H224 Cl8 N56 O32 S16 -","8","2","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.2088","0.0912","","","0.2063","0.2664","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216245","9.0139","0.0003","21.2524","0.0008","22.2753","0.0008","90","","90","","90","","4267.2","0.3","120","0.2","120","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","disodium guanosine-5-phosphate heptahydrate","","- C10 H26 N5 Na2 O15 P -","- C10 H26 N5 Na2 O15 P -","- C80 H208 N40 Na16 O120 P8 -","8","2","","Dračínský, Martin; Šála, Michal; Hodgkinson, Paul","Dynamics of water molecules and sodium ions in solid hydrates of nucleotides","CrystEngComm","2014","16","29","6756","","10.1039/c4ce00727a","","","0.71073","MoKα","","0.116","0.0794","","","0.1792","0.2118","","","","","","1.029","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216246","17.125","0.003","14.6887","0.0018","7.0147","0.0011","90","","93.338","0.016","90","","1761.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1248","0.1007","","","0.2267","0.2412","","","","","","0.996","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216247","6.8774","0.0005","14.6409","0.0014","15.1569","0.0012","70.775","0.008","89.447","0.006","83.841","0.007","1432.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 N4 O5 P S2 -","- C26 H31 N4 O5 P S2 -","- C52 H62 N8 O10 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0695","0.052","","","0.1332","0.1447","","","","","","1.04","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216248","8.5874","0.0007","11.9114","0.0014","12.8574","0.0015","98.428","0.01","109.104","0.009","96.547","0.008","1210.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Cl N4 O3 P S2 -","- C19 H24 Cl N4 O3 P S2 -","- C38 H48 Cl2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0583","0.0463","","","0.1191","0.1261","","","","","","1.05","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216249","8.5957","0.0013","11.821","0.002","12.807","0.002","98.558","0.015","108.643","0.015","97.79","0.015","1195.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Br N4 O3 P S2 -","- C19 H24 Br N4 O3 P S2 -","- C38 H48 Br2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.048","0.0424","","","0.1101","0.1141","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216250","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0567","0.0436","","","0.0955","0.1001","","","","","","1.104","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216251","25.4932","0.0013","8.2482","0.0005","25.1957","0.0014","90","","101.28","0.004","90","","5195.6","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Br2 N4 O3.5 P S2 -","- C20 H26 Br2 N4 O3.5 P S2 -","- C160 H208 Br16 N32 O28 P8 S16 -","8","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0821","0.0546","","","0.1208","0.1318","","","","","","1.027","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216268","10.484","0.0002","19.531","0.0005","31.33","0.001","90","","93.382","0.0009","90","","6404.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H51.5 Cu N9.5 O12 -","- C47 H29 Cu N5 O3 -","- C188 H116 Cu4 N20 O12 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.1044","0.0703","","","0.1712","0.179","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216269","16.188","0.0004","19.606","0.0005","18.203","0.0005","90","","109.438","0.001","90","","5448","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 N8 O10 Zn -","- C65 H46 N8 O10 Zn -","- C260 H184 N32 O40 Zn4 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.0733","0.0471","","","0.1158","0.1307","","","","","","1.006","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216270","14.391","0.003","20.228","0.004","9.782","0.002","90","","91.96","0.03","90","","2845.9","1","293","2","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","4,4-bis(4-hydroxyphenyl)cyclohexanone","4,4-bis(4-hydroxyphenyl)cyclohexanone","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.0421","0.0373","","","0.076","0.0779","","","","","","1.054","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216271","10.004","0.002","15.783","0.003","20.253","0.004","90","","94.79","0.03","90","","3186.6","1.1","293","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.1081","0.0697","","","0.1138","0.1263","","","","","","1.165","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216272","9.572","0.002","10.424","0.002","10.977","0.002","71.27","0.005","66.062","0.004","63.155","0.004","880.3","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","Rhodium(II) benzoate pyrazine","","","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1047","0.0694","","","0.2009","0.2197","","","","","","1.14","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216273","9.588","0.002","10.322","0.003","10.861","0.003","72.139","0.005","64.783","0.005","62.722","0.005","856","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","rhodium benzoate pyrazine","","","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1149","0.0706","","","0.1725","0.2139","","","","","","1.018","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216274","11.3947","0.0002","15.7982","0.0004","18.4861","0.0005","91.028","0.001","99.107","0.001","93.377","0.002","3278.88","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C156 H174 N6 O6 -","6","3","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.7107","MoKα","","0.157","0.0671","","","0.2034","0.2601","","","","","","1.016","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216275","8.7451","0.0017","11.472","0.002","12.336","0.003","100.72","0.03","96.13","0.03","111.23","0.03","1112.8","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.71073","MoKα","","0.0919","0.0588","","","0.1382","0.159","","","","","","1.032","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216276","19.763","0.009","13.835","0.004","10.175","0.004","90","","90","","90","","2782.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Phenyl imidazolium hydrogen cyclobutane-1,1-dicarboxylate 1","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0773","0.0438","","","0.0963","0.1069","","","","","","0.952","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216277","7.231","0.002","8.296","0.004","9.235","0.004","115.97","0.03","102.84","0.03","91.74","0.03","480.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","imidazolium hydrogen malonate 2","","","- C6 H7 N2 O5.57 -","- C6 H7 N2 O5.57 -","- C12 H14 N4 O11.14 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.1112","0.1053","","","0.2814","0.2902","","","","","","1.073","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216278","9.639","0.002","5.083","0.003","23.066","0.006","90","","106.817","0.019","90","","1081.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / succinic acid (1:1) cocrystal 3","","","- C11 H9.5 N2 O4 -","- C11 H9.5 N2 O4 -","- C44 H38 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0869","0.0499","","","0.1344","0.1454","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216279","10.157","0.004","5.13","0.007","26.067","0.006","90","","90.98","0.04","90","","1358","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / isophthalic acid (1:1) cocrystal 4","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C60 H40 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0929","0.0741","","","0.1925","0.2045","","","","","","1.042","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216280","3.824","0.001","9.108","0.001","22.252","0.002","90","","91.263","0.005","90","","774.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-formylcoumarin","4-formylcoumarin","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1192","0.0592","","","0.149","0.1762","","","","","","1.025","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216281","7.098","0.001","8.58","0.001","14.328","0.002","90","","97.913","0.005","90","","864.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Chloro-4-formylcoumarin","6-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0392","0.0281","","","0.0756","0.0808","","","","","","1.043","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216282","7.984","0.002","5.939","0.001","18.452","0.002","90","","101.333","0.005","90","","857.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-Chloro-4-formylcoumarin","7-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1763","0.0582","","","0.1091","0.1393","","","","","","1.004","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216283","8.122","0.001","10.216","0.001","10.709","0.002","90","","92.753","0.005","90","","887.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-bromo-4-formylcoumarin","7-bromo-4-formylcoumarin","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C40 H20 Br4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0698","0.0417","","","0.1035","0.1124","","","","","","1.026","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216284","6.115","0.002","8.082","0.002","16.33","0.005","90","","94.23","0.01","90","","804.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Fluoro-4-formylcoumarin","6-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1088","0.0597","","","0.1563","0.1782","","","","","","1.046","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216285","5.746","0.001","8.552","0.001","9.212","0.002","113.792","0.003","102.163","0.003","93.126","0.003","399.95","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","7-Fluoro-4-formylcoumarin","7-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C20 H10 F2 O6 -","2","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","x-ray","0.71073","MoKα","","0.1256","0.0585","","","0.1391","0.1611","","","","","","1.01","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216286","9.6509","0.0012","16.0236","0.0019","21.118","0.003","110.872","0.002","95.888","0.003","97.949","0.002","2981.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H88.5 N1.5 O6 -","- C69 H88.5 N1.5 O6 -","- C138 H177 N3 O12 -","2","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.2246","0.0614","","","0.1074","0.1658","","","","","","0.835","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216287","13.938","0.0009","16.9178","0.0011","27.9606","0.0018","90","","99.621","0.002","90","","6500.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 N2 O6 -","- C70 H90 N2 O6 -","- C280 H360 N8 O24 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.156","0.0606","","","0.1304","0.1945","","","","","","1.038","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216288","38.419","0.002","21.8067","0.0014","21.1486","0.0013","90","","92.251","0.002","90","","17704.4","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H124 N4 O8 -","- C95.995 H121 N4 O8 -","- C767.96 H968 N32 O64 -","8","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.1669","0.0694","","","0.1635","0.2365","","","","","","1.041","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216289","20.1552","0.0009","22.9575","0.001","19.7543","0.0009","90","","112.455","0.002","90","","8447.5","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H118 N2 O8 -","- C91 H112 N1.5 O8 -","- C364 H448 N6 O32 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.0831","0.0568","","","0.1629","0.1783","","","","","","1.134","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216290","6.3603","0.0001","7.8252","0.0002","23.533","0.0005","90","","90","","90","","1171.25","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","Mo-Kα","","0.055","0.038","","0.064","","0.056","","","1.248","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216291","7.7049","0.0003","6.3055","0.0004","12.133","0.0008","90","","98.964","0.004","90","","582.26","0.06","173","","","","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","MoKα","","0.0541","0.039","","","0.0816","0.0882","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216292","12.4638","0.0012","11.6208","0.0012","26.636","0.003","90","","90","","90","","3857.9","0.7","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N5 O2 -","- C21 H19 N5 O2 -","- C168 H152 N40 O16 -","8","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.1009","0.0524","","","0.1343","0.1658","","","","","","1.038","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216293","8.7863","0.0006","8.9879","0.0006","12.6434","0.0009","96.415","0.001","90.783","0.001","108.94","0.001","937.16","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C40 H44 N8 O4 -","2","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.0644","0.051","","","0.1485","0.1556","","","","","","1.002","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216294","19.075","0.0018","19.075","0.0018","8.537","0.0008","90","","90","","90","","3106.2","0.5","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H17 N O2.25 -","- C18 H17 N O2.25 -","- C144 H136 N8 O18 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0779","0.0623","","","0.1632","0.1793","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216295","21.3642","0.0006","18.856","0.0009","8.7764","0.0006","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0782","0.0782","","","0.2078","0.2078","","","","","","1.344","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216296","16.758","0.004","11.135","0.003","17.341","0.004","90","","100.395","0.003","90","","3182.7","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N2 O6.5 -","- C14 H14 Cu N2 O6.5 -","- C112 H112 Cu8 N16 O52 -","8","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0842","0.0641","","","0.1501","0.1562","","","","","","1.223","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216297","7.942","0.003","9.106","0.003","10.593","0.003","109.296","0.004","99.716","0.004","101.034","0.004","687.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O4 Zn -","- C14 H14 N2 O4 Zn -","- C28 H28 N4 O8 Zn2 -","2","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0733","0.0582","","","0.1338","0.1402","","","","","","0.977","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216298","10.329","0.002","29.76","0.006","14.688","0.003","90","","108.28","0.03","90","","4287.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H48 N11 O16 Ru2 Sm -","- C27 H16 N11 O16 Ru2 Sm -","- C108 H64 N44 O64 Ru8 Sm4 -","4","1","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.","The crystal structure of [Sm(H2O)5][Ru2(bpy)2(CN)7]�11H2O, a novel mixed d?f coordination polymer","CrystEngComm","2003","5","88","495","","10.1039/b313122j","","","0.71073","MoKα","","0.0692","0.0596","","","0.1432","0.15","","","","","","1.141","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216299","11.011","0.003","13.105","0.003","6.789","0.001","90","","103.57","0.04","90","","952.3","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Fluorene-tetracianoquinodimethane complex","","","- C25 H14 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","0.25","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.0645","0.0582","","","0.1668","0.1726","","","","","","1.009","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216300","7.416","0.009","8.074","0.009","8.118","0.009","106.13","0.02","93.94","0.02","91.53","0.02","465.3","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","Fluorene-tetracyanobenzene complex","","","- C23 H12 N4 -","- C23 H10 N4 -","- C23 H10 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71073","MoKα","","0.186","0.1381","","","0.35","0.3893","","","","","","1.025","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216301","7.183","0.004","7.3","0.004","8.194","0.005","95.24","0.01","94.27","0.01","114.63","0.01","385.9","0.4","293","","293","2","","","","","","","","3","P -1","-P 1","2","Fluorene-Tetracyanoethilene complex","","","- C19 H10 N4 -","- C19 H8 N4 -","- C19 H8 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.1857","0.1203","","","0.2895","0.3342","","","","","","1.084","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216302","13.683","0.004","13.897","0.004","14.413","0.005","64.7","0.03","82.12","0.02","67.52","0.03","2288.4","1.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30.5 Br8 F1.5 N4 -","- C49.5 H30.5 Br8 F1.5 N4 -","- C99 H61 Br16 F3 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Analysis of pi?halogen dimer interactions present in a family of staircase inclusion compounds","CrystEngComm","2003","5","75","422","","10.1039/b312062g","","","0.71073","MoKα","","","0.055","","","","0.06","","","","","","1.64","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216303","11.474","0.0011","11.5821","0.0014","10.965","0.0014","90","","106.67","0.018","90","","1395.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl Cu N2 O4 -","- C28 H24 Cl2 Cu2 N4 O8 -","- C56 H48 Cl4 Cu4 N8 O16 -","2","0.25","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0617","0.0467","","","0.1147","0.1221","","","","","","0.99","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216304","6.9874","0.001","11.7096","0.0019","11.8247","0.0017","112.339","0.017","96.728","0.017","102.93","0.018","850","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","1","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0525","0.0328","","","0.08","0.0879","","","","","","0.785","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216305","6.9688","0.0011","10.6469","0.0014","8.8115","0.0014","90","","109.047","0.018","90","","617.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0589","0.0371","","","0.0926","0.0983","","","","","","0.884","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216306","12.893","0.005","11.621","0.004","19.044","0.007","90","","90","","90","","2853.4","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B Cu F4 N2 S2 -","- C8 H14 B Cu F4 N2 S2 -","- C64 H112 B8 Cu8 F32 N16 S16 -","8","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.04","0.029","","","0.0941","0.1057","","","","","","0.815","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216307","6.671","0.002","16.939","0.008","12.941","0.004","90","","93.88","0.03","90","","1459","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 B2 Cu2 F8 N4 S4 -","- C16 H28 B2 Cu2 F8 N4 S4 -","- C32 H56 B4 Cu4 F16 N8 S8 -","2","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.7107","MoKα","","0.0451","0.0395","","","0.1021","0.1057","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216308","6.6496","0.0008","14.856","0.0017","17.325","0.002","90","","90","","90","","1711.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B Cu F4 N S4 -","- C10 H19 B Cu F4 N S4 -","- C40 H76 B4 Cu4 F16 N4 S16 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0493","0.0394","","","0.1091","0.1161","","","","","","0.848","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216309","12.1164","0.0017","16.379","0.002","19.486","0.003","90","","90","","90","","3867.1","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C76 H140 B12 Cl8 Cu12 F48 N12 S24 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0974","0.0572","","","0.142","0.1621","","","","","","1.028","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7216310","12.068","0.0002","15.433","0.0004","12.198","0.0003","90","","116.816","0.001","90","","2027.51","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Br N6 Ni O4 S2 -","- C14 H21 Br N6 Ni O4 S2 -","- C56 H84 Br4 N24 Ni4 O16 S8 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.0815","0.0527","","","0.1356","0.149","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216311","22.503","0.0013","9.465","0.0008","15.654","0.0012","90","","129.956","0.003","90","","2555.8","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 Br N6 O5 S2 Zn -","- C18 H31 Br N6 O5 S2 Zn -","- C72 H124 Br4 N24 O20 S8 Zn4 -","4","0.5","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.1284","0.0934","","","0.2183","0.2359","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216312","10.726","0.002","9.0275","0.0013","18.333","0.007","90","","97.24","0.02","90","","1761","0.8","293","2","293","2","","","","","","","From LKF","6","P 1 21/a 1","-P 2yab","14","benzthiazide-anhydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide","","- C15 H14 Cl N3 O4 S3 -","- C15 H14 Cl N3 O4 S3 -","- C60 H56 Cl4 N12 O16 S12 -","4","1","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","0.71069","MoKα","","0.064","0.0589","","0.1701","0.1642","","","","1.077","1.113","1.113","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216313","12.243","0.002","4.905","0.002","31.957","0.003","90","","96.34","0.03","90","","1907.3","0.9","293","2","293","2","","","","","","","From LKF","6","P 1 21 1","P 2yb","4","benzthiazide-monohydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide monohydrate","","- C15 H16 Cl N3 O5 S3 -","- C15 H16 Cl N3 O5 S3 -","- C60 H64 Cl4 N12 O20 S12 -","4","2","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","1.54178","CuKα","","0.1084","0.055","","","0.1239","0.1443","","","","","","0.883","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216314","13.1148","0.0008","4.6992","0.0002","12.8071","0.0005","90","","107.9","0.001","90","","751.08","0.06","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Li O4 -","- C7 H7 Li O4 -","- C28 H28 Li4 O16 -","4","1","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium salicylate monohydrate: A layer structure with carboxylate-bridged ?- and ?-[(H2O)Li+]? helices","CrystEngComm","2003","5","90","503","","10.1039/b312892j","","","0.71073","MoKα","","0.0481","0.0438","","","0.1145","0.1185","","","","","","1.044","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216315","3.8233","0.0007","8.6525","0.0015","17.748","0.003","90","","91.562","0.004","90","","586.91","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-(bis(mu-chloro)-bis(pyridine)-cadmium(ii)) (Compound 1)","catena-[bis(μ-chloro)-bis(pyridine)-cadmium(ii)] (Compound 1)","","- C10 H10 Cd Cl2 N2 -","- C10 H10 Cd Cl2 N2 -","- C20 H20 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0274","0.0219","","","0.0483","0.0496","","","","","","1.04","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216316","8.649","0.003","18.159","0.007","3.9182","0.0014","90","","90","","90","","615.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","catena-(bis(mu-bromo)-bis(pyridine)-cadmium(ii)) (Compound 2)","catena-[bis(μ-bromo)-bis(pyridine)-cadmium(ii)] (Compound 2)","","- C10 H10 Br2 Cd N2 -","- C10 H10 Br2 Cd N2 -","- C20 H20 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0461","0.0357","","","0.0816","0.0853","","","","","","1.111","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216317","8.848","0.004","17.79","0.007","18.666","0.008","90","","90","","90","","2938","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, RT dataset, 3a)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, RT dataset, 3a)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0851","0.0401","","","0.0755","0.0886","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216318","8.7603","0.0019","17.436","0.004","18.581","0.004","90","","90","","90","","2838.1","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, 120K dataset, 3b)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, 120K dataset, 3b)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0395","0.0317","","","0.0788","0.082","","","","","","1.138","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216319","3.8116","0.0005","14.2606","0.0019","11.989","0.0016","90","","91.767","0.004","90","","651.36","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-chloropyridine)-cadmium(ii)) (Compound 4)","catena-[bis(μ-chloro)-bis(3-chloropyridine)-cadmium(ii)] (Compound 4)","","- C10 H8 Cd Cl4 N2 -","- C10 H8 Cd Cl4 N2 -","- C20 H16 Cd2 Cl8 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0557","0.0463","","","0.1006","0.1044","","","","","","1.188","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216320","3.9079","0.001","14.392","0.004","12.238","0.003","90","","90.895","0.007","90","","688.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 5)","catena-[bis(μ-bromo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 5)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0725","0.0509","","","0.0817","0.0877","","","","","","1.085","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216321","4.1332","0.0018","14.45","0.006","12.977","0.006","90","","89.63","0.01","90","","775","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 6)","catena-[bis(μ-iodo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 6)","","- C10 H8 Cd Cl2 I2 N2 -","- C10 H8 Cd Cl2 I2 N2 -","- C20 H16 Cd2 Cl4 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0303","0.0266","","","0.0587","0.0603","","","","","","1.097","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216322","3.8538","0.0008","14.404","0.003","12.082","0.002","90","","91.377","0.005","90","","670.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-bromopyridine)-cadmium(ii)) (Compound 7)","catena-[bis(μ-chloro)-bis(3-bromopyridine)-cadmium(ii)] (Compound 7)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.041","0.0294","","","0.0621","0.0658","","","","","","0.987","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216323","3.9452","0.0014","14.578","0.005","12.286","0.004","90","","91.029","0.008","90","","706.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 8)","catena-[bis(μ-bromo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 8)","","- C10 H8 Br4 Cd N2 -","- C10 H8 Br4 Cd N2 -","- C20 H16 Br8 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.027","0.0232","","","0.0539","0.0554","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216324","4.1429","0.0007","14.657","0.003","12.946","0.002","90","","90.162","0.004","90","","786.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 9)","catena-[bis(μ-iodo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 9)","","- C10 H8 Br2 Cd I2 N2 -","- C10 H8 Br2 Cd I2 N2 -","- C20 H16 Br4 Cd2 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0302","0.0274","","","0.0629","0.0637","","","","","","1.103","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216325","3.8726","0.0005","14.613","0.002","11.8992","0.0017","90","","92.449","0.003","90","","672.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-methylpyridine)-cadmium(ii)) (Compound 10)","catena-[bis(μ-chloro)-bis(3-methylpyridine)-cadmium(ii)] (Compound 10)","","- C12 H14 Cd Cl2 N2 -","- C12 H14 Cd Cl2 N2 -","- C24 H28 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0443","0.0301","","","0.0638","0.0678","","","","","","1.012","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216326","3.98","0.0006","14.738","0.002","12.1051","0.0017","90","","91.971","0.003","90","","709.63","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 11)","catena-[bis(μ-bromo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 11)","","- C12 H14 Br2 Cd N2 -","- C12 H14 Br2 Cd N2 -","- C24 H28 Br4 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0385","0.0284","","","0.064","0.0672","","","","","","1.001","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216327","9.6737","0.0015","15.49","0.002","11.392","0.0019","90","","100.329","0.003","90","","1679.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, RT dataset, 12a)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, RT dataset, 12a)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.049","0.0369","","","0.092","0.0978","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216328","9.5708","0.0015","15.222","0.002","11.348","0.0018","90","","100.122","0.003","90","","1627.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, 120K dataset, 12b)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, 120K dataset, 12b)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0261","0.0222","","","0.0506","0.0521","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216329","11.796","0.003","12.084","0.003","3.7716","0.0009","90","","90","","90","","537.6","0.2","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-chloro)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 13, 120K data)","net-[bis(μ-chloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 120K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0424","0.026","","","0.0586","0.0643","","","","","","1.116","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216330","11.749","0.005","12.067","0.005","3.7748","0.0014","90","","90","","90","","535.2","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, RT data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.043","0.0254","","","0.059","0.0665","","","","","","1.079","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216331","11.753","0.002","12.107","0.003","3.7959","0.0008","90","","90","","90","","540.1","0.2","450","2","450","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 450K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0507","0.0263","","","0.0563","0.0635","","","","","","1.077","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216332","11.7966","0.0014","12.5019","0.0015","3.8851","0.0005","90","","90","","90","","572.97","0.12","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-bromo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 14, 120K data)","net-[bis(μ-bromo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 120K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0714","0.0347","","","0.0772","0.0922","","","","","","1.047","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216333","11.7857","0.001","12.5282","0.001","3.9105","0.0003","90","","90","","90","","577.4","0.08","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-beomo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 293K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0625","0.0287","","","0.0597","0.0702","","","","","","1.015","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216334","11.8081","0.0012","13.0971","0.0013","4.1423","0.0004","90","","90","","90","","640.61","0.11","120","2","120","2","","","","","","","","5","C m m m","-C 2 2","65","net-(bis(mu-iodo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 15, 120K data)","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 120K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0246","0.0201","","","0.0445","0.0462","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216335","11.837","0.002","13.138","0.003","4.155","0.0008","90","","90","","90","","646.2","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 150K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0582","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216336","11.83","0.002","13.138","0.002","4.1569","0.0008","90","","90","","90","","646.08","0.19","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 180K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0328","0.0268","","","0.063","0.065","","","","","","1.052","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216337","11.822","0.002","13.135","0.002","4.1591","0.0008","90","","90","","90","","645.83","0.19","210","2","210","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 210K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0331","0.0254","","","0.0581","0.0609","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216338","11.83","0.002","13.15","0.002","4.1667","0.0008","90","","90","","90","","648.19","0.19","240","2","240","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 240K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0374","0.029","","","0.0643","0.0687","","","","","","1.059","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216339","11.792","0.002","13.118","0.003","4.1585","0.0009","90","","90","","90","","643.3","0.2","270","2","270","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 270K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0362","0.0281","","","0.0625","0.0658","","","","","","1.101","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216340","11.828","0.0011","13.1531","0.0011","4.1751","0.0004","90","","90","","90","","649.54","0.1","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 293K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0418","0.0287","","","0.0538","0.0559","","","","","","1.217","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216341","10.3636","0.0009","12.2034","0.0011","14.0163","0.0012","89.208","0.002","73.739","0.001","75.875","0.001","1647.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Co N4 O8 -","- C40 H26 Co N4 O8 -","- C80 H52 Co2 N8 O16 -","2","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0621","0.0439","","","0.111","0.1297","","","","","","1.003","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216342","19.7798","0.0006","12.5466","0.0011","25.8545","0.0006","90","","110.619","0.003","90","","6005.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Co2 N4 O8 -","- C34 H20 Co2 N4 O8 -","- C272 H160 Co16 N32 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0674","0.0433","","","0.1093","0.1228","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216343","14.649","0.002","13.47","0.002","24.399","0.004","90","","106.607","0.003","90","","4613.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N8 Ni O9 -","- C50 H42 N8 Ni O9 -","- C200 H168 N32 Ni4 O36 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0601","0.0409","","","0.0976","0.1079","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216344","33.6935","0.0018","11.1225","0.0006","27.5859","0.0014","90","","114.027","0.001","90","","9442.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Co2 N8 O8 -","- C58 H38 Co2 N8 O8 -","- C464 H304 Co16 N64 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0726","0.0441","","","0.1063","0.124","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216345","7.7686","0.0011","13.6512","0.0007","19.8766","0.0011","99.25","0.003","94.563","0.003","97.512","0.003","2051.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","1","0.5","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0836","0.0508","","","0.137","0.1621","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216346","15.591","0.003","16.362","0.003","21.032","0.003","90","","120.491","0.005","90","","4623.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Co2 N8 O10 -","- C50 H42 Co2 N8 O10 -","- C200 H168 Co8 N32 O40 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.151","0.0661","","","0.131","0.1626","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216347","7.9663","0.0009","11.4723","0.0013","14.0805","0.0017","90","","90","","90","","1286.8","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Ag O6 P -","- C14 H10 Ag O6 P -","- C56 H40 Ag4 O24 P4 -","4","0.5","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0293","0.0277","","","0.0807","0.082","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216348","18.151","0.003","26.476","0.004","5.9595","0.001","90","","90","","90","","2863.9","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H8 Ag3 O6 P -","- C14 H8 Ag3 O6 P -","- C112 H64 Ag24 O48 P8 -","8","1","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0195","0.019","","","0.0534","0.0538","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216349","14.904","0.004","14.159","0.003","21.949","0.005","90","","99.879","0.003","90","","4563.1","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H106 N10 O9 Zn2 -","- C98 H98 N10 O8 Zn2 -","- C196 H196 N20 O16 Zn4 -","2","1","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1002","0.0787","","","0.2032","0.2271","","","","","","1.021","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216350","10.372","0.007","22.684","0.014","18.375","0.011","90","","104.44","0.01","90","","4187","5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 N5 O3 Zn -","- C45 H39 N5 O3 Zn -","- C180 H156 N20 O12 Zn4 -","4","2","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1955","0.1136","","","0.2384","0.299","","","","","","1.046","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216351","11.019","0.002","12.676","0.003","21.167","0.004","90","","98.13","0.03","90","","2926.8","1.1","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 As3 Co N9 O10 -","- C24 H23.858 As3 Co N9 O10 -","- C96 H95.432 As12 Co4 N36 O40 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0298","0.0259","","","0.0681","0.07","","","","","","1.055","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216352","20.454","0.004","7.7512","0.0016","8.4433","0.0017","90","","102.15","0.03","90","","1308.6","0.5","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H11 As Cl Cu N3 O5 -","- C8 H7 As Cl Cu N3 O5 -","- C32 H28 As4 Cl4 Cu4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.05","","","0.1663","0.1736","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216353","8.5378","0.0017","17.151","0.003","12.69","0.003","90","","96.98","0.03","90","","1844.4","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Mn N6 O6 -","- C16 H14 As2 Mn N6 O6 -","- C64 H56 As8 Mn4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0296","0.0257","","","0.0598","0.0615","","","","","","1.037","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216354","8.6818","0.0005","17.1961","0.0009","12.8662","0.0007","90","","96.906","0.001","90","","1906.9","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Cd N6 O6 -","- C16 H14 As2 Cd N6 O6 -","- C64 H56 As8 Cd4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0221","0.0206","","","0.0513","0.0524","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216355","6.012","0.0009","21.594","0.003","8.9646","0.0009","90","","126.135","0.007","90","","939.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 As N3 O3 -","- C8 H8 As N3 O3 -","- C32 H32 As4 N12 O12 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.0593","","","0.1344","0.1348","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216356","20.875","0.004","7.6129","0.0015","8.5776","0.0017","90","","101.41","0.03","90","","1336.2","0.5","150","2","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H7 As Cl Co N3 O5 -","- C8 H7 As Cl Co N3 O5 -","- C32 H28 As4 Cl4 Co4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0366","0.0365","","","0.1015","0.1016","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216357","8.5117","0.0003","15.9674","0.0005","20.4293","0.0006","90","","97.588","0.002","90","","2752.23","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zn","","","- C52 H52 Cl6 N4 O8 Zn2 -","- C52 H52 Cl6 N4 O8 Zn2 -","- C104 H104 Cl12 N8 O16 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","","","0.0763","0.0518","","","0.1497","0.1617","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216358","17.5218","0.0008","16.1106","0.0007","20.7074","0.0009","90","","100.232","0.003","90","","5752.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Cl6 N4 O10 Zn2 -","- C56 H60 Cl6 N4 O10 Zn2 -","- C224 H240 Cl24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2352","0.0697","","","0.121","0.1682","","","","","","0.938","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216359","8.4959","0.0001","16.3216","0.0002","20.7112","0.0003","90","","97.903","0.001","90","","2844.68","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 Br6 N4 O9 Zn2 -","- C53 H52 Br6 N4 O9 Zn2 -","- C106 H104 Br12 N8 O18 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2136","0.0703","","","0.1362","0.1776","","","","","","0.966","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216360","17.5924","0.0002","16.3095","0.0002","21.257","0.0002","90","","100.799","0.001","90","","5991.12","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Br6 N4 O10 Zn2 -","- C56 H60 Br6 N4 O10 Zn2 -","- C224 H240 Br24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0992","0.047","","","0.0947","0.1104","","","","","","1.041","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216361","11.1323","0.0002","20.1613","0.0003","28.3599","0.0005","91.835","0.001","100.902","0.001","92.955","0.001","6236.29","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H67.5 Br4 Cd Cl1.5 N4 O12 -","- C58 H64.5 Br4 Cd Cl1.5 N4 O12 -","- C232 H258 Br16 Cd4 Cl6 N16 O48 -","4","2","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2281","0.0824","","","0.1918","0.2483","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216362","18.905","0.0002","17.3064","0.0001","31.5699","0.0003","90","","90","","90","","10329","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Br4 Cd N4 O10 -","- C48 H56 Br4 Cd N4 O10 -","- C384 H448 Br32 Cd8 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.097","0.042","","","0.0729","0.0878","","","","","","1.005","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216363","11.3078","0.0004","11.4735","0.0004","15.1493","0.0005","69.17","0.002","77.757","0.002","72.357","0.002","1738.56","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0657","0.0373","","","0.0894","0.1","","","","","","1.074","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216364","18.7667","0.0002","18.3528","0.0002","31.9417","0.0004","90","","90","","90","","11001.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cd I4 N4 O10 -","- C48 H56 Cd I4 N4 O10 -","- C384 H448 Cd8 I32 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1779","0.082","","","0.1412","0.1701","","","","","","1.016","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216365","9.8203","0.0001","11.5983","0.0002","12.8782","0.0002","94.835","0.001","106.333","0.001","103.139","0.001","1353.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0275","0.0226","","","0.0479","0.0495","","","","","","1.011","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216366","10.9943","0.0002","15.1689","0.0002","15.5408","0.0003","111.58","0.001","101.951","0.001","104.728","0.001","2196.87","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H80 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1136","0.0476","","","0.0584","0.0692","","","","","","1.066","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216367","10.039","0.001","11.7664","0.0012","13.0968","0.0013","93.757","0.006","106.866","0.006","105.202","0.007","1411.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1297","0.084","","","0.252","0.291","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216368","11.3555","0.0002","12.1082","0.0002","14.2423","0.0003","103.372","0.001","97.008","0.001","115.665","0.001","1661.16","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H72 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.034","0.0302","","","0.1145","0.1197","","","","","","1.009","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216369","10.2446","0.0009","16.4684","0.0014","14.9546","0.0013","90","","90","","90","","2523","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd I4 N4 -","- C20 H16 Cd I4 N4 -","- C80 H64 Cd4 I16 N16 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1342","0.0418","","","0.0893","0.1345","","","","","","0.555","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216370","28.1847","0.0003","9.0482","0.0001","14.2578","0.0002","90","","98.699","0.001","90","","3594.21","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 I6 N4 O3 Zn2 -","- C23 H25 I6 N4 O3 Zn2 -","- C92 H100 I24 N16 O12 Zn8 -","4","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0846","0.0678","","","0.1323","0.1411","","","","","","1.069","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216371","13.4688","0.0012","13.4688","0.0012","10.4961","0.0013","90","","90","","120","","1649","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","1","0.166667","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0791","0.0478","","","0.0919","0.1039","","","","","","1.025","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216372","12.608","0.002","13.831","0.003","17.334","0.002","90","","119.575","0.009","90","","2628.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cu N4 O7 S -","- C26 H32 Cu N4 O7 S -","- C104 H128 Cu4 N16 O28 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0776","0.0515","","","0.1208","0.1366","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216373","9.144","0.004","9.914","0.004","10.981","0.005","113.235","0.006","104.079","0.007","92.301","0.007","876.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Co N4 O8 -","- C34 H36 Co N4 O8 -","- C34 H36 Co N4 O8 -","1","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0766","0.0633","","","0.1699","0.1833","","","","","","1.049","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216374","16.62","0.003","9.5294","0.0016","19.384","0.004","90","","104.236","0.005","90","","2975.7","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C116 H132 Co4 N28 O28 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0857","0.0715","","","0.2381","0.2543","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216375","16.651","0.005","9.66","0.003","19.921","0.007","90","","105.878","0.005","90","","3082","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cd N7 O7 -","- C29 H33 Cd N7 O7 -","- C116 H132 Cd4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0441","0.0353","","","0.0737","0.0774","","","","","","1.006","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216376","16.271","0.003","9.664","0.003","19.485","0.005","90","","103.811","0.006","90","","2975.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cu N7 O7 -","- C29 H33 Cu N7 O7 -","- C116 H132 Cu4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0777","0.0512","","","0.123","0.1367","","","","","","1.061","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216377","35.683","0.011","9.557","0.003","17.733","0.006","90","","99.261","0.004","90","","5969","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0548","0.0403","","","0.0937","0.1008","","","","","","1.039","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216378","35.711","0.003","9.0453","0.0007","19.2477","0.0015","90","","109.063","0.001","90","","5876.4","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H74 N2 O18 -","- C62 H74 N2 O18 -","- C248 H296 N8 O72 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0737","0.0577","","","0.149","0.1627","","","","","","1.027","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216379","15.4024","0.0018","18.32","0.002","18.45","0.002","90","","102.842","0.002","90","","5075.9","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 N2 O12 -","- C58 H66 N2 O12 -","- C232 H264 N8 O48 -","4","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.1627","0.0744","","","0.1411","0.174","","","","","","1.006","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216380","9.1552","0.0009","15.3084","0.0015","18.3015","0.0018","96.349","0.001","94.785","0.001","92.28","0.001","2537.3","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N4 O10 -","- C58 H64 N4 O10 -","- C116 H128 N8 O20 -","2","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0806","0.0508","","","0.1219","0.1442","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216381","24.293","0.003","10.7595","0.0013","18.361","0.002","90","","96.247","0.002","90","","4770.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 N2 O12 -","- C54 H58 N2 O12 -","- C216 H232 N8 O48 -","4","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0806","0.0627","","","0.1656","0.1808","","","","","","1.027","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216382","12.937","0.008","11.15","0.007","17.445","0.008","90","","126.8","0.03","90","","2015","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Co N6 O10 -","- C42 H46 Co N6 O10 -","- C84 H92 Co2 N12 O20 -","2","0.5","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1122","0.0694","","","0.1086","0.1213","","","","","","1.01","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216383","9.753","0.006","14.101","0.008","14.74","0.008","116.334","0.01","108.889","0.01","90.034","0.01","1693.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co N4 O8 -","- C36 H28 Co N4 O8 -","- C72 H56 Co2 N8 O16 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1734","0.1153","","","0.237","0.2598","","","","","","1.069","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216384","18.724","0.007","19.302","0.007","20.004","0.008","90","","90","","90","","7230","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H37 N5 O8 Zn -","- C39 H35 N5 O8 Zn -","- C312 H280 N40 O64 Zn8 -","8","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1127","0.0534","","","0.1175","0.1462","","","","","","1.004","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216385","16.982","0.004","10.725","0.002","22.521","0.004","90","","128.552","0.011","90","","3207.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Cd N5 O8 -","- C31 H33 Cd N5 O8 -","- C124 H132 Cd4 N20 O32 -","4","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.0465","0.0335","","","0.0779","0.0849","","","","","","1.027","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216386","11.473","0.003","11.473","0.003","19.268","0.005","90","","90","","120","","2196.4","1","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H30 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C84 H72 Co3 N12 O27 -","3","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1033","0.0778","","","0.2014","0.2195","","","","","","1.1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216387","9.779","0.004","13.952","0.006","21.144","0.009","92.178","0.009","96.238","0.009","109.309","0.008","2698","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O15 Zn2 -","- C56 H48 N8 O15 Zn2 -","- C112 H96 N16 O30 Zn4 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1358","0.0613","","","0.1176","0.1444","","","","","","1.018","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216388","19.088","0.005","4.672","0.003","12.691","0.005","90","","115.56","0.03","90","","1021","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 N4 O3 -","- C8 H18 N4 O3 -","- C32 H72 N16 O12 -","4","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0432","0.0372","","","0.1083","0.1116","","","","","","1.068","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216389","9.789","0.005","6.441","0.003","7.862","0.004","90","","112.18","0.05","90","","459","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O2 -","- C8 H16 N4 O2 -","- C16 H32 N8 O4 -","2","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0477","0.0434","","","0.13","0.1331","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216390","11.4423","0.0003","13.6677","0.0004","21.4571","0.0005","90","","107.676","0.001","90","","3197.25","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O9 Zn -","- C36 H28 N4 O9 Zn -","- C144 H112 N16 O36 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0459","0.0419","","","0.1001","0.1026","","","","","","1.136","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216391","7.3644","0.0018","20.505","0.005","18.269","0.004","90","","101.628","0.004","90","","2702.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O7 Zn -","- C30 H22 N4 O7 Zn -","- C120 H88 N16 O28 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1391","","","","","","1.096","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216392","27.8066","0.0004","10.0464","0.0001","22.2781","0.0003","90","","109.236","0.001","90","","5876.06","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N4 O10 Zn -","- C31 H23 N4 O10 Zn -","- C248 H184 N32 O80 Zn8 -","8","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0927","0.0976","","","","","","1.082","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216393","9.4834","0.0001","10.6376","0.0002","14.9133","0.0002","95.191","0.001","103.417","0.001","96.864","0.001","1441.99","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 O7 Zn -","- C34 H24 N4 O7 Zn -","- C68 H48 N8 O14 Zn2 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0423","0.0374","","","0.0875","0.0907","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216394","13.2139","0.0005","21.7434","0.0008","16.7754","0.0006","90","","127.107","0.002","90","","3843.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0331","0.0301","","","0.0756","0.078","","","","","","1.048","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216395","11.358","0.0002","18.7948","0.0004","13.6608","0.0003","90","","100.438","0.001","90","","2867.93","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0361","0.0295","","","0.0615","0.0664","","","","","","1.137","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216396","10.0055","0.0005","10.2265","0.0005","14.5845","0.0008","90.836","0.003","93.894","0.003","90.72","0.003","1488.56","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd N4 O11 -","- C31 H26 Cd N4 O11 -","- C62 H52 Cd2 N8 O22 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.05","0.0383","","","0.0741","0.0866","","","","","","1.118","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216397","7.4692","0.0008","22.575","0.002","22.4145","0.0014","90","","91.242","0.006","90","","3778.6","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0899","0.0691","","","0.1648","0.1808","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216398","27.317","0.003","22.2583","0.0014","6.9575","0.0005","90","","90","","90","","4230.4","0.6","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C19 H19 Cl3 Cu N2 O4 -","- C19 H19 Cl3 Cu N2 O4 -","- C152 H152 Cl24 Cu8 N16 O32 -","8","","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0766","0.0596","","","0.1213","0.131","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216399","8.0257","0.0003","19.2831","0.0006","23.3907","0.0007","90","","90","","90","","3620","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C144 H176 Cu8 N16 O48 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0383","0.0346","","","0.0953","0.0989","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216400","11.2596","0.0002","23.9363","0.0004","6.9871","0.0002","90","","103.591","0.002","90","","1830.38","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N2 O4 -","- C18 H18 Cu N2 O4 -","- C72 H72 Cu4 N8 O16 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0438","0.0408","","","0.1117","0.1134","","","","","","1.06","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216401","11.1128","0.0005","23.948","0.001","7.13","0.0003","90","","103.599","0.005","90","","1844.31","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 Ni O5 -","- C19 H22 N2 Ni O5 -","- C76 H88 N8 Ni4 O20 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0941","0.0537","","","0.1136","0.1353","","","","","","1.037","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216402","6.7484","0.0001","21.9827","0.0003","16.0526","0.0002","90","","105.172","0.001","90","","2298.37","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu N2 O8 -","- C22 H26 Cu N2 O8 -","- C88 H104 Cu4 N8 O32 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0656","0.0401","","","0.096","0.1067","","","","","","1.038","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216403","10.1012","0.001","15.8278","0.0016","27.754","0.003","90","","92.249","0.002","90","","4433.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Co2 N4 O12 -","- C43 H36 Co2 N4 O12 -","- C172 H144 Co8 N16 O48 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0923","0.0487","","","0.1181","0.1398","","","","","","0.994","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216404","9.5048","0.0008","26.132","0.002","16.8487","0.0014","90","","99.253","0.002","90","","4130.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 N4 O9 Zn2 -","- C43 H36 N4 O9 Zn2 -","- C172 H144 N16 O36 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1111","0.0539","","","0.1432","0.1747","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216405","25.584","0.007","11.903","0.003","15.203","0.004","90","","120.107","0.004","90","","4005.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co2 N4 O9 -","- C44 H32 Co2 N4 O9 -","- C176 H128 Co8 N16 O36 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0541","0.0429","","","0.1124","0.1222","","","","","","0.871","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216406","14.0828","0.0008","23.9967","0.0012","37.1516","0.0019","90","","90","","90","","12555","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C63 H75 N11 O12 Zn2 -","- C63 H64 N11 O12 Zn2 -","- C504 H512 N88 O96 Zn16 -","8","","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1154","0.0674","","","0.1779","0.207","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216407","21.096","0.012","10.897","0.006","18.875","0.011","90","","90","","90","","4339","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1534","0.075","","","0.1514","0.1844","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216408","11.6756","0.0013","14.7495","0.0016","16.4661","0.0018","109.353","0.002","101.206","0.002","108.562","0.002","2389.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H48 N6 Ni2 O11 -","- C49 H32 N6 Ni2 O11 -","- C98 H64 N12 Ni4 O22 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0905","0.057","","","0.1715","0.1894","","","","","","0.971","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216409","21.1497","0.0019","10.9266","0.0009","18.6978","0.0016","90","","90","","90","","4321","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1164","0.0513","","","0.1206","0.1486","","","","","","1.002","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216410","5.9041","0.0008","5.9041","0.0008","10.499","0.002","90","","90","","90","","365.98","0.1","93","2","93","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","1","0.0625","","Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng","Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure","CrystEngComm","2014","16","30","6836","","10.1039/C4CE00817K","","","0.71073","MoKα","","0.0315","0.0273","","","0.0547","0.0558","","","","","","1.134","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216411","23.933","0.003","18.5408","0.0016","22.9605","0.0017","90","","108.96","0.011","90","","9635.7","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H102 Mn6 N4 O24 -","- C62 H102 Mn6 N4 O24 -","- C248 H408 Mn24 N16 O96 -","4","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1664","0.1876","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216412","29.157","0.003","26.193","0.002","13.1814","0.0012","90","","90","","90","","10066.8","1.6","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H61 Mn3 N2 O12 S2 -","- C39 H61 Mn3 N2 O12 S2 -","- C312 H488 Mn24 N16 O96 S16 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.0696","0.0515","","","0.1535","0.1711","","","","","","1.114","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216413","27.93","0.008","12.816","0.003","48.811","0.014","90","","95.693","0.007","90","","17386","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H112 Mn6 N4 O26 S4 -","- C64 H94 Mn6 N4 O23 S4 -","- C512 H752 Mn48 N32 O184 S32 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1293","0.1059","","","0.2406","0.2507","","","","","","1.138","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216414","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C37 H34 Cl8 O6 -","- C296 H272 Cl64 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.2673","0.1833","","","0.4279","0.4562","","","","","","1.672","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216415","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C33 H30 O6 -","- C264 H240 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1634","0.0817","","","0.1768","0.197","","","","","","1.014","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216416","25.35","0.004","25.35","0.004","18.979","0.004","90","","90","","120","","10562","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","2*1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene+2*Dimethoxyethane+2*H2O","","","- C74 H84 O18 -","- C74 H80 O18 -","- C444 H480 O108 -","6","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1038","0.0728","","","0.1768","0.1948","","","","","","1.06","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216417","8.6821","0.0008","29.796","0.003","12.8045","0.0012","90","","96.432","0.002","90","","3291.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*dibenzocrown + 1.5K+","","","- C73 H80 K1.5 O20 -","- C73 H75 K1.5 O20 -","- C146 H150 K3 O40 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1106","0.071","","","0.138","0.1556","","","","","","1.073","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216418","13.3641","0.0007","13.3641","0.0007","45.517","0.003","90","","90","","120","","7040.2","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H80 F6 N14 O24 Si -","- C90 H80 F6 N14 O24 Si -","- C270 H240 F18 N42 O72 Si3 -","3","0.166667","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1499","0.0987","","","0.2801","0.314","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216419","13.1197","0.0005","13.1321","0.0006","15.7929","0.0006","108.655","0.002","105.033","0.002","92.632","0.002","2464.94","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","1","0.5","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1322","0.0608","","","0.1524","0.1831","","","","","","0.83","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216420","20.9184","0.001","10.4771","0.0006","7.8468","0.0004","90","","95.79","0.004","90","","1710.96","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide sodium salt trihydrate","","","- C12 H16 Cl N2 Na O8 S -","- C12 H16 Cl N2 Na O8 S -","- C48 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.0922","0.0476","","","0.0808","0.0901","","","","","","0.92","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216421","18.8967","0.001","11.1734","0.0006","7.3056","0.0004","90","","91.346","0.005","90","","1542.08","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide potassuium salt monohydrate","","","- C12 H12 Cl K N2 O6 S -","- C12 H12 Cl K N2 O6 S -","- C48 H48 Cl4 K4 N8 O24 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.091","0.0752","","","0.2237","0.2326","","","","","","1.183","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216422","12.579","0.015","24.34","0.02","14.063","0.013","90","","109.3","0.04","90","","4064","7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H53 N5 O11 -","- C37 H53 N5 O11 -","- C148 H212 N20 O44 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0612","0.0565","","","0.1588","0.163","","","","","","1.28","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216423","11.6087","0.0013","21.608","0.003","14.0422","0.0016","90","","105.152","0.002","90","","3399.9","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 N5 O11.5 -","- C29 H44 N5 O11.5 -","- C116 H176 N20 O46 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0996","0.0631","","","0.1362","0.1687","","","","","","1.05","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7216424","8.5118","0.0007","22.703","0.002","11.3906","0.0008","90","","105.401","0.007","90","","2122.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C96 H88 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0875","0.0535","","","0.0934","0.1061","","","","","","1.034","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216425","13.177","0.008","15.668","0.008","28.949","0.015","90","","90","","90","","5977","6","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H22 Co F6 N4 O5 -","- C31 H22 Co F6 N4 O5 -","- C248 H176 Co8 F48 N32 O40 -","8","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0868","0.0687","","","0.1361","0.1421","","","","","","1.266","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216426","11.5867","0.0003","12.6968","0.0004","17.5141","0.0005","90","","96.216","0.003","90","","2561.42","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Co N4 O4 -","- C28 H30 Co N4 O4 -","- C112 H120 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0529","0.0398","","","0.1043","0.1123","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216427","13.1976","0.0009","10.4914","0.0007","20.376","0.0015","90","","108.808","0.008","90","","2670.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Co N4 O5 -","- C28 H34 Co N4 O5 -","- C112 H136 Co4 N16 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0653","0.044","","","0.1027","0.1166","","","","","","1.024","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216428","9.3717","0.0008","10.1843","0.0009","11.7377","0.0011","112.956","0.001","108.358","0.001","90.696","0.001","967.32","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","1","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0385","0.0322","","","0.0767","0.0802","","","","","","1.027","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216429","8.9732","0.0004","20.4712","0.0009","10.4084","0.0005","90","","102.998","0.005","90","","1862.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co2 N5 O5 -","- C16 H12 Co2 N5 O5 -","- C64 H48 Co8 N20 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0565","0.0448","","","0.1063","0.112","","","","","","1.109","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216430","16.3552","0.0006","16.0035","0.0006","12.1024","0.0005","90","","111.399","0.001","90","","2949.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd2 N4 O9 -","- C30 H27 Cd2 N4 O9 -","- C120 H108 Cd8 N16 O36 -","4","0.5","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.0387","0.0295","","","0.0645","0.0682","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216431","6.7119","0.0007","24.876","0.003","14.0647","0.0017","90","","90","","90","","2348.3","0.5","150","2","150","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N5 O9.5 -","- C18 H10 Cd N5 O9.52 -","- C72 H40 Cd4 N20 O38.08 -","4","0.25","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.1062","0.0953","","","0.2257","0.241","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216432","16.38","0.002","20.382","0.003","31.993","0.004","90","","97.917","0.002","90","","10579","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu2 Mo12 N16 O46.5 P S2 -","- C8 H12 Cu2 Mo12 N16 O44 P S2 -","- C64 H96 Cu16 Mo96 N128 O352 P8 S16 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0596","0.0479","","","0.1313","0.1381","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216433","14.703","0.002","14.703","0.002","19.139","0.005","90","","90","","90","","4137.4","1.3","150","2","150","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C52 H80 Cl2 Cu8 N64 O80 P2 S16 W24 -","2","0.25","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.061","0.0373","","","0.0758","0.0863","","","","","","1.003","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216434","24.3102","0.0014","18.5783","0.0011","25.6814","0.0015","90","","90","","90","","11598.8","1.2","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag3 Mo12 N24 O41 P S3 -","- C12 H18 Ag3 Mo12 N24 O41 P S3 -","- C96 H144 Ag24 Mo96 N192 O328 P8 S24 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0647","0.0514","","","0.1105","0.1157","","","","","","1.053","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216435","18.274","0.003","16.737","0.003","26.438","0.003","90","","131.755","0.007","90","","6032.2","1.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Ag3 N16 O46 P S4 W12 -","- C13 H20 Ag3 N16 O46 P S4 W12 -","- C52 H80 Ag12 N64 O184 P4 S16 W48 -","4","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0534","0.0312","","","0.0607","0.0689","","","","","","1.022","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216436","12.294","0.0006","21.514","0.0011","19.633","0.001","90","","90","","90","","5192.8","0.5","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H34 Ag4 N12 O55 P V W11 -","- C8 H4 Ag4 N12 O41 P V0.96 W11.04 -","- C32 H16 Ag16 N48 O164 P4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0484","0.0398","","","0.1041","0.1082","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216437","12.308","0.0014","21.532","0.003","19.998","0.002","90","","90","","90","","5299.8","1.1","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H61 Ag4 N12 O68 Si V W11 -","- C8 H4 Ag4.49 N12 O43 Si V0.96 W11.04 -","- C32 H16 Ag17.96 N48 O172 Si4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.089","0.0754","","","0.1888","0.1976","","","","","","1.062","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216438","14.376","0.0007","23.087","0.0008","21.206","0.0011","90","","130.199","0.014","90","","5375.9","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag4 N12 O44 P V W11 -","- C18 H10 Ag4 N14 O44 P V0.96 W11.04 -","- C72 H40 Ag16 N56 O176 P4 V3.84 W44.16 -","4","1","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0648","0.0508","","","0.1231","0.1309","","","","","","1.045","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216439","23.7011","0.0007","12.1758","0.0003","14.3519","0.0006","90","","105.526","0.002","90","","3990.5","0.2","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12.6 N2 O11.3 Zr -","- C14 H10 N2 O11.259 Zr -","- C112 H80 N16 O90.072 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.0696","0.0529","","","0.1534","0.1602","","","","","","1.454","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216440","30.4402","0.0013","11.6778","0.0004","15.9518","0.0006","90","","99.695","0.003","90","","5589.5","0.4","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N5 O11 Zr -","- C23 H27 N5 O11 Zr -","- C184 H216 N40 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.1339","0.0419","","","0.0754","0.0948","","","","","","0.724","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216441","9.6801","0.0002","18.9975","0.0003","21.3644","0.0003","90","","90","","90","","3928.86","0.12","173","0.2","173","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O11 Zr -","- C17 H18 N2 O11 Zr -","- C136 H144 N16 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.057","0.0317","","","0.0664","0.0733","","","","","","0.913","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216442","12.3032","0.0016","11.0287","0.0015","19.618","0.003","90","","90.411","0.002","90","","2661.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Cu N4 O8 S2 -","- C24 H18 Cl2 Cu N4 O8 S2 -","- C96 H72 Cl8 Cu4 N16 O32 S8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0276","0.0251","","","0.0664","0.0677","","","","","","1.046","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216443","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0292","0.0272","","","0.0737","0.0749","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216444","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0367","0.0346","","","0.091","0.0924","","","","","","1.018","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216445","7.4679","0.0007","10.8411","0.001","11.3461","0.0011","77.045","0.002","70.917","0.001","76.493","0.002","833.1","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Ag Cl N3 O4 S -","- C17 H13 Ag Cl N3 O4 S -","- C34 H26 Ag2 Cl2 N6 O8 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0315","0.026","","","0.0594","0.0616","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216446","10.1145","0.0008","10.2684","0.0008","10.8689","0.0009","74.219","0.001","68.085","0.001","64.291","0.001","935.39","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Cd Cl N3 O5 S -","- C17 H12 Cd Cl N3 O5 S -","- C34 H24 Cd2 Cl2 N6 O10 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0251","0.0241","","","0.0673","0.0679","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216447","15.746","0.004","10.962","0.003","22.411","0.005","90","","109.335","0.004","90","","3650.1","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C136 H96 Cl8 N24 O36 S8 Zn8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0415","0.031","","","0.0769","0.0824","","","","","","1.008","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216448","26.6699","0.0005","37.3628","0.0009","54.356","0.001","90","","90","","90","","54163.7","1.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C89 H105.2 N5 O42.6 S8 -","- C89 H75 N5 O42.6 S8 -","- C1424 H1200 N80 O681.6 S128 -","16","0.5","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1805","0.1429","","","0.3737","0.3943","","","","","","1.612","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216449","14.6443","0.0004","19.4468","0.0006","26.594","0.001","99.79","0.002","90.699","0.001","107.796","0.004","7089.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H176 N10 O61 S8 -","- C120.75 H124 N10 O61 S8 -","- C241.5 H248 N20 O122 S16 -","2","1","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1756","0.1094","","","0.2716","0.3107","","","","","","0.996","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216450","9.926","0.003","10.992","0.004","7.12","0.002","90","","90","","90","","776.8","0.4","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Gd Na3 O9 -","- C3 Gd Na3 O9 -","- C12 Gd4 Na12 O36 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0167","0.0162","","","0.0435","0.0437","","","","","","1.152","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216451","9.82","0.014","10.883","0.016","7.038","0.009","90","","90","","90","","752.2","1.8","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Na3 O9 Y -","- C3 Na3 O9 Y -","- C12 Na12 O36 Y4 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0392","0.0326","","","0.0636","0.0665","","","","","","1.08","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216452","5.7765","0.0006","13.4566","0.0013","19.456","0.002","90","","90","","90","","1512.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C60 H72 Cl4 N12 O4 -","4","1","","Davey, Roger J.; Sadiq, Ghazala; Seaton, Colin C.; Pritchard, Robin G.; Coquerel, Gerard; Rougeot, Celine","Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one","CrystEngComm","2014","16","21","4377","","10.1039/c4ce00615a","","x-ray","0.71073","MoKα","","0.0881","0.0557","","","0.0774","0.0901","","","","","","1.007","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216453","10.3388","0.0007","10.3388","0.0007","9.4073","0.0012","90","","90","","90","","1005.55","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C2 H8 Al Ge3 N O8 -","- C2 H4 Al Ge3 N O8 -","- C8 H16 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0306","0.0288","","","0.1166","0.1179","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216454","10.3404","0.0003","10.3404","0.0003","9.4021","0.0007","90","","90","","90","","1005.31","0.09","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C2 H8 Al Ge3 N O8 -","- C2 H8 Al Ge3 N O8 -","- C8 H32 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0271","0.0253","","","0.0756","0.0765","","","","","","1.125","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216455","16.4699","0.0007","16.4699","0.0007","16.4699","0.0007","90","","90","","90","","4467.6","0.3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C7 H29 Al3 Ge3 N7 Ni O12 -","- C7 H12 Al3 Ge3 N6.99 Ni O12 -","- C56 H96 Al24 Ge24 N55.92 Ni8 O96 -","8","0.333333","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.05","0.0389","","","0.1193","0.1243","","","","","","1.136","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216456","22.0842","0.0002","22.0842","0.0002","28.0921","0.0006","90","","90","","120","","11865.3","0.3","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H35 K4 La3 N12 O74 Si W12 -","- C30 H15 K3.99 La3 N12 O69.49 Si W12 -","- C180 H90 K23.94 La18 N72 O416.94 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0438","0.0327","","","0.0716","0.0763","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216457","22.152","0.0004","22.152","0.0004","28.2012","0.0012","90","","90","","120","","11984.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H33 Ce3 K4 N12 O73 Si W12 -","- C30 H15 Ce3 K3.99 N12 O70.48 Si W12 -","- C180 H90 Ce18 K23.94 N72 O422.88 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0269","0.0227","","","0.0513","0.0533","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216458","13.685","0.005","13.144","0.004","22.649","0.007","90","","100.551","0.005","90","","4005","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 La4 N8 O75 Si W12 -","- C20 H8 La4 N8 O73 Si W12 -","- C40 H16 La8 N16 O146 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.1585","0.0838","","","0.1734","0.2035","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216459","13.7014","0.001","13.1554","0.001","22.7273","0.0017","90","","100.366","0.001","90","","4029.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Ce4 N8 O75 Si W12 -","- C20 H8 Ce4 N8 O78 Si W12 -","- C40 H16 Ce8 N16 O156 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0782","0.073","","","0.1487","0.1514","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216463","16.529","0.002","16.529","0.002","16.604","0.002","90","","90","","90","","4536.3","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H38 Cl2 N8 O11 S4 Zn -","- C40 H38 Cl2 N8 O11 S4 Zn -","- C160 H152 Cl8 N32 O44 S16 Zn4 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.0511","0.046","","","0.1156","0.1195","","","","","","1.021","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216464","9.694","0.003","11.143","0.004","11.326","0.003","87.71","0.04","76.9","0.03","67.65","0.04","1100.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","1","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.1201","0.0394","","","","0.094","","","","","","0.787","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216465","14.545","0.003","14.834","0.003","12.805","0.004","90","","90","","90","","2762.8","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C12 H8 N4 O2 S Zn -","- C12 H8 N4 O2 S Zn -","- C96 H64 N32 O16 S8 Zn8 -","8","1","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.1409","0.029","","","","0.0613","","","","","","0.801","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216466","17.001","0.006","10.288","0.004","16.629","0.006","90","","118.53","0.04","90","","2555.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Fe N6 O2 S4 -","- C22 H20 Fe N6 O2 S4 -","- C88 H80 Fe4 N24 O8 S16 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.2429","0.0446","","","","0.1051","","","","","","0.625","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216467","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216468","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216469","6.314","0.01","5.031","0.009","7.334","0.009","90","","90","","90","","233","0.6","295","2","295","2","","","1220000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0357","0.0302","","","0.0476","0.053","","","","","","1.216","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216470","6.183","0.01","4.904","0.005","7.317","0.017","90","","90","","90","","221.9","0.7","295","2","295","2","","","1690000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.019","0.014","","","0.0202","0.0216","","","","","","1.283","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216471","6.018","0.005","4.832","0.011","7.035","0.011","90","","90","","90","","204.6","0.6","295","2","295","2","","","2910000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0136","0.0128","","","0.022","0.0221","","","","","","1.111","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216472","5.967","0.015","4.708","0.004","6.984","0.015","90","","90","","90","","196.2","0.7","295","2","295","2","","","4380000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0212","0.0208","","","0.0474","0.0476","","","","","","1.278","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216473","4.372","0.005","6.375","0.005","9.196","0.009","90","","90","","90","","256.3","0.4","295","2","295","2","","","1110000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0416","0.0253","","","0.0455","0.0484","","","","","","1.053","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216474","4.331","0.003","6.358","0.005","9.142","0.006","90","","90","","90","","251.7","0.3","295","2","295","2","","","1500000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.02","0.0139","","","0.0234","0.0243","","","","","","1.041","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216475","6.387","0.009","5.163","0.005","7.492","0.005","90","","90","","90","","247.1","0.5","295","2","295","2","","","1550000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0473","0.039","","","0.0712","0.0756","","","","","","1.171","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216476","6.378","0.01","5.133","0.009","7.413","0.009","90","","90","","90","","242.7","0.6","295","2","295","2","","","1830000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0363","0.0273","","","0.05","0.0545","","","","","","1.196","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216477","6.236","0.005","5.017","0.006","7.394","0.019","90","","90","","90","","231.3","0.7","295","2","295","2","","","2850000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0171","0.0145","","","0.0316","0.0325","","","","","","1.123","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216478","25.985","0.005","13.713","0.003","24.798","0.005","90","","112.39","0.03","90","","8170","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu3 N6 O9 -","- C36 H36 Cu3 N6 O9 -","- C288 H288 Cu24 N48 O72 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.084","0.0746","","","0.1692","0.1755","","","","","","1.136","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216479","22.533","0.004","23.066","0.005","14.201","0.003","90","","90","","90","","7381","3","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C68 H63 Cu6 N11 O17 -","- C68 H63 Cu6 N11 O17 -","- C272 H252 Cu24 N44 O68 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0939","0.0535","","","0.1312","0.1525","","","","","","0.85","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216480","9.6951","0.0019","21.832","0.004","19.246","0.004","90","","97.76","0.03","90","","4036.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Cu3 N7 O10 -","- C37 H39 Cu3 N7 O10 -","- C148 H156 Cu12 N28 O40 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.1502","0.072","","","0.1626","0.206","","","","","","0.959","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216481","14.76","0.003","14.694","0.003","18.395","0.004","90","","98.88","0.03","90","","3941.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cu3 N7 O7 -","- C41 H33 Cu3 N7 O7 -","- C164 H132 Cu12 N28 O28 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0689","0.0421","","","0.1233","0.1422","","","","","","0.922","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216482","41.72","0.003","8.6534","0.0005","28.881","0.002","90","","120.329","0.005","90","","8999.6","1.1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C332 H412 Cu24 N84 O92 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0852","0.0634","","","0.1486","0.1666","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216483","23.049","0.005","11.765","0.005","22.522","0.005","90","0.005","101.828","0.005","90","0.005","5978","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 Mo12 N10 O43 P -","- C32 H24 Ag5 Mo12 N10 O40 P -","- C128 H96 Ag20 Mo48 N40 O160 P4 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0941","0.0448","","","0.082","0.1026","","","","","","1.055","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216484","12.977","0.005","20.255","0.005","21.995","0.005","90","0.005","97.708","0.005","90","0.005","5729","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag4 Mo12 N12 Na O42 P -","- C24 H18 Ag4 Mo12 N12 Na O41 P -","- C96 H72 Ag16 Mo48 N48 Na4 O164 P4 -","4","1","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0389","0.0265","","","0.0517","0.0553","","","","","","1.004","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216485","11.396","0.005","11.792","0.005","13.376","0.005","65.249","0.005","80.299","0.005","61.303","0.005","1430.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","1","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0516","0.0385","","","0.084","0.0901","","","","","","1.083","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216486","22.902","0.005","11.913","0.005","22.594","0.005","90","0.005","101.657","0.005","90","0.005","6037","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 N10 O43 P W12 -","- C32 H24 Ag5 N10 O40 P W12 -","- C128 H96 Ag20 N40 O160 P4 W48 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0758","0.0548","","","0.1123","0.1207","","","","","","1.093","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216487","10.324","0.003","18.828","0.005","21.852","0.006","69.016","0.006","84.428","0.01","75.039","0.01","3831.4","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]silver (I) cobalt(III) bis(dicarbollide) hydrate dimethylformamide","","- C59.5 H86.5 Ag B18 Co N5.5 O12.5 -","- C59.5 H84.5 Ag B18 Co N5.5 O12.5 -","- C119 H169 Ag2 B36 Co2 N11 O25 -","2","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.0885","0.0807","","","0.2334","0.2426","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216488","38.7","0.003","9.6729","0.001","38.853","0.004","90","","111.954","0.004","90","","13490","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aquodonitro[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]cadmium(II) diethylether dimethylformamide clathrate","","- C106 H118 Cd2 N12 O35 -","- C106 H114 Cd2 N12 O35 -","- C424 H456 Cd8 N48 O140 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1749","0.1335","","","0.385","0.4291","","","","","","1.617","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216489","19.3628","0.0007","43.7924","0.0011","16.6371","0.0006","90","","90.525","0.003","90","","14106.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}silver(I) cobalt(III) bis(dicarbollide) nitromethane","","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C518 H654 Ag8 B144 Co8 N30 O60 -","4","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.135","0.1128","","","0.3054","0.3462","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216490","21.057","0.005","44.917","0.009","40.687","0.008","90","","97.365","0.006","90","","38165","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[dodeca(trifluoroacetate)tetra{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}hexaplatinum(II) ether","","- C268 H234 F36 N12 O49 Pd6 -","- C268 H234 F36 N12 O49 Pd6 -","- C1072 H936 F144 N48 O196 Pd24 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1251","0.0914","","","0.2444","0.2572","","","","","","1.546","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216491","13.745","0.0008","24.8293","0.0014","7.2076","0.0004","90","","95.191","0.001","90","","2449.7","0.2","95","2","95","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro- 1'H-imidazole-1'-oxyl)benzene - co - dichloromethane","","- C21 H29.72 Cl2 I N4 O2.36 -","- C21 H29 Cl2 I N4 O2.36 -","- C84 H116 Cl8 I4 N16 O9.44 -","4","0.5","","Akpinar, Handan; Schlueter, John A.; Lahti, Paul M.","Organizing a bis(iminoylnitroxide) diradical into antiferromagnetically coupled chains by co-crystallization with dichloromethane","CrystEngComm","2014","16","26","5832","","10.1039/c4ce00207e","","x-ray","0.3936","synchrotron","","0.046","0.0404","","","0.1157","0.1192","","","","","","1.161","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216492","14.8642","0.0011","18.5544","0.0015","4.7094","0.0004","90","","90","","90","","1298.84","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","4-aminobenzoic acid + 2-acetaminopyridine","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0422","0.0329","","","0.0742","0.0788","","","","","","1.036","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216493","12.776","0.003","5.1844","0.001","19.547","0.004","90","","103.08","0.03","90","","1261.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","benzoic acid + 2-acetaminopyridine","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0783","0.0401","","","0.0935","0.1076","","","","","","0.974","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216494","8.4349","0.0017","23.547","0.005","7.127","0.0014","90","","90.22","0.03","90","","1415.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 2-acetamido-6-methylpyridine","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1665","0.0583","","","0.1218","0.1566","","","","","","0.989","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216495","9.0318","0.0007","10.8602","0.0009","23.561","0.0019","90","","97.95","0.002","90","","2288.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","2(4-methoxybenzoic acid) + 4,4-bipyridine","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0598","0.0398","","","0.1011","0.1133","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216496","7.3345","0.0015","9.1868","0.0018","21.307","0.004","90","","93.3","0.03","90","","1433.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 6-aminoquinoline","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.042","0.0363","","","0.0987","0.1032","","","","","","1.065","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216497","3.7592","0.0013","27.082","0.009","6.551","0.002","90","","90.735","0.008","90","","666.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","4-nitrobenzoic acid + quinoline","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0837","0.047","","","0.0901","0.1029","","","","","","0.99","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216498","11.5","0.002","15.191","0.003","12.228","0.002","90","","90","","90","","2136.2","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","none","benzoic acid + 2-aminopyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1054","0.0443","","","0.0929","0.11","","","","","","0.95","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216499","9.6861","0.0007","10.3327","0.0007","12.0022","0.0008","90","","97.765","0.002","90","","1190.21","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-aminopyridine","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0254","0.0208","","","0.0515","0.0533","","","","","","1.043","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216500","5.5541","0.0011","8.5531","0.0017","25.38","0.005","90","","90","","90","","1205.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","4-aminobenzoic acid + 2-amino-4-methylpyridine","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0802","0.0389","","","0.0711","0.0795","","","","","","0.94","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216501","9.4403","0.0019","11.509","0.002","12.69","0.003","90","","110.77","0.03","90","","1289.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","4-methoxybenzoic acid + 2-amino-6-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0863","0.0423","","","0.0863","0.0972","","","","","","0.958","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216502","10.337","0.002","11.727","0.002","11.031","0.002","90","","105.53","0.03","90","","1288.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-methoxybenzoic acid + 2-amino-4-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.104","0.0462","","","0.1029","0.1209","","","","","","0.938","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216503","11.888","0.002","12.313","0.003","16.815","0.003","90","","90","","90","","2461.3","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","none","benzoic acid + 2-amino-6-methylpyridine","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1051","0.0525","","","0.1079","0.1297","","","","","","1.019","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216504","17.1239","0.0016","4.1317","0.0004","22.882","0.002","90","","111.762","0.002","90","","1503.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","4-bromobenzoic acid + 2-amino-6-methylpyridine + 2(water)","","- C13 H17 Br N2 O4 -","- C13 H15 Br N2 O4 -","- C52 H60 Br4 N8 O16 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0455","0.0303","","","0.0751","0.082","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216505","9.5786","0.0019","11.539","0.002","11.311","0.002","90","","100.45","0.03","90","","1229.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-amino-4-methylpyridine","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C52 H52 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0387","0.0242","","","0.0526","0.0557","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216506","11.478","0.002","15.142","0.003","19.266","0.004","90","","101.27","0.03","90","","3283.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline. 2,2-bis(4-hydroxyphenyl)propane cocrystal","","- C40 H36 N2 O3 -","- C40 H36 N2 O3 -","- C160 H144 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.158","0.0659","","","0.1466","0.1906","","","","","","1.003","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216507","13.383","0.003","9.766","0.002","18.67","0.004","90","","100.97","0.03","90","","2395.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.chloroform solvate","","- C26 H21 Cl3 N2 O -","- C26 H21 Cl3 N2 O -","- C104 H84 Cl12 N8 O4 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.182","0.0741","","","0.133","0.1697","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216508","10.258","0.002","12.272","0.003","16.034","0.003","90","","105.53","0.03","90","","1944.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline monohydrate","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1601","0.0685","","","0.1252","0.1519","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216509","22.826","0.005","10.082","0.002","10.677","0.002","90","","90","","90","","2457.1","0.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.phenol cocrystal","","- C31 H26 N2 O2 -","- C31 H26 N2 O2 -","- C124 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1722","0.0731","","","0.1024","0.1278","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216510","6.9931","0.0014","10.127","0.002","15.112","0.003","95.46","0.03","96.7","0.03","101.17","0.03","1035.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N5 O4 -","- C21 H18 F3 N5 O4 -","- C42 H36 F6 N10 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0705","0.0628","","","0.2017","0.232","","","","","","1.188","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216511","7.5628","0.0015","7.645","0.0015","14.552","0.003","90.45","0.03","92.14","0.03","95.81","0.03","836.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O3 -","- C19 H15 F3 N2 O3 -","- C38 H30 F6 N4 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0979","0.0789","","","0.1889","0.2023","","","","","","1.184","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216512","9.827","0.002","10.361","0.002","25.005","0.005","84.67","0.03","81.34","0.03","71.46","0.03","2383.5","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 N4 O4 -","- C38 H28 F6 N4 O4 -","- C114 H84 F18 N12 O12 -","3","1.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.2316","0.1985","","","0.473","0.4988","","","","","","1.572","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216513","9.9973","0.0013","22.788","0.003","10.4078","0.0014","90","","91.243","0.001","90","","2370.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0649","0.0385","","0.0872","0.0732","0.0872","","","","","","1.0075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216514","10.0093","0.0003","22.8207","0.0008","10.4016","0.0004","90","","91.416","0.002","90","","2375.2","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0625","0.0376","","0.1","0.0806","0.1","","","","","","1.099","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216515","10.0604","0.0018","22.876","0.004","10.4041","0.0019","90","","91.741","0.002","90","","2393.3","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.084","0.0384","","0.0769","0.0717","0.0769","","","","","","0.7821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216516","7.116","0.0012","22.916","0.004","7.3818","0.0013","90","","91.415","0.002","90","","1203.4","0.4","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0639","0.0386","","0.0989","0.0951","0.0989","","","","","","0.9037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216517","7.1234","0.0014","22.966","0.004","7.3986","0.0014","90","","91.146","0.002","90","","1210.1","0.4","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0677","0.0407","","0.1072","0.0909","0.1072","","","","","","0.9846","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216518","7.1264","0.0014","22.986","0.005","7.4072","0.0014","90","","90.974","0.002","90","","1213.2","0.4","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0714","0.0413","","0.115","0.0939","0.115","","","","","","0.9794","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216519","7.1314","0.0014","23.013","0.005","7.418","0.0015","90","","90.803","0.002","90","","1217.3","0.4","250","","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0771","0.0381","","0.09","0.0857","0.09","","","","","","0.8468","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216520","7.1365","0.0014","23.041","0.005","7.4304","0.0015","90","","90.628","0.002","90","","1221.7","0.4","275","","275","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0836","0.0391","","0.0892","0.0841","0.0892","","","","","","0.8112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216521","7.1345","0.0007","23.048","0.003","7.433","0.0008","90","","90.449","0.006","90","","1222.2","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.081","0.0456","","0.1403","0.1109","0.1403","","","","","","1.0185","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216522","5.7804","0.0004","19.7971","0.0014","10.5967","0.0006","90","","100.841","0.003","90","","1190.99","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0333","0.0264","","0.0706","0.0668","0.0706","","","","","","0.9801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216523","10.8355","0.0019","10.203","0.0017","11.5425","0.0019","90","","111.839","0.008","90","","1184.5","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0257","0.02","","0.0476","0.0446","0.0476","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216524","10.2017","0.0006","22.3376","0.0013","10.5639","0.0006","90","","90.157","0.003","90","","2407.3","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","30:70 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.72 Cl0.28 N O -","- C11 H16 Br0.7185 Cl0.2815 N O -","- C88 H128 Br5.748 Cl2.252 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0399","0.0286","","0.0701","0.0628","0.0701","","","","","","1.0075","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216525","10.1409","0.0011","22.488","0.003","10.4979","0.0011","90","","90.359","0.008","90","","2394","0.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","60:40 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.4 Cl0.6 N O -","- C11 H16 Br0.4035 Cl0.5965 N O -","- C88 H128 Br3.228 Cl4.772 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.1608","0.1186","","0.4127","0.3897","0.4127","","","","","","1.5578","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216526","10.1012","0.0005","22.5506","0.0012","10.4737","0.0005","90","","90.441","0.003","90","","2385.7","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","70:30 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.3 Cl0.7 N O -","- C11 H16 Br0.3025 Cl0.6975 N O -","- C88 H128 Br2.42 Cl5.58 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0374","0.0321","","0.0753","0.0698","0.0753","","","","","","1.0369","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216527","27.4599","0.0012","5.6654","0.0002","11.4275","0.0005","90","","92.25","0.002","90","","1776.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N2 O3 -","- C21 H20 F N2 O3 -","- C84 H80 F4 N8 O12 -","4","1","","Blagden, N.; Coles, S. J.; Berry, D. J.","Pharmaceutical co-crystals ‒ are we there yet?","CrystEngComm","2014","16","26","5753","","10.1039/c4ce00127c","","","0.71073","MoKα","","0.1033","0.0543","","","0.1219","0.1448","","","","","","1.04","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216528","7.624","0.006","5.8","0.004","36.02","0.03","90","","90.017","0.008","90","","1593","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N O3 -","- C19 H18 N O3 -","- C76 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.127","0.0965","","","0.1846","0.198","","","","","","1.189","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216529","7.966","0.004","6.012","0.003","28.985","0.015","90","","91.739","0.007","90","","1387.5","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RS-Naproxen-Piperidine","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1671","0.0928","","","0.1627","0.1936","","","","","","1.101","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216530","15.206","0.006","5.766","0.002","19.37","0.008","90","","111.189","0.005","90","","1583.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C76 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1402","0.0753","","","0.1128","0.1353","","","","","","1.008","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216531","8.029","0.004","6.118","0.003","28.045","0.014","90","","93.99","0.007","90","","1374.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-Naproxen-Piperidine","","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1382","0.0799","","","0.136","0.167","","","","","","1.021","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216532","6.0536","0.0007","10.5285","0.0016","24.444","0.003","90","","90","","90","","1557.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C52 H40 I4 N12 O24 -","4","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0249","0.0211","","","0.0449","0.0505","","","","","","1.154","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216533","9.947","0.007","12.823","0.009","13.02","0.01","94.249","0.016","91.739","0.016","90.493","0.019","1655","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 I2 N6 O13 -","- C27 H17 I2 N6 O13 -","- C54 H34 I4 N12 O26 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.1317","0.0791","","","0.1856","0.2125","","","","","","1.075","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216534","7.3806","0.0015","9.3433","0.0018","11.754","0.002","80.602","0.005","71.795","0.005","79.46","0.005","752.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N3 O7 -","- C13 H10 I N3 O7 -","- C26 H20 I2 N6 O14 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0211","0.0191","","","0.0462","0.0474","","","","","","1.087","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216535","9.0879","0.0011","9.9637","0.0012","10.5749","0.0012","94.099","0.004","103.81","0.004","92.568","0.004","925.6","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","1","0.5","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0657","0.0392","","","0.0788","0.111","","","","","","1.193","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216536","10.756","0.009","5.79","0.004","13.363","0.009","90","","107.859","0.008","90","","792.1","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.0133","0.0131","","","0.0332","0.0332","","","","","","1.088","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216537","8.534","0.002","8.769","0.002","11.882","0.008","111.035","0.008","101.327","0.007","95.273","0.007","800.9","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.019","0.018","","","0.0471","0.0475","","","","","","1.132","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216538","14.0063","0.0003","16.8616","0.0004","7.8007","0.0005","90","","105.402","0.001","90","","1776.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MMP","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine","","- C18 H17 N3 O3 S -","- C18 H17 N3 O3 S -","- C72 H68 N12 O12 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0585","0.0388","","","0.0913","0.1012","","","","","","1.012","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216539","10.4542","0.0007","10.7365","0.0007","19.2796","0.0012","92.407","0.001","96.173","0.002","105.247","0.001","2070.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. hexanedioic acid","","- C42 H44 N6 O10 S2 -","- C42 H44 N6 O10 S2 -","- C84 H88 N12 O20 S4 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0918","0.05","","","0.1131","0.1332","","","","","","0.98","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216540","5.411","0.002","11.572","0.005","18.486","0.008","87.456","0.008","89.447","0.007","84.076","0.008","1150.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.(E)-butenedioate methanolate","","- C23 H25 N3 O8 S -","- C23 H25 N3 O8 S -","- C46 H50 N6 O16 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.1245","0.1079","","","0.259","0.2707","","","","","","1.029","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216541","18.581","0.002","5.1754","0.0007","23.326","0.003","90","","106.774","0.002","90","","2147.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","007 oxalic acid hydrate salt","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.ethanedioate tetrahydrate","","- C19 H26 N3 O9 S -","- C19 H26 N3 O9 S -","- C76 H104 N12 O36 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0653","0.0434","","","0.1078","0.1187","","","","","","1.055","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216542","13.4221","0.0006","16.746","0.0008","25.6251","0.0012","90","","99.444","0.001","90","","5681.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2H-1lamda6,2-benzothiazol-1,1,3-trione salt hydrate","","- C25 H26.97 N4 O8.48 S2 -","- C25 H22 N4 O8.48 S2 -","- C200 H176 N32 O67.84 S16 -","8","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0625","0.0514","","","0.1365","0.144","","","","","","1.062","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216543","13.232","0.0008","11.6031","0.0007","16.5449","0.001","90","","110.977","0.001","90","","2371.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2-hydroxybenzoate salt hydrate","","- C25 H25 N3 O7 S -","- C25 H23 N3 O7 S -","- C100 H92 N12 O28 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.062","0.0488","","","0.1333","0.1464","","","","","","1.036","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216544","5.4192","0.0007","12.1987","0.0015","19.705","0.003","75.627","0.002","88.814","0.002","89.651","0.002","1261.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. octanedioate salt","","- C26 H31 N3 O7 S -","- C26 H31 N3 O7 S -","- C52 H62 N6 O14 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0696","0.0409","","","0.0887","0.0962","","","","","","0.905","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216545","9.5289","0.0003","9.1191","0.0003","8.667","0.0002","90","","90","","90","","753.12","0.04","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","melamine barbital addition compound","","","- C11 H18 N8 O3 -","- C11 H18 N8 O3 -","- C22 H36 N16 O6 -","2","0.5","","Gryl, M.; Seidler, T.; Stadnicka, K.; Matulková, I.; Němec, I.; Tesařová, N.; Němec, P.","The crystal structure and optical properties of a pharmaceutical co-crystal ‒ the case of the melamine‒barbital addition compound","CrystEngComm","2014","16","26","5765","","10.1039/c4ce00178h","","","0.71073","MoKα","","0.0887","0.0453","","","0.09","0.0986","","","","","","0.892","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216546","26.292","0.002","5.2948","0.0004","34.158","0.003","90","","90.598","0.004","90","","4754.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","alpha lipoicacid nicotinamide co-crystal","","","- C14 H20 N2 O3 S2 -","- C14 H20 N2 O3 S2 -","- C168 H240 N24 O36 S24 -","12","3","","Zhao, Lihua; Raval, Vishal; Briggs, Naomi E. B.; Bhardwaj, Rajni M.; McGlone, Thomas; Oswald, Iain D. H.; Florence, Alastair J.","From discovery to scale-up: α-lipoic acid : nicotinamide co-crystals in a continuous oscillatory baffled crystalliser","CrystEngComm","2014","16","26","5769","","10.1039/c4ce00154k","","","0.71073","MoKα","","0.1089","0.0733","","","0.1832","0.2147","","","","","","1.046","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216547","7.482","0.0001","22.751","0.0003","36.294","0.0005","90","","90","","90","","6178.07","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C264 H372 Cl12 O36 -","12","3","","Ruiz, Alberto; Pérez, Hiram; Morera-Boado, Cercis; Almagro, Luis; da Silva, Cecilia C. P.; Ellena, Javier; García de la Vega, José M.; Martínez-Álvarez, Roberto; Suárez, Margarita; Martín, Nazario","Unusual hydrogen bond patterns contributing to supramolecular assembly: conformational study, Hirshfeld surface analysis and density functional calculations of a new steroid derivative","CrystEngComm","2014","16","33","7802","","10.1039/C4CE00709C","","","0.71073","MoKα","","0.0669","0.0484","","","","0.12","","","","","","1.027","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216548","7.1671","0.0016","14.704","0.003","11.157","0.003","90","","96.747","0.003","90","","1167.6","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AsC5H12NO8U","","- C5 H11 As N O8 U -","- C5 H11 As N O8 U -","- C20 H44 As4 N4 O32 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0194","0.0166","","","0.037","0.0381","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216549","12.3917","0.0015","36.745","0.004","10.2457","0.0012","90","","112.19","0.0013","90","","4319.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C38H40N2O15S4U","","- C38 H40 N2 O15 S4 U -","- C38 H40 N2 O15 S4 U -","- C152 H160 N8 O60 S16 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0496","0.0328","","","0.0677","0.0734","","","","","","1.023","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216550","28.2107","0.0014","23.9375","0.0012","26.1899","0.0013","90","","90","","90","","17685.9","1.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- Cu17 H290 Mo46 N19 Na O317 V18 -","- Cu17 Mo46 Na O310 V18 -","- Cu34 Mo92 Na2 O620 V36 -","2","0.25","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1028","0.0657","","","0.1454","0.1569","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216551","14.7333","0.0003","17.2359","0.0006","18.2871","0.0004","96.789","0.002","98.188","0.002","93.537","0.002","4549.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu8 H152 Mo30 N20 O169 V10 -","- Cu8 Mo30 N18 O160 V10 -","- Cu8 Mo30 N18 O160 V10 -","1","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.0636","0.0453","","","0.1245","0.135","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216552","53.884","0.005","13.9563","0.0011","26.848","0.002","90","","104.181","0.002","90","","19575","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cu11 H144 Mo30 N10 Na O181 V9 -","- Cu11 Mo30 N7 Na O177 V9 -","- Cu44 Mo120 N28 Na4 O708 V36 -","4","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1068","0.0663","","","0.1907","0.215","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216553","6.557","0.0003","6.9924","0.0004","19.2094","0.001","90","","90.285","0.004","90","","880.72","0.08","293.21","0.1","293.21","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B6 Cd2 O12 Pb -","- B6 Cd2 O12 Pb -","- B24 Cd8 O48 Pb4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0483","0.0504","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216554","8.6173","0.0005","7.5994","0.0004","9.4036","0.0005","90","","93.358","0.005","90","","614.75","0.06","293","2","293","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Eu O10 Zn -","- B5 Eu O10 Zn -","- B20 Eu4 O40 Zn4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0268","0.0221","","","0.0487","0.0511","","","","","","1.072","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216555","12.947","0.005","15.169","0.005","15.922","0.005","67.605","0.005","82.355","0.005","65.089","0.005","2620.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","1","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Unexpected 1D self-assembly of carbonate-templated sandwich-like macrocycle-based Ag20S10luminescent nanoclusters","CrystEngComm","2014","16","34","7860","","10.1039/C4CE00867G","","","0.71069","MoKα","","0.1109","0.0614","","","0.1519","0.1765","","","","","","0.988","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216556","9.9795","0.0008","10.1903","0.0008","11.6966","0.0009","91.086","0.005","101.528","0.005","118.691","0.004","1013.21","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B2 K7 O19 P5 -","- B2 K6.995 O19 P5 -","- B4 K13.99 O38 P10 -","2","1","","Wang, Ying; Pan, Shilie; Han, Shujuan; Zhang, Bingbing; Dong, Lingyun; Zhang, Min; Yang, Zhihua","K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7−anionic units","CrystEngComm","2014","16","30","6848","","10.1039/C4CE00917G","","","0.71073","MoKα","","0.0583","0.0401","","","0.0939","0.1016","","","","","","1.111","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216557","6.9524","0.0008","13.6858","0.0009","16.334","0.002","90","","100.148","0.005","90","","1529.9","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O3 -","- C17 H27 O3 -","- C68 H108 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.1","","","","","","1.92","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216558","10.87","0.004","16.939","0.003","10.934","0.004","90","","93.99","0.02","90","","2008.4","1.1","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","0.5","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.047","","","","0.065","","","","","","1.86","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216559","7.1","0.001","13.567","0.001","16.783","0.003","90","","106.83","0.007","90","","1547.4","0.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.101","","","","","","1.67","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216560","12.866","0.004","13.845","0.004","12.361","0.004","90","","114.8","0.01","90","","1998.8","1.1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Br2 Cl2 N2 -","- C22 H12 Br2 Cl2 N2 -","- C88 H48 Br8 Cl8 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.039","","","","0.047","","","","","","1.47","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216561","13.308","0.008","10.505","0.007","11.296","0.007","90","","100.54","0.02","90","","1552.5","1.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.049","","","","0.059","","","","","","1.7","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216562","8.1111","0.0005","14.1487","0.0009","11.7504","0.0008","90","","106.91","0.001","90","","1290.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Zn","","","- C24 H10 F12 N2 O4 Zn -","- C24 H10 F12 N2 O4 Zn -","- C48 H20 F24 N4 O8 Zn2 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0484","0.0319","","","0.0768","0.0831","","","","","","1.005","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216563","8.1706","0.0005","14.3761","0.0008","11.5533","0.0007","90","","105.813","0.001","90","","1305.71","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C24 H10 F12 Mn N2 O4 -","- C24 H10 F12 Mn N2 O4 -","- C48 H20 F24 Mn2 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0456","0.0338","","","0.0884","0.0945","","","","","","1.003","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216564","8.0304","0.0004","13.8823","0.0007","12.0812","0.0006","90","","106.194","0.001","90","","1293.38","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Cu","","","- C24 H10 Cu F12 N2 O4 -","- C24 H10 Cu F12 N2 O4 -","- C48 H20 Cu2 F24 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0424","0.0358","","","0.1014","0.106","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216565","6.6626","0.0009","9.3393","0.0012","10.5602","0.0013","98.648","0.002","101.102","0.003","92.668","0.002","635.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex between 1,2-bis(4-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C12 H5 F6 Mn N O2 -","- C12 H5 F6 Mn0.5 N O2 -","- C24 H10 F12 Mn N2 O4 -","2","1","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.1571","0.0641","","","0.1221","0.1489","","","","","","0.929","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216566","13.164","0.003","13.998","0.004","20.75","0.006","79.08","0.02","79.91","0.02","80.14","0.02","3658.4","1.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H52 Br12 N6 -","- C80 H46 Br12 N6 -","- C160 H92 Br24 N12 -","2","1","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.052","","","","0.057","","","","","","1.64","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216567","27.579","0.007","32.87","0.008","4.447","0.001","90","","90","","90","","4031.3","1.7","294","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H12 Br4 N2 -","- C22 H12 Br4 N2 -","- C176 H96 Br32 N16 -","8","0.5","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.039","","","","0.048","","","","","","1.69","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216568","6.571","0.002","21.718","0.006","12.65","0.004","90","","90","","90","","1805.3","0.9","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","[CuL2m]4[CuCl4]Cl6.5H2O","","","- C32 H82 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","1","0.0625","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0686","0.0548","","0.164","","0.155","","","1.085","","","1.163","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216569","6.624","0.001","12.677","0.002","13.059","0.002","94.082","0.002","99.368","0.003","91.58","0.003","1078.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[CuL2e]Cl2.3H2O.MeOH","","","- C11 H32 Cl2 Cu N8 O6 -","- C11 H32 Cl2 Cu N8 O6 -","- C22 H64 Cl4 Cu2 N16 O12 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0629","0.0395","","0.0945","","0.0878","","","0.945","","","1.045","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216570","12.656","0.002","13.541","0.002","21.543","0.003","90","","90.071","0.002","90","","3691.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL3m](Cl)2(MeOH)0.5(H2O)","","","- C10 H25 Cl2 Cu N8 O3.5 -","- C10 H20 Cl2 Cu N8 O3.5 -","- C80 H160 Cl16 Cu8 N64 O28 -","8","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0751","0.0542","","0.1566","","0.1461","","","1.054","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216571","21.904","0.006","12.9712","0.0004","6.7694","0.0002","90","","90","","90","","1923.3","0.5","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","","- C10 H24.6 Br2 Cu N8 O3.3 -","- C10 H20 Br2 Cu N8 O3.3 -","- C40 H80 Br8 Cu4 N32 O13.2 -","4","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0811","0.0503","","","0.1291","0.1435","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216572","8.506","0.003","10.264","0.002","10.715","0.002","111.71","0.02","93.51","0.02","103.06","0.02","835.7","0.4","220","1","220","1","","","","","","","","6","P -1","-P 1","2","[CuL2m]Cl2.2H2O","","","- C8 H22 Cl2 Cu N8 O4 -","- C8 H22 Cl2 Cu N8 O4 -","- C16 H44 Cl4 Cu2 N16 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0777","0.0521","","0.1114","","0.0936","","","1.189","","","1.181","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216573","19.013","0.002","19.013","0.002","14.026","0.004","90","","90","","90","","5070.3","1.6","223","","223","","","","","","","","see paper","6","I -4 2 d","I -4 2bw","122","Compound 5","tris(rac-trans-1,2-diaminocyclohexane)chromium(III) trichloride dihydrate","","- C18 H46 Cl3 Cr N6 O2 -","- C18 H46 Cl3 Cr N6 O2 -","- C144 H368 Cl24 Cr8 N48 O16 -","8","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0357","0.0333","","","0.084","0.0848","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216574","18.924","0.004","19.117","0.003","13.892","0.004","90","","90","","90","","5026","2","213","","213","","","","","","","","see paper","7","I 21 21 21","I 2b 2c","24","Compound 7","Delta-tris(R,R-trans-1,2-diaminocyclohexane)chromiumtrichloride Lambda-tris(S,S-trans-1,2-diaminocyclohexane)cobalt(III)trichloride tetrahydrate","","- C36 H92 Cl6 Co Cr N12 O4 -","- C36 H92 Cl6 Co Cr N12 O4 -","- C144 H368 Cl24 Co4 Cr4 N48 O16 -","4","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0477","0.0395","","","0.0962","0.0987","","","","","","1.05","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216575","10.4005","0.0004","11.8621","0.0005","17.3981","0.0007","97.621","0.001","90.256","0.001","111.417","0.001","1977.31","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","1","0.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0412","0.0338","","","0.0862","0.0901","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216576","7.7127","0.0004","24.2056","0.0012","36.5848","0.0018","90","","94.75","0.001","90","","6806.6","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraphenylphosponium vanadium oxide","","- C48 H40 O11 P2 V4 -","- C48 H40 O11 P2 V4 -","- C288 H240 O66 P12 V24 -","6","1.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0928","0.0547","","","0.106","0.1216","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216577","25.2074","0.0016","9.8028","0.0006","17.4609","0.0011","90","","94.077","0.001","90","","4303.7","0.5","90","1","90","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","diPhAnthracene-C60","Diphenyl anthracene fullerene-C60 complex","","- C86 H18 -","- C86 H18 -","- C344 H72 -","4","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0572","0.0388","","","0.0888","0.097","","","","","","1.032","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216578","13.255","0.003","18.55","0.005","18.597","0.005","90","","108.882","0.006","90","","4326.6","1.9","110","1","110","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C60 TPB clathrate","[60]fullerene triphenylbenzene clathrate","","- C84 H18 -","- C84 H18 -","- C336 H72 -","4","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.185","0.0812","","0.2195","0.174","","","","0.932","1.204","1.204","","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216579","10.089","0.006","12.709","0.005","13.642","0.005","91.17","0.04","91.06","0.05","111.42","0.03","1627.4","1.3","110","1","110","1","","","","","","","","3","P -1","-P 1","2","","[60]fullerene 1,3,5-triphenylbenzene chlorobenzene clathrate","","- C114 H41 Cl -","- C114 H41 Cl -","- C114 H41 Cl -","1","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.1158","0.0904","","","0.2414","0.2719","","","","","","1.044","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216580","10.4757","0.0007","32.92","0.002","10.3173","0.0007","90","","118.224","0.002","90","","3135","0.4","90","1","90","1","","","","","","","","2","C 1 2/m 1","-C 2y","12","TetraPhEthylene-C60","Tetraphenylehtylene fullerene-C60 complex","","- C28 H10 -","- C28 H10 -","- C224 H80 -","8","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0876","0.0563","","","0.1327","0.1473","","","","","","0.962","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216581","4.0446","0.0002","15.7964","0.0009","11.6721","0.0006","90","","91.563","0.003","90","","745.45","0.07","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N4 Na O2 Se4 -","- C8 H8 Cu N4 Na O2 Se4 -","- C16 H16 Cu2 N8 Na2 O4 Se8 -","2","0.5","","Ribas, Xavi; Dias, Jo�o; Morgado, Jorge; Wurst, Klaus; Almeida, Manuel; Veciana, Jaume; Rovira, Concepci�","Novel Cu(iii) bis-1,2-diselenolene complex with a highly extended 3D framework through Na+ coordination","CrystEngComm","2002","4","93","564","","10.1039/b209330h","","","0.71073","MoKα","","0.0343","0.029","","","0.0644","0.0663","","","","","","1.067","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216582","6.057","0.002","6.941","0.001","9.381","0.001","90","","94.5","0.02","90","","393.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N6 Ni S2 -","- C2 H8 N6 Ni S2 -","- C4 H16 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0385","0.0348","","","0.084","0.0861","","","","","","1.122","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216583","9.956","0.002","4.6144","0.001","10.907","0.002","90","","110.034","0.005","90","","470.76","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 N6 Ni S2 -","- C4 H12 N6 Ni S2 -","- C8 H24 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.6898","Synchrotron","","0.0388","0.0286","","","0.0593","0.0617","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216584","5.706","0.0003","7.19","0.0006","7.746","0.0007","71.278","0.003","88.176","0.005","82.442","0.005","298.34","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0353","0.03","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216585","5.6675","0.0004","7.6228","0.0007","8.0307","0.0007","91.356","0.005","94.19","0.005","96.79","0.005","343.41","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0523","0.0352","","","0.0743","0.0807","","","","","","0.97","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216586","26.901","0.006","26.901","0.006","5.7535","0.0012","90","","90","","120","","3605.8","1.4","150","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H24 N6 Ni S2 -","- C10 H24 N6 Ni S2 -","- C90 H216 N54 Ni9 S18 -","9","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0501","0.046","","","0.1015","0.1033","","","","","","1.211","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216587","13.8567","0.0008","8.1216","0.0005","17.0761","0.001","90","","102.229","0.001","90","","1878.11","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.0345","0.0244","","","0.0649","0.07","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216588","7.5427","0.0003","12.6346","0.0006","13.8675","0.0006","79.491","0.001","83.787","0.001","81.277","0.001","1279.94","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","1","0.5","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.035","0.0264","","","0.0682","0.073","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216589","9.4585","0.0002","10.2286","0.0002","15.4751","0.0004","71.744","0.001","87.438","0.001","66.696","0.001","1300.42","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","3-{2-[2-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1,1- diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethyethylenediamine toluene solvate","","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.174","0.0793","","","0.2403","0.2911","","","","","","0.951","","","","has coordinates,has disorder","288216","2023-12-11","20:37:33",""
"7216590","9.1559","0.0002","10.5862","0.0003","11.6018","0.0004","89.27","0.001","84.726","0.002","65.225","0.002","1016.28","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl} -1,1-diphenyl-prop-2-yn-1-ol pyridine solvate","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1417","0.0489","","","0.0941","0.1176","","","","","","0.888","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216591","9.0344","0.0002","6.3416","0.0002","40.15","","90","","94.456","0.003","90","","2293.34","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{4-[4-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}- 1,1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylmethylenediamine solvate","","- C52 H58 N6 O2 -","- C52 H58 N6 O2 -","- C104 H116 N12 O4 -","2","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1553","0.0539","","","0.1001","0.1287","","","","","","0.897","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216592","6.3341","0.0002","10.972","0.0003","16.0192","0.0005","104.947","0.001","94.277","0.001","93.557","0.002","1068.81","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1, 1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylethylenediamine dichloromethane solvate","","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1114","0.0699","","","0.187","0.21","","","","","","1.071","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216593","13.842","0.003","21.609","0.004","7.486","0.002","90","","93.653","0.004","90","","2234.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL3e]{BF2(OMe)2}(BF4)","1,2-Bis(amidino-O-ethylurea)ethanecopper(II) difluorodimethoxyborate tetrafluoroborate","","- C12 H28 B2 Cu F6 N8 O4 -","- C12 H28 B2 Cu F6 N8 O4 -","- C48 H112 B8 Cu4 F24 N32 O16 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0707","0.0452","","","0.121","0.1301","","","","","","1.001","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216594","14.907","0.003","11.442","0.002","10.488","0.002","90","","94.78","0.03","90","","1782.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL2m](BF4)2","1,2-Bis(amidino-O-methylurea)ethanecopper(II) tetrafluoroborate","","- C8 H18 B2 Cu F8 N8 O2 -","- C8 H18 B2 Cu F8 N8 O2 -","- C32 H72 B8 Cu4 F32 N32 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0575","0.0477","","","0.1331","0.1398","","","","","","1.07","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216595","5.316","0.001","7.505","0.002","10.365","0.002","107.07","0.02","98.9","0.02","95.48","0.02","386.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Mn0.5 O8 -","- C3 H10 Cu0.5 Mn0.5 O8 -","- C6 H20 Cu Mn O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0532","0.0491","","","0.1341","0.1387","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216596","5.266","0.001","7.495","0.001","10.332","0.002","107.14","0.001","98.99","0.002","96.17","0.001","379.77","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Co0.5 Cu0.5 O8 -","- C3 H10 Co0.5 Cu0.5 O8 -","- C6 H20 Co Cu O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0314","0.0288","","","0.0855","0.09","","","","","","0.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216597","5.242","0.001","7.48","0.003","10.278","0.004","107.15","0.03","98.77","0.03","96.34","0.03","375.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Ni0.5 O8 -","- C3 H10 Cu0.5 Ni0.5 O8 -","- C6 H20 Cu Ni O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0476","0.0273","","","0.077","0.096","","","","","","0.705","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216598","5.241","0.001","7.584","0.0015","10.219","0.002","106.53","0.03","99.52","0.03","93.85","0.03","381.22","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 Cu O8 -","- C3 H10 Cu O8 -","- C6 H20 Cu2 O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0526","0.0498","","","0.1257","0.1285","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216599","5.274","0.002","7.5042","0.001","10.314","0.002","106.919","0.01","99.15","0.02","95.81","0.02","380.83","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 O8 Zn0.5 -","- C3 H10 Cu0.5 O8 Zn0.5 -","- C6 H20 Cu O16 Zn -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.047","0.0439","","","0.116","0.119","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216600","9.6113","0.0006","15.4223","0.0011","15.8657","0.0011","101.068","0.001","102.869","0.001","105.546","0.001","2128","0.3","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 S4 Zn -","- C8 H14 O2 S4 Zn -","- C48 H84 O12 S24 Zn6 -","6","3","","Lai, Chian Sing; Lim, Yu Xian; Yap, Timothy C.; Tiekink, Edward R. T.","Molecular paving with zinc thiolates","CrystEngComm","2002","4","99","596","","10.1039/b210187d","","","0.71069","MoKalpha","","0.079","0.051","","","0.114","0.137","","","","","","1.02","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216601","17.2158","0.0007","19.9156","0.0009","14.3422","0.0006","90","","103.988","0.002","90","","4771.6","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C192 H176 B8 Cu4 F32 N16 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0374","0.0293","","","0.0721","0.0783","","","","","","1.044","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216602","9.5206","0.0007","10.6097","0.0007","13.0115","0.0009","102.414","0.002","100.311","0.002","107.168","0.002","1184.26","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0399","0.0332","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216603","14.6815","0.0005","10.149","0.0003","35.2706","0.0011","90","","99.88","0.002","90","","5177.5","0.3","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H47 B2 Cu F8 N5 S4 -","- C50 H47 B2 Cu F8 N5 S4 -","- C200 H188 B8 Cu4 F32 N20 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0592","0.0432","","","0.1094","0.1197","","","","","","1.044","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216604","10.5191","0.0004","17.3144","0.0006","29.5797","0.001","90","","91.455","0.002","90","","5385.7","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C108 H99 B4 Cu2 F16 N9 S9 -","- C108 H99 B4 Cu2 F16 N9 S9 -","- C216 H198 B8 Cu4 F32 N18 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0656","0.052","","","0.1285","0.1416","","","","","","1.014","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216605","7.118","0.003","7.303","0.003","12.172","0.004","84.61","0.03","79.88","0.03","64.5","0.03","562.1","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-cyanoguanidine 2-(N-cyano)imino-4,6-dimethylpyrimidine adduct (1:1)","","- C9 H12 N8 -","- C9 H12 N8 -","- C18 H24 N16 -","2","1","","Quinlan, Daniel J.; Blake, Alexander J.; Hubberstey, Peter","Hydrogen-bonded two-dimensional sheet construction in the 1?1 adduct between 2-cyanoguanidine and 2-(N-cyano)imino-4,6-dimethylpyrimidine","CrystEngComm","2002","4","94","568","","10.1039/b208058n","","","0.71073","MoKα","","0.0916","0.06","","","0.1185","0.145","","","","","","1.234","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216606","15.1936","0.0002","7.2404","0.0001","17.3198","0.0001","90","","96.105","0.001","90","","1894.51","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0625","0.0443","","","0.1193","0.1296","","","","","","1.059","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216607","6.1009","0.0007","8.0739","0.0009","13.4904","0.0015","83.523","0.002","80.384","0.001","87.233","0.002","650.7","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","1","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0887","0.0527","","","0.13","0.148","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216608","8.9416","0.0011","8.1164","0.001","18.832","0.002","90","","91.627","0.003","90","","1366.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.1171","0.0981","","","0.2763","0.2994","","","","","","1.075","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216617","6.6943","0.0006","15.4475","0.0015","15.5647","0.0015","94.626","0.001","98.453","0.001","101.528","0.001","1549.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H58 N2 O3 -","- C31 H58 N2 O3 -","- C62 H116 N4 O6 -","2","1","","Fang, Yuan; Salamé, Nadime; Woo, Simon; Bohle, D. Scott; Friščić, Tomislav; Cuccia, Louis A.","Rapid and facile solvent-free mechanosynthesis in a cell lysis mill: preparation and mechanochemical complexation of aminobenzoquinones","CrystEngComm","2014","16","31","7180","","10.1039/C4CE00328D","","","0.71073","MoKα","","0.0917","0.0724","","","0.1856","0.202","","","","","","1.069","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216618","7.116","0.002","9.994","0.004","19.147","0.007","81.47","0.009","82.505","0.008","87.191","0.008","1334.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin diflunisal salt","","","- C30 H26 F3 N3 O6 -","- C30 H26 F3 N3 O6 -","- C60 H52 F6 N6 O12 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.0822","0.0418","","","0.1122","0.1631","","","","","","0.853","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216619","10.325","0.004","12.615","0.005","12.916","0.005","71.51","0.007","74.334","0.007","70.672","0.007","1479.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin indoprofen hydrate salt","","","- C34 H35 F N4 O7 -","- C34 H35 F N4 O7 -","- C68 H70 F2 N8 O14 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.1216","0.0548","","","0.1182","0.1472","","","","","","1.012","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216620","7.943","0.003","12.822","0.005","13.509","0.005","90","","90.626","0.012","90","","1375.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C52 H44 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.098","0.0456","","","0.1069","0.1362","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216621","7.7617","0.0002","12.4624","0.0003","13.3308","0.0004","90","","101.243","0.001","90","","1264.73","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0412","0.032","","","0.1034","0.117","","","","","","0.878","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216622","9.3173","0.0006","10.4833","0.0006","14.0375","0.0008","97.468","0.002","96.161","0.002","91.98","0.002","1350.01","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O10 Zn -","- C26 H18 N4 O10 Zn -","- C52 H36 N8 O20 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0677","0.0522","","","0.1759","0.1944","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216623","8.7935","0.0009","12.2071","0.0013","12.6146","0.0013","96.023","0.004","103.536","0.004","96.686","0.004","1295.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O9 -","- C26 H18 Cd N4 O9 -","- C52 H36 Cd2 N8 O18 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0365","0.0304","","","0.0893","0.1004","","","","","","1.187","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7216624","7.9016","0.0001","12.7481","0.0002","13.556","0.0002","90","","101.935","0.001","90","","1335.98","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C52 H52 Cd2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0298","0.0218","","","0.0639","0.0777","","","","","","1.139","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216625","7.7788","0.0003","12.5459","0.0004","13.3501","0.0005","90","","101.483","0.001","90","","1276.79","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 O10 -","- C26 H26 Fe N4 O10 -","- C52 H52 Fe2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0405","0.0323","","","0.0934","0.1048","","","","","","1.082","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216626","8.8359","0.0006","19.4935","0.0013","8.0415","0.0005","90","","96.394","0.002","90","","1376.47","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O12 -","- C26 H26 Cu N4 O12 -","- C52 H52 Cu2 N8 O24 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0614","0.041","","","0.1103","0.1325","","","","","","1.126","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216627","9.0273","0.0008","9.6688","0.0008","15.3406","0.0012","90","","99.176","0.003","90","","1321.84","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H18 Cu N4 O10 -","- C52 H36 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.1039","0.0586","","","0.1359","0.1714","","","","","","1.113","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216628","8.793","0.001","9.8082","0.0011","15.5768","0.0018","90","","100.664","0.003","90","","1320.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0269","0.0252","","","0.071","0.072","","","","","","1.049","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216629","10.6479","0.0004","11.0165","0.0005","12.9533","0.0005","106.997","0.002","96.481","0.002","106.063","0.002","1364.97","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O9 Zn -","- C27 H26 N4 O9 Zn -","- C54 H52 N8 O18 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0438","0.0359","","","0.101","0.1067","","","","","","1.041","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216630","20.3394","0.0016","10.1426","0.0007","14.968","0.0009","90","","104.5","0.005","90","","2989.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Cd N4 O11 -","- C28 H25 Cd N4 O11 -","- C112 H100 Cd4 N16 O44 -","4","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.03","0.0253","","","0.069","0.0715","","","","","","1.12","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216631","16.5778","0.0008","16.9789","0.0008","21.804","0.001","90","","94.606","0.002","90","","6117.4","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 Cl2 N4 O11 -","- C26 H20 Cd2 Cl2 N4 O11 -","- C208 H160 Cd16 Cl16 N32 O88 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0528","0.0362","","","0.0988","0.1171","","","","","","1.023","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216632","9.4072","0.0003","12.735","0.0003","17.8919","0.0005","90","","90","","90","","2143.46","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0965","0.0526","","","0.1295","0.1543","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216633","18.1964","0.0007","8.1426","0.0003","3.9569","0.0001","90","","124.043","0.002","90","","485.8","0.03","293","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H6 Ca Cl2 N2 O -","- C6 H6 Ca Cl2 N2 O -","- C12 H12 Ca2 Cl4 N4 O2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.222","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216634","17.5215","0.0006","11.4158","0.0004","6.7943","0.0002","90","","90","","90","","1359.01","0.08","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 Ca Cl2 N2 O5 -","- C6 H6 Ca Cl2 N2 O5 -","- C24 H24 Ca4 Cl8 N8 O20 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","0.03117","1.46","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216635","10.18","0.002","11.926","0.002","13.693","0.003","105.79","0.03","97.96","0.03","95.69","0.03","1567.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N11 Nd O13 -","- C24 H24 N11 Nd O13 -","- C48 H48 N22 Nd2 O26 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0414","0.0376","","","0.1057","0.122","","","","","","1.19","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216636","28.898","0.006","7.76","0.0016","19.778","0.004","90","","104.39","0.03","90","","4296","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 La N4 O7 -","- C12 H22 Cl3 La N4 O7 -","- C96 H176 Cl24 La8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0627","0.0537","","","0.1187","0.123","","","","","","1.249","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216637","28.77","0.006","7.739","0.0015","19.629","0.004","90","","104.26","0.03","90","","4235.8","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 Nd O7 -","- C12 H22 Cl3 N4 Nd O7 -","- C96 H176 Cl24 N32 Nd8 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0276","0.0262","","","0.0598","0.0607","","","","","","1.135","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216638","28.794","0.006","7.7507","0.0016","19.683","0.004","90","","104.34","0.03","90","","4255.9","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Pr -","- C12 H22 Cl3 N4 O7 Pr -","- C96 H176 Cl24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0497","0.0419","","","0.0831","0.087","","","","","","1.105","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216639","28.712","0.006","7.7286","0.0015","19.559","0.004","90","","104.11","0.03","90","","4209.3","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Sm -","- C12 H22 Cl3 N4 O7 Sm -","- C96 H176 Cl24 N32 O56 Sm8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0827","0.0747","","","0.1904","0.2011","","","","","","1.18","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216640","28.616","0.006","7.7264","0.0015","19.526","0.004","90","","104.04","0.03","90","","4188.2","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 Gd N4 O7 -","- C12 H22 Cl3 Gd N4 O7 -","- C96 H176 Cl24 Gd8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0396","0.0357","","","0.1016","0.1163","","","","","","1.238","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216641","8.6514","0.0017","9.1529","0.0018","14.048","0.003","96.25","0.03","99.78","0.03","105.83","0.03","1040.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl3 Er N4 O7 -","- C12 H22 Cl3 Er N4 O7 -","- C24 H44 Cl6 Er2 N8 O14 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0254","0.0246","","","0.0679","0.0684","","","","","","1.201","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216642","29.485","0.006","7.878","0.0016","20.344","0.004","90","","103.39","0.03","90","","4597.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Br3 N4 O7 Pr -","- C12 H22 Br3 N4 O7 Pr -","- C96 H176 Br24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.082","0.0646","","","0.1693","0.1984","","","","","","1.221","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216645","14.3564","0.0012","13.8963","0.0012","18.4197","0.0015","90","","90","","90","","3674.7","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H44 Mo6 N6 O29.5 P -","- C6 H13 Mo6 N6 O29.5 P -","- C24 H52 Mo24 N24 O118 P4 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0325","0.0307","","","0.0825","0.0837","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216646","14.932","0.005","13.158","0.004","23.575","0.007","90","","90","","90","","4632","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 Mo6 N8 Na O34 P -","- C18 H30 Mo6 N8 Na O34 P -","- C72 H120 Mo24 N32 Na4 O136 P4 -","4","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0356","0.0323","","","0.0852","0.0874","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216647","24.95","0.008","21.344","0.007","21.084","0.006","90","","120.51","0.006","90","","9673","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H51 Mo6 N6 O36 P -","- C21 H18 Mo6 N6 O36 P -","- C168 H144 Mo48 N48 O288 P8 -","8","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0698","0.0431","","","0.1046","0.121","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216648","12.375","0.002","12.611","0.003","18.842","0.004","79.892","0.004","89.735","0.004","70.484","0.003","2723.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H49 Mo6 N5 O38 P -","- C21 H15 Mo6 N5 O38 P -","- C42 H30 Mo12 N10 O76 P2 -","2","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0625","0.0504","","","0.1708","0.1794","","","","","","1.062","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216649","15.184","0.006","17.929","0.007","16.115","0.006","90","","117.472","0.006","90","","3892","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H66 Mo12 N10 O60 P2 -","- C12 H12 Mo12 N10 O60 P2 -","- C24 H24 Mo24 N20 O120 P4 -","2","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1559","0.1098","","","0.3193","0.3417","","","","","","1.043","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216650","18.1471","0.0018","26.828","0.003","19.2959","0.0019","90","","115.157","0.002","90","","8503.1","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H79 Mo12 N10 O60.5 P2 -","- C18 H24 Mo12 N10 O60.5 P2 -","- C72 H96 Mo48 N40 O242 P8 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1712","0.0685","","","0.1587","0.188","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216651","20.299","0.007","6.988","0.004","6.747","0.003","90","","99.2","0.04","90","","944.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","semicarbazide 5 metastable polymorph","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0837","0.0577","","","0.1254","0.1363","","","","","","1.121","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216652","4.524","0.003","23.583","0.007","9.537","0.004","90","","108.39","0.02","90","","965.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrophenylbenzamido)urea","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.084","0.049","","","0.1047","0.121","","","","","","1.023","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216653","4.508","0.003","24.111","0.007","9.612","0.004","90","","105.38","0.03","90","","1007.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-cyanobenzamide)urea","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.1524","0.0822","","","0.2468","0.2852","","","","","","1.09","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216654","4.513","0.002","20.038","0.007","9.619","0.005","90","","106.34","0.02","90","","834.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(isonicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0932","0.0484","","","0.0967","0.111","","","","","","1.066","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216655","7.785","0.004","13.578","0.006","8.459","0.004","90","","99.74","0.02","90","","881.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-fluorobenzamide)urea","","- C8 H8 F N3 O2 -","- C8 H8 F N3 O2 -","- C32 H32 F4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.082","0.0623","","","0.2158","0.2268","","","","","","1.215","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216656","6.786","0.004","4.604","0.003","30.169","0.008","90","","90.76","0.03","90","","942.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0878","0.0448","","","0.0931","0.1114","","","","","","0.983","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216657","12.972","0.0011","5.0426","0.0004","17.0878","0.0015","90","","92.47","0.004","90","","1116.72","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TW-1-107 [2-(4-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0329","0.0256","","","0.0589","0.0622","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216658","12.3214","0.0007","8.9036","0.0005","9.8742","0.0006","90","","100.493","0.001","90","","1065.13","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 I2 N6 -","- C18 H14 F4 I2 N6 -","- C36 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0224","0.0215","","","0.0564","0.057","","","","","","1.037","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216659","14.35","0.0009","8.7642","0.0005","9.9637","0.0006","90","","106.551","0.002","90","","1201.18","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-07 [2-(3-pyridyl)-imidazole]2, I-(CF2)4-I","","- C20 H14 F8 I2 N6 -","- C20 H14 F8 I2 N6 -","- C40 H28 F16 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.0284","","","0.0626","0.0639","","","","","","1.11","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216660","10.0009","0.0013","28.964","0.004","4.1036","0.0006","90","","100.997","0.002","90","","1166.8","0.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0221","0.0203","","","0.0462","0.047","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216661","4.1462","0.0003","27.9646","0.0017","9.9124","0.0006","90","","100.094","0.002","90","","1131.52","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-27 [2-(3-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0301","0.0254","","","0.0586","0.0607","","","","","","1.022","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216662","32.4147","0.0016","9.9354","0.0005","7.4776","0.0004","90","","90","","90","","2408.2","0.2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-57 [2-(3-pyridyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C22 H14 F3 I3 N6 -","- C22 H14 F3 I3 N6 -","- C88 H56 F12 I12 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.042","0.0343","","","0.0781","0.0805","","","","","","1.157","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216663","4.2333","0.0003","32.768","0.002","9.9627","0.0008","90","","93.76","0.001","90","","1379.02","0.17","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","TW-1-67 [2-(3-pyridyl)-imidazole], 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C56 H28 F16 I4 N12 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0216","0.0205","","","0.0475","0.048","","","","","","1.027","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216664","4.0019","0.0011","28.546","0.008","9.972","0.003","90","","98.464","0.008","90","","1126.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-1-47 [2-(3-pyridyl)-imidazole]2, 1-bromo-4-iodotetrafluorobenzene","","- C22 H14 Br F4 I N6 -","- C22 H14 Br F4 I N6 -","- C44 H28 Br2 F8 I2 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.1276","0.1103","","","0.2375","0.2432","","","","","","1.348","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216665","5.1393","0.0006","11.0259","0.0012","15.2795","0.0017","92.084","0.003","91.221","0.003","100.093","0.003","851.52","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-13 [2-(2-pyridyl)-imidazole]3, I-(CF2)6-I","","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","1.54178","CuKα","","0.0391","0.0368","","","0.1201","0.1302","","","","","","1.257","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216666","9.392","0.0005","10.5244","0.0006","17.4011","0.001","106.841","0.002","92.19","0.002","106.005","0.002","1569.34","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-R38 2-(2-pyridyl)-imidazole, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","2","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.027","","","0.0654","0.0688","","","","","","1.056","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216667","24.4359","0.0012","7.2667","0.0004","16.3695","0.0008","90","","109.713","0.001","90","","2736.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","TW-1-68 [2-(2-pyridyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C112 H56 F32 I8 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0251","0.0231","","","0.0559","0.057","","","","","","1.029","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216668","6.1488","0.0007","6.3967","0.0007","15.8942","0.0019","81.861","0.004","85.95","0.004","72.388","0.003","589.59","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-09 2-(2-pyrazinyl)-imidazole, I-(CF2)4-I","","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.049","0.0314","","","0.1023","0.1144","","","","","","1.14","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216669","11.0717","0.0006","10.625","0.0006","10.1858","0.0006","90","","108.814","0.002","90","","1134.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-1-M1 2-(2-pyrazinyl)-imidazole, 1,4-diiodotetrafluorobenzene, I-(CF2)4-I","","- C20 H12 F4 I2 N8 -","- C20 H12 F4 I2 N8 -","- C40 H24 F8 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0249","0.0219","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216670","33.0655","0.0016","9.8284","0.0005","7.3176","0.0003","90","","90","","90","","2378.08","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-59 [2-(2-pyrazinyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C20 H12 F3 I3 N8 -","- C20 H12 F2.5 I3 N8 -","- C80 H48 F10 I12 N32 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0269","0.0212","","","0.046","0.048","","","","","","1.046","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216671","7.6527","0.0004","12.7331","0.0007","15.4446","0.0009","67.32","0.001","88.558","0.002","81.616","0.001","1372.95","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-69 [2-(2-pyrazinyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C26 H12 F8 I2 N8 -","- C26 H12 F8 I2 N8 -","- C52 H24 F16 I4 N16 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0234","0.021","","","0.0505","0.0516","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216672","18.175","0.003","8.3359","0.0014","20.6","0.004","90","","91.868","0.003","90","","3119.3","1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K La N4 O10.5 S2 -","- C8 H5 K La N4 O10.5 S2 -","- C64 H40 K8 La8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0253","0.021","","","0.0499","0.0526","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216673","18.1735","0.0007","8.3436","0.0003","20.5557","0.0008","90","","91.699","0.001","90","","3115.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Ce K N4 O10.5 S2 -","- C8 H5 Ce K N4 O10.5 S2 -","- C64 H40 Ce8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.021","0.0187","","","0.0475","0.0494","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216674","18.1389","0.0014","8.3629","0.0006","20.4829","0.0015","90","","91.505","0.001","90","","3106.1","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 Pr S2 -","- C8 H5 K N4 O10.5 Pr S2 -","- C64 H40 K8 N32 O84 Pr8 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0226","0.0196","","","0.043","0.0446","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216675","18.077","0.004","8.3675","0.0017","20.38","0.004","90","","91.14","0.03","90","","3082.1","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 Nd O10.5 S2 -","- C8 H5 K N4 Nd O10.5 S2 -","- C64 H40 K8 N32 Nd8 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0309","0.0227","","","0.0437","0.0464","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216676","18.031","0.0018","8.3836","0.0008","20.254","0.002","90","","90.938","0.001","90","","3061.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Sm -","- C8 H5 K N4 O10.5 S2 Sm -","- C64 H40 K8 N32 O84 S16 Sm8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0299","0.028","","","0.0645","0.0652","","","","","","1.258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216677","18.017","0.007","8.423","0.004","20.231","0.008","90","","90.709","0.006","90","","3070","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Eu K N4 O10.5 S2 -","- C8 H5 Eu K N4 O10.5 S2 -","- C64 H40 Eu8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0212","0.0193","","","0.0452","0.0463","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216678","17.9598","0.0011","8.3889","0.0005","20.1191","0.0013","90","","90.639","0.001","90","","3031","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Gd K N4 O10.5 S2 -","- C8 H5 Gd K N4 O10.5 S2 -","- C64 H40 Gd8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0198","0.0181","","","0.042","0.0428","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216679","17.9851","0.0018","8.41","0.0008","20.1083","0.0019","90","","90.563","0.002","90","","3041.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Tb -","- C8 H5 K N4 O10.5 S2 Tb -","- C64 H40 K8 N32 O84 S16 Tb8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0199","0.019","","","0.0455","0.0461","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216680","8.2691","0.0006","10.3254","0.0007","10.9614","0.0012","102.769","0.001","109.274","0.001","111.52","0.001","756.93","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0261","0.0234","","","0.0622","0.0637","","","","","","1.092","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216681","8.2471","0.0012","10.2753","0.0014","10.915","0.002","102.534","0.003","109.195","0.003","112.16","0.002","745","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0444","0.0384","","","0.0814","0.0852","","","","","","1.048","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216682","7.0404","0.0003","13.0015","0.0006","13.7338","0.0006","90","","100.881","0.001","90","","1234.53","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 La2 N6 O14 S3 -","- C12 La2 N6 O14 S3 -","- C24 La4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0283","0.0279","","","0.0908","0.091","","","","","","1.102","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216683","6.975","0.005","12.901","0.008","13.551","0.009","90","","100.729","0.011","90","","1198.1","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 Ce2 N6 O14 S3 -","- C12 Ce2 N6 O14 S3 -","- C24 Ce4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0766","0.0718","","","0.1759","0.1796","","","","","","1.007","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216684","18.7481","0.0018","20.0714","0.0019","32.865","0.003","90","","98.535","0.001","90","","12230","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C155 H111 Co10 N9 O43 -","- C155 H95 Co10 N9 O43 -","- C310 H190 Co20 N18 O86 -","2","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.1164","0.064","","","0.1975","0.2584","","","","","","1.093","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216685","22.476","0.005","7.706","0.0018","22.255","0.005","90","","102.056","0.011","90","","3769.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co3 N2 O14 -","- C40 H24 Co3 N2 O14 -","- C160 H96 Co12 N8 O56 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0315","0.0288","","","0.0798","0.0817","","","","","","1.063","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216686","17.343","0.017","15.231","0.015","8.426","0.012","90","","117.09","0.02","90","","1982","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O5 Zn -","- C19 H11 N O4 Zn -","- C76 H44 N4 O16 Zn4 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0404","0.0366","","","0.107","0.1088","","","","","","1.152","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216687","9.69","0.003","11.998","0.004","19.891","0.007","96.548","0.004","99.122","0.004","113.712","0.004","2049.7","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Co2 N4 O12 -","- C38 H22 Co2 N2 O10 -","- C76 H44 Co4 N4 O20 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0571","0.051","","","0.1576","0.166","","","","","","1.129","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216688","9.6769","0.0017","10.0627","0.0018","12.108","0.002","72.146","0.002","66.911","0.002","74.995","0.002","1019.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Mn N2 O6 -","- C22 H18 Mn N2 O6 -","- C44 H36 Mn2 N4 O12 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0796","0.06","","","0.1709","0.203","","","","","","1.122","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216689","10.469","0.01","10.611","0.011","11.429","0.011","89.177","0.014","65.827","0.013","66.661","0.013","1046.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co N2 O5 -","- C22 H18 Co N2 O5 -","- C44 H36 Co2 N4 O10 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0727","0.064","","","0.1829","0.1916","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216690","10.0616","0.0008","12.9846","0.0011","13.0016","0.0011","75.44","0.002","78.837","0.002","83.287","0.002","1608.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0836","0.0771","","","0.2283","0.2358","","","","","","1.098","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216691","7.1089","0.0014","13.125","0.003","13.376","0.003","93.524","0.003","93.563","0.003","99.823","0.004","1224.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cu N3 O12 -","- C21 H27 Cu N3 O12 -","- C42 H54 Cu2 N6 O24 -","2","1","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0364","0.0335","","","0.0901","0.0923","","","","","","1.031","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216692","13.9922","0.0013","15.9422","0.0015","16.2434","0.0015","70.832","0.002","69.321","0.002","88.235","0.002","3187.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0896","0.0737","","","0.2108","0.2254","","","","","","1.069","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216693","30.925","0.003","13.245","0.0011","19.2577","0.0015","90","","106.047","0.002","90","","7580.6","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Cu3 N10 O21 -","- C66 H48 Cu3 N10 O21 -","- C264 H192 Cu12 N40 O84 -","4","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.1","0.0787","","","0.2443","0.2613","","","","","","1.062","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216702","22.267","0.003","22.267","0.003","23.162","0.003","90","","90","","90","","11484","3","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 Cu4 I4 N16 O10 -","- C40 H48 Cu4 I4 N16 O10 -","- C320 H384 Cu32 I32 N128 O80 -","8","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1293","0.0591","","","0.1323","0.1712","","","","","","1.012","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216703","16.408","0.005","23.207","0.007","16.67","0.005","90","","98.473","0.005","90","","6278","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Cu6 I6 N17 O8 -","- C42 H47 Cu6 I6 N17 O8 -","- C168 H188 Cu24 I24 N68 O32 -","4","1","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1358","0.0589","","","0.1398","0.1799","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7216704","11.541","0.003","13.901","0.003","20.769","0.004","91.178","0.003","90.148","0.003","107.497","0.003","3177","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H106 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","1","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.108","0.0655","","","0.2214","0.2463","","","","","","0.989","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216705","14.999","0.003","4.603","0.0009","16.068","0.003","90","","108.53","0.03","90","","1051.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Urea : 4,4'bipyridine Form I","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0481","0.0408","","","0.1373","0.1566","","","","","","1.254","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216706","25.07","0.004","9.1849","0.0015","4.5943","0.0008","90","","90","","90","","1057.9","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Urea : 4,4'bipyridine Form II","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.064","0.0513","","","0.131","0.1371","","","","","","1.141","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216707","7.86","0.008","8.308","0.008","8.547","0.008","87.812","0.014","82.149","0.003","65.9","0.014","504.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","salicylic acid:4,4'-bipyridine Form I","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","1","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0483","0.0442","","","0.1194","0.1228","","","","","","1.077","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216708","9.92","0.009","4.919","0.004","23.046","0.018","90","","114.28","0.03","90","","1025.1","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid:4,4'-bipyridine Form II","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0696","0.0582","","","0.1461","0.166","","","","","","1.06","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216709","7.1","0.005","23.968","0.005","10.935","0.005","90","","103.945","0.005","90","","1806","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0406","0.0328","","","0.0731","0.0753","","","","","","1.009","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216710","7.119","0.005","23.688","0.005","10.909","0.005","90","","103.36","0.005","90","","1789.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.032","0.0251","","","0.0575","0.0607","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216711","7.146","0.005","23.684","0.005","10.944","0.005","90","","103.455","0.005","90","","1801.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0334","0.0252","","","0.0585","0.0624","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216712","7.17","0.005","23.69","0.005","10.982","0.005","90","","103.569","0.005","90","","1813.3","1.6","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0345","0.0249","","","0.0569","0.0614","","","","","","1.039","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216713","7.202","0.005","23.718","0.005","11.025","0.005","90","","103.746","0.005","90","","1829.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0409","0.0278","","","0.0609","0.0666","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216714","7.235","0.005","23.768","0.005","11.072","0.005","90","","103.92","0.005","90","","1848","1.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0478","0.0305","","","0.065","0.0724","","","","","","1.022","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216715","7.104","0.005","23.968","0.005","10.941","0.005","90","","103.958","0.005","90","","1807.9","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0403","0.0318","","","0.071","0.0732","","","","","","0.998","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216716","7.103","0.005","23.963","0.005","10.942","0.005","90","","103.964","0.005","90","","1807.4","1.6","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.042","0.0327","","","0.0719","0.0742","","","","","","0.987","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216717","7.101","0.005","23.928","0.005","10.936","0.005","90","","103.958","0.005","90","","1803.3","1.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0522","0.0404","","","0.0988","0.1034","","","","","","0.983","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216718","7.096","0.005","23.843","0.005","10.917","0.005","90","","103.788","0.005","90","","1793.8","1.6","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0481","0.0359","","","0.0871","0.0911","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216719","7.102","0.005","23.707","0.005","10.91","0.005","90","","103.541","0.005","90","","1785.8","1.5","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0462","0.0352","","","0.0896","0.0931","","","","","","1.007","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216720","7.108","0.005","23.656","0.005","10.909","0.005","90","","103.439","0.005","90","","1784.1","1.5","135","2","135","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0414","0.0304","","","0.0757","0.079","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216721","11.3768","0.0009","21.2361","0.0015","12.4255","0.0009","90","","100.766","0.004","90","","2949.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34.8 N4 O9.4 P3 -","- C23 H34 N4 O9.395 P3 -","- C92 H136 N16 O37.58 P12 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1468","0.0581","","","0.1338","0.1821","","","","","","0.916","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216722","11.4912","0.0009","9.4729","0.0007","22.7526","0.0018","90","","118.245","0.004","90","","2181.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N4 O8 P2 -","- C13 H24 N4 O7 P2 -","- C52 H96 N16 O28 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1032","0.0759","","","0.2319","0.2439","","","","","","1.056","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216723","15.269","0.003","8.82","0.002","21.635","0.005","90","","90","","90","","2913.6","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H41 N8 O6 P -","- C25 H41 N8 O6 P -","- C100 H164 N32 O24 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0858","0.0541","","","0.1342","0.1532","","","","","","0.933","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216724","26.1677","0.001","16.0917","0.0008","8.6296","0.0004","90","","90","","90","","3633.8","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H46 N8 O6 P2 -","- C34 H46 N8 O6 P2 -","- C136 H184 N32 O24 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1077","0.0494","","","0.1125","0.1441","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216725","10.364","0.003","16.227","0.004","11.093","0.003","90","","102.843","0.012","90","","1818.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N4 O5 P -","- C14 H23 N4 O5 P -","- C56 H92 N16 O20 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1719","0.0368","","","0.1236","0.1534","","","","","","1.082","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216726","11.6984","0.0005","19.793","0.0008","25.4741","0.0011","90","","92.012","0.002","90","","5894.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H44 N4 O7 P2 -","- C20.9975 H44 N4 O7 P2 -","- C167.98 H352 N32 O56 P16 -","8","4","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0888","0.0485","","","0.1033","0.1211","","","","","","0.995","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216727","24.4212","0.0006","8.3161","0.0002","13.2973","0.0004","90","","92.341","0.002","90","","2698.28","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1009","0.0461","","","0.1219","0.1494","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216728","6.1653","0.0007","17.4934","0.0018","12.4757","0.0013","90","","104.928","0.007","90","","1300.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1101","0.0838","","","0.2643","0.2906","","","","","","1.185","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216729","4.0558","0.0003","20.4472","0.0016","16.1833","0.0012","90","","102.878","0.005","90","","1308.32","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.071","0.0489","","","0.1227","0.1365","","","","","","1.078","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216730","13.103","0.0007","13.866","0.0008","15.6862","0.001","81.809","0.004","71.861","0.003","79.628","0.003","2652.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","4","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.234","0.0877","","","0.2065","0.2894","","","","","","0.987","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216731","3.9606","0.0003","12.1751","0.0008","31.027","0.002","90","","93.629","0.003","90","","1493.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.0702","0.0576","","","0.1757","0.1888","","","","","","1.064","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216732","13.041","0.005","14.26","0.005","20.45","0.005","77.812","0.005","78.2","0.005","66.431","0.005","3376.4","1.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H64 N12 Na Nb14 O60 V -","- C10 H50 N12 Na Nb14 O60 V -","- C20 H100 N24 Na2 Nb28 O120 V2 -","2","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71073","MoKα","","0.0657","0.0455","","","0.1298","0.1405","","","","","","1.054","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216733","32.849","0.005","32.849","0.005","13.718","0.005","90","","90","","90","","14803","6","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- H62 K7 N2 Na4 Nb14 O79 V -","- K7 N2 Na4 Nb14 O72 V -","- K56 N16 Na32 Nb112 O576 V8 -","8","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71069","MoKα","","0.0733","0.059","","","0.1524","0.1665","","","","","","1.055","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216734","9.835","0.007","10.222","0.007","16.06","0.01","83.79","0.01","76.41","0.01","87.92","0.01","1560.1","1.8","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C84 H66 -","3","1.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.0782","0.0582","","","0.1615","0.1822","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216735","8.846","0.003","8.839","0.003","10.016","0.003","74.927","0.006","64.092","0.005","68.128","0.006","649.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C34 H34 -","1","0.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.1203","0.0677","","","0.195","0.2321","","","","","","0.976","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216755","13.478","0.004","11.259","0.004","15.046","0.003","90","","93.77","0.03","90","","2278.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl4 Cu2 N4 O2 -","- C18 H26 Cl4 Cu2 N4 O2 -","- C72 H104 Cl16 Cu8 N16 O8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0586","0.0544","","","0.1409","0.1464","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216756","9.2753","0.0006","22.6255","0.0017","13.334","0.0008","90","","110.287","0.002","90","","2624.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl Cu2 N7 O7 -","- C21 H30 Cl Cu2 N7 O7 -","- C84 H120 Cl4 Cu8 N28 O28 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.1638","0.0691","","","0.1434","0.2025","","","","","","1.024","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216757","4.4013","0.0009","8.2656","0.0017","12.976","0.003","82.02","0.03","87","0.03","79.24","0.03","459.1","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","1","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0447","0.0382","","","0.098","0.1037","","","","","","1.086","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216758","13.095","0.005","13.001","0.005","13.439","0.005","90","","106.17","0.01","90","","2197.5","1.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu2 N10 O2 -","- C18 H22 Cu2 N10 O2 -","- C72 H88 Cu8 N40 O8 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.710747","MoKα","","0.0996","0.0668","","","0.1691","0.1844","","","","","","1.008","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216759","11.7941","0.0017","10.9501","0.0016","22.359","0.003","90","","90","","90","","2887.6","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","1","0.25","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0286","0.0284","","","0.0647","0.0648","","","","","","1.19","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216760","23.459","0.007","13.337","0.004","24.725","0.008","90","","102.957","0.005","90","","7539","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Gd Mo6 N2 O36 -","- C12 H10 Cr Gd Mo6 N2 O36 -","- C96 H80 Cr8 Gd8 Mo48 N16 O288 -","8","1","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0678","0.0635","","","0.1183","0.1202","","","","","","1.322","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216761","18.389","0.002","12.5427","0.0014","17.963","0.002","90","","104.117","0.002","90","","4018","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Tb -","- C12 H10 Cr Mo6 N2 O38 Tb -","- C48 H40 Cr4 Mo24 N8 O152 Tb4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0329","0.0313","","","0.0878","0.0972","","","","","","1.297","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216762","18.4316","0.0014","12.5601","0.001","17.9491","0.0014","90","","104.3","0.001","90","","4026.5","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Sm -","- C12 H10 Cr Mo6 N2 O38 Sm -","- C48 H40 Cr4 Mo24 N8 O152 Sm4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0376","0.0323","","","0.0785","0.081","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216769","9.961","0.005","17.323","0.004","10.814","0.005","90","","94.871","0.005","90","","1859.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C18 H16 N4 O6 S Zn -","- C18 H12 N4 O6 S Zn -","- C72 H48 N16 O24 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.074","0.0527","","","0.1315","0.1822","","","","","","1.118","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216770","10.1448","0.0012","11.9933","0.0014","13.9849","0.0016","90","","90","","90","","1701.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Coordination polymer","","","- C18 H12 Co N4 O4 S -","- C18 H12 Co N4 O4 S -","- C72 H48 Co4 N16 O16 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0439","0.0372","","","0.084","0.0908","","","","","","1.097","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216771","7.2476","0.0006","17.4087","0.0015","15.9969","0.0014","90","","90.364","0.002","90","","2018.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination polymer","","","- C19 H14 Co N4 O7 S -","- C19 H12 Co N4 O7 S -","- C76 H48 Co4 N16 O28 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1036","0.068","","","0.1669","0.1904","","","","","","1.032","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216772","7.2709","0.0015","17.234","0.003","16.173","0.003","90","","90.215","0.004","90","","2026.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C19 H14 N4 O7 S Zn -","- C19 H12 N4 O7 S Zn -","- C76 H48 N16 O28 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1077","0.0738","","","0.1935","0.2412","","","","","","1.084","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216773","28.205","0.006","12.181","0.002","15.442","0.003","90","","108.09","0.03","90","","5043.1","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 Co N4 O7 S -","- C24 H16 Co N4 O5 S -","- C192 H128 Co8 N32 O40 S8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0549","0.0431","","","0.1155","0.1334","","","","","","1.091","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216774","28.266","0.006","12.094","0.002","15.364","0.003","90","","107.51","0.03","90","","5008.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 N4 O7 S Zn -","- C24 H16 N4 O5 S Zn -","- C192 H128 N32 O40 S8 Zn8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0874","0.0529","","","0.1108","0.1207","","","","","","0.98","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216775","9.611","0.004","10.082","0.005","18.355","0.005","80.514","0.005","85.412","0.003","82.853","0.005","1737.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Coordination polymer","","","- C36 H26 Mn2 N8 O9 S2 -","- C36 H26 Mn2 N8 O9 S2 -","- C72 H52 Mn4 N16 O18 S4 -","2","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71069","MoKα","","0.0751","0.0529","","","0.1219","0.1419","","","","","","1.072","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216776","37.8858","0.0015","13.3212","0.0006","15.7766","0.0006","90","","101.541","0.002","90","","7801.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl3 N5 O5 S -","- C41 H35 Cl3 N5 O5 S -","- C328 H280 Cl24 N40 O40 S8 -","8","2","","Chadha, Renu; Bhandari, Swati; Haneef, Jamshed; Khullar, Sadhika; Mandal, Sanjay","Cocrystals of telmisartan: characterization, structure elucidation, in vivo and toxicity studies","CrystEngComm","2014","16","36","8375","","10.1039/C4CE00797B","","","0.71073","MoKα","","0.178","0.063","","","0.1372","0.1738","","","","","","0.846","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216777","8.7267","0.0018","21.838","0.006","8.408","0.003","90","","118.243","0.008","90","","1411.6","0.7","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C48 H128 O16 -","16","4","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.56087","AgKα","K-L~3~","0.1056","0.0585","","","0.1183","0.1429","","","","","","1.109","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216778","6.542","0.003","13.415","0.014","14.469","0.011","90","","99.79","0.02","90","","1251.3","1.7","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C36 H96 O12 -","12","3","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.71073","MoKα","K-L~3~","0.0718","0.0468","","","0.109","0.1231","","","","","","1.002","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216785","26.4001","0.0012","8.6506","0.0004","16.5796","0.0008","90","","115.898","0.001","90","","3406.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O7 -","- C14 H18 N2 Ni O7 -","- C112 H144 N16 Ni8 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0308","0.0255","","","0.0663","0.0694","","","","","","1.036","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216786","17.3192","0.0014","14.3739","0.0012","23.819","0.002","90","","90","","90","","5929.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N4 Ni2 O9 -","- C28 H26 N4 Ni2 O9 -","- C224 H208 N32 Ni16 O72 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.068","0.0344","","","0.0677","0.0799","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216787","13.7216","0.0012","7.2942","0.0006","16.2528","0.0014","90","","92.989","0.001","90","","1624.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 N2 Ni O4 -","- C14 H14 Cl2 N2 Ni O4 -","- C56 H56 Cl8 N8 Ni4 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0376","0.0351","","","0.0974","0.0996","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216788","11.761","0.004","16.623","0.005","13.751","0.003","90","","123.915","0.019","90","","2231","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cd2 N2 O14 S -","- C14 H24 Cd2 N2 O14 S -","- C56 H96 Cd8 N8 O56 S4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0903","0.0781","","","0.2097","0.2295","","","","","","1.037","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216789","7.5497","0.0009","8.1071","0.001","12.7747","0.0016","108.251","0.002","92.214","0.002","100.358","0.002","726.67","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N2 O5 -","- C14 H14 Cd N2 O5 -","- C28 H28 Cd2 N4 O10 -","2","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0277","0.0235","","","0.0541","0.0563","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216790","26.521","0.002","8.8621","0.0007","16.7474","0.0013","90","","117.78","0.001","90","","3482.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cu N2 O7 -","- C14 H18 Cu N2 O7 -","- C112 H144 Cu8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0443","0.0346","","","0.0894","0.0955","","","","","","1.042","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216791","26.42","0.002","8.6861","0.0007","16.7178","0.0013","90","","115.668","0.001","90","","3457.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O7 -","- C14 H18 Co N2 O7 -","- C112 H144 Co8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0289","0.0247","","","0.0657","0.0687","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216792","10.0704","0.0005","10.189","0.0005","7.1745","0.0004","90","","101.797","0.001","90","","720.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C28 H32 Mn2 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.024","0.023","","","0.0632","0.0639","","","","","","1.099","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216793","12.912","0.002","9.1366","0.0016","14.7843","0.0017","90","","122.411","0.009","90","","1472.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 Pb -","- C14 H12 N2 O4 Pb -","- C56 H48 N8 O16 Pb4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0378","0.03","","","0.0743","0.0794","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216794","28.732","0.0001","13.5996","0.0001","17.575","0.0001","90","","90","","90","","6867.32","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H24 Cl Mn0.5 N4 -","- C33 H24 Cl Mn0.5 N4 -","- C264 H192 Cl8 Mn4 N32 -","8","1","","Hua, Carol; D'Alessandro, Deanna M.","A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties","CrystEngComm","2014","16","28","6331","","10.1039/c3ce42603c","","","1.54178","CuKα","","0.0371","0.0342","","","0.0896","0.0941","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216795","15.9628","0.0009","15.9628","0.0009","14.4867","0.0016","90","","90","","120","","3196.8","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H12 N8 Ni O8 V2 -","- C4 H12 N8 Ni O8 V2 -","- C36 H108 N72 Ni9 O72 V18 -","9","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0687","0.0523","","","0.1532","0.1633","","","","","","1.074","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216796","9.7732","0.0006","10.5394","0.0006","11.4624","0.0007","105.693","0.001","91.6","0.001","114.386","0.001","1022.05","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0348","0.0293","","","0.0797","0.0822","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216797","9.8432","0.0007","10.5655","0.0007","11.5289","0.0008","105.811","0.001","91.594","0.001","114.252","0.001","1038.38","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0507","0.0402","","","0.1094","0.1143","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216798","9.844","0.0005","10.5676","0.0005","11.543","0.0006","105.887","0.001","91.797","0.001","114.183","0.001","1039.38","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0285","0.0273","","","0.1072","0.1092","","","","","","1.001","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216799","24.8443","0.0007","12.8836","0.0004","15.0538","0.0005","90","","96.709","0.003","90","","4785.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Ce2 N3 O21 -","- C33 H23 Ce2 N O17 -","- C132 H92 Ce8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0456","0.0343","","","0.0962","0.1011","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216800","24.7168","0.0007","13.0121","0.0004","14.9778","0.0005","90","","96.682","0.003","90","","4784.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 N3 O21 Pr2 -","- C33 H23 N O17 Pr2 -","- C132 H92 N4 O68 Pr8 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0484","0.0344","","","0.0958","0.1019","","","","","","1.061","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216801","24.5711","0.0007","13.2963","0.0004","14.7313","0.0005","90","","96.735","0.003","90","","4779.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Eu2 N3 O21 -","- C33 H23 Eu2 N O17 -","- C132 H92 Eu8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.068","0.0488","","","0.132","0.1476","","","","","","1.074","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216802","20.2686","0.0003","18.9736","0.0002","27.9855","0.0004","90","","107.632","0.001","90","","10256.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 La2 N2.5 O20 -","- C40 H38.5 La2 N2.5 O20.5 -","- C320 H308 La16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.1005","0.0819","","","0.2049","0.2214","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216803","19.8953","0.0003","18.6848","0.0002","27.9037","0.0004","90","","107.266","0.001","90","","9905.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Sm2 -","- C40 H38.5 N2.5 O20.5 Sm2 -","- C320 H308 N20 O164 Sm16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0527","0.0359","","","0.0825","0.0933","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216804","19.8267","0.0003","18.6253","0.0002","27.8685","0.0004","90","","107.1","0.001","90","","9836.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 Eu2 N2.5 O20 -","- C40 H38.5 Eu2 N2.5 O20.5 -","- C320 H308 Eu16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0859","0.0636","","","0.1451","0.1611","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216805","19.7427","0.0003","18.433","0.0002","27.8981","0.0004","90","","107.333","0.001","90","","9691.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Tb2 -","- C40 H38.5 N2.5 O21.5 Tb2 -","- C320 H308 N20 O172 Tb16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0754","0.0609","","","0.1556","0.1681","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216806","24.8112","0.0008","13.7461","0.0004","13.6627","0.0004","90","","99.153","0.003","90","","4600.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 O9 S2 Sm -","- C18.542 H17.626 O8 S1.771 Sm -","- C148.336 H141.008 O64 S14.168 Sm8 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0471","0.0399","","","0.1111","0.1162","","","","","","1.086","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216807","24.8718","0.0008","13.7591","0.0004","13.6832","0.0004","90","","98.949","0.003","90","","4625.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Nd O9 S2 -","- C18.56 H17.68 Nd O8 S1.78 -","- C148.48 H141.44 Nd8 O64 S14.24 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0446","0.0379","","","0.1085","0.1136","","","","","","1.093","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216808","36.0605","0.0019","5.2677","0.0002","19.4061","0.001","90","","113.793","0.007","90","","3373","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co2 N10 O12 -","- C32 H32 Co2 N10 O12 -","- C128 H128 Co8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0358","0.0309","","","0.0743","0.0772","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216809","36.364","0.002","5.3141","0.0003","19.5932","0.0011","90","","113.105","0.009","90","","3482.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Mn2 N10 O12 -","- C32 H32 Mn2 N10 O12 -","- C128 H128 Mn8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0556","0.0382","","","0.0819","0.0896","","","","","","1.023","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216810","8.9623","0.0013","10.1747","0.0011","12.1422","0.001","100.966","0.009","110.157","0.011","103.494","0.011","965.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0504","0.0372","","","0.0781","0.0857","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216811","9.2436","0.0005","11.0384","0.0005","22.7044","0.0009","91.226","0.004","91.585","0.004","113.366","0.005","2124.51","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N10 Ni2 O16 -","- C32 H34 N10 Ni2 O16 -","- C64 H68 N20 Ni4 O32 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0876","0.062","","","0.1687","0.1915","","","","","","1.037","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216812","11.5342","0.0008","20.5261","0.0012","19.3153","0.0013","90","","126.053","0.005","90","","3697.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cu2 N10 O13 -","- C32 H30 Cu2 N10 O13 -","- C128 H120 Cu8 N40 O52 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.1123","0.0589","","","0.1016","0.1244","","","","","","1.03","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216813","13.5928","0.0009","8.7066","0.0005","18.2172","0.001","90","","94.9","0.006","90","","2148.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cu2 N12 O14 -","- C36 H46 Cu2 N12 O14 -","- C72 H92 Cu4 N24 O28 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0958","0.0553","","","0.1","0.117","","","","","","1.024","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216814","9.7409","0.0014","10.3056","0.0016","11.2358","0.0018","116.914","0.016","96.328","0.013","109.365","0.014","902.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0875","0.0526","","","0.0769","0.0917","","","","","","1.048","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216815","18.574","0.001","11.8625","0.0006","16.8934","0.0008","90","","112.071","0.006","90","","3449.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N10 O11 Zn2 -","- C32 H28 N10 O11 Zn2 -","- C128 H112 N40 O44 Zn8 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0789","0.0472","","","0.0909","0.1058","","","","","","1.018","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216816","26.713","0.003","10.186","0.0006","26.764","0.003","90","","114.765","0.012","90","","6612.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H50 N9 O15 Zn4 -","- C71 H50 N9 O15 Zn4 -","- C284 H200 N36 O60 Zn16 -","4","1","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.1439","0.0693","","","0.1325","0.1653","","","","","","0.993","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216817","10.491","0.0005","14.442","0.0008","15.738","0.0009","97.903","0.004","107.597","0.005","95.036","0.004","2230.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0467","0.036","","","0.0809","0.0889","","","","","","1.038","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216818","10.412","0.0003","14.861","0.0006","15.616","0.0006","103.206","0.003","92.815","0.003","97.125","0.003","2326.73","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H74 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0385","0.028","","","0.0596","0.0642","","","","","","1.027","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216819","11.014","0.005","13.17","0.005","14.773","0.0008","88.002","0.004","83.199","0.004","86.478","0.003","2123","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.042","0.0324","","","0.0743","0.0801","","","","","","1.033","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216820","10.9347","0.0006","12.6382","0.0007","12.7232","0.0007","61.42","0.001","66.901","0.001","68.104","0.001","1382.4","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 F N4 O6 -","- C30 H32 F N4 O6 -","- C60 H64 F2 N8 O12 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","209037","2020-10-21","18:00:00",""
"7216821","10.9374","0.0007","12.6162","0.0008","12.7201","0.0008","61.396","0.001","66.853","0.001","68.137","0.001","1379.57","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 F N5 O5 -","- C30 H33 F N5 O5 -","- C60 H66 F2 N10 O10 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","0.71073","MoKα","","0.0673","0.0549","","","0.1494","0.1577","","","","","","1.068","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216822","18.006","0.001","15.3229","0.0009","20.969","0.001","90","","90","","90","","5785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H26 I N9 O3.5 Zn -","- C25.5 H12 I N9 O3.5 Zn -","- C204 H96 I8 N72 O28 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1367","0.0931","","","0.2607","0.2969","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216823","26.47","0.02","15.79","0.01","13.591","0.009","90","","105.64","0.02","90","","5470","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl0.5 I0.5 N9 O8 Zn -","- C22 H14 Cl0.5 I0.5 N9 O8 Zn -","- C176 H112 Cl4 I4 N72 O64 Zn8 -","8","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.0913","0.0598","","","0.1471","0.1635","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216824","15.4187","0.0002","12.4644","0.0002","21.6037","0.0003","90","","90.208","0.001","90","","4151.88","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 I N9 O5 Zn -","- C42 H27 I N9 O5 Zn -","- C168 H108 I4 N36 O20 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68898","synchrotron","","0.1326","0.1162","","","0.3266","0.3389","","","","","","0.933","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216825","21.5","0.011","21.5","0.011","22.454","0.012","90","","90","","90","","10379","9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H52 I N9 O7.5 Zn -","- C54.5 H37 I N9 O7.5 Zn -","- C436 H296 I8 N72 O60 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1357","0.089","","","0.2329","0.2519","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216826","44.006","0.001","44.006","0.001","28.267","0.001","90","","90","","120","","47406","2","85","2","85","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C40 H46 I N11 O10 Zn -","- C40 H22 I N11 O10 Zn -","- C1440 H792 I36 N396 O360 Zn36 -","36","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.689","synchrotron","","0.161","0.124","","","0.3556","0.3849","","","","","","1.365","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216827","15.1138","0.0001","18.5709","0.0001","15.6792","0.0001","90","","117.212","0.002","90","","3913.71","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 I N12 O Zn -","- C41 H34.5 I N12 O Zn -","- C164 H138 I4 N48 O4 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68899","synchrotron","","0.0752","0.0657","","","0.1794","0.1873","","","","","","1.054","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216828","23.1344","0.0002","14.7104","0.0001","26.8906","0.0003","90","","110.411","0.0003","90","","8576.72","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H83 I6 N23 O11 Zn4 -","- C65 H72 I6 N23 O11 Zn4 -","- C260 H288 I24 N92 O44 Zn16 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.75002","synchrotron","","0.0831","0.0663","","","0.176","0.1878","","","","","","1.051","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216829","7.0884","0.0003","7.715","0.0002","11.634","0.0005","80.755","0.003","78.037","0.004","83.455","0.003","612.18","0.04","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","bis-1,2,3-Triamino-2,4,6-triazinium ethylenetriaminetetraacetate diaqua","","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","1","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0655","0.0339","","","0.0832","0.0892","","","","","","0.897","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216830","7.4296","0.0006","12.3333","0.0011","11.9384","0.0011","90","","114.07","0.006","90","","998.81","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Melamine DMSO solvate","","- C5 H12 N6 O S -","- C5 H12 N6 O S -","- C20 H48 N24 O4 S4 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0662","0.0386","","","0.0774","0.0868","","","","","","1.063","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216831","18.041","0.002","10.6373","0.0014","14.289","0.002","90","","103.652","0.014","90","","2664.7","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimelaminium sulfate","","- C6 H14 N12 O4 S -","- C6 H14 N12 O4 S -","- C48 H112 N96 O32 S8 -","8","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.2244","0.0493","","","0.0745","0.0972","","","","","","0.771","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216832","7.771","0.0014","9.8924","0.0018","12.186","0.002","90","","101.198","0.009","90","","919","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melaminium dinitrate","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54178","CuKα","","0.3022","0.0335","","","0.0905","0.1046","","","","","","1.049","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216833","14.3308","0.0008","16.2228","0.001","13.1104","0.001","90","","109.388","0.007","90","","2875.1","0.3","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tri-theobromine melamine","","- C24 H30 N18 O6 -","- C24 H30 N18 O6 -","- C96 H120 N72 O24 -","4","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54184","CuKα","","0.0839","0.0685","","","0.205","0.2244","","","","","","1.033","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216834","38.315","0.003","12.5251","0.001","29.193","0.002","90","","109.401","0.002","90","","13214.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ST318","","","- C60 H84.6 Cl2 Mn2 O12.3 S3.3 -","- C60 H81.6 Cl2 Mn2 O12.3 S3.3 -","- C480 H652.8 Cl16 Mn16 O98.4 S26.4 -","8","1","","Taylor, Stephanie M.; Frost, Jamie M.; McLellan, Ross; McIntosh, Ruaraidh D.; Brechin, Euan K.; Dalgarno, Scott J.","Assembly of a calix[4]arene-supported MnIIIMnIIcluster mediated by halogen interactions","CrystEngComm","2014","16","35","8098","","10.1039/C4CE00729H","","","0.71073","MoKα","","0.1447","0.093","","","0.2335","0.2546","","","","","","1.575","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216835","11.9272","0.0015","13.954","0.003","20.185","0.002","90","","90","","90","","3359.4","0.9","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C14.7 H17.3 Cu0.5 N3.4 O3.9 -","- C10.5 H6.5 Cu0.5 N2 O2.5 -","- C84 H52 Cu4 N16 O20 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.2069","0.1268","","","0.3509","0.3829","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216836","23.269","0.005","10.602","0.002","24.34","0.005","90","","111.28","0.03","90","","5595","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N5 O5 Zn -","- C21 H13 N4 O4 Zn -","- C168 H104 N32 O32 Zn8 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","synchrotron","","0.0767","0.0706","","","0.1961","0.2007","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216837","23.324","0.003","10.2514","0.0006","25.426","0.002","90","","116.19","0.015","90","","5455.3","1.1","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.25 H25.25 Cd N5.75 O5.75 -","- C21 H13 Cd N4 O4 -","- C168 H104 Cd8 N32 O32 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0933","0.0619","","","0.1366","0.1476","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216838","10.0477","0.0003","15.2023","0.001","22.6589","0.0007","90","","90","","90","","3461.1","0.3","109","2","109","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13.5 H16.5 Co0.5 N3 O4.5 -","- C10.5 H9.5 Co0.5 N2 O3.5 -","- C84 H76 Co4 N16 O28 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0755","0.0574","","","0.1698","0.1791","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216839","8.245","0.001","29.405","0.004","10.8415","0.0015","90","","108.285","0.006","90","","2495.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu2 I2 N6 O2 -","- C22 H17 Cu2 I2 N6 O2 -","- C88 H68 Cu8 I8 N24 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0449","0.0434","","","0.1446","0.1473","","","","","","1.206","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216840","8.4693","0.0006","14.305","0.001","15.7364","0.0014","90","","90","","90","","1906.5","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cu N6 O2 -","- C22 H16 Cu N6 O2 -","- C88 H64 Cu4 N24 O8 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0396","0.0313","","","0.0745","0.0787","","","","","","1.102","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216841","11.639","0.0009","15.3802","0.0012","14.9492","0.0011","90","","99.34","0.0004","90","","2640.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu2 I2 N7 O2 -","- C24 H20 Cu2 I2 N7 O2 -","- C96 H80 Cu8 I8 N28 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0161","","","0.0383","0.0384","","","","","","1.15","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216842","8.6202","0.0006","9.025","0.0006","9.257","0.0007","69.48","0.004","69.496","0.004","84.874","0.004","631.29","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu I N3 O -","- C11 H9 Cu I N3 O -","- C22 H18 Cu2 I2 N6 O2 -","2","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0154","","","0.0472","0.063","","","","","","1.397","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216843","12.6943","0.0003","32.7813","0.0007","24.8035","0.0005","90","","97.313","0.002","90","","10237.7","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H66 Cu8 I8 N15 O7 -","- C63 H66 Cu8 I8 N15 O7 -","- C252 H264 Cu32 I32 N60 O28 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0434","0.0364","","","0.0963","0.1006","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216844","10.817","0.013","15.965","0.019","26.71","0.03","90","","112.31","0.04","90","","4267","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cd2 N4 O10 -","- C48 H32 Cd2 N4 O10 -","- C192 H128 Cd8 N16 O40 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0565","0.0319","","","0.0497","0.0553","","","","","","1.17","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216845","8.804","0.009","14.094","0.015","20.83","0.02","70.715","0.013","86.903","0.013","88.517","0.013","2436","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Co2 N8 O13 -","- C52 H34 Co2 N8 O13 -","- C104 H68 Co4 N16 O26 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0878","0.0575","","","0.1452","0.1674","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216846","13.226","0.008","19.61","0.013","23.292","0.015","90","","101.312","0.007","90","","5924","7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49 Mn3 N5 O20 -","- C57 H45 Mn3 N5 O20 -","- C228 H180 Mn12 N20 O80 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0431","0.0399","","","0.1038","0.1067","","","","","","1.026","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216847","13.6","0.012","16.319","0.014","16.769","0.014","79.265","0.012","80.064","0.012","72.401","0.012","3458","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Mn2 N8 O10 -","- C64 H44 Mn2 N8 O10 -","- C128 H88 Mn4 N16 O20 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1164","0.0561","","","0.0931","0.1031","","","","","","0.991","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216848","8.5322","0.0017","22.025","0.008","15.088","0.003","90","","90","","90","","2835.4","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H46 Co2 N8 O11 -","- C64 H44 Co2 N8 O11 -","- C128 H88 Co4 N16 O22 -","2","0.25","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1238","0.1162","","","0.2665","0.2721","","","","","","1.237","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216849","12.268","0.003","14.467","0.003","17.269","0.004","89.58","0.03","75.03","0.03","77.58","0.03","2887.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1203","0.0857","","","0.1844","0.2051","","","","","","1.128","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216850","11.624","0.002","13.395","0.003","21.378","0.004","108.23","0.03","96.32","0.03","103.03","0.03","3020.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H108 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.116","0.0848","","","0.2499","0.2634","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216851","8.2996","0.0005","31.6381","0.0018","27.3595","0.0016","90","","95.45","0.001","90","","7151.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H12 Ag14 F30 N6 O20 -","- C48 H12 Ag14 F30 N6 O20 -","- C192 H48 Ag56 F120 N24 O80 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0907","0.0804","","","0.1952","0.2043","","","","","","1.099","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216852","19.8943","0.0009","26.2204","0.0012","17.9454","0.0013","90","","119.636","0.001","90","","8136.4","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H16 Ag15 F30 N9 O23 -","- C56 H16 Ag15 F30 N9 O23 -","- C224 H64 Ag60 F120 N36 O92 -","4","0.5","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0623","0.054","","","0.1477","0.1573","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216853","6.9041","0.0005","18.7425","0.0016","22.4191","0.0019","90","","97.687","0.001","90","","2875","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Ag6 F6 O13 -","- C22 H12 Ag6 F6 O13 -","- C88 H48 Ag24 F24 O52 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0589","0.0483","","","0.1261","0.136","","","","","","1.022","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216854","18.999","0.003","17.422","0.002","8.2616","0.0011","90","","96.619","0.002","90","","2716.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H9 Ag6 F6 N O10 -","- C22 H9 Ag6 F6 N O10 -","- C88 H36 Ag24 F24 N4 O40 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1126","0.0981","","","0.2317","0.2472","","","","","","1.077","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216855","8.2222","0.0007","16.2247","0.0014","16.4614","0.0014","93.275","0.002","95.797","0.001","97.895","0.001","2158.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Ag8 F12 N2 O16 -","- C26 H8 Ag8 F12 N2 O16 -","- C52 H16 Ag16 F24 N4 O32 -","2","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1017","0.0901","","","0.2299","0.2435","","","","","","1.052","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216856","27.31","0.003","8.4645","0.0008","32.75","0.003","90","","109.776","0.002","90","","7124.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H20 Ag16 F18 N4 O24 -","- C56 H20 Ag16 F18 N4 O24 -","- C224 H80 Ag64 F72 N16 O96 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1059","0.0854","","","0.2163","0.2364","","","","","","1.114","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216857","23.0358","0.0018","11.6305","0.0009","14.5521","0.0012","90","","114.492","0.001","90","","3548","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O6 Zn -","- C18 H14 N2 O6 Zn -","- C144 H112 N16 O48 Zn8 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0458","0.0394","","","0.1135","0.1183","","","","","","1.034","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216858","15.0968","0.0014","23.363","0.002","16.7676","0.0016","90","","90","","90","","5914","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 Cd N4 O4 -","- C34 H22 Cd N4 O4 -","- C272 H176 Cd8 N32 O32 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0613","0.0456","","","0.1353","0.1505","","","","","","1.053","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216859","18.601","0.003","13.5351","0.0019","14.0326","0.0019","90","","94.773","0.002","90","","3520.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Co N2 O5 -","- C21 H15 Co N2 O5 -","- C168 H120 Co8 N16 O40 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.1368","0.0512","","","0.1016","0.1307","","","","","","0.94","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216862","14.8357","0.0007","14.8357","0.0007","6.7854","0.0006","90","","90","","90","","1493.45","0.17","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","1","0.125","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.056","0.0525","","","0.1281","0.1287","","","","","","1.042","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216863","10.95","0.02","17.7","0.03","7.843","0.015","90","","102.33","0.04","90","","1485","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ca F4 O6 -","- C10 H8 Ca F4 O6 -","- C40 H32 Ca4 F16 O24 -","4","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0796","0.0639","","","0.1978","0.2168","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216864","3.7395","0.0012","22.568","0.007","6.767","0.002","90","","93.286","0.006","90","","570.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ca F4 O8 -","- C8 H8 Ca F4 O8 -","- C16 H16 Ca2 F8 O16 -","2","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0302","0.0298","","","0.0791","0.0794","","","","","","1.067","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7217008","5.288","0.0001","31.171","0.002","11.312","0.001","90","","90.158","0.002","90","","1864.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11.5 Br0.5 N O2 -","- C9 H11.5 Br0.5 N O2 -","- C72 H92 Br4 N8 O16 -","8","4","","Surekha, R.; Gunaseelan, R.; Sagayaraj, P.; Ambujam, K.","l-Phenylalaninel-phenylalaninium bromide ‒ a new nonlinear optical material","CrystEngComm","2014","16","34","7979","","10.1039/C4CE00718B","","","0.71073","MoKα","","0.0799","0.0578","","","0.1379","0.1475","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217013","12.9551","0.0002","11.293","0.00015","14.6992","0.0003","90","","115.648","0.002","90","","1938.63","0.06","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Soriano-Moro, Guillermo; Castro, M. Eugenia; Chapela, Víctor M.; Bonilla, José; Reyes-Reyes, Marisol; López-Sandoval, Román","The effect of the supramolecular network of (Z)-3-(4-(diphenylamino)phenyl)-2-(pyridin-2-yl)-acrylonitrile on the fluorescence behavior of a single crystal: experimental and theoretical studies","CrystEngComm","2014","16","36","8591","","10.1039/C4CE00327F","","","0.71073","MoKα","","0.0427","0.038","","","0.0972","0.1","","","","","","1.066","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217023","9.6133","0.0002","45.6542","0.0012","10.5801","0.0003","90","","113.202","0.001","90","","4267.92","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H39 N4 Ni O8.5 P2 S4 -","- C38 H39 N4 Ni O8.5 P2 S4 -","- C152 H156 N16 Ni4 O34 P8 S16 -","4","2","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.0894","0.0587","","","0.1199","0.1325","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217024","15.332","0.002","8.6055","0.001","34.795","0.004","90","","90","","90","","4590.8","1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 Ni O8 P2 S4 -","- C42 H46 N4 Ni O8 P2 S4 -","- C168 H184 N16 Ni4 O32 P8 S16 -","4","1","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.2125","0.1495","","","0.2815","0.3147","","","","","","1.162","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217025","8.157","0.003","9.405","0.004","12.802","0.008","105.22","0.008","98.276","0.008","107.826","0.006","874.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1","","","- C20 H15 Co N4 O5 -","- C20 H15 Co N4 O5 -","- C40 H30 Co2 N8 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.0429","0.0321","","","0.0718","0.0765","","","","","","1.082","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217026","8.1587","0.0009","9.3411","0.0012","12.7338","0.0012","105.254","0.002","98.139","0.002","107.777","0.002","865.17","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2","","","- C20 H15 N4 Ni O5 -","- C20 H15 N4 Ni O5 -","- C40 H30 N8 Ni2 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1183","0.0592","","","0.1375","0.1717","","","","","","0.851","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217027","11.0648","0.0016","12.6093","0.0017","15.0869","0.0017","90","","119.371","0.008","90","","1834.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C20 H17 Co N4 O6 -","- C20 H17 Co N4 O6 -","- C80 H68 Co4 N16 O24 -","4","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.077","0.0402","","","0.0722","0.0854","","","","","","1.011","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217028","24.343","0.009","12.291","0.004","18.868","0.008","90","","121.369","0.01","90","","4820","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4","","","- C40 H48 N12 Ni2 O15 -","- C40 H48 N12 Ni2 O15 -","- C160 H192 N48 Ni8 O60 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1017","0.0583","","","0.1464","0.1743","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217029","24.579","0.005","11.8337","0.0018","18.816","0.003","90","","121.09","0.005","90","","4686.7","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","","","- C26 H20 N6 Ni O5 -","- C26 H20 N6 Ni O5 -","- C208 H160 N48 Ni8 O40 -","8","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1322","0.0751","","","0.2206","0.2673","","","","","","0.997","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217032","7.7413","0.0007","17.8726","0.0016","11.0065","0.001","90","","97.879","0.001","90","","1508.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfacetamide4-aminopyridineSalt","N-4-aminophenylsulfonylacetamidePyridine-4-amine","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0552","0.0496","","","0.1195","0.1226","","","","","","1.191","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217033","11.6469","0.0009","10.467","0.0006","12.4421","0.0009","90","","116.51","0.01","90","","1357.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfacetamide4,4'bipyridinecocrystal","N-4-aminophenylsulfonylacetamide4,4'bipyridine","","- C13 H14 N3 O3 S -","- C13 H14 N3 O3 S -","- C52 H56 N12 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0501","0.0404","","","0.1059","0.1131","","","","","","1.035","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217034","7.1821","0.0006","30.43","0.003","8.8188","0.0007","90","","107.679","0.001","90","","1836.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SulfacetamideCaffeinecocrystal","N-4-aminophenylsulfonylacetamide3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione","","- C16 H20 N6 O5 S -","- C16 H20 N6 O5 S -","- C64 H80 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0464","0.0436","","","0.1138","0.1158","","","","","","1.074","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217035","10.7667","0.0004","9.7508","0.0004","21.1014","0.0007","90","","96.176","0.003","90","","2202.45","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SulfacetamideIsonicotinamidecocrystal","N-4-aminophenylsulfonylacetamidePyridine-4-carboxamide","","- C20 H22 N6 O5 S -","- C20 H22 N6 O5 S -","- C80 H88 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0545","0.0407","","","0.0963","0.1057","","","","","","1.065","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217036","8.664","0.0007","14.9675","0.0013","15.3632","0.0015","110.234","0.002","106.365","0.001","97.283","0.001","1737.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SulfacetamideTheophyllinecocrystal","N-4-aminophenylsulfonylacetamide1,3-dimethyl-7H-purine-2,6-dione","","- C15 H18 N6 O5 S -","- C15 H18 N6 O5 S -","- C60 H72 N24 O20 S4 -","4","2","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.059","0.0505","","","0.1232","0.1297","","","","","","0.953","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217037","15.9288","0.0003","6.9261","0.0002","7.8324","0.0002","90","","90","","90","","864.11","0.04","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,1,3-trichloro-1H-isoindole","","","- C8 H4 Cl3 N -","- C8 H4 Cl3 N -","- C32 H16 Cl12 N4 -","4","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.023","0.022","","","0.0615","0.0623","","","","","","1.172","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217038","7.8916","0.0007","7.1079","0.0007","9.4988","0.0011","90","","97.514","0.007","90","","528.24","0.09","299","2","299","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,1,3,4,5,6,7-heptachloro-1H-isoindole","","","- C8 H2 Cl5 N -","- C8 H2 Cl5 N -","- C16 H4 Cl10 N2 -","2","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.0376","0.0322","","","0.0946","0.0984","","","","","","1.143","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217039","7.408","0.001","14.011","0.002","21.402","0.004","90","","90","","90","","2221.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[Cu2(Hsersal)2(H2O)].H2O}n","","","- C20 H26 Cu2 N2 O10 -","- C20 H26 Cu2 N2 O10 -","- C80 H104 Cu8 N8 O40 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0561","0.0415","","","0.0882","0.0954","","","","","","0.966","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217040","7.4137","0.0004","13.3645","0.0007","13.4407","0.0007","90","","103.816","0.002","90","","1293.18","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(Hser-5Cl-sal)2(H2O)].CH3OH","","","- C21 H26 Cl2 Cu2 N2 O10 -","- C21 H26 Cl2 Cu2 N2 O10 -","- C42 H52 Cl4 Cu4 N4 O20 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0213","0.0202","","","0.0408","0.041","","","","","","1.148","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217041","25.187","0.005","6.6672","0.0013","10.488","0.002","90","","100.653","0.011","90","","1730.9","0.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4?-bpy)(Hsersal)2].2H2O","","","- C30 H34 Cu2 N4 O10 -","- C30 H30 Cu2 N4 O10 -","- C60 H60 Cu4 N8 O20 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0558","0.0524","","","0.1632","0.1657","","","","","","1.091","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217042","24.8013","0.0018","6.8049","0.0006","10.5081","0.0007","90","","100.988","0.004","90","","1740.9","0.2","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-OMe-sal)2].CH3OH","","","- C33 H38 Cu2 N4 O11 -","- C33 H37 Cu2 N4 O11 -","- C66 H74 Cu4 N8 O22 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0534","0.049","","","0.1434","0.1518","","","","","","1.098","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217043","23.4854","0.0018","6.8789","0.0005","13.6839","0.0011","90","","101.685","0.004","90","","2164.9","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-NO2-sal)2].3DMSO","","","- C36 H46 Cu2 N6 O15 S3 -","- C36 H40 Cu2 N6 O15 S3 -","- C72 H80 Cu4 N12 O30 S6 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0654","0.0494","","","0.1315","0.1451","","","","","","0.935","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217044","6.8225","0.0006","8.6115","0.0009","10.7203","0.0012","67.906","0.01","86.057","0.008","78.308","0.008","571.46","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C22 H18 F2 N4 O10 -","2","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.063","0.0456","","","0.1106","0.1266","","","","","","1.054","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217045","7.0356","0.0003","14.9022","0.0013","10.2665","0.0004","90","","99.418","0.004","90","","1061.89","0.11","150.02","0.11","150.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C44 H36 F4 N8 O20 -","4","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.1014","0.0617","","","0.149","0.1844","","","","","","1.055","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217046","18.65","0.03","7.982","0.011","27.53","0.04","90","","109.469","0.016","90","","3864","10","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cd2 N4 O18 -","- C41 H32 Cd2 N4 O18 -","- C164 H128 Cd8 N16 O72 -","4","0.5","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1269","0.0806","","","0.1987","0.2398","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217047","10.3863","0.0012","12.9737","0.0015","10.8834","0.0013","90","","113.582","0.001","90","","1344.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N4 O10 -","- C26 H24 Cd2 N4 O10 -","- C52 H48 Cd4 N8 O20 -","2","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0191","0.0182","","","0.0388","0.0391","","","","","","1.032","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217048","11.128","0.005","14.055","0.006","22.979","0.01","90","","103.992","0.005","90","","3487","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd2 N4 O13 -","- C30 H30 Cd2 N4 O13 -","- C120 H120 Cd8 N16 O52 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0454","0.0305","","","0.064","0.0698","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217049","17.246","0.006","17.018","0.006","10.945","0.004","90","","91.414","0.004","90","","3211","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C144 H112 Cd4 N16 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0624","0.037","","","0.0665","0.0753","","","","","","1.021","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217050","13.3294","0.0017","16.202","0.002","20.283","0.003","90","","99.496","0.002","90","","4320.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cd2 N6 O9 -","- C31 H20 Cd2 N6 O9 -","- C124 H80 Cd8 N24 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1021","0.059","","","0.1463","0.1622","","","","","","0.987","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217051","32.366","0.005","32.366","0.005","32.366","0.005","90","","90","","90","","33905","9","173","2","173","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H176 N8 O148 Zn28 -","- C312 H120 O124 Zn28 -","- C312 H120 O124 Zn28 -","1","0.0208333","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","0.71073","MoKα","","0.3461","0.2841","","","0.5272","0.556","","","","","","1.693","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217052","31.102","0.004","31.102","0.004","31.102","0.004","90","","90","","90","","30086","7","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C288 H200 N32 O172 Zn28 -","- C288 H144 N24 O148 Zn28 -","- C288 H144 N24 O148 Zn28 -","1","0.0416667","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","1","synchrotron","","0.1366","0.1101","","","0.266","0.2876","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217053","7.8156","0.0008","10.3153","0.0017","20.747","0.002","101.272","0.011","100.209","0.008","97.106","0.012","1592.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cu N2 O6 -","- C34 H38 Cu N2 O6 -","- C68 H76 Cu2 N4 O12 -","2","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0854","0.0467","","","0.1188","0.1336","","","","","","1.029","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217054","31.05","0.14","9.83","0.04","20.58","0.09","90","","101.19","0.08","90","","6162","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Mn2 N4 O10 -","- C70 H76 Mn2 N4 O10 -","- C280 H304 Mn8 N16 O40 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0687","0.0577","","","0.1522","0.1628","","","","","","1.057","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217055","31.01","0.07","9.72","0.02","20.78","0.05","90","","101.99","0.03","90","","6127","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 N4 O12 Zn2 -","- C68 H76 N4 O12 Zn2 -","- C272 H304 N16 O48 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0519","0.0479","","","0.1346","0.1456","","","","","","1.191","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217056","20.2631","0.0003","20.2631","0.0003","13.8155","0.0005","90","","90","","90","","5672.6","0.2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Mn N2 O5 -","- C32 H32 Mn N2 O5 -","- C256 H256 Mn8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0319","0.0273","","","0.0614","0.0631","","","","","","1.019","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217057","20.572","0.0008","20.572","0.0014","13.725","0.002","90","","90","","90","","5808.5","1","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Cu N2 O5 -","- C32 H32 Cu N2 O5 -","- C256 H256 Cu8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1035","0.0432","","","0.091","0.1063","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217058","12.0429","0.0009","11.3433","0.0005","14.8837","0.0007","90","","98.784","0.005","90","","2009.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H54 N2 O4 Zn -","- C42 H54 N2 O4 Zn -","- C84 H108 N4 O8 Zn2 -","2","0.25","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0504","0.0383","","","0.1023","0.1075","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217059","13.211","0.008","11.69","0.007","14.445","0.009","90","","99.835","0.011","90","","2198","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Mn N2 O5 -","- C23 H26 Mn N2 O5 -","- C92 H104 Mn4 N8 O20 -","4","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0954","0.0814","","","0.1557","0.1625","","","","","","1.194","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217060","28.204","0.0018","11.495","0.0015","15.042","0.0009","90","","114.001","0.005","90","","4455","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 O9 S Zn2 -","- C46 H50 N4 O9 S Zn2 -","- C184 H200 N16 O36 S4 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0561","0.0321","","","0.0793","0.0882","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217061","22.74","0.12","28.36","0.13","10.39","0.05","90","","101.66","0.08","90","","6562","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 O8 P2 Zn -","- C34 H28 N2 O8 P2 Zn -","- C272 H224 N16 O64 P16 Zn8 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1634","0.1326","","","0.3206","0.3494","","","","","","1.31","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217062","9.6304","0.0007","9.6386","0.0007","10.013","0.0007","85.443","0.001","72.785","0.001","72.761","0.001","847.89","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","1","0.5","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.028","0.0253","","","0.0607","0.0624","","","","","","1.038","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217063","10.551","0.002","10.62","0.002","15.094","0.004","74.956","0.018","69.597","0.011","72.234","0.011","1487.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Eu N5 O8 S2 -","- C31 H21 Eu N5 O8 S2 -","- C62 H42 Eu2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0879","0.0568","","","0.128","0.1412","","","","","","1.083","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217064","10.544","0.0014","10.5785","0.0015","15.068","0.002","92.469","0.003","110.42","0.002","107.942","0.003","1476.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Gd N5 O8 S2 -","- C31 H21 Gd N5 O8 S2 -","- C62 H42 Gd2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0827","0.0568","","","0.1091","0.1215","","","","","","1.012","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217065","10.5381","0.0014","10.5712","0.0013","15.041","0.002","75.114","0.004","69.497","0.002","72.006","0.002","1471.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Tb -","- C31 H21 N5 O8 S2 Tb -","- C62 H42 N10 O16 S4 Tb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0875","0.0583","","","0.1155","0.1308","","","","","","0.999","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217066","10.542","0.003","10.561","0.003","14.961","0.004","75.527","0.006","69.711","0.006","71.721","0.006","1464.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Er N5 O8 S2 -","- C31 H21 Er N5 O8 S2 -","- C62 H42 Er2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.1437","0.0818","","","0.1494","0.1837","","","","","","0.956","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217067","10.5522","0.0009","10.5726","0.001","14.9134","0.0013","75.774","0.002","69.835","0.001","71.559","0.001","1464.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Yb -","- C31 H21 N5 O8 S2 Yb -","- C62 H42 N10 O16 S4 Yb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0811","0.0849","","","","","","0.98","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217068","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217069","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217070","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217071","25.8844","0.0002","14.2964","0.0002","14.2795","0.0002","90","","122.98","0.01","90","","4432.7","0.5","298","2","298","","","","100","","","","","4","C 1 2 1","C 2y","5","Rifampicin","(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11- methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino] methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1 (28),2,4,9,19,21,25(29),26-octaen-13-yl acetate","","- C43 H58 N4 O12 -","- C43 H58 N4 O12 -","- C172 H232 N16 O48 -","4","1","","Ibiapino, Amanda Laura; Seiceira, Rafael Cardoso; Pitaluga, Altivo; Trindade, Antonio Carlos; Ferreira, Fabio Furlan","Structural characterization of form I of anhydrous rifampicin","CrystEngComm","2014","16","36","8555","","10.1039/C4CE01157K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.767","","","","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217074","21.9035","0.0006","14.5496","0.0004","27.9653","0.0006","90","","90","","90","","8912.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Cd3 N3 O21 -","- C42 H41 Cd3 N3 O21 -","- C336 H328 Cd24 N24 O168 -","8","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0709","0.0492","","","0.1372","0.1608","","","","","","0.999","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217075","12.0047","0.0007","10.9563","0.0007","21.0767","0.0015","90","","106.389","0.007","90","","2659.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Ca Cd N2 O11 -","- C24 H24 Ca Cd N2 O11 -","- C96 H96 Ca4 Cd4 N8 O44 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0465","0.0362","","","0.0804","0.0868","","","","","","1.099","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217076","9.9912","0.0003","21.7677","0.0009","10.2461","0.0004","90","","91.975","0.003","90","","2227.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Ca Cd N O12 -","- C20 H19 Ca Cd N O12 -","- C80 H76 Ca4 Cd4 N4 O48 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0407","0.0322","","","0.068","0.0728","","","","","","1.05","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217077","10.2726","0.0004","13.3346","0.0005","15.2745","0.0006","100.554","0.004","107.524","0.004","99.341","0.003","1907.96","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Ba2 N O22 Zn0 -","- C36 H28 Ba2 N O22 -","- C72 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0418","0.0328","","","0.0769","0.0824","","","","","","1.03","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217078","10.2724","0.0006","13.3126","0.0007","15.2949","0.001","100.307","0.005","107.572","0.006","100.414","0.005","1899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Ba2 N O22 -","- C35 H28 Ba2 N O22 -","- C70 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0672","0.0447","","","0.0941","0.1102","","","","","","1.006","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217081","9.8077","0.0009","5.595","0.0005","16.0481","0.0015","90","","91.848","0.002","90","","880.17","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O8 P2 U -","- C14 H12 O8 P2 U -","- C28 H24 O16 P4 U2 -","2","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0774","0.0378","","","0.0777","0.0944","","","","","","0.962","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217082","9.382","0.002","11.204","0.003","12.243","0.003","67.981","0.006","85.397","0.006","71.885","0.006","1133","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","1","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0626","0.0469","","","0.0802","0.0872","","","","","","0.983","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217083","10.5513","0.0007","17.4551","0.0011","11.0376","0.0007","90","","118.459","0.001","90","","1787.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 N2 O7 P U -","- C14 H11 N2 O7 P U -","- C56 H44 N8 O28 P4 U4 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0514","0.0354","","","0.0966","0.1065","","","","","","1.056","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217084","21.949","0.006","17.918","0.004","24.002","0.006","90","","113.989","0.004","90","","8624","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 N4 O34 P6 U4 -","- C76 H74 N4 O34 P6 U4 -","- C304 H296 N16 O136 P24 U16 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.1119","0.0515","","","0.114","0.1398","","","","","","0.954","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217085","8.946","0.006","11.706","0.007","13.404","0.008","87.195","0.01","76.239","0.012","85.236","0.012","1358.1","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N2 O7 P U -","- C27 H22 N2 O7 P U -","- C54 H44 N4 O14 P2 U2 -","2","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0703","0.0515","","","0.1123","0.1217","","","","","","1.016","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217090","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217091","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217092","37.962","0.009","21.391","0.004","24.996","0.004","90","","119.84","0.004","90","","17607","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu N12 O41 P W12 -","- C36 H34 Cu N12 O41 P W12 -","- C288 H272 Cu8 N96 O328 P8 W96 -","8","1","","Luo, Yu-Hui; Lu, Xin-Xin; Zhang, Hong","An ultrastable, flexible POM-based coordination polymer with redox properties","CrystEngComm","2014","16","34","7865","","10.1039/C4CE01123F","","","0.71073","MoKα","","0.1202","0.0763","","","0.2168","0.2394","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217115","14.333","0.006","21.282","0.008","17.076","0.007","90","","91.043","0.007","90","","5208","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br8 N8 O10 Zn2 -","- C40 H40 Br8 N8 O10 Zn2 -","- C160 H160 Br32 N32 O40 Zn8 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.1736","0.1","","","0.2657","0.3123","","","","","","1.04","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217116","8.491","0.011","9.107","0.013","9.21","0.012","71.18","0.02","84.23","0.02","65.21","0.018","611.5","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","1","0.5","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0343","0.0297","","","0.075","0.077","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217117","9.6238","0.0008","17.24","0.0014","12.7886","0.001","90","","91.914","0.002","90","","2120.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br4 N6 O4 Zn -","- C15 H10 Br4 N6 O4 Zn -","- C60 H40 Br16 N24 O16 Zn4 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0618","0.0341","","","0.0683","0.0773","","","","","","0.955","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217118","10.271","0.005","18.615","0.003","10.814","0.005","90","","105.695","0.005","90","","1990.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Co N2 O6 -","- C22 H16 Co N2 O6 -","- C88 H64 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0886","0.0603","","","0.1542","0.1825","","","","","","1.072","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217119","8.515","0.005","12.058","0.005","17.046","0.005","90","","101.675","0.005","90","","1714","1.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 Co N2 O6 -","- C20 H12 Co N2 O6 -","- C80 H48 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0641","0.0465","","","0.1229","0.1608","","","","","","1.163","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217120","7.286","0.008","12.218","0.014","24.76","0.03","90","","90.484","0.014","90","","2204","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N8 Ni2 O15 S2 -","- C44 H42 N8 Ni2 O15 S2 -","- C88 H84 N16 Ni4 O30 S4 -","2","0.5","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.0831","0.0468","","","0.1052","0.1279","","","","","","1.035","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217121","14.616","0.0014","12.1893","0.0011","25.892","0.003","90","","106.274","0.002","90","","4428.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N8 O15 S2 -","- C44 H42 Co2 N8 O15 S2 -","- C176 H168 Co8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.098","0.0553","","","0.1146","0.1347","","","","","","1.054","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217122","14.8543","0.0014","12.3149","0.0011","26.163","0.003","90","","106.126","0.002","90","","4597.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cd2 N8 O15 S2 -","- C44 H42 Cd2 N8 O15 S2 -","- C176 H168 Cd8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.1198","0.0595","","","0.1384","0.1871","","","","","","1.098","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217123","10.944","0.003","13.623","0.004","13.884","0.004","64.73","0.004","73.057","0.005","69.711","0.004","1730.5","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71073","MoKα","","0.0512","0.0661","","","0.0987","0.1032","","","","","","1.176","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217124","10.9694","0.0011","13.6637","0.0014","13.9341","0.0014","64.8306","0.0013","73.1694","0.0015","69.7887","0.0015","1748.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71","MoKα","","0.0513","0.0659","","","0.0942","0.1076","","","","","","1.167","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217126","8.9158","0.0003","11.144","0.0004","14.0968","0.0006","83.256","0.002","72.321","0.002","84.057","0.002","1321.83","0.09","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","1","1","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.05","0.0394","","","0.0972","0.1018","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217127","34.108","0.002","9.5282","0.0006","19.5702","0.0013","90","","116.626","0.002","90","","5685.6","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 I4 Mn N5 O2 -","- C50 H28 I4 Mn N5 O2 -","- C200 H112 I16 Mn4 N20 O8 -","4","0.5","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.0373","0.0328","","","0.1006","0.1039","","","","","","0.92","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217128","8.3814","0.0002","10.2345","0.0002","13.8672","0.0009","90","","105.897","0.008","90","","1144.03","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-acety1-1-dimethylaminonaphthalene, 7","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0419","0.0378","","","0.0974","0.0998","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217129","9.37","0.02","9.34","0.02","15.72","0.04","90","","90","","90","","1376","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-dimethylamino-8-isopropylnaphthalene 8","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.6889","","","0.0492","0.0476","","","0.1335","0.1347","","","","","","1.214","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217130","10.4848","0.0006","12.0004","0.0007","12.0396","0.0008","73.685","0.005","85.342","0.006","83.541","0.006","1442.66","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","1-dimethylamino-8-(2,2-dimethylpropanoyl)naphthalene 9","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0484","0.0393","","","0.1026","0.1059","","","","","","1.106","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217131","9.0485","0.0004","11.967","0.0005","14.4409","0.0006","90","","107.512","0.005","90","","1491.24","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Benzoyl-1-dimethylaminonaphthalene, 10","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0776","0.0559","","","0.1052","0.1138","","","","","","1.075","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217132","12.5626","0.0008","7.4932","0.0004","13.1887","0.0009","90","","98.319","0.006","90","","1228.44","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-dimethylamino-8-trifluoroacetylnaphthalene 11","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0806","0.0517","","","0.0884","0.1017","","","","","","1.046","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217133","7.2319","0.0013","8.6574","0.0013","19.901","0.003","90","","90","","90","","1246","0.3","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-4-trifluoroacetylnaphthalene 13","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","","","0.092","0.0602","","","0.114","0.1298","","","","","","1.067","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217134","11.3796","0.0003","10.5436","0.0002","11.0577","0.0003","90","","97.604","0.002","90","","1315.06","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-1,1,2-trimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride monohydrate, 7-H.Cl.H2O","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.0529","0.0417","","","0.0963","0.1043","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217135","13.8475","0.001","7.7466","0.0004","15.6785","0.0009","90","","106.669","0.006","90","","1611.17","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-methyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate at 150K 7-H.triflate","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.1289","0.1027","","","0.211","0.2254","","","","","","1.235","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217136","6.2039","0.0002","10.6675","0.0003","23.5777","0.0008","90","","97.541","0.003","90","","1546.88","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-2-isopropyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium tetrafluoroborate, 8-H.BF4","","- C16 H20 B F4 N O -","- C16 H20 B F4 N O -","- C64 H80 B4 F16 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0777","0.0582","","","0.1321","0.1424","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217137","21.072","0.004","11.828","0.003","16.397","0.004","90","","112.765","0.014","90","","3768.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium-8-(2,2-dimethylpropanoyl)naphthalene triflate 9-H.triflate","","- C18 H22 F3 N O4 S -","- C18 H22 F3 N O4 S -","- C144 H176 F24 N8 O32 S8 -","8","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0476","0.0419","","","0.0846","0.0882","","","","","","1.036","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217138","13.6452","0.0005","13.5547","0.0004","18.2545","0.0008","90","","90","","90","","3376.3","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Dimethyl-N-(8-benzoylnaphth-1-yl)ammonium tetrafluoroborate, 10-H.BF4","","- C19 H18 B F4 N O -","- C19 H18 B F4 N O -","- C152 H144 B8 F32 N8 O8 -","8","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.1055","0.0767","","","0.1518","0.166","","","","","","1.114","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217139","10.3782","0.0007","17.4219","0.0008","9.9913","0.0004","90","","103.321","0.007","90","","1757.9","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-trifluoromethyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate monohydrate 11-H.triflate.H2O","","- C15 H15 F6 N O5 S -","- C15 H15 F6 N O5 S -","- C60 H60 F24 N4 O20 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0395","0.0322","","","0.0753","0.0783","","","","","","1.057","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217140","26.3596","0.0011","5.8523","0.0003","32.3137","0.0011","90","","105.987","0.004","90","","4792.1","0.4","240","0.1","240","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F2 N8 O11 S2 -","- C16 H20 F2 N8 O11 S2 -","- C128 H160 F16 N64 O88 S16 -","8","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0672","0.0451","","","0.0978","0.1066","","","","","","1.01","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217141","7.2613","0.0002","10.5289","0.0003","11.6662","0.0004","66.818","0.0011","82.022","0.0012","78.567","0.0012","801.81","0.04","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 F2 N7 O6 S -","- C12 H13 F2 N7 O6 S -","- C24 H26 F4 N14 O12 S2 -","2","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0335","0.0305","","","0.084","0.0866","","","","","","1.057","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217146","5.809","0.0007","20.942","0.003","6.6746","0.0008","90","","107.509","0.002","90","","774.36","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[2-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0591","0.0389","","","0.0876","0.0951","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217147","9.4317","0.0014","3.952","0.0006","20.303","0.003","90","","94.204","0.002","90","","754.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[3-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0611","0.0539","","","0.1382","0.1416","","","","","","1.139","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217148","7.468","0.0011","5.6986","0.0008","36.149","0.005","90","","95.239","0.002","90","","1532","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[4-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.054","0.0411","","","0.1154","0.1243","","","","","","1.055","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217149","6.9517","0.0006","11.5713","0.001","10.0545","0.0008","90","","104.618","0.001","90","","782.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(2-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0498","0.0387","","","0.0925","0.0994","","","","","","1.074","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217150","17.2826","0.0017","6.1796","0.0006","7.0765","0.0007","90","","92.71","0.001","90","","754.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(3-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0453","0.0379","","","0.1027","0.1092","","","","","","1.05","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217151","7.17","0.003","7.181","0.003","9.831","0.004","73.511","0.004","73.892","0.004","89.122","0.004","465.2","0.3","176","2","176","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 As N2 O6 U -","- C4 As N2 O6 U -","- C8 As2 N4 O12 U2 -","2","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0412","0.0319","","","0.0627","0.0659","","","","","","1.013","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217152","18.86","0.002","18.01","0.002","11.1408","0.0013","90","","90","","90","","3784.2","0.7","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 N4 O23 Se5 U4 -","- C16 N4 O23 Se5 U4 -","- C64 N16 O92 Se20 U16 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.068","0.0499","","","0.1046","0.1103","","","","","","1.149","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217153","9.954","0.007","10.264","0.007","19.566","0.014","90","","101.758","0.01","90","","1957","2","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 N4 O22 P4 U3 -","- C20 N4 O22 P4 U3 -","- C40 N8 O44 P8 U6 -","2","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.1448","0.0497","","","0.1014","0.1326","","","","","","0.979","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217154","9.987","0.007","10.251","0.007","20.957","0.014","90","","90","","90","","2146","3","174","2","174","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 N2 O16 Se3 U2 -","- C10 N2 O16 Se3 U2 -","- C40 N8 O64 Se12 U8 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0941","0.0647","","","0.1623","0.1784","","","","","","1.033","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217155","9.5152","0.0009","33.144","0.003","9.6569","0.001","90","","93.211","0.001","90","","3040.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 N2 O31 P4 U5 -","- C4 N2 O31 P4 U5 -","- C16 N8 O124 P16 U20 -","4","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0684","0.045","","","0.1036","0.1163","","","","","","1.015","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217156","38.4736","0.0012","12.0047","0.001","19.0031","0.0016","90","","104.334","0.003","90","","8503.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 Cd3 N28 O8 S5 W2 -","- C70 H62 Cd3 N28 O8 S5 W2 -","- C280 H248 Cd12 N112 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0464","0.0461","","","0.1163","0.1164","","","","","","1.073","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217157","38.0659","0.0011","11.9553","0.0012","18.9714","0.001","90","","103.936","0.0012","90","","8379.5","1","340","2","340","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 Cd3 N28 O5 S5 W2 -","- C70 H56 Cd3 N28 O5 S5 W2 -","- C280 H224 Cd12 N112 O20 S20 W8 -","4","1","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0452","0.0409","","","0.1001","0.1004","","","","","","1.017","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217158","37.855","0.005","11.8053","0.0015","18.885","0.002","90","","104.534","0.002","90","","8169.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Cd3 N26 O8 S5 W2 -","- C66 H56 Cd3 N26 O8 S5 W2 -","- C264 H224 Cd12 N104 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0532","0.0389","","","0.0869","0.0915","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217159","37.571","0.005","11.9361","0.0015","19.196","0.002","90","","104.686","0.002","90","","8327.2","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 Cd3 N26 O6 S5 W2 -","- C70 H60 Cd3 N26 O6 S5 W2 -","- C280 H240 Cd12 N104 O24 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0354","0.0259","","","0.0628","0.0658","","","","","","1.043","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217171","11.4682","0.0002","8.8977","0.0001","15.6872","0.0002","90","","94.074","0.001","90","","1596.69","0.04","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H33 Cu2 N5 O14 -","- C29 H33 Cu2 N5 O14 -","- C58 H66 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0317","0.0296","","","0.0767","0.0782","","","","","","1.041","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217172","11.3256","0.0003","8.9352","0.0002","15.1672","0.0004","90","","93.037","0.003","90","","1532.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O7 -","- C13 H10 Cu N2 O7 -","- C52 H40 Cu4 N8 O28 -","4","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0542","0.0481","","","0.1372","0.1445","","","","","","1.014","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217173","15.0263","0.0003","15.0263","0.0003","17.6363","0.0006","90","","90","","120","","3448.6","0.15","296","2","296","2","","","","","","","","5","P 6/m","-P 6","175","[Ba~5~(L)~3~(H~2~O)~6~].25H~2~O.10DMF.2Me~2~NH~2~^+^","","","- C154 H214 Ba5 N12 O65 -","- C120 H72 Ba5 O30 -","- C120 H72 Ba5 O30 -","1","0.0833333","","Chen, Xiao; He, Sha; Chen, Feiyan; Feng, Yunlong","Synthesis, characterization, and luminescence modulation of a rare barium-tetracarboxylate framework with I2O1connectivity","CrystEngComm","2014","16","37","8706","","10.1039/C4CE01059K","","","0.71073","MoKα","","0.0772","0.0504","","","0.1651","0.1785","","","","","","1","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217174","25.926","0.005","13.837","0.003","15.243","0.003","90","","90","","90","","5468.2","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","{[Mn3L2(pbbm)]CH3CN}n","","","- C63 H45 Mn3 N5 O12 -","- C63 H45 Mn3 N5 O12 -","- C252 H180 Mn12 N20 O48 -","4","1","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.1189","0.0885","","","0.1574","0.1754","","","","","","1.001","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217175","8.8451","0.0018","10.334","0.002","11.762","0.002","77.05","0.03","81.5","0.03","75.82","0.03","1010.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mn3L2(CH3CN)2]n","","","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","1","0.5","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.0651","0.051","","","0.121","0.1377","","","","","","0.995","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217180","28.3148","0.0006","15.8506","0.0003","18.226","0.0004","90","","118.09","0.01","90","","7216.4","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C282 H382 Cl6 N16 O28 S8 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1129","0.0962","","","0.2708","0.2888","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217181","12.6122","0.0005","30.9836","0.0012","18.6901","0.0007","90","","92.349","0.01","90","","7297.4","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H87.5 Cl4.5 N6 O6 -","- C75.5 H87.5 Cl4.5 N6 O6 -","- C302 H350 Cl18 N24 O24 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1638","0.0852","","","0.233","0.2683","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217182","19.5803","0.0005","20.1679","0.0005","18.2981","0.0005","90","","111.82","0.03","90","","6708.1","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H91 N4 O8 S2 -","- C69 H91 N4 O8 S2 -","- C276 H364 N16 O32 S8 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1991","0.0936","","","0.2441","0.2932","","","","","","1.056","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217183","12.1816","0.0003","24.5969","0.0007","26.7522","0.0007","102.923","0.01","95.542","0.01","98.546","0.01","7655.6","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H100 N8 O8 S2 -","- C80 H100 N8 O8 S2 -","- C320 H400 N32 O32 S8 -","4","2","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1123","0.06","","","0.1502","0.1766","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217184","21.951","0.004","12.163","0.003","21.185","0.003","90","","91.17","0.01","90","","5655","1.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H84 N2 O7 -","- C61 H84 N2 O7 -","- C244 H336 N8 O28 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.0784","0.0649","","","0.1746","0.1923","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217185","10.0646","0.0011","15.6235","0.0017","20.246","0.002","90","","90","","90","","3183.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N2 O4 -","- C37 H36 Cl2 N2 O4 -","- C148 H144 Cl8 N8 O16 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.07","0.047","","","0.0789","0.086","","","","","","0.982","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217186","27.48","0.02","20.311","0.015","19.585","0.014","90","","92.34","0.06","90","","10922","14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","06kma022","","","- C60 H82 N2 O4 -","- C60 H82 N2 O4 -","- C480 H656 N16 O32 -","8","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1672","0.0648","","","0.1364","0.1687","","","","","","0.792","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217187","13.4692","0.0015","15.0701","0.0016","15.3241","0.0016","91.994","0.002","115.71","0.002","109.003","0.002","2592.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 N2 O4 -","- C56 H74 N2 O4 -","- C112 H148 N4 O8 -","2","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1334","0.0713","","","0.1566","0.1845","","","","","","1.016","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217188","11.9751","0.0016","13.956","0.002","16.948","0.002","103.541","0.004","106.768","0.004","105.443","0.004","2461.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 Ni S4 -","- C21 H22 N5 Ni S4 -","- C84 H88 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.1988","0.0999","","","0.2502","0.3107","","","","","","0.991","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217189","9.6795","0.0009","11.1962","0.0011","12.7101","0.0013","85.342","0.003","74.876","0.003","85.864","0.003","1323.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N Ni S10 -","- C19 H22 N Ni S10 -","- C38 H44 N2 Ni2 S20 -","2","1","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.0454","0.034","","","0.0786","0.0853","","","","","","1.037","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217190","7.9725","0.001","14.7293","0.0017","44.097","0.005","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N3 Ni S7 -","- C20 H22 N3 Ni S7 -","- C160 H176 N24 Ni8 S56 -","8","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.2155","0.0612","","","0.0697","0.0915","","","","","","0.963","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217192","12.4555","0.001","14.7313","0.0012","15.9151","0.0012","63.621","0.002","81.425","0.002","83.341","0.002","2582.8","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cl F4 Ir N14 O -","- C54 H48 Cl F4 Ir N14 O -","- C108 H96 Cl2 F8 Ir2 N28 O2 -","2","1","","Rawson, Jeremy M.; Donato, Loïc; Zysman-Colman, Eli","Triazole-directed hydrogen-bonded structures of cationic iridium(iii) complexes","CrystEngComm","2014","16","36","8531","","10.1039/C4CE00980K","","","0.71073","MoKα","","0.0497","0.0373","","","0.0831","0.0893","","","","","","1.049","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217197","19.4966","0.0008","19.4966","0.0008","58.604","0.003","90","","90","","120","","19291.9","1.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H51 Cr N12 O105 P2 W24 -","- C72 H51 Cr N12 O105 P2 W24 -","- C216 H153 Cr3 N36 O315 P6 W72 -","3","0.166667","","Liao, Jian-Zhen; Dui, Xue-Jing; Zhang, Hai-Long; Wu, Xiao-Yuan; Lu, Can-Zhong","Polyoxometalate anion‒π interaction-directed assembly of a three-dimensional hydrogen-bonded supramolecular framework with nanoscale porosity","CrystEngComm","2014","16","46","10530","","10.1039/C4CE01283F","","","0.71073","MoKα","","0.122","0.0836","","","0.2451","0.2871","","","","","","1.009","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217199","10.054","0.002","10.073","0.002","12.755","0.003","107.386","0.003","97.437","0.003","96.535","0.002","1206.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 N4 O2 -","- C26 H36 N4 O2 -","- C52 H72 N8 O4 -","2","1","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.058","0.0532","","","0.1479","0.1517","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217200","5.2963","0.001","7.4802","0.0014","11.401","0.002","90","","99.512","0.003","90","","445.47","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C20 H24 N4 -","2","0.5","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.1278","0.1198","","","0.346","0.3593","","","","","","1.581","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217201","15.7215","0.0016","12.0839","0.0012","16.2077","0.0017","90","","106.856","0.002","90","","2946.8","0.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H72 Cl0 Mo2 N2 O8 -","- C68 H72 Mo2 N2 O8 -","- C136 H144 Mo4 N4 O16 -","2","1","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0513","0.0428","","","0.0863","0.091","","","","","","1.014","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217202","14.6862","0.0018","15.6249","0.0018","13.2871","0.0016","90","","90","","90","","3049","0.6","185","2","185","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H74 Cl2 Mo2 N2 O8 -","- C69 H74 Cl2 Mo2 N2 O8 -","- C138 H148 Cl4 Mo4 N4 O16 -","2","0.5","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0989","0.0591","","","0.1202","0.1372","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217203","7.5319","0.0013","20.56","0.003","8.9505","0.0014","90","","114.813","0.008","90","","1258.1","0.4","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.1071","0.0483","","","0.1094","0.1389","","","","","","0.956","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217204","7.7932","0.0006","19.6616","0.0014","8.8023","0.0006","90","","115.553","0.004","90","","1216.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0274","","","0.0538","0.0587","","","","","","1.048","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217205","5.8653","0.0003","9.0752","0.0005","22.3773","0.0013","90","","95.126","0.003","90","","1186.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0364","","","0.0955","0.1103","","","","","","1.173","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217206","7.2201","0.0003","8.6847","0.0003","21.5893","0.0008","85.66","0.002","81.022","0.002","74.403","0.002","1287.11","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","2","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.037","0.0278","","","0.0709","0.0809","","","","","","1.234","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217207","8.0655","0.0005","18.2945","0.001","9.1049","0.0005","90","","105.695","0.003","90","","1293.38","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0326","0.021","","","0.0398","0.0431","","","","","","1.021","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217208","21.263","0.009","4.7949","0.0019","12.348","0.006","90","","91.64","0.02","90","","1258.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,4-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0255","0.0188","","","0.0413","0.0543","","","","","","1.249","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217209","9.6481","0.0012","6.3391","0.0008","7.1825","0.0009","90","","90","","90","","439.28","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N-methylacetamide","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0546","0.0471","","","0.1305","0.1344","","","","","","1.073","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217210","13.008","0.004","16.887","0.005","18.288","0.007","114.561","0.006","92.22","0.013","95.181","0.009","3626","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H129 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","1","0.5","","Fang, Zhen-Lan; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","A microporous cationic metal‒organic framework constructed from metallamacrocycle-based nanocages: structures and luminescence properties","CrystEngComm","2014","16","37","8769","","10.1039/C4CE01185F","","","0.71073","MoKα","","0.1185","0.0808","","","0.1779","0.2098","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217216","17.06","0.0014","29.727","0.003","7.9426","0.0006","90","","90","","90","","4028","0.6","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.1139","0.0477","","","0.1091","0.169","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217217","7.357","0.005","10.583","0.005","25.606","0.005","90","","96.097","0.005","90","","1982.4","1.7","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.0579","0.0412","","","0.1162","0.137","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217218","16.2326","0.0019","14.5987","0.0019","36.175","0.004","90","","94.93","0.009","90","","8540.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N4 O8 Zn2 -","- C30 H22 N4 O8 Zn2 -","- C240 H176 N32 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1355","0.0973","","","0.2692","0.2957","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217219","17.1558","0.0006","13.4604","0.0004","36.1586","0.0011","90","","97.233","0.002","90","","8283.4","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.38 H45.88 N9.13 O11.13 Zn2 -","- C29.921 H19.931 N5.989 O8 Zn2 -","- C239.368 H159.448 N47.912 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1033","0.0722","","","0.2239","0.24","","","","","","1.15","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217220","5.4732","0.0011","14.309","0.003","11.659","0.002","90","","99.48","0.03","90","","900.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0671","0.0461","","","0.116","0.1292","","","","","","1.051","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217221","8.746","0.0017","7.217","0.0014","12.799","0.003","90","","92.68","0.03","90","","807","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0558","0.0409","","","0.1048","0.114","","","","","","1.052","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217222","9.805","0.002","4.8099","0.001","16.66","0.003","90","","98.91","0.03","90","","776.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0511","0.0382","","","0.1054","0.1125","","","","","","1.077","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217223","6.9477","0.0014","7.1623","0.0014","10.509","0.002","78.17","0.03","73.89","0.03","62.48","0.03","443.7","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","1","1","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0429","0.0364","","","0.1037","0.111","","","","","","1.07","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217225","12.4818","0.0014","21.763","0.003","16.509","0.002","90","","103.577","0.005","90","","4359.2","0.9","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 Ce2 N3 O16 -","- C45 H40 Ce2 N3 O16 -","- C180 H160 Ce8 N12 O64 -","4","0.5","","Liu, Yen-Hsiang; Chien, Po-Hsiu","A series of lanthanide‒organic frameworks possessing arrays of 2D intersecting channels within a 3D pillar-supported packed double-decker network and Co2±induced luminescence modulation","CrystEngComm","2014","16","37","8852","","10.1039/C4CE00461B","","x-ray","0.71073","MoKα","","0.1265","0.0728","","","0.1404","0.1595","","","","","","1.05","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217226","16.135","0.003","26.792","0.005","18.63","0.004","90","","110.57","0.03","90","","7540","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H174 Ca5 O44 -","- C156 H174 Ca5 O44 -","- C312 H348 Ca10 O88 -","2","0.5","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.8","synchrotron","","0.1006","0.0864","","","0.2614","0.2786","","","","","","1.196","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217227","16.55","0.002","16.55","0.002","14.748","0.003","90","","90","","120","","3498.3","0.9","100","2","100","2","","","","","","","chemical reaction","5","P -3 1 c","-P 3 2c","163","ZnCaBTB","ZnCaBTB","","- C69.25 H65.28 Ca O19.14 Zn2 -","- C69.258 H65.316 Ca O19.136 Zn2 -","- C138.516 H130.632 Ca2 O38.272 Zn4 -","2","0.166667","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.63","synchrotron","","0.0707","0.0701","","","0.2006","0.201","","","","","","1.187","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217228","22.87","0.005","34.647","0.007","9.535","0.002","90","","90","","90","","7555","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C128 H144 Ag32 Cr32 N192 O120 -","16","1","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0204","0.0199","","","0.0474","0.0477","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217229","12.8374","0.0001","13","","13.2175","0.0005","118.924","0.008","102.91","0.015","99.902","0.012","1777.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","1","0.5","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0346","0.0321","","","0.0859","0.0877","","","","","","1.061","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217230","15.049","0.005","15.269","0.005","22.867","0.005","75.758","0.005","72.92","0.005","70.938","0.005","4681","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 N19 O54 P W11 Zn2.5 -","- C59 H62 N19 O54 P W11 Zn2.5 -","- C118 H124 N38 O108 P2 W22 Zn5 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0843","0.0465","","","0.0829","0.0966","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217231","15.078","0.005","15.311","0.005","22.73","0.005","76.136","0.005","72.873","0.005","70.769","0.005","4675","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 Co2.5 N19 O54 P W11 -","- C59 H60 Co2.5 N19 O53 P W11 -","- C118 H120 Co5 N38 O106 P2 W22 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0675","0.0465","","","0.1101","0.1227","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217251","17.297","0.002","30.446","0.004","14.7303","0.0019","90","","90","","90","","7757.3","1.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 Ni O6 -","- C20 H17 N3 Ni O6 -","- C320 H272 N48 Ni16 O96 -","16","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0733","0.0684","","","0.1784","0.1824","","","","","","1.165","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217252","11.723","0.002","22.957","0.006","31.011","0.011","90","","90","","90","","8346","4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H28 N6 Ni2 O9 -","- C40 H28 N6 Ni2 O9 -","- C320 H224 N48 Ni16 O72 -","8","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.046","0.0432","","","0.1066","0.1076","","","","","","1.142","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217253","10.4229","0.0005","10.5611","0.0006","12.2119","0.0006","114.782","0.003","109.889","0.004","96.087","0.003","1097.92","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N3 O7 Zn2 -","- C24 H16 N3 O7 Zn2 -","- C48 H32 N6 O14 Zn4 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0583","0.0537","","","0.1472","0.1533","","","","","","1.106","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217254","7.5106","0.0002","31.1959","0.0007","10.5537","0.0003","90","","118.658","0.002","90","","2169.82","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 Zn2 -","- C22 H15 N3 O9 Zn2 -","- C88 H60 N12 O36 Zn8 -","4","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0867","0.0774","","","0.213","0.2229","","","","","","1.198","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217255","7.2889","0.0004","9.7098","0.0005","13.6547","0.0007","95.558","0.001","90.979","0.001","93.688","0.001","959.59","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O8 Zn -","- C21 H15 N3 O8 Zn -","- C42 H30 N6 O16 Zn2 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.1166","0.0788","","","0.203","0.2498","","","","","","1.025","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217256","20.233","0.004","10.901","0.002","20.355","0.004","90","","115.467","0.01","90","","4053.3","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 N6 O15 Zn4 -","- C42 H26 N6 O15 Zn4 -","- C168 H104 N24 O60 Zn16 -","4","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0906","0.0842","","","0.2378","0.2432","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217257","14.2985","0.0004","12.5882","0.0003","14.4371","0.0004","90","","112.007","0.001","90","","2409.23","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N4 O10 -","- C20 H22 Co N4 O10 -","- C80 H88 Co4 N16 O40 -","4","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0565","0.0424","","","0.124","0.1347","","","","","","1.057","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217258","6.728","0.0002","8.6182","0.0002","10.0558","0.0003","97.302","0.001","97.195","0.001","92.055","0.001","572.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","1","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0305","0.0295","","","0.0852","0.0861","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217259","19.004","0.0004","6.6043","0.0001","15.8025","0.0004","90","","111.595","0.002","90","","1844.13","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0364","0.0316","","","0.0879","0.0907","","","","","","1.091","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217260","10.088","0.005","12.001","0.005","12.044","0.005","84.583","0.005","67.262","0.005","82.802","0.005","1332.5","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N6 O4 Zn -","- C29 H25 N6 O4 Zn -","- C58 H50 N12 O8 Zn2 -","2","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0564","0.0396","","","0.0882","0.0947","","","","","","1.046","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217261","15.976","0.005","6.097","0.005","20.824","0.005","90","0.005","100.578","0.005","90","0.005","1993.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd N4 O5 -","- C20 H16 Cd N4 O5 -","- C80 H64 Cd4 N16 O20 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0299","0.0258","","","0.0556","0.0574","","","","","","1.043","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217262","13.296","0.001","20.271","0.002","18.723","0.001","90","","114.535","0.003","90","","4590.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl4 O5 P2 Zn2 -","- C44 H42 Cl4 O5 P2 Zn2 -","- C176 H168 Cl16 O20 P8 Zn8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.201","0.0868","","","0.1801","0.2413","","","","","","1.027","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217263","19.851","0.001","19.805","0.001","12.606","0.001","90","","105.37","0.003","90","","4778.8","0.5","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C168 H176 Cd4 Cl16 Cu4 O28 P8 -","2","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1684","0.0392","","","0.0699","0.0985","","","","","","0.845","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217264","13.439","0.004","12.495","0.004","21.984","0.005","90","","90.006","0.005","90","","3691.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 Hg O6 P2 -","- C36 H44 Cl2 Hg O6 P2 -","- C144 H176 Cl8 Hg4 O24 P8 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0495","0.0413","","","0.0798","0.0825","","","","","","1.132","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217265","18.38","0.01","12.946","0.007","18.556","0.01","90","","97.26","0.01","90","","4380","4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cd Cl2 O8 P2 -","- C44 H50 Cd Cl2 O8 P2 -","- C176 H200 Cd4 Cl8 O32 P8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1267","0.0702","","","0.1691","0.1924","","","","","","0.943","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217266","19.11","0.002","19.11","0.002","17.309","0.002","90","","90","","90","","6321.1","1.2","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H66 Cd Cl4 O8 P4 -","- C64 H66 Cd Cl4 O8 P4 -","- C256 H264 Cd4 Cl16 O32 P16 -","4","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0463","0.0332","","","0.0616","0.0648","","","","","","0.931","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217267","9.565","0.001","9.761","0.001","23.907","0.003","90","","91.139","0.002","90","","2231.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl2 O3 P Zn -","- C22 H23 Cl2 O3 P Zn -","- C88 H92 Cl8 O12 P4 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0316","0.0268","","","0.0705","0.0729","","","","","","1.047","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217268","9.822","0.001","9.894","0.001","12.303","0.001","76.679","0.001","80.871","0.001","76.246","0.001","1123.22","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0233","0.0204","","","0.0491","0.0506","","","","","","1.007","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217269","18.129","0.003","12.883","0.002","18.871","0.003","90","","98.154","0.002","90","","4362.9","1.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H46 Cl2 O6 P2 Zn -","- C44 H46 Cl2 O6 P2 Zn -","- C176 H184 Cl8 O24 P8 Zn4 -","4","2","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1553","0.0551","","","0.1185","0.1443","","","","","","0.829","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217270","13.1156","0.0004","14.2632","0.0004","14.7819","0.0004","95.833","0.001","101.823","0.001","115.618","0.001","2383.17","0.12","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 Cd2 Cl8 O20 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0623","0.0421","","","0.1187","0.124","","","","","","0.972","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217271","13.1245","0.0005","17.9402","0.0006","18.6539","0.0007","90","","90","","90","","4392.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Cl2 O11 P2 Zn -","- C42 H52 Cl2 O11 P2 Zn -","- C168 H208 Cl8 O44 P8 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0322","0.0279","","","0.0694","0.0715","","","","","","1.036","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217272","9.991","0.003","10.612","0.003","24.958","0.006","90","","104.45","0.009","90","","2562.5","1.2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H50 Cd Cl2 O6 P2 -","- C54 H46 Cd Cl2 O6.01 P2 -","- C108 H92 Cd2 Cl4 O12.02 P4 -","2","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0584","0.0471","","","0.1583","0.1653","","","","","","1.162","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217273","12.296","0.001","15.163","0.002","16.486","0.002","91.587","0.001","95.492","0.001","104.08","0.001","2963.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H124 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0906","0.0554","","","0.1393","0.1525","","","","","","0.985","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217274","13.451","0.002","12.557","0.002","22.015","0.003","90","","90.216","0.002","90","","3718.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 O6 P2 Zn -","- C36 H44 Cl2 O6 P2 Zn -","- C144 H176 Cl8 O24 P8 Zn4 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0472","0.0421","","","0.1226","0.1264","","","","","","1.006","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217298","9.0285","0.0015","12.877","0.002","17.446","0.003","90","","119.823","0.007","90","","1759.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0959","0.0912","","","0.1606","0.1622","","","","","","1.41","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217299","10.1443","0.0017","18.539","0.003","11.6609","0.0015","90","","122.58","0.01","90","","1847.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O0 Ru -","- C18 H22 Cl2 N2 Ru -","- C72 H88 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0588","0.0537","","","0.15","0.1577","","","","","","1.334","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217300","9.24","0.002","21.764","0.005","9.576","0.002","90","","102.591","0.004","90","","1879.4","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0856","0.0827","","","0.1395","0.1405","","","","","","1.363","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217301","7.8773","0.0016","9.0893","0.0019","14.82","0.003","87.187","0.004","83.837","0.003","70.569","0.003","994.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C36 H46 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0556","0.0544","","","0.1615","0.1662","","","","","","1.427","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217302","9.7344","0.0014","13.158","0.002","16.451","0.002","97.681","0.003","92.007","0.003","106.116","0.003","2000.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Cl2 N O2 Ru -","- C19 H25 Cl2 N O2 Ru -","- C76 H100 Cl8 N4 O8 Ru4 -","4","2","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1103","0.0998","","","0.2314","0.2391","","","","","","1.297","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217303","7.8252","0.0017","9.227","0.002","17.196","0.004","77.288","0.004","80.06","0.004","69.45","0.004","1127.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl2 N O2 Ru -","- C21 H29 Cl2 N O2 Ru -","- C42 H58 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0703","0.0686","","","0.1596","0.1677","","","","","","1.286","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217304","13.381","0.0014","8.933","0.0009","13.2711","0.0013","90","","95.693","0.002","90","","1578.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O2 Ru -","- C15 H17 Cl2 N O2 Ru -","- C60 H68 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1451","0.1411","","","0.2543","0.2562","","","","","","1.441","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217305","6.6232","0.0008","8.5047","0.001","16.752","0.002","101.87","0.002","96.297","0.003","98.447","0.002","903.83","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O2 Ru -","- C17 H21 Cl2 N O2 Ru -","- C34 H42 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1424","0.1364","","","0.2832","0.2899","","","","","","1.334","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217306","8.351","0.003","44.438","0.017","11.41","0.004","90","","98.532","0.005","90","","4187","3","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel","","- C45 H57 N O14 -","- C45 H57 N O14 -","- C180 H228 N4 O56 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1306","0.0989","","","0.2557","0.276","","","","","","1.051","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217307","8.506","0.005","45.16","0.02","11.675","0.006","90","","98.362","0.004","90","","4437","4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel hemihydrate","","- C45 H57.5 N O14.25 -","- C45 H57.5 N O14.25 -","- C180 H230 N4 O57 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1349","0.1002","","","0.2622","0.2838","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217308","12.542","0.002","8.6716","0.0016","42.09","0.008","90","","89.987","0.002","90","","4577.7","1.4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel ethanol solvate hemihydrate","","- C47 H63 N O15.5 -","- C47 H63 N O15.5 -","- C188 H252 N4 O62 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0575","0.0549","","","0.143","0.1456","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217309","11.778","0.005","17.208","0.007","12.339","0.005","90","","109.747","0.005","90","","2353.8","1.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel tetrahydrofurane solvate","","- C45 H57 N O14 -","- C48.5 H64.02 N O15 -","- C97 H128.04 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1093","0.0869","","","0.1698","0.1789","","","","","","1.126","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217310","11.725","0.002","17.328","0.003","12.449","0.002","90","","110.453","0.002","90","","2369.8","0.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel Acetone Solvate","","- C48 H63 N O15 -","- C48 H63 N O15 -","- C96 H126 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0334","0.0317","","","0.0805","0.0817","","","","","","1.032","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217320","14.8105","0.0006","10.1034","0.0006","6.8817","0.0003","90","","90","","90","","1029.75","0.09","293","","293","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0307","","","","0.0549","","","","","","1.052","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217321","4.2971","0.0012","8.22","0.003","8.247","0.003","110.85","0.03","102.04","0.03","94.82","0.03","262.22","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","1","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.059","","","","0.0786","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217322","4.1718","0.0002","27.4616","0.0014","7.6232","0.0006","90","","97.299","0.003","90","","866.27","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C24 H32 Cu4 I4 N8 -","4","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0683","","","","0.1122","","","","","","1.473","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217323","14.102","0.005","15.392","0.006","8.233","0.003","90","","97.833","0.018","90","","1770.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Cu I N -","- C7 H9 Cu I N -","- C56 H72 Cu8 I8 N8 -","8","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0352","","","","0.0607","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217324","7.54","0.0015","26.67","0.005","8.2","0.002","90","","97.002","0.018","90","","1636.7","0.6","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl4 Hg N6 -","- C10 H10 Cl4 Hg N6 -","- C40 H40 Cl16 Hg4 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1012","0.0588","","","0.1529","0.1692","","","","","","1.018","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217325","7.303","0.0018","8.599","0.002","21.577","0.009","90","","94.32","0.03","90","","1351.2","0.7","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N6 O -","- C10 H12 Cl2 N6 O -","- C40 H48 Cl8 N24 O4 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1098","0.0476","","","0.1032","0.1225","","","","","","1.02","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217326","7.478","0.002","26.697","0.005","8.27","0.003","90","","96.55","0.02","90","","1640.2","0.8","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cd Cl4 N6 -","- C10 H10 Cd Cl4 N6 -","- C40 H40 Cd4 Cl16 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0771","0.0418","","","0.0949","0.1071","","","","","","1.071","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217327","9.5097","0.0019","11.521","0.003","14.622","0.003","90","","92.794","0.017","90","","1600.1","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N9 O9 -","- C10 H11 N9 O9 -","- C40 H44 N36 O36 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1031","0.0534","","","0.1291","0.1459","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217328","11.395","0.004","14.021","0.006","10.265","0.004","90","","90","","90","","1640","1.1","294","2","294","2","","","","","","","synthesis as described","5","C c m 21","C 2c -2c","36","","","","- C10 H10 Cl4 N6 Zn -","- C10 H10 Cl4 N6 Zn -","- C40 H40 Cl16 N24 Zn4 -","4","0.5","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0582","0.042","","","0.087","0.0923","","","","","","0.996","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217376","17.145","0.003","14.709","0.0018","7.0193","0.0011","90","","93.319","0.015","90","","1767.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1369","0.1307","","","0.3356","0.3384","","","","","","1.179","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217380","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0598","0.0468","","","0.1065","0.1118","","","","","","1.078","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217396","17.435","0.0004","13.8312","0.0003","9.7128","0.0002","90","","96.559","0.001","90","","2326.88","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 O6 -","- C21 H33 N3 O6 -","- C84 H132 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0338","0.0298","","","0.0768","0.0799","","","","","","1.059","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217397","21.294","0.0014","13.8436","0.001","9.823","0.0007","90","","91.467","0.004","90","","2894.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 N3 O6 -","- C27 H45 N3 O6 -","- C108 H180 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0579","0.0487","","","0.1285","0.1336","","","","","","1.121","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217416","9.9574","0.0004","6.9766","0.0003","14.392","0.0006","90","","105.769","0.001","90","","962.17","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 K4 O16 U5 -","- Cl2 K4 O16 U5 -","- Cl4 K8 O32 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0383","0.0292","","","0.0586","0.0613","","","","","","1.06","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217417","10.2164","0.0004","7.016","0.0003","14.493","0.0005","90","","103.829","0.001","90","","1008.72","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 O16 Rb4 U5 -","- Cl2 O16 Rb4 U5 -","- Cl4 O32 Rb8 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0492","0.0348","","","0.0667","0.0709","","","","","","1.048","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217418","10.6214","0.0005","18.1071","0.0008","16.0857","0.0007","90","","102.985","0.001","90","","3014.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 Cs5 O22 U7 -","- Cl3 Cs5 O22 U7 -","- Cl12 Cs20 O88 U28 -","4","1","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0628","0.0409","","","0.0734","0.0808","","","","","","1.032","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217419","7.3602","0.0006","4.1127","0.0003","8.5556","0.0007","90","","104.602","0.002","90","","250.62","0.03","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl O3 Rb U -","- Cl O3 Rb U -","- Cl2 O6 Rb2 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0357","0.0316","","","0.0685","0.0699","","","","","","1.181","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217420","7.7768","0.0004","4.1245","0.0002","8.7701","0.0005","90","","105.468","0.001","90","","271.12","0.02","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Cs O3 U -","- Cl Cs O3 U -","- Cl2 Cs2 O6 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0289","0.0256","","","0.0563","0.0575","","","","","","1.079","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217443","7.3579","0.0015","13.615","0.003","17.984","0.004","90","","101.78","0.03","90","","1763.7","0.7","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.065","0.0432","","","0.079","0.0865","","","","","","1.061","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217444","15.057","0.003","7.2462","0.0014","15.986","0.003","90","","91.32","0.03","90","","1743.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0874","0.0556","","","0.1157","0.131","","","","","","1.115","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217445","7.3271","0.0002","10.3563","0.0003","24.6666","0.0007","88.096","0.002","81.458","0.002","77.009","0.001","1803.6","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.071","0.0491","","","0.1003","0.1119","","","","","","1.05","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217446","7.2196","0.0004","11.8203","0.0006","20.893","0.001","90","","97.366","0.002","90","","1768.25","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0624","0.0476","","","0.121","0.1289","","","","","","1.057","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217447","7.2604","0.0015","20.872","0.004","36.565","0.007","98.49","0.03","95.63","0.03","95.1","0.03","5424","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C168 H72 Cl48 N48 S48 -","24","12","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.1763","0.1437","","","0.2447","0.2565","","","","","","1.324","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217450","24.1816","0.0006","10.4269","0.0003","11.7456","0.0003","90","","90","","90","","2961.53","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 Cl2 N4 O -","- C35 H36 Cl2 N4 O -","- C140 H144 Cl8 N16 O4 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0553","0.0399","","","0.0911","0.0999","","","","","","0.94","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217451","6.3103","0.0002","10.254","0.0003","10.7089","0.0003","83.053","0.001","77.266","0.002","80.846","0.001","664.62","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0319","0.0316","","","0.093","0.0934","","","","","","1.11","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217452","6.0409","0.0002","8.0224","0.0003","27.0534","0.001","90","","90","","90","","1311.08","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.36 H16.07 Cl0.64 N2 -","- C16.356 H16.068 Cl0.644 N2 -","- C65.424 H64.272 Cl2.576 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0418","0.0376","","","0.0898","0.0914","","","","","","1.191","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217453","6.3568","0.0004","10.4138","0.0007","10.7105","0.0007","82.302","0.004","75.969","0.003","82.058","0.003","677.53","0.08","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31.23 H27.68 Br2.74 N4 -","- C31.226 H27.678 Br2.736 N4 -","- C31.226 H27.678 Br2.736 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0434","0.0376","","","0.0934","0.096","","","","","","1.027","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217454","7.8192","0.0002","9.8988","0.0003","18.2061","0.0005","78.154","0.002","79.977","0.002","72.633","0.001","1306.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","2","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0296","0.0243","","","0.0591","0.0623","","","","","","1.046","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217455","6.0853","0.0005","13.6203","0.0014","16.017","0.002","90","","92.009","0.009","90","","1326.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0641","0.0406","","","0.0918","0.1026","","","","","","1.051","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217456","8.4113","0.0001","9.0495","0.0001","25.1456","0.0003","90","","90","","90","","1914.03","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br2 Cl4 N2 -","- C16 H14 Br2 Cl4 N2 -","- C64 H56 Br8 Cl16 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.028","0.0278","","","0.094","0.094","","","","","","1.222","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217457","5.7702","0.0001","15.3388","0.0002","13.9156","0.0002","90","","94.316","0.001","90","","1228.15","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C56 H40 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0518","0.0382","","","0.0958","0.1035","","","","","","1.052","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217600","11.7903","0.0015","9.314","0.0013","14.652","0.002","90","","94.385","0.002","90","","1604.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16.6 Co N2 O7.3 P2 -","- C12 H16 Co N2 O7.3 P2 -","- C48 H64 Co4 N8 O29.2 P8 -","4","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0508","0.039","","","0.0941","0.1018","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217601","17.119","0.002","8.9053","0.0012","12.389","0.0017","90","","124.674","0.002","90","","1553.3","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O8 P2 -","- C12 H18 N2 Ni O8 P2 -","- C48 H72 N8 Ni4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0353","0.0319","","","0.0831","0.0851","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217602","23.7747","0.0014","23.7747","0.0014","28.216","0.004","90","","90","","120","","13812","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C28 H30 N4 Ni O8 P2 -","- C28 H30 N4 Ni O8 P2 -","- C504 H540 N72 Ni18 O144 P36 -","18","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1272","0.0666","","","0.1512","0.1891","","","","","","1.013","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217603","10.3111","0.0016","10.7447","0.0017","11.805","0.002","71.192","0.004","65.659","0.004","83.226","0.004","1127.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 Ni O9 P2 -","- C18 H24 N2 Ni O9 P2 -","- C36 H48 N4 Ni2 O18 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1078","0.0586","","","0.115","0.1341","","","","","","0.973","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217604","10.3161","0.0014","11.508","0.003","12.0717","0.0016","105.48","0.003","109.935","0.002","101.391","0.004","1230.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N2 Ni O10 P2 -","- C20 H28 N2 Ni O10 P2 -","- C40 H56 N4 Ni2 O20 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0879","0.0492","","","0.1002","0.1115","","","","","","0.979","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217605","16.906","0.011","8.996","0.006","12.435","0.008","90","","125.406","0.012","90","","1541.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu N2 O8 P2 -","- C12 H18 Cu N2 O8 P2 -","- C48 H72 Cu4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0628","0.0442","","","0.1019","0.1104","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217606","7.309","0.003","8.365","0.004","9.315","0.004","97.459","0.006","112.125","0.006","90.768","0.007","521.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0745","0.0519","","","0.1276","0.1352","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217607","9.1979","0.0007","10.0023","0.0009","12.2994","0.0009","85.738","0.003","77.906","0.002","65.089","0.003","1003.37","0.14","275","2","275","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 O6 P2 Zn -","- C18 H18 N2 O6 P2 Zn -","- C36 H36 N4 O12 P4 Zn2 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0752","0.0416","","","0.0817","0.0891","","","","","","1.02","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217608","17.447","0.002","8.7795","0.0011","12.845","0.003","90","","123.703","0.001","90","","1636.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O8 P2 -","- C12 H18 Cd N2 O8 P2 -","- C48 H72 Cd4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0368","0.0296","","","0.0724","0.0761","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217627","29.627","0.003","29.627","0.003","29.627","","90","","90","","90","","26005","4","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C75 H38 Cu6 N6 O36 -","- C75 H39 Cu6 N6 O36 -","- C600 H312 Cu48 N48 O288 -","8","0.25","","Zheng, Baishu; Lin, Xiu; Wang, Zhaoxu; Yun, Ruirui; Fan, Yanpeng; Ding, Mingsheng; Hu, Xiaolian; Yi, Pinggui","Enhanced water stability of a microporous acylamide-functionalized metal‒organic framework via interpenetration and methyl decoration","CrystEngComm","2014","16","41","9586","","10.1039/C4CE01165A","","","0.71073","MoKα","","0.1257","0.0958","","","0.3059","0.3233","","","","","","1.199","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217628","10.4839","0.0018","11.84","0.003","14.034","0.002","105.645","0.011","101.222","0.009","112.358","0.005","1462.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Fe2 N5 O9 -","- C26 H19 Fe2 N5 O9 -","- C52 H38 Fe4 N10 O18 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.043","0.0352","","","0.1121","0.1268","","","","","","1.043","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217629","10.996","0.004","10.359","0.004","7.723","0.003","90","","102.018","0.006","90","","860.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Fe N O6 -","- C7 H7 Fe N O6 -","- C28 H28 Fe4 N4 O24 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0459","0.0381","","","0.0949","0.0975","","","","","","1.138","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217630","7.137","0.003","7.968","0.003","9.108","0.004","75.892","0.017","68.644","0.015","76.345","0.016","461.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Fe N O7 -","- C7 H7 Fe N O7 -","- C14 H14 Fe2 N2 O14 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0323","0.03","","","0.1144","0.1191","","","","","","1.065","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217631","10.1761","0.0009","5.9639","0.0005","13.3111","0.0014","90","","96.591","0.006","90","","802.5","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Fe N2 O4 -","- C9 H4 Fe N2 O4 -","- C36 H16 Fe4 N8 O16 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0442","0.0364","","","0.1064","0.1207","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217632","9.345","0.009","6.916","0.004","14.615","0.009","90","","104.44","0.05","90","","914.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Fe N2 O5 -","- C9 H6 Fe N2 O5 -","- C36 H24 Fe4 N8 O20 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0387","0.0331","","","0.1135","0.1237","","","","","","1.05","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217633","7.292","0.003","10.07","0.004","10.272","0.004","113.983","0.003","99.683","0.001","103.652","0.005","639.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Fe N O6 -","- C13 H11 Fe N O6 -","- C26 H22 Fe2 N2 O12 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0407","0.0365","","","0.1217","0.1276","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217645","7.702","0.0019","11.163","0.003","11.884","0.003","106.861","0.002","92.79","0.002","94.258","0.002","972.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.03","0.0271","","","0.071","0.0729","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217646","14.845","0.003","31.844","0.007","10.082","0.002","90","","111.011","0.002","90","","4449.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 Cu F20 O4 -","- C48 H26 Cu F20 O4 -","- C192 H104 Cu4 F80 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.036","0.0299","","","0.0785","0.0822","","","","","","1.045","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217647","7.319","0.003","9.625","0.003","12.998","0.005","82.099","0.004","76.943","0.004","88.95","0.004","883.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0368","0.0322","","","0.0816","0.0847","","","","","","1.059","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217648","9.8602","0.0012","16.961","0.002","24.948","0.003","90","","90","","90","","4172.3","0.9","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C184 H88 Cu4 F80 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0284","0.025","","","0.0623","0.0642","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217649","7.7727","0.0017","12.309","0.003","12.672","0.003","65.03","0.002","85.208","0.002","79.032","0.002","1079","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0367","0.0299","","","0.0743","0.0785","","","","","","1.041","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217650","12.3918","0.0008","10.5445","0.0006","10.1291","0.0006","90","","91.106","0.001","90","","1323.28","0.14","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 Cu F16 O4 -","- C30 H6 Cu F16 O4 -","- C60 H12 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0318","0.0272","","","0.0676","0.0699","","","","","","1.091","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217651","8.8327","0.0004","20.6413","0.001","10.515","0.0005","90","","106.655","0.001","90","","1836.65","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cu F16 O4 -","- C42 H18 Cu F16 O4 -","- C84 H36 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0299","0.027","","","0.0716","0.0731","","","","","","1.047","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217652","7.728","0.002","11.089","0.003","12.681","0.004","106.688","0.003","104.543","0.003","92.432","0.003","999.9","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0292","0.0269","","","0.0721","0.0739","","","","","","1.067","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217653","29.351","0.003","10.5754","0.0012","21.985","0.003","90","","96.857","0.001","90","","6775.3","1.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 Cu F16 O4 -","- C38 H16 Cu F16 O4 -","- C304 H128 Cu8 F128 O32 -","8","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0721","0.0374","","","0.0765","0.0901","","","","","","1.003","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217654","8.0572","0.0014","23.306","0.004","10.5652","0.0018","90","","105.83","0.002","90","","1908.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 Cu F16 O4 -","- C44 H22 Cu F16 O4 -","- C88 H44 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.038","0.0314","","","0.0767","0.0801","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217655","7.225","0.002","10.922","0.004","16.756","0.005","88.023","0.004","86.76","0.003","86.128","0.004","1316.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H10 Cu F12 O4 -","- C30 H10 Cu F12 O4 -","- C60 H20 Cu2 F24 O8 -","2","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0388","0.0291","","","0.0707","0.0752","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217656","8.706","0.0014","17.782","0.003","23.038","0.004","90","","99.888","0.002","90","","3513.5","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu F12 O4 -","- C42 H22 Cu F12 O4 -","- C168 H88 Cu4 F48 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.056","0.0422","","","0.0999","0.1069","","","","","","1.025","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217657","7.126","0.0015","11.308","0.002","13.124","0.003","111.308","0.002","95.096","0.002","100.13","0.002","956.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.033","0.0299","","","0.0802","0.0823","","","","","","1.033","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217658","7.4012","0.0005","25.6642","0.0016","17.3466","0.0011","90","","93.996","0.001","90","","3286.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 Cu F12 O4 -","- C38 H20 Cu F12 O4 -","- C152 H80 Cu4 F48 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0595","0.0368","","","0.0902","0.1057","","","","","","1.055","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217659","7.0546","0.0011","9.8563","0.0015","16.396","0.003","73.042","0.002","88.21","0.002","71.792","0.002","1033.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0333","0.0286","","","0.0734","0.0763","","","","","","1.037","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217660","7.1345","0.0005","7.3565","0.0005","12.0946","0.0008","97.506","0.001","100.942","0.001","94.594","0.001","614.31","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0257","0.0244","","","0.063","0.0637","","","","","","1.049","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217661","8.8091","0.0004","9.6702","0.0004","12.4941","0.0005","93.7","0.002","97.546","0.002","101.939","0.002","1027.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","0.71073","MoKα","","0.0297","0.0277","","","0.0718","0.0738","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217662","7.1645","0.0002","10.8025","0.0003","14.3429","0.0004","80.302","0.001","75.662","0.001","89.267","0.001","1059.63","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","1.54178","CuKα","","0.0373","0.0328","","","0.0859","0.0885","","","","","","1.109","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217665","11.734","0.005","11.967","0.005","12.461","0.005","90","","114.528","0.007","90","","1591.9","1.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N13 O -","- C34 H18 Fe N13 O -","- C68 H36 Fe2 N26 O2 -","2","0.5","","Xu, Lei; Wang, Jintao; Xu, Yan; Zhang, Zaiyong; Lu, Ping; Fang, Min; Li, Shunli; Sun, Peipei; Liu, Hong-Ke","A new strategy to construct metal‒organic frameworks with ultrahigh chemical stability","CrystEngComm","2014","16","37","8656","","10.1039/C4CE01218F","","","0.71073","MoKα","","0.1353","0.0887","","","0.2326","0.2637","","","","","","1.052","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217666","3.8884","0.0006","14.2024","0.0015","28.643","0.003","90","","90","","90","","1581.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Cl N O -","- C23 H14 Cl N O -","- C92 H56 Cl4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0641","0.0488","","","0.1147","0.1211","","","","","","1.007","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217667","3.9311","0.0003","14.2544","0.0009","28.777","0.003","90","","90","","90","","1612.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0801","0.0722","","","0.1333","0.1375","","","","","","1.117","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217668","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217669","24.1672","0.0015","4.0091","0.0002","17.5905","0.0012","90","","90","","90","","1704.32","0.18","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H13 Br2 N O -","- C23 H13 Br2 N O -","- C92 H52 Br8 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.039","0.0348","","","0.0737","0.0752","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217670","25.4","0.002","14.8069","0.0011","9.0424","0.0006","90","","100.146","0.006","90","","3347.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.1044","0.0736","","","0.1328","0.1438","","","","","","1.094","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217680","4.7556","0.0002","5.803","0.0004","39.1558","0.0019","90","","90.537","0.004","90","","1080.53","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Ni O4 S4 -","- C20 H22 Ni O4 S4 -","- C40 H44 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.0791","0.0583","","","0.1021","0.1096","","","","","","1.092","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217681","6.264","0.0013","6.4556","0.0014","14.969","0.003","78.985","0.017","86.378","0.016","86.602","0.017","592.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1038","0.0564","","","0.1313","0.1591","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217682","5.6942","0.0009","18.8463","0.0014","10.81","0.0007","90","","90.696","0.009","90","","1160","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O4 S4 -","- C22 H20 N2 Ni O4 S4 -","- C44 H40 N4 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1001","0.0588","","","0.0977","0.1114","","","","","","0.982","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217683","6.503","0.006","10.171","0.009","11.709","0.01","75.41","0.08","80.37","0.08","72.19","0.08","710.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1376","0.0775","","","0.1631","0.2144","","","","","","0.93","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217684","5.7453","0.0003","19.0518","0.001","11.076","0.0007","90","","91.441","0.004","90","","1211.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 Pt S4 -","- C22 H20 N2 O4 Pt S4 -","- C44 H40 N4 O8 Pt2 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.066","0.0378","","","0.059","0.0671","","","","","","0.927","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217685","18.8991","0.0014","15.5229","0.0011","9.0702","0.0007","90","","90","","90","","2660.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 Er2 N2 O16 -","- C24 H22 Er2 N2 O16 -","- C96 H88 Er8 N8 O64 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0233","0.0228","","","0.0543","0.0546","","","","","","1.001","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217686","18.825","0.014","15.373","0.011","9.047","0.007","90","","90","","90","","2618","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Yb2 -","- C24 H22 N2 O16 Yb2 -","- C96 H88 N8 O64 Yb8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0403","0.0376","","","0.0614","0.0621","","","","","","0.997","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217687","19.116","0.007","15.714","0.006","9.069","0.004","90","","90","","90","","2724.2","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Sm2 -","- C24 H22 N2 O16 Sm2 -","- C96 H88 N8 O64 Sm8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0297","0.0282","","","0.067","0.0676","","","","","","0.998","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217688","6.4355","0.0012","13.462","0.002","13.753","0.002","61.532","0.002","82.433","0.003","81.244","0.002","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Gd O10 -","- C22 H15 Gd O10 -","- C44 H30 Gd2 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0608","0.0611","","","","","","1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217689","11.8863","0.0044","15.3948","0.0059","10.5539","0.004","90","","95.0116","0.0023","90","","1923.8","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 F3 N3 O3 -","- C18 H24 F3 N3 O3 -","- C72 H96 F12 N12 O12 -","4","2","","Zehe, Christoph; Schmidt, Marko; Siegel, Renée; Kreger, Klaus; Daebel, Venita; Ganzleben, Sandra; Schmidt, Hans-Werner; Senker, Jürgen","Influence of fluorine side-group substitution on the crystal structure formation of benzene-1,3,5-trisamides","CrystEngComm","2014","16","39","9273","","10.1039/C4CE01077A","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217690","7.8644","0.0002","23.7196","0.0005","10.4242","0.0002","90","","96.213","0.003","90","","1933.11","0.07","176","2","176.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0825","0.053","","","0.1184","0.1328","","","","","","1.053","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217691","18.6194","0.0005","8.3392","0.0002","12.7669","0.0003","90","","100.331","0.003","90","","1950.19","0.09","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.084","0.0596","","","0.1498","0.1674","","","","","","1.052","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217692","8.3029","0.0003","45.5165","0.0017","11.0152","0.0004","90","","103.692","0.004","90","","4044.6","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 -","- C20 H25 N3 O6 -","- C160 H200 N24 O48 -","8","2","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0931","0.0593","","","0.1239","0.1401","","","","","","1.059","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7217693","13.7775","0.0003","7.21311","0.00013","21.4071","0.0003","90","","90.4904","0.0016","90","","2127.33","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 S -","- C20 H25 N3 O6 S -","- C80 H100 N12 O24 S4 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0607","0.0446","","","0.1137","0.1245","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217694","5.4543","0.0011","13.088","0.003","19.406","0.004","90","","93.39","0.03","90","","1382.9","0.5","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1097","0.0869","","","0.2811","0.3107","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217695","19.586","0.003","19.586","0.003","24.077","0.005","90","","90","","90","","9236","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 N8 O12 Zn -","- C34 H30 N8 O12 Zn -","- C272 H240 N64 O96 Zn8 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1172","0.0787","","","0.2072","0.2292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217696","12.47","0.003","12.614","0.003","14.991","0.003","91.74","0.03","102.37","0.03","116.9","0.03","2032","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N9 O14 Zn -","- C36 H41 N9 O14 Zn -","- C72 H82 N18 O28 Zn2 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0942","0.0582","","","0.1462","0.1699","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217697","12.355","0.003","12.541","0.003","14.681","0.003","91.05","0.03","102.88","0.03","117.34","0.03","1950.6","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 Cu N9 O14 -","- C36 H41 Cu N9 O14 -","- C72 H82 Cu2 N18 O28 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0754","0.0704","","","0.1711","0.1755","","","","","","1.085","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217698","12.28","0.003","12.491","0.003","14.649","0.003","91.44","0.03","102.46","0.03","115.88","0.03","1955.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Co N8 O13 -","- C32 H32 Co N8 O13 -","- C64 H64 Co2 N16 O26 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0784","0.0661","","","0.1577","0.1664","","","","","","1.1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217699","19.379","0.003","19.379","0.003","23.744","0.005","90","","90","","90","","8917","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Cu N8 O12 -","- C34 H30 Cu N8 O12 -","- C272 H240 Cu8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.163","0.0913","","","0.2315","0.2719","","","","","","1.021","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217700","19.642","0.003","19.642","0.003","23.896","0.005","90","","90","","90","","9219","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Co N8 O12 -","- C34 H30 Co N8 O12 -","- C272 H240 Co8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0733","0.0636","","","0.1776","0.1843","","","","","","1.017","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217722","12.7953","0.001","12.7953","0.001","12.7953","0.001","90","","90","","90","","2094.8","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C24 O13 Zn4 -","1","0.0208333","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","1.54184","CuKα","","0.2189","0.1982","","","0.5018","0.5309","","","","","","2.242","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217723","25.7643","0.0003","25.7643","0.0003","25.7643","0.0003","90","","90","","90","","17102.3","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","0.71073","MoKα","","0.0938","0.0616","","","0.1817","0.2249","","","","","","1.067","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217724","35.744","0.002","35.744","0.002","23.9081","0.0016","90","","90","","120","","26453","3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C210 H162 Cl18 N18 O6 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C558 H378 Cl36 N54 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0526","0.0311","","","0.0626","0.0661","","","","","","0.799","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217725","23.6145","0.0015","23.6145","0.0015","16.4568","0.001","90","","90","","90","","9177","1","123","2","123","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C125 H84 Cl12 F20 N12 O5 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1907","0.0769","","","0.159","0.1884","","","","","","0.853","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217726","14.9652","0.001","16.3097","0.0012","24.4444","0.0018","90","","91.698","0.002","90","","5963.7","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H43 Cl3 I4 N6 Zn2 -","- C63 H43 Cl3 I4 N6 Zn2 -","- C252 H172 Cl12 I16 N24 Zn8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","0.71073","MoKα","","0.0728","0.0493","","","0.1034","0.1195","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217727","70.6015","0.0018","70.6015","0.0018","23.992","0.0006","90","","90","","120","","103568","5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C206 H146 Cl18 N18 O2 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C2232 H1512 Cl144 N216 Zn72 -","12","0.666667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.179","0.1199","","","0.2869","0.3228","","","","","","0.971","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217728","14.3701","0.0012","22.089","0.002","26.512","0.003","95.414","0.006","95.48","0.006","92.935","0.005","8324.2","1.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H125 Cl20 N12 O4 Zn4 -","- C124 H84 Cl8 N12 Zn4 -","- C248 H168 Cl16 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0941","0.0714","","","0.1933","0.2079","","","","","","1.034","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217729","14.3665","0.0006","20.7814","0.0008","26.2162","0.0013","99.654","0.003","97.51","0.003","103.905","0.003","7369.5","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H93 Cl22 F20 N12 O2 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1002","0.0695","","","0.1763","0.1906","","","","","","0.932","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217763","26.846","0.005","27.178","0.005","9.766","0.002","90","","90","","90","","7125","2","100","2","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C63 H67 N6 O20 Zn3 -","- C54 H42 N3 O17 Zn3 -","- C216 H168 N12 O68 Zn12 -","4","","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.2225","0.1213","","","0.3507","0.3981","","","","","","1.204","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217764","18.5127","0.0003","18.5127","0.0003","78.4908","0.0018","90","","90","","120","","23296.4","0.8","123","2","123","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H68 N7.33 O16.67 Zn2 -","- C34.0004 H14 N1.33327 O10.6666 Zn2 -","- C612.007 H252 N23.9988 O191.999 Zn36 -","18","0.5","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","1.5418","CuKα","","0.1045","0.0922","","","0.216","0.2281","","","","","","1.028","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217765","27.063","0.009","27.063","0.009","16.107","0.003","90","","90","","120","","10216","5","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C34.5 H28.5 N1.5 O11.5 Zn2 -","- C30 H14 O10 Zn2 -","- C270 H126 O90 Zn18 -","9","0.25","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.0746","0.069","","","0.192","0.1954","","","","","","1.177","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217770","13.852","0.004","13.852","0.004","6.4216","0.0017","90","","90","","90","","1232.2","0.6","173","2","173","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","lithium phthalocyanine","lithium phthalocyanine","","- C32 H16 Li N8 -","- C32 H16 Li N8 -","- C64 H32 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0483","0.0426","","","0.1054","0.1089","","","","","","1.094","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217771","13.843","0.0009","13.843","0.0009","6.4156","0.0006","90","","90","","90","","1229.41","0.16","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.11 Li N8 -","- C32 H16 Cl0.11 Li N8 -","- C64 H32 Cl0.22 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.07","0.0552","","","0.1138","0.1206","","","","","","1.12","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217772","13.829","0.005","13.829","0.005","6.406","0.002","90","","90","","90","","1225.1","0.7","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.2 Li N8 -","- C32 H16 Cl0.2 Li N8 -","- C64 H32 Cl0.4 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0624","0.0502","","","0.1129","0.1195","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217773","13.864","0.006","13.864","0.006","6.414","0.003","90","","90","","90","","1232.8","0.9","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.21 Li N8 -","- C32 H16 Cl0.21 Li N8 -","- C64 H32 Cl0.42 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0866","0.074","","","0.1988","0.2126","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217774","13.841","0.004","13.841","0.004","6.4027","0.0018","90","","90","","90","","1226.6","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.24 Li N8 -","- C32 H16 Cl0.24 Li N8 -","- C64 H32 Cl0.48 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0567","0.0471","","","0.1081","0.114","","","","","","1.106","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217775","13.843","0.004","13.843","0.004","6.394","0.002","90","","90","","90","","1225.3","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.38 Li N8 -","- C32 H16 Cl0.38 Li N8 -","- C64 H32 Cl0.76 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0638","0.0553","","","0.1542","0.1611","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217776","13.8605","0.0007","13.8605","0.0007","6.3917","0.0005","90","","90","","90","","1227.93","0.13","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.46 Li N8 -","- C32 H16 Cl0.46 Li N8 -","- C64 H32 Cl0.92 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0588","0.0505","","","0.1419","0.1477","","","","","","1.124","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217777","5.6421","0.0002","28.9519","0.0013","7.8627","0.0003","90","","95.521","0.002","90","","1278.41","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calciumMOF","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0384","0.0313","","","0.089","0.1035","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217778","29.3416","0.0018","6.3038","0.0004","7.0814","0.0004","90","","90","","90","","1309.8","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","StrontiumMOF","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0809","0.111","","","","","","1.146","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217779","11.2447","0.0002","8.0932","0.0001","30.0999","0.0005","90","","90","","90","","2739.26","0.07","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","BariumMOF","","","- C28 H16 Ba2 O13 -","- C28 H16 Ba2 O13 -","- C112 H64 Ba8 O52 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0219","0.0174","","","0.0555","0.0811","","","","","","1.37","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217780","14.0847","0.0004","5.9953","0.0002","19.3347","0.0006","90","","93.729","0.002","90","","1629.2","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O7.5 S Zn1.5 -","- C15 H12 O7.5 S Zn1.5 -","- C60 H48 O30 S4 Zn6 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0508","0.0459","","","0.1146","0.1167","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217781","14.1168","0.0002","6.0531","0.0001","19.3678","0.0003","90","","93.627","0.001","90","","1651.67","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O14 S2 Zn3 -","- C28 H18 O14 S2 Zn3 -","- C56 H36 O28 S4 Zn6 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.047","0.0301","","","0.0669","0.0731","","","","","","1.054","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217782","28.1637","0.0009","6.4411","0.0002","24.8679","0.0008","90","","115.445","0.002","90","","4073.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H74 Mg6 O43 S4 -","- C60 H74 Mg6 O43 S4 -","- C120 H148 Mg12 O86 S8 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.1118","0.0541","","","0.1468","0.1672","","","","","","1.037","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217783","10.161","0.0005","7.3197","0.0003","22.3295","0.001","90","","93.699","0.001","90","","1657.31","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Mn O7 S -","- C16 H13 Mn O7 S -","- C64 H52 Mn4 O28 S4 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.063","0.0572","","","0.1548","0.1573","","","","","","1.165","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217784","5.998","0.0002","11.8959","0.0004","13.0287","0.0007","112.118","0.003","102.502","0.003","99.816","0.002","807.5","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Mn O7 S -","- C14 H10 Mn O7 S -","- C28 H20 Mn2 O14 S2 -","2","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0601","0.0492","","","0.1241","0.1282","","","","","","1.082","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217785","5.951","0.0019","15.899","0.005","21.4","0.016","90","","90","","90","","2024.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe","Ezetimibe","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.1171","0.0561","","","0.1549","0.2013","","","","","","1.061","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217786","5.832","0.0002","15.752","0.0005","25.673","0.0013","90","","90","","90","","2358.47","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Imidazole","","","- C27 H25 F2 N3 O3 -","- C27 H25 F2 N3 O3 -","- C108 H100 F8 N12 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.095","0.06","","","0.1678","0.1994","","","","","","1.046","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217787","6.14","0.0002","17.077","0.0007","21.35","0.0012","90","","90","","90","","2238.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Formamide","Ezetimibe-Formamide","","- C25 H24 F2 N2 O4 -","- C25 H24 F2 N2 O4 -","- C100 H96 F8 N8 O16 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.0986","0.0551","","","0.1341","0.1599","","","","","","1.148","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217797","8.8785","0.0007","17.4501","0.0014","13.1922","0.0011","90","","101.292","0.002","90","","2004.3","0.3","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C32 H108 Cl2 F6 Ge14 N24 Ni4 O30 -","2","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0806","0.041","","","0.0687","0.0894","","","","","","1.032","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217798","8.829","0.003","16.632","0.005","20.933","0.006","90","","96.992","0.006","90","","3051","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H38 F2 Ge7 N7 Ni O15.5 -","- C11 H33 F2 Ge7 N7 Ni O15.5 -","- C44 H132 F8 Ge28 N28 Ni4 O62 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0947","0.0474","","","0.1007","0.1142","","","","","","0.9","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217799","8.8029","0.0018","16.671","0.003","21.293","0.004","90","","101.21","0.03","90","","3065.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H36 F2 Ge7 N7 Ni O16 -","- C11 H32 F2 Ge7 N7 Ni O16 -","- C44 H128 F8 Ge28 N28 Ni4 O64 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0955","0.0688","","","0.1765","0.1974","","","","","","1.173","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217800","8.8089","0.0018","22.436","0.005","31.193","0.006","90","","90","","90","","6165","2","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C22 H72 F6 Ge14 N14 Ni2 O31 -","- C18 H56 F6 Ge14 N12 Ni2 O29 -","- C72 H224 F24 Ge56 N48 Ni8 O116 -","4","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0355","0.0296","","","0.0774","0.0796","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217803","8.9979","0.0009","14.5904","0.0014","13.4092","0.0013","90","","113.863","0.006","90","","1609.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cd N4 O4 -","- C13 H18 Cd N4 O4 -","- C52 H72 Cd4 N16 O16 -","4","1","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0539","0.0466","","","0.1319","0.1379","","","","","","1.049","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217804","16.9674","0.0017","14.2074","0.0014","8.7538","0.0008","90","","90","","90","","2110.2","0.4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H28 Cd N4 O9 -","- C13 H28 Cd N4 O9 -","- C52 H112 Cd4 N16 O36 -","4","0.5","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0428","0.0268","","","0.0617","0.068","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217809","21.2969","0.0015","26.3582","0.0019","8.7744","0.0006","90","","90","","90","","4925.5","0.6","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C160 H168 Br8 Cd8 N32 O32 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0708","0.0438","","","0.1058","0.1146","","","","","","1.009","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217810","9.449","0.003","10.386","0.004","17.553","0.006","76.519","0.008","89.167","0.007","79.774","0.008","1647.9","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Br2 Cd2 N4 O9 -","- C29 H27 Br2 Cd2 N4 O9 -","- C58 H54 Br4 Cd4 N8 O18 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.1435","0.0728","","","0.1011","0.1255","","","","","","1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217811","8.7933","0.0007","17.7457","0.0016","14.8568","0.0012","90","","90","","90","","2318.3","0.3","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C80 H84 Br4 Cd4 N16 O16 -","4","0.5","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0498","0.029","","","0.063","0.0706","","","","","","1.005","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217812","17.051","0.002","11.4036","0.0014","19.722","0.002","90","","109.91","0.002","90","","3605.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Br Cd N2 O7 -","- C14 H18 Br Cd N2 O7 -","- C112 H144 Br8 Cd8 N16 O56 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0964","0.0613","","","0.1102","0.1259","","","","","","1.02","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217813","8.3536","0.0009","10.0782","0.001","11.2967","0.0012","74.969","0.002","74.612","0.002","68.425","0.001","838.73","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br Cd N2 O5 -","- C14 H14 Br Cd N2 O5 -","- C28 H28 Br2 Cd2 N4 O10 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0325","0.0293","","","0.1029","0.1104","","","","","","0.878","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217816","25.6565","0.0006","12.4636","0.0003","21.2198","0.0006","90","","105.91","0.002","90","","6525.6","0.3","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Cd2 N8 O15 -","- C78 H48 Cd2 N8 O12 -","- C312 H192 Cd8 N32 O48 -","4","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0785","0.044","","","0.0867","0.0964","","","","","","0.985","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217817","7.4683","0.0001","9.9602","0.0002","15.8627","0.0003","81.11","0.001","88.078","0.001","69.099","0.001","1088.78","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","1","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0395","0.0319","","","0.0835","0.0876","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217818","9.5251","0.0006","9.8837","0.0006","16.3942","0.0011","72.834","0.004","87.431","0.004","71.093","0.004","1392.88","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N3 Ni O9 -","- C30 H26 N3 Ni O9 -","- C60 H52 N6 Ni2 O18 -","2","1","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0566","0.0388","","","0.0936","0.1062","","","","","","1.062","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217819","9.3553","0.0002","24.7637","0.0004","11.6174","0.0002","90","","113.411","0.001","90","","2469.86","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Mn3 N6 O14 -","- C60 H42 Mn3 N6 O14 -","- C120 H84 Mn6 N12 O28 -","2","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0513","0.0344","","","0.0814","0.0881","","","","","","1.047","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217820","7.038","0.004","15.257","0.008","17.946","0.01","90","","90","","90","","1927","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C40 H48 Br24 Cd8 N8 -","8","1","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0932","0.0762","","","0.1745","0.1847","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217821","7.6903","0.0015","18.058","0.004","7.1118","0.0014","90","","90","","90","","987.6","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C20 H24 Br12 Cd4 N4 -","4","0.25","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0358","0.0283","","","0.061","0.063","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217822","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Senthil, K.; SIVAPERUMAN, KALAINATHAN; Kumar, A. Ruban","Effect of additives on the large size growth of 4-N, N-dimethylamino-4-N-methyl stilbazolium naphthalene-2-sulfonate (DSNS) single crystal:An efficient stilbazolium derivative NLO crystal with potential Terahertz Wave properties","CrystEngComm","2014","","","","","10.1039/C4CE01350F","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217852","7.1364","0.0004","14.89","0.0009","14.839","0.0007","90","","91.636","0.005","90","","1576.16","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O5 -","- C14 H17 Cl N4 O5 -","- C56 H68 Cl4 N16 O20 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.069","0.0484","","","0.097","0.109","","","","","","1.038","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217853","6.9766","0.0003","15.2461","0.0008","14.61","0.0007","90","","91.602","0.004","90","","1553.4","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N3 O6 -","- C14 H16 Cl N3 O6 -","- C56 H64 Cl4 N12 O24 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0966","0.0619","","","0.1481","0.1765","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217854","7.0625","0.0009","15.0679","0.0019","14.7835","0.0014","90","","90.563","0.009","90","","1573.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.25 Cl N3.25 O5.75 -","- C14 H16.63 Cl N3.63 O5.37 -","- C56 H66.52 Cl4 N14.52 O21.48 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0741","0.0554","","","0.1351","0.1457","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217855","7.0287","0.0005","15.0835","0.0011","14.7528","0.0011","90","","90.09","0.006","90","","1564.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.5 Cl N3.5 O5.5 -","- C14 H16.47 Cl N3.47 O5.53 -","- C56 H65.88 Cl4 N13.88 O22.12 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.082","0.0617","","","0.1524","0.1651","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217856","5.378","0.002","9.788","0.004","8.399","0.003","90","","101.676","0.004","90","","433","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C16 H34 N2 O4 -","2","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0522","0.0455","","","0.1245","0.1304","","","","","","1.09","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217857","17.382","0.004","10.705","0.002","9.608","0.002","90","","90","","90","","1787.8","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-Isopropyl-DL-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.1073","0.0408","","","0.0981","0.1292","","","","","","1.012","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217858","9.2948","0.0018","10.79","0.002","19.871","0.004","90","","90","","90","","1992.9","0.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-isopropyl-L-leucine","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0488","0.039","","","0.0868","0.0907","","","","","","1.077","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217859","10.75","0.002","9.407","0.002","11.079","0.003","90","","95.013","0.003","90","","1116.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-phenylalanine","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0555","0.038","","","0.086","0.0952","","","","","","1.028","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217860","5.766","0.003","12.082","0.005","16.559","0.007","90","","90","","90","","1153.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-L-valine","N-benzyl-S-2-amino-4-methylpropanoic acid","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","1.54178","CuKα","","0.1087","0.0663","","","0.1081","0.1229","","","","","","1.081","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217861","27.4601","0.0015","14.8337","0.0007","15.0974","0.0007","90","","112.024","0.007","90","","5700.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 N6 Ni2 O9 -","- C52 H32 N6 Ni2 O9 -","- C208 H128 N24 Ni8 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0882","0.0756","","","0.2419","0.2579","","","","","","1.1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217862","27.7567","0.0016","15.074","0.0005","15.1426","0.0007","90","","111.883","0.007","90","","5879.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Co2 N6 O9 -","- C52 H32 Co2 N6 O9 -","- C208 H128 Co8 N24 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0722","0.0596","","","0.2083","0.2201","","","","","","1.105","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217863","18.7063","0.0018","22.983","0.002","17.7139","0.0015","90","","105.866","0.002","90","","7325.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Cu N8 O8 -","- C26 H19 Cu N3 O5.5 -","- C208 H152 Cu8 N24 O44 -","8","1","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.1377","0.0811","","","0.227","0.247","","","","","","0.899","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217864","31.4162","0.0016","31.4162","0.0016","14.1226","0.0014","90","","90","","120","","12071.3","1.5","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H28.5 In N4.5 O13 -","- C14 H10.5 In N3.5 O8 -","- C252 H189 In18 N63 O144 -","18","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.05","0.0461","","","0.1256","0.1307","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217865","24.681","0.004","24.681","0.004","10.819","0.002","90","","90","","90","","6590.4","1.9","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H29 In N4 O12 -","- C13 H7 In N2 O8 -","- C104 H56 In8 N16 O64 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0753","0.0702","","","0.1936","0.197","","","","","","1.083","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217866","27.59","0.003","27.59","0.003","27.59","0.003","90","","90","","90","","21002","4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C18 H26 Cl In N4 O9 -","- C12 H6 Cl In N2 O4 -","- C288 H144 Cl24 In24 N48 O96 -","24","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0677","0.051","","","0.1656","0.1717","","","","","","1.169","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217867","9.139","0.0011","9.306","0.001","9.7714","0.0012","85.131","0.01","65.297","0.013","71.185","0.011","713.44","0.17","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 N4 O7 -","- C12 H16 N4 O7 -","- C24 H32 N8 O14 -","2","2","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0609","0.058","","","0.1558","0.1595","","","","","","1.059","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217868","21.3368","0.0009","17.052","0.0005","6.7877","0.0003","90","","93.674","0.004","90","","2464.53","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O8 -","- C22 H30 N8 O8 -","- C88 H120 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.0906","0.0721","","","0.1444","0.1504","","","","","","1.019","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217869","7.6414","0.0006","15.7487","0.0009","39.13","0.003","90","","90","","90","","4709","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C168 H208 N64 O64 -","8","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0857","0.0503","","","0.1264","0.1469","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217870","8.5926","0.0003","18.4382","0.0007","14.9164","0.0005","90","","92.437","0.003","90","","2361.1","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C84 H104 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0812","0.0646","","","0.1674","0.1798","","","","","","1.05","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217871","7.9317","0.0006","8.2797","0.0002","20.4795","0.0015","89.975","0.006","83.335","0.006","61.808","0.006","1175.1","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C42 H52 N16 O16 -","2","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0704","0.0651","","","0.1626","0.1662","","","","","","1.126","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217872","44.164","0.003","3.94516","0.00019","27.676","0.003","90","","96.236","0.008","90","","4793.6","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H55 N17 O16 -","- C44 H55 N17 O16 -","- C176 H220 N68 O64 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.1003","0.0951","","","0.2474","0.2544","","","","","","1.037","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217892","9.426","0.003","18.856","0.005","6.887","0.001","90","","90","","119.97","0.01","1060.4","0.5","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Pentacalcium tris(phosphate(V)) hydroxide","","- Ca5 H O13 P3 -","- Ca20 O52 P12 -","- Ca20 O52 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217893","19.692","0.004","9.523","0.002","6.835","0.002","90.15","0.02","92.54","0.02","108.65","0.01","1213.1","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","Octacalcium bis(hydrogenphosphate) tetrakis(phosphate) pentahydrate","","- Ca8 H12 O29 P6 -","- Ca16 H24 O58 P12 -","- Ca16 H24 O58 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217894","9.4232","0.0002","9.4232","0.0002","6.8833","0.0002","90","","90","","120","","529.33","0.02","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Calcium phosphate(V) hydroxide (10.08/5.9/2.32)","","- Ca10.084 H3.39 O27.15 P5.94 -","- Ca10.084 H2.556 O27.148 P5.94 -","- Ca10.084 H2.556 O27.148 P5.94 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0604","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217975","26.73","0.04","6.863","0.008","13.068","0.018","90","","110.22","0.07","90","","2250","5","293","2","293","2","4800000","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1416","0.0938","","","0.1526","0.1784","","","","","","1.126","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217976","27.82","0.08","7.38","0.02","13.96","0.04","90","","109.73","0.16","90","","2698","13","293","2","293","2","100000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1696","0.098","","","0.2153","0.2795","","","","","","1.096","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217977","27.99","0.04","7.325","0.01","13.88","0.02","90","","110.29","0.08","90","","2669","7","293","2","293","2","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1813","0.1238","","","0.2272","0.2733","","","","","","1.092","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217978","27.691","0.016","7.225","0.003","13.704","0.004","90","","110","0.03","90","","2576","2","293","2","293","","1400000","","1400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1954","0.1138","","","0.2252","0.2981","","","","","","1.123","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217979","27.38","0.008","7.0724","0.0014","13.445","0.002","90","","110.187","0.015","90","","2443.6","1","293","2","293.15","","3000000","","3000000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1795","0.1115","","","0.2177","0.2822","","","","","","1.114","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217980","26.91","0.04","6.962","0.008","13.249","0.018","90","","110.3","0.07","90","","2328","5","293","2","293","2","3800000","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1471","0.0969","","","0.1691","0.203","","","","","","1.004","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217981","24.3","0.13","6.83","0.03","13.37","0.07","90","","92.3","0.3","90","","2217","19","293","2","293","","9400000","","9400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1391","0.1005","","","0.2415","0.2729","","","","","","1.121","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217982","29.46","0.04","7.628","0.009","14.51","0.017","90","","111.334","0.018","90","","3037","7","293","","293","","100","","100","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1311","0.0792","","","0.1522","0.1904","","","","","","1.156","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217983","29.22","0.04","7.578","0.008","14.434","0.018","90","","111.13","0.02","90","","2981","6","293","2","293","","200000","","200000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.183","0.0909","","","0.2416","0.349","","","","","","1.029","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217984","28.41","0.03","7.339","0.005","14.008","0.013","90","","111.53","0.02","90","","2717","4","293","2","293","","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1468","0.0838","","","0.2366","0.3289","","","","","","1.179","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217985","27.88","0.03","7.166","0.006","13.692","0.013","90","","111.678","0.015","90","","2542","4","293","2","293","","2700000","","2700000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1132","0.083","","","0.2495","0.3198","","","","","","1.286","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217986","25.79","0.1","7.17","0.03","14.06","0.05","90","","92.24","0.08","90","","2598","17","293","2","293","","4100000","","4100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.178","0.1146","","","0.2847","0.3481","","","","","","1.106","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217987","24.773","0.01","6.98","0.03","13.67","0.05","90","","92.25","0.11","90","","2362","13","293","2","293","","5400000","","5400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1576","0.1077","","","0.2252","0.2628","","","","","","1.046","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217988","24.73","0.06","6.956","0.013","13.63","0.03","90","","92.59","0.06","90","","2342","9","293","2","293","","6300000","","6300000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1659","0.1072","","","0.234","0.2808","","","","","","1.118","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217989","24.56","0.16","6.89","0.04","13.52","0.08","90","","92.65","0.18","90","","2285","2","293","2","293","","8000000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1591","0.103","","","0.2284","0.2652","","","","","","1.065","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7218021","20.184","0.004","20.184","0.004","13.719","0.003","90","","90","","90","","5589","2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Co N2 O5 -","- C32 H32 Co N2 O5 -","- C256 H256 Co8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0339","0.0334","","","0.0886","0.0891","","","","","","0.852","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218037","22.9973","0.0004","22.9973","0.0004","22.5955","0.0007","90","","90","","90","","11950.2","0.5","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C102 H131 Cd3 N2 O47.5 -","- C102 H104 Cd3 N2 O47.5 -","- C408 H416 Cd12 N8 O190 -","4","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2048","0.1146","","","0.2694","0.3376","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218038","17.6923","0.0007","15.6746","0.0007","42.594","0.0011","90","","90","","90","","11812.2","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C96 H96 O36 Zn4 -","- C96 H88 O36 Zn4 -","- C384 H352 O144 Zn16 -","4","1","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","1.54184","CuKα","","0.1247","0.0998","","","0.2696","0.2953","","","","","","1.011","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218039","11.8811","0.0006","20.9902","0.0014","21.3711","0.0011","79.558","0.005","81.534","0.004","86.36","0.005","5180.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C206 H250 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","1","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2061","0.0962","","","0.2144","0.2808","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218040","12.2409","0.0006","13.5072","0.0007","20.2897","0.0014","103.942","0.01","100.864","0.008","93.222","0.005","3179.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H87 N O18 Zn2 -","- C62 H65 N O18 Zn2 -","- C124 H130 N2 O36 Zn4 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.0643","0.0467","","","0.1191","0.132","","","","","","1.029","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218041","11.969","0.001","14.298","0.002","19.673","0.0013","88.059","0.004","89.676","0.006","83.535","0.005","3343.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H194 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","1","0.5","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71069","MoKα","","0.1189","0.0737","","","0.1698","0.1934","","","","","","1.12","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218042","11.9388","0.0014","15.036","0.002","20.9814","0.0012","84.88","0.006","80.637","0.004","71.171","0.003","3514.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H94 Cd2 N2 O20 -","- C66 H72 Cd2 N2 O20 -","- C132 H144 Cd4 N4 O40 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.1333","0.0871","","","0.1744","0.1965","","","","","","1.114","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218049","33.174","0.007","5.5878","0.0011","20.516","0.004","90","","127.93","0.03","90","","2999.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C112 H128 N16 O32 P8 Zn8 -","8","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.0896","0.0502","","","0.1083","0.1562","","","","","","1.144","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218050","11.496","0.002","13.665","0.003","11.051","0.002","90","","116.53","0.03","90","","1553.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C56 H64 N8 O16 P4 Zn4 -","4","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.062","0.0544","","","0.164","0.1681","","","","","","1.139","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218051","4.0513","0.0009","11.154","0.002","12.902","0.003","104.617","0.011","94.207","0.011","94.195","0.012","560.1","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","1,5-dimethyl-3-(p-ethynylphenyl)-6-oxoverdazyl","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0959","0.0537","","","0.1406","0.1663","","","","","","0.993","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218052","3.994","0.0004","11.1412","0.0009","12.8857","0.0011","104.875","0.004","94.557","0.004","93.967","0.004","550.03","0.09","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0763","0.0502","","","0.1192","0.134","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218053","3.9458","0.0002","11.1337","0.0004","12.8406","0.0005","105.091","0.002","95.1","0.002","93.601","0.002","540.32","0.04","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0609","0.047","","","0.1207","0.1299","","","","","","1.014","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218054","9.536","0.0003","12.7918","0.0005","13.7773","0.0005","73.402","0.003","80.926","0.003","68.325","0.003","1494.11","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cd Cl2 N10 -","- C26 H30 Cd Cl2 N10 -","- C52 H60 Cd2 Cl4 N20 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0334","0.0295","","","0.0765","0.0793","","","","","","1.017","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218055","9.4788","0.0004","10.2419","0.0005","10.5173","0.0002","95.716","0.003","99.798","0.003","109.484","0.004","934.99","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cd N7 S2 -","- C15 H15 Cd N7 S2 -","- C30 H30 Cd2 N14 S4 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0364","0.0351","","","0.0959","0.0977","","","","","","1.039","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218056","12.46876","0.00011","15.99954","0.00013","19.46996","0.00019","90","","103.059","0.0009","90","","3783.7","0.06","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cd2 Cl2 N16 O2 -","- C28 H38 Cd2 Cl2 N16 O2 -","- C112 H152 Cd8 Cl8 N64 O8 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.5418","CuKα","","0.0305","0.028","","","0.076","0.0783","","","","","","1.045","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218057","9.3734","0.0005","18.5736","0.0005","9.2232","0.0003","90","","107.887","0.005","90","","1528.12","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cd Cl2 N5 -","- C13 H15 Cd Cl2 N5 -","- C52 H60 Cd4 Cl8 N20 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0321","0.0279","","","0.0725","0.0761","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218058","9.555","0.001","9.8491","0.0012","9.885","0.0009","72.948","0.01","68.962","0.009","86.711","0.01","828.88","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cd N11 -","- C13 H15 Cd N11 -","- C26 H30 Cd2 N22 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0249","0.0232","","","0.0584","0.0594","","","","","","1.053","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218059","26.5918","0.0009","13.5595","0.0005","18.1128","0.0006","90","","94.582","0.003","90","","6510.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Cd N12 O7 -","- C27 H34 Cd N12 O7 -","- C216 H272 Cd8 N96 O56 -","8","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","0.71073","MoKα","","0.0688","0.0483","","","0.1063","0.1193","","","","","","1.05","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218060","14.4906","0.0004","13.7504","0.0005","18.9091","0.0007","90","","95.28","0.003","90","","3751.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cu2 Mo8 N16 O26 -","- C60 H62 Cu2 Mo8 N16 O26 -","- C120 H124 Cu4 Mo16 N32 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.08","0.0422","","","0.0757","0.0887","","","","","","0.959","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218061","17.359","0.0006","12.5591","0.0004","25.123","0.0007","90","","90","","90","","5477.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H40 Cu2 Mo6 N12 O19 -","- C48 H40 Cu2 Mo6 N12 O19 -","- C192 H160 Cu8 Mo24 N48 O76 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.082","0.0438","","","0.0716","0.0861","","","","","","0.987","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218062","10.4332","0.0002","15.1148","0.0003","20.2219","0.0005","90","","109.501","0.002","90","","3005.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 Mo8 N12 O28 -","- C48 H40 Cu2 Mo8 N12 O26 -","- C96 H80 Cu4 Mo16 N24 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.0354","0.0259","","","0.0604","0.0658","","","","","","1.022","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218063","15.307","0.003","21.194","0.004","15.805","0.003","90","","110.53","0.03","90","","4801.8","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu4 Mo8 N24 O29 -","- C80 H64 Cu4 Mo8 N24 O29 -","- C160 H128 Cu8 Mo16 N48 O58 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.063","0.0417","","","0.0835","0.091","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218064","14.8527","0.0006","15.7723","0.0005","17.4004","0.0006","72.343","0.003","66.337","0.004","63.668","0.003","3306.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H96 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1508","0.0721","","","0.1292","0.1706","","","","","","1.008","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218065","22.82","0.005","14.239","0.003","25.933","0.005","90","","91.55","0.03","90","","8423","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H62 Cu4 Mo8 N18 O27 -","- C72 H60 Cu4 Mo8 N18 O27 -","- C288 H240 Cu16 Mo32 N72 O108 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.131","0.0608","","","0.1101","0.1326","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218066","13.7656","0.0006","14.8306","0.0006","16.0531","0.0005","117.47","0.003","109.431","0.003","91.167","0.003","2682.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1123","0.0586","","","0.1202","0.1471","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218067","12.5946","0.0003","12.5946","0.0003","8.2087","0.0003","90","","90","","120","","1127.65","0.06","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0324","0.0276","","","0.0845","0.0921","","","","","","1.087","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218068","7.309","0.0002","7.309","0.0002","8.1701","0.0003","90","","90","","120","","377.98","0.02","300","2","300","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C6 H14 N2 O12 Zn2 -","2","0.166667","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0183","0.018","","","0.0487","0.0492","","","","","","1.074","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218069","8.6456","0.0016","12.31","0.002","22.758","0.004","98.677","0.002","92.478","0.002","104.114","0.002","2314","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Br2 -","- C56 H58 Br2 -","- C112 H116 Br4 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.117","0.0781","","","0.1845","0.2075","","","","","","1.064","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218070","11.1014","0.0009","11.6074","0.0009","17.9752","0.0014","101.916","0.001","105.051","0.001","92.108","0.001","2178.6","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H60 -","- C56 H60 -","- C112 H120 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.05","0.042","","","0.1075","0.1136","","","","","","1.041","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218071","25.721","0.005","5.527","0.005","11.027","0.005","90","0.005","110.517","0.005","90","0.005","1468.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H26 Br2 -","- C40 H26 Br2 -","- C80 H52 Br4 -","2","0.5","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71069","MoKα","","0.0665","0.0531","","","0.1469","0.1589","","","","","","0.829","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218079","16.417","0.002","16.417","0.002","6.598","0.002","90","","90","","90","","1778.3","0.6","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H40 Cu N5 O7 -","- C28 H32 Cu N5 O7 -","- C56 H64 Cu2 N10 O14 -","2","0.25","","Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses","CrystEngComm","2014","16","45","10410","","10.1039/C4CE01404A","","","0.71073","MoKα","","0.1116","0.0482","","","0.0823","0.0987","","","","","","1.008","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218088","9.0885","0.0019","10.008","0.002","10.316","0.002","84.68","0.003","83.399","0.003","66.85","0.003","855.9","0.3","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0923","0.0841","","","0.1743","0.1811","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218089","10.9284","0.0012","13.1429","0.0014","23.209","0.002","90","","90","","90","","3333.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag N5 O8 -","- C32 H38 Ag N5 O8 -","- C128 H152 Ag4 N20 O32 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.096","0.0594","","","0.1467","0.1686","","","","","","1.073","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218090","9.1852","0.0015","10.2742","0.0017","10.3527","0.0017","84.69","0.002","83.518","0.002","65.526","0.002","882.4","0.3","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0864","0.0748","","","0.1597","0.1666","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218091","10.9131","0.0016","13.0435","0.0019","22.908","0.004","90","","90","","90","","3260.8","0.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag Cl N4 O9 -","- C32 H38 Ag Cl N4 O9 -","- C128 H152 Ag4 Cl4 N16 O36 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0984","0.0748","","","0.156","0.1693","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218092","13.6251","0.0014","14.7386","0.0015","16.4916","0.0017","90","","95.699","0.002","90","","3295.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Cu2 Mo8 N12 O32 -","- C48 H46 Cu2 Mo8 N12 O32 -","- C96 H92 Cu4 Mo16 N24 O64 -","2","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Supramolecular interactions mediated conformational modulation of flexible linker leading to the isolation of a metallo-macrocycle in a polyoxometalate matrix: Hirshfeld surfaces and 2D fingerprint plots","CrystEngComm","2014","16","44","10300","","10.1039/C4CE01714E","","","0.71073","MoKα","","0.0914","0.0663","","","0.1372","0.1472","","","","","","1.099","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218093","21.8268","0.0005","3.9863","0.0001","7.1628","0.0002","90","","90","","90","","623.22","0.03","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H Ag N2 O Pb S -","- C2 H Ag N2 O Pb S -","- C8 H4 Ag4 N8 O4 Pb4 S4 -","4","0.5","","Diana, Eliano; Gervasio, Giuliana; Priola, Emanuele; Bonometti, Elisabetta","A new heterometallic multiligand 3D coordination polymer: synthesis and structure of [Pb(OH)]n[Ag(SCN)(CN)]n","CrystEngComm","2014","16","43","10040","","10.1039/C4CE01424C","","","0.71073","MoKα","","0.0302","0.0245","","","0.0578","0.0608","","","","","","1.092","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218094","8.23","0.0002","11.8142","0.0003","17.1253","0.0003","90","","90","","90","","1665.11","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0342","0.0288","","","0.0676","0.0699","","","","","","1.047","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218095","9.0274","0.0002","20.4427","0.0004","14.5383","0.0003","90","","99.274","0.001","90","","2647.89","0.1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C112 H112 Br8 O24 -","4","2","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.056","0.042","","","0.0962","0.1021","","","","","","1.028","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218096","9.9622","0.0003","8.3317","0.0002","19.9628","0.0005","90","","98.208","0.001","90","","1639.98","0.08","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0389","0.0304","","","0.0724","0.0758","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218097","9.8523","0.0003","10.1793","0.0003","13.922","0.0003","70.723","0.002","89.926","0.002","82.549","0.002","1305.53","0.06","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C56 H56 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0499","0.0357","","","0.0804","0.0851","","","","","","1.062","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218098","8.8364","0.0002","10.5814","0.0003","14.7993","0.0003","108.781","0.001","94.787","0.001","97.419","0.001","1287.54","0.05","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br2 O6 -","- C28 H24 Br2 O6 -","- C56 H48 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0514","0.0359","","","0.0815","0.0872","","","","","","1.039","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218117","9.3677","0.0015","11.2409","0.0017","14.585","0.002","72.567","0.002","73.543","0.002","78.799","0.002","1395.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0873","0.0495","","","0.1026","0.1186","","","","","","0.803","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218118","9.366","0.003","14.783","0.005","15.276","0.005","113.609","0.005","100.615","0.006","92.18","0.005","1890.1","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 O2 S2 -","- C42 H56 N2 O2 S2 -","- C84 H112 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1171","0.0583","","","0.0987","0.1192","","","","","","0.867","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218119","10.636","0.003","9.486","0.003","15.273","0.004","90","","104.878","0.005","90","","1489.3","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C68 H80 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1477","0.051","","","0.0614","0.0805","","","","","","0.705","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218120","11.1","0.0014","9.2665","0.0011","16.096","0.002","90","","108.132","0.002","90","","1573.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C72 H88 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0563","0.0404","","","0.0832","0.0892","","","","","","0.956","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218121","9.3276","0.0014","13.142","0.0019","15.226","0.002","108.135","0.003","100.865","0.003","98.281","0.002","1700.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C76 H96 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1371","0.0515","","","0.0827","0.1129","","","","","","0.69","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218122","9.3051","0.0006","14.0599","0.0009","14.9553","0.0009","80.646","0.001","75.132","0.001","72.905","0.001","1799.5","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N2 O2 S2 -","- C40 H52 N2 O2 S2 -","- C80 H104 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0779","0.0534","","","0.1254","0.1424","","","","","","0.982","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218123","7.8143","0.0005","9.4382","0.0006","15.2024","0.001","77.742","0.001","76.215","0.001","66.063","0.001","986.79","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0711","0.0448","","","0.0899","0.1209","","","","","","0.916","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218124","7.7725","0.0007","9.4508","0.0009","16.2932","0.0016","90.218","0.002","97.616","0.002","113.987","0.002","1081.63","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.068","0.0476","","","0.1011","0.1255","","","","","","1.021","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218125","7.772","0.002","9.476","0.003","17.514","0.005","89.954","0.005","89.316","0.006","66.055","0.006","1178.8","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.2059","0.0801","","","0.1493","0.2262","","","","","","0.861","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218126","7.7947","0.001","9.4518","0.0012","18.843","0.003","90.701","0.002","94.869","0.003","113.934","0.002","1262.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.126","0.0491","","","0.0907","0.1467","","","","","","0.749","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218127","11.4551","0.0001","4.95346","0.00005","18.1676","0.0002","90","","90","","90","","1030.87","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiGeO2(OH)2(NO3)","bisnuth germanium oxyhydroxy nitrate","","- Bi Ge N O7 -","- Bi Ge H N O7 -","- Bi8 Ge8 H8 N8 O56 -","8","1","","Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio","Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)","CrystEngComm","2014","16","43","10080","","10.1039/C4CE01355G","powder diffraction","","1.54059","CuKα~1~","","0.00813","","","","","","0.00768","0.01331","1.9828","","","","","","","has coordinates","190823","2020-10-21","18:00:00",""
"7218128","9.4633","0.0004","12.6496","0.0004","10.8834","0.0004","90","","104.267","0.004","90","","1262.64","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-xylylenebis(thioacetic) acid","","- C12 H14 O4 S2 -","- C12 H14 O4 S2 -","- C48 H56 O16 S8 -","4","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0341","0.032","","","0.0817","0.0841","","","","","","1.153","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218129","17.6366","0.0018","4.8355","0.0005","15.593","0.0017","90","","96.069","0.01","90","","1322.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N6 O4 S2 -","- C24 H32 N6 O4 S2 -","- C48 H64 N12 O8 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0721","0.0579","","","0.1489","0.1565","","","","","","1.041","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218130","20.968","0.003","4.7107","0.0005","14.4013","0.0016","90","","95.307","0.01","90","","1416.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 O6 S2 -","- C24 H36 N6 O6 S2 -","- C48 H72 N12 O12 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0989","0.0651","","","0.1371","0.1534","","","","","","1.105","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218131","32.932","0.007","7.9668","0.0016","15.275","0.003","90","","90","","90","","4007.6","1.4","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H23 N3 O4 S2 -","- C18 H23 N3 O4 S2 -","- C144 H184 N24 O32 S16 -","8","","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0576","0.0351","","","0.0758","0.0806","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218133","5.5044","0.0007","10.0817","0.0008","10.2203","0.0013","90","","93.142","0.01","90","","566.31","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0549","0.0376","","","0.0971","0.1025","","","","","","1.032","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218134","10.3838","0.0005","5.7184","0.0003","11.4118","0.0007","90","","90","","90","","677.62","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N,N-dimethylglycine","2-(Dimethylamino)acetate perhydrate","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0671","0.0415","","","0.0806","0.0915","","","","","","1.058","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218135","12.332","0.0004","9.9903","0.0003","5.80218","0.00016","90","","90","","90","","714.83","0.04","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate perhydrate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0343","0.0308","","","0.0777","0.08","","","","","","1.043","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218148","7.7677","0.0011","13.5311","0.0018","7.9843","0.0011","90","","106.432","0.006","90","","804.92","0.19","150.15","","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluoronaphthalene","","- C10 H2 F6 -","- C10 H2 F6 -","- C40 H8 F24 -","4","1","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0686","0.0403","","","0.107","0.1294","","","","","","1.042","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218149","8.5748","0.0017","3.6622","0.0007","12.423","0.003","90","","93.08","0.03","90","","389.55","0.14","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentafluoronaphthalene","","- C10 H3 F5 -","- C10 H3 F5 -","- C20 H6 F10 -","2","0.5","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0967","0.082","","","0.2151","0.2234","","","","","","1.102","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218156","11.4883","0.0006","9.6632","0.0005","16.1106","0.0008","90","","101.252","0.002","90","","1754.12","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 N6 O10 S2 -","- C34 H30 Cl2 N6 O10 S2 -","- C68 H60 Cl4 N12 O20 S4 -","2","0.5","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0818","0.0427","","0.1082","0.0465","0.0465","","","","","","1.0761","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218157","9.7483","0.0004","10.4805","0.0004","14.1432","0.0005","96.253","0.002","93.883","0.002","114.448","0.002","1297.39","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl N4 O6 S2 -","- C24 H25 Cl N4 O6 S2 -","- C48 H50 Cl2 N8 O12 S4 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0651","0.0446","","0.0753","0.0452","0.0452","","","","","","1.1186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218158","7.3552","0.0009","9.3457","0.0011","18.124","0.002","80.525","0.006","82.376","0.006","75.758","0.006","1185.5","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N4 O6 S -","- C23 H23 Cl N4 O6 S -","- C46 H46 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0604","0.0417","","0.0601","0.0447","0.0447","","","","","","1.0771","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218159","6.751","0.0005","9.5719","0.0006","18.6178","0.0013","84.977","0.004","89.783","0.004","73.488","0.004","1148.76","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N4 O6 S -","- C23 H22 Cl N4 O6 S -","- C46 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0882","0.0673","","0.0913","0.064","0.064","","","","","","0.9645","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218160","7.3972","0.0007","9.3373","0.0008","18.1141","0.0016","80.504","0.004","82.039","0.004","75.173","0.004","1186.81","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O6 S -","- C24 H24 Cl N4 O6 S -","- C48 H48 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.06","0.0454","","0.0684","0.0482","0.0423","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218161","6.9302","0.0004","9.9356","0.0006","18.6298","0.0011","83.633","0.003","89.624","0.003","72.794","0.003","1217.34","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N4 O6 S -","- C25 H22 Cl N4 O6 S -","- C50 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0543","0.0436","","0.0477","0.0366","0.0366","","","","","","1.0981","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218162","6.3978","0.0004","21.3089","0.0014","13.6408","0.001","90","","98.903","0.002","90","","1837.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cd N5 O10 S -","- C36 H31 Cd N5 O10 S -","- C72 H62 Cd2 N10 O20 S2 -","2","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0579","0.0436","","","0.1035","0.119","","","","","","1.033","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218163","12.9722","0.0007","17.3507","0.001","14.0501","0.0008","90","","110.423","0.001","90","","2963.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Cd2 N10 O14 -","- C60 H54 Cd2 N10 O14 -","- C120 H108 Cd4 N20 O28 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0476","0.0329","","","0.09","0.1086","","","","","","1.065","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218164","10.1545","0.0006","11.6885","0.0007","12.5788","0.0007","83.2","0.001","88.499","0.001","69.273","0.001","1386.34","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0412","0.0346","","","0.0957","0.1078","","","","","","1.112","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218165","14.6526","0.0012","10.0981","0.0009","16.1913","0.0013","90","","90","","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H20 Cd N4 O6 -","- C27 H20 Cd N4 O6 -","- C108 H80 Cd4 N16 O24 -","4","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0611","0.0365","","","0.0618","0.0691","","","","","","1.01","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218166","11.6078","0.0014","12.295","0.0014","20.705","0.002","90","","101.496","0.002","90","","2895.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Cd2 N8 O12 -","- C66 H48 Cd2 N8 O12 -","- C132 H96 Cd4 N16 O24 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0631","0.0367","","","0.0896","0.1147","","","","","","1.104","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218167","12.0856","0.0013","13.6274","0.0015","11.4059","0.0013","90","","91.489","0.002","90","","1877.9","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N4 O6 P2 Pt -","- C40 H38 N4 O6 P2 Pt -","- C80 H76 N8 O12 P4 Pt2 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0366","0.0225","","","0.0576","0.0645","","","","","","1.026","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218168","13.151","0.005","13.187","0.005","13.28","0.005","91.426","0.006","110.824","0.005","107.172","0.005","2034.8","1.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","1","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.1268","0.0806","","","0.227","0.246","","","","","","1.075","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218169","16.128","0.004","18.158","0.005","13.503","0.003","90","","113.57","0.003","90","","3624.5","1.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 O6 P2 Pd -","- C40 H38 N4 O6 P2 Pd -","- C160 H152 N16 O24 P8 Pd4 -","4","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0932","0.0442","","","0.0793","0.094","","","","","","0.979","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218170","12.4567","0.0016","11.7829","0.0015","12.1147","0.0016","90","","91.889","0.002","90","","1777.2","0.4","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N4 O6 P2 -","- C40 H38 Cd N4 O6 P2 -","- C80 H76 Cd2 N8 O12 P4 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0461","0.0333","","","0.0768","0.0827","","","","","","0.967","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218177","10.4858","0.0003","18.8309","0.0006","4.813","0.0002","90","","90","","90","","950.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0386","0.0319","","","0.0731","0.0784","","","","","","1.08","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218178","18.5081","0.0005","4.823","0.0001","10.9635","0.0004","90","","90","","90","","978.65","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0536","0.0347","","","0.058","0.0677","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218179","8.093","0.005","9.502","0.005","12.751","0.005","82.472","0.005","82.927","0.005","86.586","0.005","963.8","0.9","295","","295","","","","","","","","","7","P -1","-P 1","2","","Tetrafluoro-1,4-diiodobenzene bis(N-(4-acetophenyl)-2-oxy-1-naphthaldiminato)-copper(ii)","","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav","Synthesis of an extended halogen-bonded metal‒organic structure in a one-pot mechanochemical reaction that combines covalent bonding, coordination chemistry and supramolecular synthesis","CrystEngComm","2014","16","44","10169","","10.1039/C4CE01815J","","","0.71073","MoKα","","0.058","0.0363","","","0.0879","0.0938","","","","","","0.985","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218180","14.052","0.003","10.029","0.003","18.994","0.005","90","","101.069","0.003","90","","2627","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C24 H24 Br2 F5 N5 O3 -","- C24 H24 Br2 F5 N5 O3 -","- C96 H96 Br8 F20 N20 O12 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.1993","0.0693","","","0.148","0.1801","","","","","","0.925","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218181","19.4138","0.0015","17.3697","0.0014","10.4512","0.0008","90","","90","","90","","3524.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","4:morpholine 1/1 solvate","","","- C32 H41 Br2 F4 N7 O5 -","- C32 H41 Br2 F4 N7 O5 -","- C128 H164 Br8 F16 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0906","0.0487","","","0.0879","0.1009","","","","","","1.016","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218182","19.6801","0.0013","17.4108","0.0011","10.6952","0.0007","90","","90","","90","","3664.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","5:morpholine 1/1 solvate","","","- C32 H41 F4 I2 N7 O5 -","- C32 H41 F4 I2 N7 O5 -","- C128 H164 F16 I8 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0541","0.0386","","","0.069","0.0739","","","","","","1.029","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218183","12.0014","0.0007","7.104","0.0004","3.538","0.0002","90","","90","","90","","301.64","0.03","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C8 H8 Cl4 Co2 N4 -","2","0.125","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0309","0.0261","","","0.0634","0.0654","","","","","","1.14","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218184","7.1489","0.0006","7.1489","0.0006","10.6653","0.0017","90","","90","","90","","545.07","0.11","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0509","0.0358","","","0.0763","0.0832","","","","","","1.068","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218185","7.1449","0.0011","7.1449","0.0011","10.633","0.002","90","","90","","90","","542.81","0.16","180","2","180","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0879","0.042","","","0.0696","0.0834","","","","","","0.993","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218186","10.4759","0.0011","33.017","0.003","28.548","0.003","90","","97.288","0.001","90","","9794.5","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H77 Cd2 N11 O15 -","- C83 H77 Cd2 N11 O15 -","- C332 H308 Cd8 N44 O60 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1055","0.0617","","","0.1513","0.1602","","","","","","1.01","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218187","11.853","0.006","12.385","0.006","21.013","0.01","90","","99.597","0.007","90","","3042","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O6 Zn -","- C36 H28 N2 O6 Zn -","- C144 H112 N8 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1152","0.0462","","","0.0662","0.0751","","","","","","1.063","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218188","23.362","0.002","18.6642","0.0016","14.8125","0.0013","90","","90","","90","","6458.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H70 Cd N4 O18 -","- C72 H70 Cd N4 O18 -","- C288 H280 Cd4 N16 O72 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1613","0.0659","","","0.1488","0.1852","","","","","","0.847","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218189","13.1085","0.0012","16.6562","0.0016","13.6422","0.0014","90","","92.185","0.001","90","","2976.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N4 O6 Zn -","- C33 H28 N4 O6 Zn -","- C132 H112 N16 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1013","0.0686","","","0.1958","0.2213","","","","","","1.023","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218190","11.0849","0.0013","11.6224","0.0014","13.0516","0.0015","71.141","0.001","86.977","0.002","69.796","0.001","1490","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1181","0.0556","","","0.0863","0.1031","","","","","","0.838","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218191","9.3381","0.0005","25.7913","0.0012","15.3127","0.0006","90","","95.891","0.004","90","","3668.5","0.3","121.3","0.1","121.3","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H70 Cd3 Cl2 N12 O12 -","- C76 H70 Cd3 Cl2 N12 O12 -","- C152 H140 Cd6 Cl4 N24 O24 -","2","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.0786","0.0597","","","0.1247","0.1343","","","","","","1.132","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218192","40.431","0.003","18.1158","0.001","35.3525","0.0018","90","","123.886","0.008","90","","21496","3","104.3","0.8","104.3","0.8","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H92 N20 O32 Zn6 -","- C123 H92 N20 O32 Zn6 -","- C492 H368 N80 O128 Zn24 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","1.54184","CuKα","","0.1303","0.0792","","","0.2136","0.2369","","","","","","1.015","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218193","36.873","0.003","9.3152","0.0009","10.9288","0.0011","90","","93.643","0.001","90","","3746.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Cd2 N12 O8 -","- C33 H36 Cd2 N12 O8 -","- C132 H144 Cd8 N48 O32 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.125","0.1045","","","0.2754","0.2856","","","","","","1.115","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218194","7.9572","0.0006","15.2139","0.0011","24.9697","0.0017","90","","90.666","0.005","90","","3022.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O9 Zn2 -","- C30 H29 N3 O9 Zn2 -","- C120 H116 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.062","0.0528","","","0.1428","0.1487","","","","","","1.097","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218195","7.9713","0.001","15.4036","0.0016","25.046","0.003","90","","90.562","0.01","90","","3075.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N3 O9 Zn2 -","- C31 H31 N3 O9 Zn2 -","- C124 H124 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0782","0.0574","","","0.1438","0.155","","","","","","1.073","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218196","8.1511","0.0006","16.0769","0.0012","24.7374","0.0018","90","","90.796","0.003","90","","3241.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N3 O9 Zn2 -","- C32 H33 N3 O9 Zn2 -","- C128 H132 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0981","0.1007","","","","","","1.062","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218197","19.347","0.0019","11.084","0.0013","10.8074","0.001","90","","92.93","0.007","90","","2314.5","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0417","0.0349","","","0.0855","0.0893","","","","","","1.035","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218198","15.1693","0.0008","17.4457","0.001","17.6212","0.0016","104.114","0.004","112.607","0.004","109.132","0.003","3683.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0772","0.0594","","","0.1704","0.1876","","","","","","1.035","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218199","10.7384","0.0005","11.181","0.0006","13.7983","0.0007","91.221","0.003","103.627","0.003","94.827","0.003","1602.91","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0567","0.0444","","","0.1151","0.1241","","","","","","1.023","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218200","14.2398","0.0007","14.7602","0.0007","15.7924","0.0008","89.058","0.002","66.11","0.002","87.738","0.002","3032.5","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H74 N6 O10 Zn2 -","- C66 H74 N6 O10 Zn2 -","- C132 H148 N12 O20 Zn4 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0515","0.0443","","","0.1122","0.1179","","","","","","1.049","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218201","10.8959","0.0006","11.2529","0.0007","12.1372","0.0007","109.804","0.002","102.546","0.002","91.431","0.002","1358.81","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0344","0.0324","","","0.0845","0.0863","","","","","","1.051","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218202","15.1794","0.0006","17.1547","0.0007","17.2922","0.0007","115.89","0.002","100.999","0.002","108.227","0.002","3554.1","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O20 Zn4 -","- C68 H74 N6 O20 Zn4 -","- C136 H148 N12 O40 Zn8 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0685","0.0516","","","0.1364","0.149","","","","","","1.043","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218203","10.9315","0.0007","11.2063","0.0008","13.3817","0.0009","96.615","0.003","102.46","0.003","99.944","0.003","1556.69","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.039","0.0348","","","0.0877","0.0911","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218204","10.0691","0.0008","10.7273","0.0009","11.9802","0.0009","93.2","0.003","106.786","0.003","117.792","0.003","1067.91","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0357","0.0334","","","0.0916","0.0937","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218205","8.0908","0.0009","29.735","0.003","16.6368","0.0018","90","","99.076","0.009","90","","3952.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 N3 O11 Zn2 -","- C37 H43 N3 O11 Zn2 -","- C148 H172 N12 O44 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.1554","0.1061","","","0.2826","0.3108","","","","","","1.136","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218212","22.95","0.004","34.573","0.005","17.549","0.005","90","","104.677","0.002","90","","13470","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C78 H71 N9 O17 -","- C78 H69 N9 O17 -","- C624 H552 N72 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1572","0.0619","","","0.1255","0.162","","","","","","0.99","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218213","17.524","0.0004","17.9622","0.0004","18.5524","0.0004","99.369","0.001","100.579","0.001","110.01","0.001","5230.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C117 H121 N9 O31 -","- C117 H121 N9 O31 -","- C234 H242 N18 O62 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","1.54178","CuKα","","0.0684","0.0556","","","0.1728","0.1896","","","","","","1.066","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218214","29.9239","0.0011","19.772","0.0007","23.7677","0.0009","90","","116.033","0.002","90","","12635.5","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71 H78 N6 O17 -","- C71 H78 N6 O17 -","- C568 H624 N48 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0774","0.057","","","0.1556","0.1679","","","","","","1.047","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218215","7.3273","0.0008","16.7326","0.0019","23.611","0.003","85.742","0.002","83.946","0.002","86.963","0.002","2867.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethyl-pyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H60 N8 O14 -","- C66 H60 N8 O14 -","- C132 H120 N16 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1029","0.0456","","","0.0982","0.1225","","","","","","0.984","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218216","12.6468","0.0016","15.636","0.002","16.887","0.002","64.978","0.002","81.891","0.002","68.093","0.002","2806.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C67 H66 N6 O15 -","- C67 H66 N6 O15 -","- C134 H132 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0975","0.0577","","","0.1506","0.1785","","","","","","1.023","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218217","12.5764","0.0016","15.566","0.002","16.818","0.002","65.345","0.002","82.005","0.002","68.245","0.002","2778.6","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H64 N6 O15 -","- C66 H64 N6 O15 -","- C132 H128 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1061","0.0586","","","0.1405","0.1638","","","","","","1.049","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218218","15.986","0.003","13.95","0.003","19.675","0.004","90","","99.924","0.003","90","","4322","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C51 H51 N3 O13 -","- C51 H51 N3 O13 -","- C204 H204 N12 O52 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0895","0.0485","","","0.1104","0.1349","","","","","","1.017","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218219","12.453","0.003","15.858","0.003","19.087","0.006","110.506","0.004","94.181","0.004","110.339","0.003","3228","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71.5 H79 N6 O17 -","- C71.5 H78 N6 O17 -","- C143 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1131","0.0677","","","0.1782","0.207","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218220","12.6569","0.001","15.762","0.0013","18.771","0.002","109.665","0.001","92.113","0.001","111.92","0.001","3214.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C72 H80 N6 O17 -","- C72 H78 N6 O17 -","- C144 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0691","0.0479","","","0.1234","0.1371","","","","","","1.047","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218221","12.618","0.003","15.758","0.003","18.702","0.004","109.763","0.003","92.291","0.003","112.029","0.003","3184.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C73 H82 N6 O17 -","- C73 H80 N6 O17 -","- C146 H160 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.089","0.0615","","","0.1671","0.1892","","","","","","1.036","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218222","11.8485","0.0016","12.7498","0.0017","18.287","0.002","84.294","0.002","85.839","0.002","63.72","0.002","2463.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H65 N3 O18 -","- C57 H65 N3 O18 -","- C114 H130 N6 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0863","0.0631","","","0.1649","0.185","","","","","","1.039","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218223","18.733","0.002","12.8486","0.0013","22.432","0.002","90","","106.873","0.001","90","","5166.8","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H66 N4 O15 -","- C57 H62 N4 O15 -","- C228 H248 N16 O60 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1318","0.0599","","","0.1468","0.189","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218224","10.771","0.002","6.4406","0.0013","19.57","0.004","90","","98.21","0.03","90","","1343.7","0.5","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0299","0.0277","","","0.0763","0.0777","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218225","10.388","0.002","14.804","0.003","20.219","0.004","83.24","0.03","84.1","0.03","87.45","0.03","3069.7","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 N4 O8 Zn2 -","- C64 H68 N4 O8 Zn2 -","- C128 H136 N8 O16 Zn4 -","2","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0786","0.0485","","","0.1174","0.1326","","","","","","1.012","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218226","15.281","0.003","21.46","0.004","15.867","0.003","90","","94.63","0.03","90","","5186.3","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H20.75 N1.25 O4 Zn -","- C26.5 H20.75 N1.25 O4 Zn -","- C212 H166 N10 O32 Zn8 -","8","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0756","0.0593","","","0.1533","0.1694","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218227","16.26","0.003","16.26","0.003","16.549","0.003","90","","90","","90","","4375.4","1.4","223","2","223","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 N O5 Zn -","- C26 H20 N O5 Zn -","- C208 H160 N8 O40 Zn8 -","8","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0487","0.0421","","","0.1117","0.1189","","","","","","1.052","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218228","15.063","0.003","6.1809","0.0012","23.546","0.008","90","","117.92","0.02","90","","1937","0.9","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 N2 O5 Zn -","- C42 H38 N2 O5 Zn -","- C84 H76 N4 O10 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.078","0.0691","","","0.1995","0.2073","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218229","16.99","0.003","18.475","0.004","11.966","0.002","90","","92.92","0.03","90","","3751.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 Nd O6 -","- C29 H17 F18 N4 Nd O6 -","- C116 H68 F72 N16 Nd4 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0547","0.0356","","","0.0838","0.0915","","","","","","0.962","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218230","16.975","0.003","18.527","0.004","11.936","0.002","90","","93.47","0.03","90","","3746.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 O6 Sm -","- C29 H17 F18 N4 O6 Sm -","- C116 H68 F72 N16 O24 Sm4 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0514","0.036","","","0.0877","0.0968","","","","","","0.988","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218231","16.936","0.003","18.506","0.004","11.923","0.002","90","","93.65","0.03","90","","3729.3","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 Eu F18 N4 O6 -","- C29 H17 Eu F18 N4 O6 -","- C116 H68 Eu4 F72 N16 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","","0.0409","","","0.1118","0.1207","","","","","","1.045","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218232","17.701","0.0005","19.2428","0.0004","23.1401","0.0007","67.657","0.002","83.186","0.002","63.229","0.002","6495.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H58 F60 Gd4 N12 O24 -","- C96 H58 F60 Gd4 N12 O24 -","- C192 H116 F120 Gd8 N24 O48 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0857","0.055","","","0.1431","0.1611","","","","","","1.081","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218233","12.44","0.005","20.322","0.005","20.819","0.005","70.278","0.005","74.202","0.005","79.033","0.005","4739","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H36 Dy3 F48 N11 O16 -","- C69 H36 Dy3 F48 N11 O16 -","- C138 H72 Dy6 F96 N22 O32 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71069","MoKα","","0.0832","0.0527","","","0.1139","0.1334","","","","","","1.039","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218234","23.313","0.005","11.45","0.002","24.062","0.005","90","","90","","90","","6423","2","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C44 H20 F36 N4 O12 Yb2 -","- C44 H20 F36 N4 O12 Yb2 -","- C176 H80 F144 N16 O48 Yb8 -","4","0.5","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0771","0.0541","","","0.1405","0.1546","","","","","","1.079","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218244","12.123","0.0006","16.851","0.0008","17.716","0.0008","106.672","0.004","109.3","0.004","99.89","0.004","3126.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N2 O30 Zn3 -","- C52 H52 N2 O30 Zn3 -","- C104 H104 N4 O60 Zn6 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.111","0.0775","","","0.2248","0.2573","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218245","16.719","0.0004","16.719","0.0004","24.598","0.0007","90","","90","","120","","5954.6","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 Co4 N2 O39 -","- C54 H54 Co4 N2 O39 -","- C162 H162 Co12 N6 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.0948","0.065","","","0.1805","0.1996","","","","","","1.11","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218246","16.719","0.0007","16.719","0.0007","24.598","0.001","90","","90","","120","","5954.6","0.4","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 N2 Ni4 O39 -","- C54 H54 N2 Ni4 O39 -","- C162 H162 N6 Ni12 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.1284","0.0746","","","0.1964","0.2379","","","","","","1.022","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218247","12.3029","0.0013","17.4336","0.0019","17.492","0.0018","67.67","0.01","76.2","0.009","71.884","0.009","3267.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H84 Mn3 N2 O39 -","- C53 H54 Mn3 N2 O39 -","- C106 H108 Mn6 N4 O78 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71073","MoKα","","0.2191","0.0903","","","0.1829","0.2496","","","","","","0.973","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218258","15.675","0.002","18.849","0.005","19.855","0.005","90","","90","","90","","5866","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 N4 O8 S -","- C22 H42 N4 O8 S -","- C176 H336 N32 O64 S8 -","8","2","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0708","0.0473","","","0.1106","0.1297","","","","","","1.032","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218259","9.1689","0.0004","15.824","0.0005","21.6607","0.001","90","","90","","90","","3142.7","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.1329","0.0743","","","0.1899","0.2296","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218260","10.551","0.003","15.765","0.005","20.395","0.005","90","","90","","90","","3392.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0691","0.0536","","","0.1299","0.1423","","","","","","1.036","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218261","4.9125","0.0002","9.3729","0.0004","12.3508","0.0005","110.316","0.002","90.313","0.002","100.233","0.001","523.43","0.04","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","1","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0325","0.032","","","0.0869","0.0877","","","","","","1.062","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218267","37.303","0.0017","8.9433","0.0004","12.9288","0.0006","90","","100.327","0.002","90","","4243.3","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(BEDT-TTF)ethyl thiophene-2-carboxylate","","- C17 H14 O2 S9 -","- C17 H14 O2 S9 -","- C136 H112 O16 S72 -","8","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.0547","0.053","","","0.1198","0.1208","","","","","","1.113","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218268","6.5563","0.0005","9.9629","0.0008","16.1326","0.0013","105.019","0.002","96.449","0.002","97.549","0.002","997.1","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(BEDT-TTF)methyl thiophene-2-carboxylate","","- C16 H12 O2 S9 -","- C16 H12 O2 S9 -","- C32 H24 O4 S18 -","2","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.039","0.0357","","","0.0793","0.083","","","","","","1.147","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218269","8.204","0.003","12.534","0.003","18.02","0.005","90","","102.77","0.03","90","","1807.1","1","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C84 H64 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.1207","0.0584","","","0.1188","0.1316","","","","","","1","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218270","7.553","0.002","14.247","0.005","15.149","0.005","66.25","0.04","79.39","0.03","81.05","0.03","1460.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N8 O10 -","- C31 H30 N8 O10 -","- C62 H60 N16 O20 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.161","0.0663","","","0.107","0.1224","","","","","","1.005","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218271","3.4771","0.0008","10.671","0.002","10.22","0.002","90","","94.143","0.004","90","","378.21","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Ag N5 -","- C H2 Ag N5 -","- C4 H8 Ag4 N20 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0382","0.0338","","","0.0965","0.0986","","","","","","1.16","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218272","4.5401","0.0006","11.0469","0.0015","14.585","0.002","90","","93.647","0.002","90","","730.02","0.17","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Ag N7 -","- C3 H8 Ag N7 -","- C12 H32 Ag4 N28 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0336","0.0268","","","0.072","0.075","","","","","","1.146","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218273","10.0914","0.0005","12.6143","0.0006","13.2987","0.0006","99.312","0.003","100.74","0.004","96.354","0.004","1623.89","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0508","0.0347","","","0.0603","0.0659","","","","","","1.013","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218274","8.4595","0.0005","12.9231","0.0008","15.4404","0.0009","98.995","0.006","100.654","0.007","100.68","0.006","1598.09","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.057","0.0384","","","0.0688","0.0755","","","","","","0.995","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218275","8.4411","0.0003","12.9074","0.0004","15.4508","0.0005","98.976","0.001","100.829","0.001","100.727","0.002","1592.4","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0532","0.037","","","0.0653","0.0716","","","","","","1.037","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218276","10.0492","0.0004","11.9135","0.0005","14.3855","0.0006","110.397","0.002","96.364","0.003","102.19","0.002","1545.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.0503","0.0523","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218277","10.0755","0.0003","11.8866","0.0003","14.3488","0.0004","110.75","0.03","96.41","0.03","101.87","0.02","1540.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0317","0.0249","","","0.0513","0.0539","","","","","","1.028","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218278","10.0939","0.0003","11.8412","0.0004","14.2899","0.0005","111.041","0.002","96.482","0.001","101.468","0.001","1530.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.033","0.0258","","","0.0512","0.0541","","","","","","1.03","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218279","10.0959","0.0003","11.8279","0.0003","14.274","0.0004","111.186","0.0009","96.461","0.0009","101.386","0.0011","1526.17","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0292","0.0236","","","0.0493","0.0515","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218280","10.1079","0.0003","11.819","0.0003","14.2667","0.0004","111.32","0.002","96.529","0.003","101.207","0.002","1525.43","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0341","0.0267","","","0.0554","0.0586","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218281","10.0937","0.0008","11.8057","0.0009","14.2502","0.0011","111.386","0.005","96.465","0.004","101.209","0.005","1519.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0373","0.0284","","","0.0551","0.0586","","","","","","0.995","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218282","10.1082","0.0005","11.7926","0.0005","14.244","0.0007","111.419","0.003","96.559","0.003","101.088","0.002","1519.19","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0664","0.0407","","","0.0588","0.0661","","","","","","0.986","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218283","10.0929","0.0008","11.8472","0.0009","14.288","0.0011","111.16","0.003","96.429","0.004","101.497","0.004","1529.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0696","0.0422","","","0.0744","0.083","","","","","","1.011","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218284","7.1325","0.0014","11.657","0.002","11.979","0.002","61.83","0.03","86.14","0.03","76.85","0.03","854","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 F4 N3 O4 -","- C18 H9 F4 N3 O4 -","- C36 H18 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.1244","0.1067","","","0.2711","0.29","","","","","","1.155","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218285","5.8306","0.0012","9.969","0.002","15.544","0.003","71.39","0.03","87.46","0.03","86.71","0.03","854.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F4 N3 O4 -","- C19 H11 F4 N3 O4 -","- C38 H22 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0475","0.0453","","","0.1157","0.1176","","","","","","1.093","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218286","5.653","0.004","9.661","0.008","18.613","0.014","93.602","0.015","91.807","0.014","96.604","0.014","1007","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N3 O4 -","- C22 H17 F4 N3 O4 -","- C44 H34 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0825","0.0697","","","0.1598","0.1685","","","","","","1.142","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218287","7.5088","0.0015","10.929","0.002","12.823","0.003","112.78","0.03","93.81","0.03","105.56","0.03","917.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F4 N3 O4 -","- C20 H13 F4 N3 O4 -","- C40 H26 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0575","0.0523","","","0.1245","0.1291","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218294","8.4167","0.0011","10.2057","0.0014","11.0501","0.0015","83.969","0.003","78.625","0.002","79.928","0.003","913.7","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","1","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0447","0.0401","","","0.1046","0.1084","","","","","","1.048","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218295","12.4175","0.0014","9.8024","0.0011","15.7042","0.0016","90","","105.303","0.003","90","","1843.8","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C36 H72 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.1295","0.0876","","","0.1839","0.2038","","","","","","1.082","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218296","11.964","0.003","10.381","0.003","16.974","0.004","90","","100.531","0.004","90","","2072.6","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 F12 Li2 N6 O8 S4 -","- C24 H48 F12 Li2 N6 O8 S4 -","- C48 H96 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0362","0.0324","","","0.0877","0.091","","","","","","1.016","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218297","12.2852","0.0014","13.5924","0.0016","16.4701","0.0019","90","","90","","90","","2750.3","0.6","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H32 F6 Li2 N4 O6 S2 -","- C14 H32 F6 Li2 N4 O6 S2 -","- C56 H128 F24 Li8 N16 O24 S8 -","4","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0889","0.0732","","","0.2063","0.2276","","","","","","1.042","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218306","8.3326","0.0004","10.378","0.0005","16.5929","0.0009","87.46","0.003","77.784","0.003","74.322","0.003","1350.09","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu N4 O7 -","- C28 H30 Cu N4 O7 -","- C56 H60 Cu2 N8 O14 -","2","1","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1205","0.0652","","","0.167","0.2012","","","","","","1.028","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218307","29.5458","0.0009","6.3519","0.0002","18.5588","0.0006","90","","125.32","0.002","90","","2841.88","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1121","0.0624","","","0.1577","0.1864","","","","","","1.009","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218308","15.8723","0.0008","12.1103","0.0006","14.8539","0.0007","90","","90","","90","","2855.2","0.2","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1229","0.075","","","0.1865","0.2242","","","","","","1.053","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218309","9.523","0.005","14.45","0.006","20.41","0.009","71.148","0.014","79.669","0.017","76.292","0.015","2566","2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H20 Cu3 O16 S2 -","- C64 H80 Cu12 O64 S8 -","4","2","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","0.1355","0.0625","","","0.1423","0.183","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218310","5.712","0.004","8.741","0.006","27.1","0.016","97.596","0.009","91.516","0.006","100.966","0.01","1314.8","1.5","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H16 Cu2.5 O16 S2 -","- C32 H32 Cu5 O32 S4 -","2","1","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","","0.0479","","","","0.133","","","","","","1.041","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218311","6.8581","0.0002","14.7849","0.0004","17.3015","0.0006","90","","90.966","0.002","90","","1754.06","0.09","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.1196","0.051","","0.1015","0.0512","0.0512","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218312","6.8234","0.0004","14.7074","0.0007","17.2","0.002","90","","90.814","0.007","90","","1725.9","0.2","296","","296","","","","164630","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0732","0.0501","","0.0671","0.0396","0.0396","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218313","6.6545","0.0002","14.3261","0.0005","16.7183","0.0014","90","","90.46","0.005","90","","1593.75","0.15","296","","296","","","","1085560","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0642","0.0354","","0.0571","0.0385","0.0385","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218314","6.5502","0.0004","14.1051","0.0007","16.497","0.003","90","","90.396","0.008","90","","1524.1","0.3","296","","296","","","","2037080","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0467","0.0326","","0.0438","0.0348","0.0348","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218315","6.4636","0.0002","13.8775","0.0005","16.3094","0.0016","90","","90.317","0.005","90","","1462.91","0.16","296","","296","","","","3019480","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0477","0.0339","","0.0413","0.0355","0.0355","","","","","","0.9998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218316","6.4012","0.0004","13.7152","0.0009","16.187","0.003","90","","90.438","0.008","90","","1421.1","0.3","296","","296","","","","3963500","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0506","0.034","","0.0452","0.0367","0.0367","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218317","6.3469","0.0005","13.6039","0.001","16.105","0.003","90","","90.549","0.01","90","","1390.5","0.3","296","","296","","","","4882700","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0615","0.0392","","0.0553","0.0417","0.0417","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218320","5.0587","0.0004","5.0974","0.0004","24.1635","0.0019","84.859","0.002","84.33","0.002","88.194","0.002","617.38","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-7 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)2-I","","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0563","0.0599","","","","","","0.989","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218321","5.0194","0.0003","5.0906","0.0003","26.5502","0.0014","85.503","0.002","85.901","0.002","88.219","0.001","674.36","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-8 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)4-I","","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0168","0.0161","","","0.041","0.0414","","","","","","1.022","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218322","5.0345","0.0012","5.1049","0.0012","29.113","0.007","85.793","0.006","87.469","0.007","88.033","0.005","745.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-9 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)6-I","","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0287","0.0281","","","0.072","0.0725","","","","","","1.131","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218323","5.0593","0.0007","5.0774","0.0007","22.229","0.003","94.513","0.005","91.986","0.004","91.522","0.004","568.66","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-7 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)2-I","","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0259","0.0244","","","0.0688","0.0752","","","","","","1.183","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218324","64.445","0.006","4.9349","0.0004","9.1473","0.0008","90","","90","","90","","2909.1","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DW-8-9 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)6-I","","- C24 H22 F12 I2 N4 O2 -","- C24 H22 F12 I2 N4 O2 -","- C96 H88 F48 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0496","0.0367","","","0.106","0.1164","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218325","5.0528","0.0004","5.1104","0.0004","29.87","0.002","86.386","0.002","87.93","0.002","87.776","0.002","768.75","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-18 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)8-I","","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0301","0.0273","","","0.071","0.0729","","","","","","0.975","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218326","40.059","0.005","5.6695","0.0005","9.7828","0.0012","90","","102.959","0.003","90","","2165.2","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F4 I2 N4 O2 -","- C18 H18 F4 I2 N4 O2 -","- C72 H72 F16 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0179","0.0142","","","0.0342","0.0361","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218327","4.9772","0.0012","10.655","0.003","12.169","0.003","71.067","0.002","88.865","0.003","86.924","0.002","609.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0269","0.0225","","","0.0498","0.0525","","","","","","1.021","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218328","49.953","0.003","5.5707","0.0003","9.7257","0.0006","90","","95.234","0.002","90","","2695.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-9 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)6-I","","- C22 H18 F12 I2 N4 O2 -","- C22 H18 F12 I2 N4 O2 -","- C88 H72 F48 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0233","0.022","","","0.0567","0.0574","","","","","","1.033","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218329","54.569","0.003","5.6337","0.0003","9.7038","0.0006","90","","92.37","0.002","90","","2980.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-18 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)8-I","","- C24 H18 F16 I2 N4 O2 -","- C24 H18 F16 I2 N4 O2 -","- C96 H72 F64 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0326","0.0266","","","0.0618","0.0641","","","","","","1.07","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218330","12.7557","0.0006","9.5667","0.0005","9.7394","0.0005","90","","110.988","0.001","90","","1109.65","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-8 (3-pyridyl)-CONH-(CH2)4-NHCO-(3-pyridyl), I-(CF2)4-I","","- C18 H14 F8 I2 N4 O2 -","- C18 H14 F8 I2 N4 O2 -","- C36 H28 F16 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0285","0.0252","","","0.0607","0.0631","","","","","","1.069","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218331","13.7352","0.0008","9.3958","0.0005","9.8519","0.0006","90","","103.888","0.002","90","","1234.25","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-9 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)6-I","","- C20 H14 F12 I2 N4 O2 -","- C20 H14 F12 I2 N4 O2 -","- C40 H28 F24 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0242","0.0211","","","0.0472","0.0484","","","","","","1.034","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218332","15.1894","0.0018","9.3947","0.0011","9.8668","0.0011","90","","95.169","0.004","90","","1402.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-18 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)8-I","","- C22 H14 F16 I2 N4 O2 -","- C22 H14 F16 I2 N4 O2 -","- C44 H28 F32 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0335","0.03","","","0.0897","0.1023","","","","","","1.213","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218342","9.2374","0.0013","13.1931","0.0019","13.996","0.002","62.333","0.004","87.519","0.005","89.003","0.005","1509.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.0465","0.0407","","","0.1105","0.1121","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218343","9.3862","0.0016","13.686","0.002","13.827","0.002","60.772","0.011","85.924","0.013","85.375","0.014","1544","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,4-methylene dianiline copper chloride","","- C53 H66 Cl12 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.1912","0.1499","","","0.3867","0.4092","","","","","","1.524","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218344","27.4518","0.0011","27.4518","0.0011","18.2099","0.0008","90","","90","","90","","13723","1","100","2","100","2","","","","","","","","4","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate","","- C80 H60 N10 O16 -","- C80 H60 N10 O16 -","- C640 H480 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","1.54178","CuKα","","0.0845","0.0776","","","0.2015","0.2099","","","","","","1.036","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218345","27.3385","0.0007","27.3385","0.0007","18.3255","0.0008","90","","90","","90","","13696.4","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatonickel(II) nitrobenzene hexasolvate","","- C80 H58 N10 Ni O16 -","- C80 H58 N10 Ni O16 -","- C640 H464 N80 Ni8 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1655","0.0781","","","0.1737","0.218","","","","","","1.02","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218346","27.3921","0.0007","27.3921","0.0007","18.3185","0.0009","90","","90","","90","","13744.9","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatocopper(II) nitrobenzene hexasolvate","","- C80 H58 Cu N10 O16 -","- C80 H58 Cu N10 O16 -","- C640 H464 Cu8 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1366","0.0769","","","0.1768","0.2131","","","","","","1.024","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218347","7.3275","0.0005","8.5017","0.0006","13.4868","0.0009","84.83","0.006","86.312","0.006","74.381","0.006","805.16","0.1","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0692","0.0643","","","0.175","0.1783","","","","","","1.123","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218348","9.2353","0.0004","9.5741","0.0004","15.2398","0.0007","92.225","0.004","94.475","0.004","92.593","0.004","1340.8","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0617","0.0666","","","","","","1.016","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218349","23.6028","0.0006","25.1893","0.0008","7.6207","0.0002","90","","90","","90","","4530.8","0.2","298","","298","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H36 I6 N4 -","- C18 H36 I6 N4 -","- C108 H216 I36 N24 -","6","0.75","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0886","0.0543","","","0.0878","0.1011","","","","","","1.119","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218350","28.9478","0.0014","14.3498","0.0009","6.3034","0.0004","90","","90","","90","","2618.4","0.3","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H36 I4 N4 -","- C18 H36 I4 N4 -","- C72 H144 I16 N16 -","4","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0625","0.0563","","","0.1465","0.1497","","","","","","1.199","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218351","8.1603","0.0006","9.2796","0.0008","11.8828","0.0005","96.851","0.005","90.584","0.005","111.27","0.007","831.14","0.11","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0512","0.0442","","","0.1093","0.1167","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218352","16.8096","0.0002","15.3277","0.0001","22.8613","0.0003","90","","90","","90","","5890.27","0.11","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 I6 N4 -","- C20 H40 I6 N4 -","- C160 H320 I48 N32 -","8","1","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0676","0.0582","","","0.1562","0.1649","","","","","","1.052","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218353","8.8468","0.0005","9.2378","0.0004","13.5621","0.0008","102.188","0.003","92.217","0.002","106.349","0.003","1033.87","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0514","0.0408","","","0.0737","0.078","","","","","","1.129","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218354","11.378","0.005","12.184","0.005","23.328","0.005","83.715","0.005","81.99","0.005","70.714","0.005","3015.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0715","0.0511","","","0.1091","0.1312","","","","","","1.046","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218355","11.384","0.005","12.189","0.005","23.331","0.005","83.75","0.005","82.022","0.005","70.697","0.005","3019","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H66 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.083","0.0584","","","0.1584","0.185","","","","","","1.017","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218356","11.458","0.0016","12.263","0.0018","24.833","0.004","94.768","0.002","100.812","0.002","114.139","0.002","3077.5","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0904","0.0586","","","0.1436","0.1669","","","","","","1.025","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218357","11.335","0.005","12.152","0.005","23.319","0.005","83.543","0.005","81.741","0.005","71.112","0.005","3000.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0808","0.0506","","","0.1232","0.1439","","","","","","1.057","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218358","11.322","0.005","12.139","0.005","23.311","0.005","83.586","0.005","81.753","0.005","71.169","0.005","2993.6","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H68 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0705","0.0502","","","0.1169","0.1254","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218359","10.765","0.002","11.596","0.003","12.705","0.003","77.594","0.011","65.275","0.011","65.336","0.011","1307.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 F3 N5 O2 S -","- C27 H22 F3 N5 O2 S -","- C54 H44 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0855","0.059","","","0.172","0.1915","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218360","9.1324","0.0002","11.6423","0.0003","14.2374","0.0003","92.939","0.002","99.316","0.002","110.239","0.002","1392.12","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N5 O2 S -","- C29 H24 F3 N5 O2 S -","- C58 H48 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1641","0.0624","","","0.143","0.1832","","","","","","0.96","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218361","7.989","0.0008","11.3277","0.0011","15.7937","0.0015","78.78","0.006","81.807","0.006","83.993","0.006","1383.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N5 O2 S -","- C29 H26 F3 N5 O2 S -","- C58 H52 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0961","0.0626","","","0.1597","0.1813","","","","","","1.013","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218362","21.71","0.004","9.5377","0.0016","27.024","0.005","90","","92.813","0.008","90","","5588.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25 F3 N5 O2.5 S -","- C28.5 H25 F3 N5 O2.5 S -","- C228 H200 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0811","0.0636","","","0.176","0.1955","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218363","21.952","0.004","9.4776","0.0017","27.112","0.004","90","","92.885","0.012","90","","5633.6","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O2.5 S -","- C29 H26 F3 N5 O2.5 S -","- C232 H208 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0996","0.0578","","","0.1318","0.1529","","","","","","1.01","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218364","21.9683","0.0005","9.4685","0.0002","27.2121","0.0006","90","","93.42","0.001","90","","5650.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O3 S -","- C29 H26 F3 N5 O3 S -","- C232 H208 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1109","0.0642","","","0.1725","0.2","","","","","","1.044","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218365","21.3705","0.0011","10.0269","0.0004","27.7028","0.0011","90","","91.927","0.004","90","","5932.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H27 F3 N5 O2.5 S -","- C30.5 H27 F3 N5 O2.5 S -","- C244 H216 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0839","0.0634","","","0.1728","0.1899","","","","","","1.139","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218366","21.606","0.003","10.0057","0.0016","27.794","0.005","90","","91.919","0.006","90","","6005.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O2.5 S -","- C31 H28 F3 N5 O2.5 S -","- C248 H224 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.2142","0.0823","","","0.2226","0.2987","","","","","","1.012","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218367","21.5985","0.0015","9.937","0.0007","28.061","0.002","90","","92.248","0.003","90","","6017.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O3 S -","- C31 H28 F3 N5 O3 S -","- C248 H224 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1288","0.0818","","","0.2448","0.2803","","","","","","1.072","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218368","12.9273","0.0011","9.3874","0.0009","18.211","0.0016","90","","107.861","0.004","90","","2103.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Br2 Co3 N4 O12 -","- C36 H34 Br2 Co3 N4 O12 -","- C72 H68 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.112","0.0774","","","0.195","0.2066","","","","","","1.006","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218369","12.9773","0.0006","9.4496","0.0004","18.231","0.0009","90","","108.237","0.002","90","","2123.38","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Co3 N4 O12 -","- C38 H38 Br2 Co3 N4 O12 -","- C76 H76 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0458","0.0321","","","0.0742","0.0822","","","","","","0.952","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218370","13.0822","0.0012","9.7472","0.0008","18.0158","0.0016","90","","108.963","0.003","90","","2172.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Br2 Co3 N4 O12 -","- C40 H42 Br2 Co3 N4 O12 -","- C80 H84 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0849","0.0474","","","0.0994","0.1142","","","","","","1.06","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218371","33.093","0.003","9.6403","0.0009","18.513","0.0019","90","","92.954","0.005","90","","5898.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Co3 N4 O16 -","- C50 H50 Co3 N4 O16 -","- C200 H200 Co12 N16 O64 -","4","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0939","0.068","","","0.1929","0.2061","","","","","","1.007","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218388","8.9605","0.0002","10.9173","0.0003","12.2318","0.0003","90","","102.135","0.002","90","","1169.83","0.05","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H16 N3 O P -","- C10 H16 N3 O P -","- C40 H64 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0452","0.0334","","","0.0404","0.0411","","","","2.33","2.33","2.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218389","9.3055","0.0003","10.8856","0.0003","12.9523","0.0004","90","","93.386","0.002","90","","1309.73","0.07","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 N3 O P -","- C12 H20 N3 O P -","- C48 H80 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0361","0.0303","","","0.0383","0.0391","","","","2.31","2.31","2.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218390","10.5318","0.0003","9.1502","0.0003","40.9969","0.001","90","","90","","90","","3950.8","0.2","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N3 O P -","- C22 H26 N3 O P -","- C176 H208 N24 O8 P8 -","8","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0426","0.0316","","","0.039","0.0399","","","","2.11","2.11","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218391","36.2225","0.0016","36.2225","0.0016","5.4306","0.0002","90","","90","","90","","7125.3","0.5","120","0.1","120","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C20 H22 N3 O P -","- C20 H22 N3 O P -","- C320 H352 N48 O16 P16 -","16","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0617","0.0407","","","0.0433","0.046","","","","1.9","1.9","1.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218392","9.4194","0.0002","9.5502","0.0002","10.1063","0.0003","106.381","0.002","91.21","0.002","115.19","0.002","778.78","0.04","119.8","0.3","119.8","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H22 Cl2 N3 O2 P Sn0 -","- C10 H22 Cl2 N3 O2 P -","- C20 H44 Cl4 N6 O4 P2 -","2","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0365","0.0289","","","0.0824","0.0856","","","","1.48","1.48","1.41","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218393","11.3283","0.0003","11.3283","0.0003","14.4747","0.0003","90","","90","","90","","1857.54","0.08","119.8","0.6","119.8","","","","","","","","","6","P 43","P 4cw","78","","","","- C14 H26 Cl2 N3 O2 P -","- C14 H26 Cl2 N3 O2 P -","- C56 H104 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.049","0.0336","","","0.03","0.0316","","","","1.46","1.46","1.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218394","13.2836","0.0003","9.9293","0.0002","17.5975","0.0005","90","","109.596","0.002","90","","2186.62","0.09","119.9","0.6","119.9","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N3 O2 P -","- C19 H28 Cl2 N3 O2 P -","- C76 H112 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0453","0.0303","","","0.0332","0.0348","","","","1.88","1.88","1.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218395","11.3453","0.0004","12.3967","0.0004","25.1236","0.0008","94.263","0.002","98.121","0.003","116.378","0.003","3096.2","0.2","120","0.14","120","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cl2 N3 O2 P -","- C35 H32 Cl2 N3 O2 P -","- C140 H128 Cl8 N12 O8 P4 -","4","2","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0387","0.0296","","","0.0656","0.0698","","","","1.44","1.44","1.37","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218404","7.1884","0.0002","10.329","0.0003","12.3618","0.0004","90","","90","","90","","917.85","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- O11 P Rb V2 -","- O11 P Rb V2 -","- O44 P4 Rb4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0537","0.0386","","","0.0702","0.0748","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218405","7.1203","0.0001","10.1782","0.0002","12.3477","0.0003","90","","90","","90","","894.86","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- K O11 P V2 -","- K O11 P V2 -","- K4 O44 P4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0292","0.0263","","","0.0679","0.0687","","","","","","1.217","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218406","11.5887","0.0003","13.7676","0.0004","16.8921","0.0005","90","","90","","90","","2695.11","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 U -","- C12 H11 N2 O5 U -","- C96 H88 N16 O40 U8 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0462","0.0294","","","0.0566","0.062","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218407","17.5227","0.0016","11.7243","0.001","16.7131","0.0015","90","","112.255","0.002","90","","3177.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N3 O10 U2 -","- C8 H10 N3 O10 U2 -","- C64 H80 N24 O80 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0845","0.0609","","","0.1731","0.185","","","","","","1.049","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218408","7.9487","0.0005","19.0021","0.0011","10.5863","0.0006","90","","95.645","0.001","90","","1591.22","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0461","0.0285","","","0.0533","0.0581","","","","","","0.989","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218409","7.2325","0.0016","16.469","0.004","17.315","0.004","90","","100.814","0.003","90","","2025.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O10.5 U2 -","- C2 H7 N O10.5 U2 -","- C16 H56 N8 O84 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0871","0.0505","","","0.0939","0.1081","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218410","10.6792","0.0015","9.1741","0.0014","9.0549","0.0012","90","","100.211","0.003","90","","873.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1269","0.0533","","","0.1261","0.1573","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218411","5.1064","0.0004","5.1749","0.0004","16.3054","0.001","88.25","0.005","81.485","0.005","79.662","0.005","419.2","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C16 H32 O4 -","2","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1254","0.06","","","0.1756","0.2336","","","","","","0.917","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218420","26.51","0.003","26.51","0.003","26.51","0.003","90","","90","","90","","18631","4","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","DUT-6-boron","DUT-6","","- C121.5 H206.5 B1.33 N15.5 O28.5 Zn4 -","- C44 H36 B1.33333 O13 Zn4 -","- C264 H216 B8 O78 Zn24 -","6","0.125","","Helten, Stella; Sahoo, Basudev; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker","CrystEngComm","2015","17","2","307","","10.1039/C4CE01400F","","x-ray","0.88561","synchrotron","","0.1383","0.1167","","","0.3529","0.3864","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218434","7.563","0.006","8.34","0.007","9.721","0.006","68.15","0.03","79.933","0.015","63.506","0.009","509.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0637","0.0615","","","0.1737","0.1754","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218435","12.584","0.002","11.4846","0.0019","15.765","0.003","90","","101.664","0.002","90","","2231.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd N12 O3 -","- C20 H20 Cd N12 O3 -","- C80 H80 Cd4 N48 O12 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0447","0.0321","","","0.0721","0.0785","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218436","7.784","0.004","13.039","0.006","11.761","0.005","90","","93.106","0.006","90","","1191.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cd N12 O4 -","- C20 H22 Cd N12 O4 -","- C40 H44 Cd2 N24 O8 -","2","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1225","0.1051","","","0.3042","0.3133","","","","","","1.041","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218437","13.27","0.004","13.217","0.004","6.92","0.002","90","","100.561","0.003","90","","1193.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cd Cl N6 O -","- C10 H9 Cd Cl N6 O -","- C40 H36 Cd4 Cl4 N24 O4 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0425","0.0392","","","0.1108","0.1127","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218438","9.7741","0.0008","7.3309","0.0006","16.1973","0.0014","90","","105.005","0.001","90","","1121.01","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd Cl N6 -","- C10 H7 Cd Cl N6 -","- C40 H28 Cd4 Cl4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0199","0.0178","","","0.0438","0.0449","","","","","","1.06","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218439","4.268","0.003","8.108","0.005","17.578","0.011","95.734","0.009","94.064","0.008","103.239","0.008","586.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1699","0.0672","","","0.1154","0.1439","","","","","","1.017","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218440","9.8675","0.0015","7.7516","0.0013","17.034","0.003","90","","107.209","0.002","90","","1244.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd I N6 -","- C10 H7 Cd I N6 -","- C40 H28 Cd4 I4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0268","0.0231","","","0.062","0.0643","","","","","","1.001","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218441","17.3547","0.0015","17.3547","0.0015","16.3898","0.0014","90","","90","","120","","4275","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H14 Cd N12 -","- C20 H14 Cd N12 -","- C180 H126 Cd9 N108 -","9","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0196","0.0186","","","0.0631","0.0642","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218446","7.8024","0.0013","15.776","0.003","22.417","0.004","90","","100.022","0.003","90","","2717.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O8 Zn -","- C27 H18 N4 O8 Zn -","- C108 H72 N16 O32 Zn4 -","4","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.1071","0.0617","","","0.1639","0.1878","","","","","","1.013","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218447","20.2193","0.0004","6.5716","0.0001","27.935","0.0005","90","","90","","90","","3711.81","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O9 Zn2 -","- C15 H12 O9 Zn2 -","- C120 H96 O72 Zn16 -","8","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0647","0.0401","","","0.0972","0.1197","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218448","29.778","0.002","6.6754","0.0005","19.4782","0.0014","90","","113.623","0.001","90","","3547.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cd3 N0 O17 -","- C30 H22 Cd3 O17 -","- C120 H88 Cd12 O68 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0507","0.037","","","0.1361","0.1484","","","","","","1.055","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218449","10.0131","0.0012","24.639","0.003","13.7618","0.0016","90","","109.151","0.002","90","","3207.3","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cd3 N2 O13 -","- C34 H20 Cd3 N2 O13 -","- C136 H80 Cd12 N8 O52 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.089","0.0488","","","0.1064","0.1372","","","","","","1.003","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218450","10.0418","0.0012","9.7038","0.0012","26.051","0.003","90","","95.109","0.002","90","","2528.4","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C54 H46 Cd3 N8 O18 -","- C54 H46 Cd3 N8 O18 -","- C108 H92 Cd6 N16 O36 -","2","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0893","0.0574","","","0.1065","0.1284","","","","","","1.015","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218451","12.9802","0.0003","8.1449","0.00018","14.5848","0.0003","90","","90","","90","","1541.94","0.06","100","","100","","","","","","","","Reagents obtained from Sigma Aldrich and Alfa Aesar","4","P b c a","-P 2ac 2ab","61","","Acetonitrilocopper(I) tricyanomethanide","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C48 H24 Cu8 N32 -","8","1","","Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L.","Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework","CrystEngComm","2015","17","2","361","369","10.1039/c4ce01572j","","","1.54184","CuKα","","0.0229","0.0199","","0.0542","0.0524","0.0542","","","","","","0.9951","","","","has coordinates","274642","2022-04-22","16:43:09",""
"7218452","5.708","0.005","10.8436","0.001","14.131","0.014","96.952","0.019","93.91","0.02","90.07","0.02","866.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Bromomandelic Acid","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.107","0.0717","","","0.1576","0.1788","","","","","","1.204","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218453","8.1888","0.0012","10.1998","0.0014","9.2654","0.0012","90","","92.709","0.007","90","","773.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0847","0.0602","","","0.1587","0.1743","","","","","","1.061","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218454","5.805","0.003","10.732","0.006","13.969","0.007","96.527","0.013","92.909","0.013","90.058","0.013","863.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0799","0.0602","","","0.1284","0.136","","","","","","1.09","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218455","8.833","0.005","9.263","0.005","10.75","0.005","73.23","0.005","81.067","0.005","77.849","0.005","819.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.0653","0.0443","","","0.1082","0.1212","","","","","","1.052","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7218456","8.8529","0.0007","8.921","0.0006","10.7745","0.0008","90","","90.568","0.006","90","","850.89","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0299","0.0264","","","0.0646","0.0678","","","","","","1.064","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218457","8.8285","0.0005","9.3102","0.0007","10.4698","0.0007","92.436","0.008","90.26","0.008","94.119","0.008","857.54","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0984","0.0516","","","0.0864","0.1005","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218458","8.6521","0.0015","8.9195","0.0015","10.7309","0.0017","90","","90.9","0.006","90","","828","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0964","0.0554","","","0.1217","0.1395","","","","","","1.05","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218459","9.0086","0.0005","9.6372","0.0007","10.5702","0.0007","86.602","0.005","88.612","0.005","85.623","0.004","913.22","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-Trifluoromomandelic Acid","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C36 H28 F12 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0692","0.0543","","","0.1263","0.1326","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218460","8.1424","0.0006","10.2396","0.0007","9.3604","0.0006","90","","91.016","0.008","90","","780.3","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.1836","0.1026","","","0.2744","0.3223","","","","","","1.08","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218461","6.8488","0.0004","14.1055","0.001","15.0534","0.001","104.634","0.007","94.543","0.007","90.699","0.006","1401.87","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C48 H42 I6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0853","0.0549","","","0.1094","0.12","","","","","","1.045","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218462","8.5713","0.0005","9.3327","0.0007","10.5393","0.0007","92.391","0.006","94.241","0.006","90.556","0.006","839.96","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0798","0.0513","","","0.1175","0.1321","","","","","","1.032","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218463","19.5315","0.0014","9.741","0.0007","9.1389","0.0006","90","","101.132","0.004","90","","1706","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.113","0.0847","","","0.207","0.2205","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218464","4.9711","0.0004","14.9062","0.0012","16.792","0.0013","88.109","0.008","85.871","0.008","84.381","0.009","1234.68","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C48 H42 Cl6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.305","0.1238","","","0.2195","0.3039","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218465","9.8173","0.0005","9.692","0.0005","19.9217","0.0014","90","","90","","90","","1895.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C72 H56 F24 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.1612","0.0832","","","0.1104","0.13","","","","","","1.133","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218466","4.9583","0.0005","10.3607","0.0011","17.675","0.002","76.455","0.005","83.237","0.006","88.779","0.006","876.58","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0852","0.0615","","","0.1576","0.1692","","","","","","1.063","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218467","9.8365","0.0007","9.4215","0.0007","19.239","0.0015","90","","90","","90","","1783","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.192","0.071","","","0.1594","0.2198","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218468","20.805","0.003","15.649","0.003","5.3033","0.0007","90","","90","","90","","1726.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.1957","0.0767","","","0.1049","0.132","","","","","","0.992","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218469","18.6794","0.0013","5.1376","0.0002","9.214","0.004","90","","103.682","0.012","90","","859.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0433","0.0336","","","0.0916","0.0958","","","","","","1.098","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218470","5.0748","0.001","5.2814","0.001","15.032","0.004","91.142","0.007","92.37","0.007","111.42","0.008","374.47","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C16 H14 F2 O6 -","2","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0906","0.0616","","","0.155","0.1666","","","","","","1.116","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218471","11.622","0.005","22.213","0.005","11.896","0.005","90","0.005","112.738","0.005","90","0.005","2832.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N6 O44 Si W12 -","- C30 H24 Cu2 N6 O44 Si W12 -","- C60 H48 Cu4 N12 O88 Si2 W24 -","2","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.1126","0.0943","","","0.2013","0.2108","","","","","","1.21","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218472","16.044","0.005","21.276","0.005","11.001","0.005","90","0.005","110.46","0.005","90","0.005","3518","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H20 Cu N6 O46 Si W12 -","- C48 H20 Cu N6 O46 Si W12 -","- C96 H40 Cu2 N12 O92 Si2 W24 -","2","0.25","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.0573","0.0423","","","0.1203","0.1424","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218473","24.737","0.005","10.601","0.005","20.038","0.005","90","0.005","99.405","0.005","90","0.005","5184","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N8 O42 Si W12 -","- C24 H20 Cu N8 O42 Si W12 -","- C96 H80 Cu4 N32 O168 Si4 W48 -","4","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.055","0.0455","","","0.1095","0.1163","","","","","","1.133","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218474","8.0352","0.0002","16.1215","0.0003","20.0537","0.0004","90","","90","","90","","2597.75","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane","","- C26 H12 F8 I2 O2 -","- C26 H12 F8 I2 O2 -","- C104 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0549","0.0475","","","0.1216","0.1269","","","","","","1.069","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218475","8.9564","0.0003","13.3787","0.0004","23.5539","0.0007","90","","90","","90","","2822.35","0.15","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","(S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene","","- C32 H12 F8 I2 O2 -","- C32 H12 F8 I2 O2 -","- C128 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0928","0.0433","","","0.0899","0.1089","","","","","","1.021","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218476","11.5706","0.0004","15.5144","0.0005","16.0571","0.0006","90","","90","","90","","2882.42","0.17","150","2","150","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), triethylsulfonium iodide","","- C22 H23 F8 I3 O2 S -","- C22 H23 F8 I3 O2 S -","- C88 H92 F32 I12 O8 S4 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1416","0.1641","","","","","","1.134","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218477","13.2765","0.0002","15.9187","0.0002","14.6917","0.0002","90","","102.437","0.008","90","","3032.15","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetraethylammonium bromide","","- C24 H28 Br F8 I2 N O2 -","- C24 H28 Br F8 I2 N O2 -","- C96 H112 Br4 F32 I8 N4 O8 -","4","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0832","0.0367","","","0.0658","0.0888","","","","","","1.128","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218478","12.0074","0.001","15.2998","0.0013","41.115","0.003","90","","90","","90","","7553.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrabutylammonium bromide","","- C32 H44 Br F8 I2 N O2 -","- C32 H44 Br F8 I2 N O2 -","- C256 H352 Br8 F64 I16 N8 O16 -","8","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0995","0.0823","","","0.1761","0.1856","","","","","","1.172","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218479","9.9519","0.0003","10.6977","0.0003","30.4347","0.001","90","","90","","90","","3240.15","0.17","150","2","150","2","","","","","","","","7","P 2 2 2","P 2 2","16","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide","","- C52 H60 Br F16 I4 N O4 -","- C52 H60 Br F16 I4 N O4 -","- C104 H120 Br2 F32 I8 N2 O8 -","2","0.5","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0781","0.0568","","","0.1532","0.1711","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218480","12.809","0.002","13.372","0.002","7.3552","0.0011","90","","90","","90","","1259.8","0.3","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H17 N5 O6 -","- C8 H17 N5 O6 -","- C32 H68 N20 O24 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0643","0.0459","","","0.0806","0.0856","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218481","7.1418","0.0009","10.6881","0.0013","15.8359","0.0019","90","","92.827","0.002","90","","1207.3","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N5 O5 -","- C8 H15 N5 O5 -","- C32 H60 N20 O20 -","4","2","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0378","0.0331","","","0.0712","0.0721","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218482","7.576","0.0014","8.3143","0.0015","8.5662","0.0016","63.075","0.002","88.633","0.003","81.063","0.003","474.58","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N5 O3 -","- C6 H14 N5 O3 -","- C12 H28 N10 O6 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.045","0.0376","","","0.0991","0.1022","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218483","13.1608","0.0014","12.6922","0.0014","19.7008","0.0018","90","","120.795","0.002","90","","2826.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N20 O17 -","- C50 H58 N20 O17 -","- C100 H116 N40 O34 -","2","0.5","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0993","0.0473","","","0.0934","0.1012","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218484","8.9093","0.0016","10.772","0.002","12.425","0.002","71.502","0.003","74.311","0.003","80.732","0.003","1085","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N10 O4 -","- C20 H24 N10 O4 -","- C40 H48 N20 O8 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0678","0.0437","","","0.0781","0.086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218485","8.2558","0.0012","14.578","0.002","13.1414","0.0019","90","","102.833","0.002","90","","1542.1","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C52 H68 N20 O20 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.065","0.0414","","","0.0873","0.0928","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218486","8.0245","0.0007","13.0557","0.0011","22.2369","0.0019","87.683","0.002","82.848","0.002","73.025","0.002","2210.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C78 H102 N30 O30 -","6","3","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0916","0.0535","","","0.0895","0.0995","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218487","11.7133","0.0007","12.8357","0.0007","19.3224","0.0011","90","","90.355","0.001","90","","2905","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N10 O8 -","- C26 H30 N10 O8 -","- C104 H120 N40 O32 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.055","0.0441","","","0.1001","0.1074","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218488","9.406","0.003","11.576","0.003","11.779","0.003","90","","107.623","0.004","90","","1222.4","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N5 O2 -","- C11 H14 N5 O2 -","- C44 H56 N20 O8 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0413","0.0353","","","0.0962","0.0985","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218489","19.965","0.003","6.112","0.001","19.828","0.003","90","","111.194","0.002","90","","2255.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Nd2 O17 S2 -","- C14 H14 Nd2 O17 S2 -","- C56 H56 Nd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0191","0.0189","","","0.0509","0.0511","","","","","","1.029","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218490","19.746","0.006","6.0662","0.0019","19.785","0.006","90","","111.051","0.003","90","","2211.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Eu2 O17 S2 -","- C14 H14 Eu2 O17 S2 -","- C56 H56 Eu8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0227","0.0225","","","0.0559","0.056","","","","","","1.268","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218491","19.671","0.004","6.0556","0.0013","19.793","0.004","90","","111.098","0.002","90","","2199.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Gd2 O17 S2 -","- C14 H14 Gd2 O17 S2 -","- C56 H56 Gd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.021","0.0206","","","0.0528","0.053","","","","","","1.095","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218492","19.621","0.003","6.0421","0.0009","19.795","0.003","90","","111.09","0.001","90","","2189.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O17 S2 Tb2 -","- C14 H14 O17 S2 Tb2 -","- C56 H56 O68 S8 Tb8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0225","0.0224","","","0.058","0.058","","","","","","1.155","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218493","19.489","0.005","6.0107","0.0016","19.762","0.005","90","","111.257","0.002","90","","2157.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Ho2 O17 S2 -","- C14 H14 Ho2 O17 S2 -","- C56 H56 Ho8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0221","0.0215","","","0.0531","0.0533","","","","","","1.166","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218498","10.4896","0.0004","12.9381","0.0005","9.9423","0.0003","90","","117.876","0.003","90","","1192.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O -","- C13 H11 Br F N O -","- C52 H44 Br4 F4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.0643","0.0391","","","0.0988","0.1032","","","","","","1.062","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218499","9.5818","0.0003","11.4519","0.0003","12.5667","0.0004","109.027","0.002","94.23","0.002","105.253","0.002","1238.29","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10.5 Br Cl N O0.75 -","- C13 H10.5 Br Cl N O0.75 -","- C52 H42 Br4 Cl4 N4 O3 -","4","2","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71069","MoKα","","0.066","0.0467","","","0.1107","0.1208","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218500","7.3152","0.0006","9.7141","0.0009","10.352","0.002","68.687","0.003","86.209","0.003","68.298","0.004","634.75","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br2 N O -","- C13 H11 Br2 N O -","- C26 H22 Br4 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1223","0.0799","","","0.2424","0.2541","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218501","7.5841","0.0006","19.2894","0.0016","9.3211","0.0009","90","","105.886","0.004","90","","1311.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br I N O -","- C13 H11 Br I N O -","- C52 H44 Br4 I4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0716","0.0477","","","0.1057","0.117","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218502","7.5081","0.0003","10.494","0.0005","11.7322","0.0006","105.219","0.002","105.581","0.002","101.791","0.002","820.76","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 I4 N -","- C13 H9 I4 N -","- C26 H18 I8 N2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1399","0.1155","","","0.3405","0.3512","","","","","","1.13","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218503","7.799","0.001","9.585","0.002","9.664","0.002","68.967","0.007","70.925","0.006","83.339","0.006","637.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C28 H28 Br2 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0936","0.0611","","","0.1552","0.1689","","","","","","1.002","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218504","7.7034","0.0007","9.141","0.001","12.257","0.002","88.73","0.006","78.321","0.006","71.486","0.004","800.66","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","1","0.5","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0779","0.0586","","","0.1529","0.1666","","","","","","1.134","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218505","18.08801","0.00059","12.04679","0.00049","7.2298","0.00019","90","","90","","90","","1575.39","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","9-tert-butylacridizinium bromide monohydrate","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.021","2.552","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218507","9.4202","0.0005","16.8486","0.0006","9.1845","0.0005","90","","97.746","0.006","90","","1444.44","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(dimethylammonium)(manganese(II)-(benezenetetrasulfonate))(dimethylfornamide)","","","- C16 H32 Mn N4 O14 S4 -","- C16 H32 Mn N4 O14 S4 -","- C32 H64 Mn2 N8 O28 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0643","0.0357","","","0.0771","0.0837","","","","","","0.87","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218508","9.317","0.0007","10.4919","0.0007","19.4487","0.0012","90","","113.529","0.003","90","","1743.1","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(hydroxymethyldihydropyrrolium)(manganese(II)-(benezenetetrasulfonate))(N-methylpyrrolidone)","","","- C26 H40 Mn N4 O16 S4 -","- C26 H34 Mn N4 O16 S4 -","- C52 H68 Mn2 N8 O32 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0818","0.0501","","","0.131","0.1484","","","","","","1.029","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218509","5.143","0.0007","9.262","0.0012","9.402","0.0013","93.552","0.008","99.993","0.007","99.237","0.007","433.48","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonoc acid)(dimethylformamide)","","","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","1","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0462","0.029","","","0.0637","0.067","","","","","","0.956","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218510","9.36","0.0004","9.8494","0.0004","10.3475","0.0005","81.606","0.002","88.941","0.002","82.364","0.002","935.35","0.07","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","manganese(II)-benzenedisulfonate-dimethylacetamide","","","- C14 H22 Mn N2 O8 S2 -","- C14 H19.75 Mn N2 O8 S2 -","- C28 H39.5 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0504","0.0348","","","0.0939","0.1002","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218511","9.6297","0.0003","9.7676","0.0003","10.3423","0.0003","89.371","0.001","78.839","0.001","87.604","0.002","953.55","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C16 H22 Mn N2 O8 S2 -","- C16 H22 Mn N2 O8 S2 -","- C32 H44 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0315","0.0244","","","0.0732","0.075","","","","","","1.066","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218512","19.568","0.002","20.952","0.002","23.623","0.003","74.831","0.002","86.481","0.002","64.269","0.002","8405.6","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C14 H126 As6 Ce4 K14 Li4 N2 O264 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","1","0.5","","Li, Suzhi; Wang, Yuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","From a versatile arsenotungstate precursor to a large lanthanide-containing polyoxometalate‒carboxylate hybrid","CrystEngComm","2014","16","47","10746","","10.1039/C4CE01577K","","","0.71073","MoKα","","0.135","0.0796","","","0.1833","0.2001","","","","","","1.078","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218524","12.7505","0.0005","18.627","0.0008","20.5062","0.0005","85.451","0.003","86.386","0.003","72.095","0.004","4616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H77.61 Cd3 Cl6 N21 O1.87 -","- C99 H77.6121 Cd3 Cl6 N21 O1.8707 -","- C198 H155.224 Cd6 Cl12 N42 O3.7414 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","1.54178","CuKα","","0.0556","0.047","","","0.1235","0.1344","","","","","","1.045","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218525","33.9556","0.0012","12.561","0.0005","25.2278","0.0008","90","","123.31","0.001","90","","8992.3","0.6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cd Cl2 N10 O -","- C48 H36 Cd Cl2 N10 O -","- C384 H288 Cd8 Cl16 N80 O8 -","8","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","x-ray","0.71073","MoKα","","0.0542","0.0379","","","0.1178","0.1293","","","","","","1.052","","","","has coordinates","211178","2020-10-21","18:00:00",""
"7218526","15.7677","0.0007","18.5983","0.0008","21.5286","0.0012","115.511","0.001","90.072","0.002","114.366","0.001","5065.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 Cd3 Cl6 N20 -","- C96 H68 Cd3 Cl6 N20 -","- C192 H136 Cd6 Cl12 N40 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","0.71073","MoKα","","0.1389","0.0663","","","0.1872","0.2389","","","","","","0.834","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218527","14.4457","0.0004","14.5288","0.0003","13.7814","0.0003","90","","90","","90","","2892.42","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[I(etu)2]+ I- [I3]-","[I(2-imidazolidinethione)2]+ I- [I3]-","","- C6 H12 I3 N4 S2 -","- C6 H12 I3 N4 S2 -","- C48 H96 I24 N32 S16 -","8","1","","Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M.","Halogen bonds with coordinative nature: halogen bonding in a S‒I±-S iodonium complex","CrystEngComm","2015","17","6","1231","","10.1039/C4CE01735H","","","0.71073","MoKα","","0.0287","0.0203","","","0.0394","0.0429","","","","","","1.156","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218540","21.293","0.002","7.8312","0.0009","13.9098","0.0016","90","","109.82","0.002","90","","2182.1","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moxonidine","4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine","","- C9 H12 Cl N5 O -","- C9 H12 Cl N5 O -","- C72 H96 Cl8 N40 O8 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0656","0.064","","","0.148","0.149","","","","","","1.271","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218541","8.5413","0.001","13.2793","0.0015","24.376","0.003","90","","90","","90","","2764.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moxonidine hydrochloride monohydrate","Moxonidine hydrochloride monohydrate","","- C9 H15 Cl2 N5 O2 -","- C9 H15 Cl2 N5 O2 -","- C72 H120 Cl16 N40 O16 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0614","0.0535","","","0.1293","0.1346","","","","","","1.166","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218542","14.639","0.006","17.452","0.007","23.468","0.009","90","","90","","90","","5996","4","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 Nd O29 -","- C40 H44 Cl N26 Nd O23 -","- C160 H176 Cl4 N104 Nd4 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0841","0.0587","","","0.1414","0.1525","","","","","","1.011","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218543","14.6418","0.0017","17.407","0.002","23.369","0.003","90","","90","","90","","5956.1","1.2","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 O29 Sm -","- C40 H44 Cl N26 O23 Sm -","- C160 H176 Cl4 N104 O92 Sm4 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0536","0.0458","","","0.1248","0.1305","","","","","","1.054","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218544","14.641","0.003","17.416","0.004","23.351","0.005","90","","90","","90","","5954","2","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl Eu N26 O29 -","- C40 H44 Cl Eu N26 O23 -","- C160 H176 Cl4 Eu4 N104 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.067","0.0541","","","0.1421","0.1515","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218545","35.306","0.005","14.142","0.002","13.4153","0.0019","90","","90","","90","","6698.2","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Gd N26 O40 -","- C40 H44 Cl Gd N26 O25 -","- C160 H176 Cl4 Gd4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.076","0.0631","","","0.148","0.1542","","","","","","1.109","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218546","35.381","0.003","14.2066","0.0013","13.4355","0.0013","90","","90","","90","","6753.3","1.1","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl N26 O40 Tb -","- C40 H44 Cl N26 O25 Tb -","- C160 H176 Cl4 N104 O100 Tb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1495","","","","","","1.084","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218547","35.375","0.004","14.1652","0.0017","13.4397","0.0016","90","","90","","90","","6734.6","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Dy N26 O40 -","- C40 H44 Cl Dy N26 O25 -","- C160 H176 Cl4 Dy4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0729","0.0503","","","0.1349","0.1441","","","","","","1.052","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218548","35.361","0.005","14.168","0.002","13.4332","0.0019","90","","90","","90","","6730","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Ho N26 O40 -","- C40 H44 Cl Ho N26 O25 -","- C160 H176 Cl4 Ho4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0794","0.0527","","","0.1438","0.154","","","","","","1.053","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218549","35.37","0.004","14.161","0.0017","13.4086","0.0016","90","","90","","90","","6716","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Er N26 O39 -","- C40 H44 Cl Er N26 O25 -","- C160 H176 Cl4 Er4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.072","0.0552","","","0.1323","0.1396","","","","","","1.119","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218550","35.285","0.005","14.1423","0.0019","13.3923","0.0018","90","","90","","90","","6682.9","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H90 Cl N26 O41 Tm -","- C40 H44 Cl N26 O25 Tm -","- C160 H176 Cl4 N104 O100 Tm4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0818","0.0533","","","0.144","0.1542","","","","","","1.05","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218551","35.396","0.004","14.1853","0.0018","13.4031","0.0017","90","","90","","90","","6729.7","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H84 Cl N26 O38 Yb -","- C40 H44 Cl N26 O25 Yb -","- C160 H176 Cl4 N104 O100 Yb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0665","0.0445","","","0.1268","0.1366","","","","","","1.073","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218552","35.247","0.013","14.129","0.005","13.384","0.005","90","","90","","90","","6665","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Lu N26 O39 -","- C40 H44 Cl Lu N26 O25 -","- C160 H176 Cl4 Lu4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0805","0.0475","","","0.1387","0.1512","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218557","14.5118","0.0003","12.1374","0.0002","7.54977","0.00011","90","","91.1131","0.001","90","","1329.53","0.04","298","2","298","","","","100","","","","LASSBio","5","P 1 21/c 1","-P 2ybc","14","LASSBio-1289","(E)-N-methyl-N'-(thiophen-3-ylm-ethylene)benzo[d][1,3]dioxole-5-carbohydrazide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Sato, Juliana Alves Pereira; Costa, Fanny Nascimento; da Rocha, Miguel Divino; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour; Punzo, Francesco; Ferreira, Fabio Furlan","Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative","CrystEngComm","2015","17","1","165","","10.1039/C4CE02011A","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0062","1.161","","","","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218560","9.072","0.0018","13.14","0.003","30.7","0.006","92.72","0.03","90.2","0.03","90.01","0.03","3655.5","1.3","293","1","100","","","","","","","","","5","P -1","-P 1","2","Y85","","","- C70 H78 Cd2 N14 O16 -","- C70 H78 Cd2 N14 O16 -","- C140 H156 Cd4 N28 O32 -","2","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","Synchrotron","","0.0953","0.0872","","","0.2533","0.2594","","","","","","1.158","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218561","15.5064","0.001","11.7116","0.0008","29.7359","0.0019","90","","103.601","0.0012","90","","5248.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd N3 O6 -","- C24 H16 Cd N2 O5 -","- C192 H128 Cd8 N16 O40 -","8","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","MoKα","","0.0569","0.0334","","","0.0647","0.0682","","","","","","0.998","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218565","10.331","0.004","7.626","0.003","28.392","0.011","90","","90","","90","","2236.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C96 H56 N8 O16 S16 -","8","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0825","","","0.254","0.2621","","","","","","1.077","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218566","11.228","0.004","5.689","0.002","17.281","0.007","90","","94.745","0.006","90","","1100.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C48 H28 N4 O8 S8 -","4","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0437","","","0.1191","0.1225","","","","","","1.043","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218567","12.993","0.006","10.604","0.004","12.69","0.006","90","","116.119","0.007","90","","1569.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cd Cl N7 O6 -","- C10 H6 Cd Cl N7 O6 -","- C40 H24 Cd4 Cl4 N28 O24 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0554","0.0406","","","0.1201","0.1539","","","","","","0.992","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218568","16.646","0.009","29.783","0.016","17.274","0.009","90","","90","","90","","8564","8","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H22 Cd4 N14 O14 -","- C30 H22 Cd4 N14 O14 -","- C240 H176 Cd32 N112 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0614","0.0578","","","0.1732","0.1795","","","","","","1.081","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218569","25.901","0.006","12.953","0.003","36.822","0.008","90","","110.234","0.003","90","","11591","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cd4 N21 O14 -","- C50 H27 Cd4 N21 O14 -","- C400 H216 Cd32 N168 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0562","0.0407","","","0.121","0.1431","","","","","","1.034","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218570","12.994","","16.0641","0.0001","17.3404","0.0004","114.882","0.006","98.214","0.01","102.015","0.008","3101.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","1","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0312","0.027","","","0.0827","0.0926","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218571","9.852","0.003","10.626","0.003","14.145","0.005","82.691","0.008","88.688","0.011","72.313","0.008","1399.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H9 N7 O19 Zn2 -","- C22 H9 N7 O19 Zn2 -","- C44 H18 N14 O38 Zn4 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0368","0.0344","","","0.1002","0.1063","","","","","","1.072","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218580","16.381","0.003","14.17","0.003","19.415","0.004","90","","104.25","0.03","90","","4367.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 N8 O9 Zn -","- C30.4 H29.2 N5.8 O6.8 Zn -","- C121.6 H116.8 N23.2 O27.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1336","0.0905","","","0.245","0.2956","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218581","14.529","0.002","16.543","0.002","21.125","0.003","90","","104.305","0.009","90","","4920","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 N9 O10 Zn -","- C26.9 H18 N5.3 O6.3 Zn -","- C107.6 H72 N21.2 O25.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1688","0.1026","","","0.2844","0.3282","","","","","","1.098","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218582","15.1431","0.0006","15.2322","0.0006","16.0597","0.0004","98.484","0.002","102.682","0.002","104.206","0.003","3423.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H67 N9 O15 Zn2 -","- C44.4 H25 N4.8 O10.8 Zn2 -","- C88.8 H50 N9.6 O21.6 Zn4 -","2","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.0759","0.0662","","","0.2062","0.2157","","","","","","1.062","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218583","19.722","0.0005","28.0588","0.0006","28.0835","0.0004","90","","94.423","0.002","90","","15494.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 N12 O18 Zn2 -","- C42.25 H26 N4.75 O10.75 Zn2 -","- C338 H208 N38 O86 Zn16 -","8","2","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1393","0.0812","","","0.248","0.2952","","","","","","1.054","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218604","14.462","0.002","15.486","0.003","7.4899","0.0012","90","","96.971","0.003","90","","1665","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H11 Co N3 O8 -","- C14 H9 Co N3 O8 -","- C56 H36 Co4 N12 O32 -","4","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0897","0.0642","","","0.1755","0.194","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218605","5.8488","0.0013","16.227","0.004","13.164","0.003","90","","91.507","0.003","90","","1248.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C48 H32 Cu4 N8 O28 -","4","1","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0656","0.0408","","","0.1228","0.1756","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218606","9.3276","0.001","11.9664","0.0013","19.099","0.002","90","","92.947","0.002","90","","2129","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cu2 N8 O12 -","- C48 H28 Cu2 N8 O12 -","- C96 H56 Cu4 N16 O24 -","2","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0659","0.041","","","0.0877","0.0978","","","","","","1.002","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218607","9.213","0.002","12.19","0.003","12.635","0.003","109.362","0.004","109.077","0.004","91.212","0.004","1251.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0538","0.045","","","0.133","0.1567","","","","","","1.052","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218608","9.357","0.004","11.325","0.005","12.54","0.005","64.338","0.006","69.757","0.006","75.003","0.006","1114.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0741","0.0559","","","0.1643","0.2373","","","","","","1.028","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218609","18.562","0.0011","3.732","0.0002","18.568","0.0012","90","","93.993","0.006","90","","1283.15","0.13","101.15","0.1","101.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.072612","0.051566","","","","0.134828","","","","","","1.07268","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218610","6.2436","0.0009","8.4577","0.0012","12.3655","0.0017","90","","100.198","0.015","90","","642.66","0.16","102.45","0.1","102.45","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.069918","0.056788","","","","0.168259","","","","","","1.05859","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218611","14.8424","0.0019","6.6238","0.0009","11.7467","0.0018","90","","90","","90","","1154.9","0.3","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.4 Fe N4.6 O1.6 -","- C6 H5 Fe N4 O -","- C24 H20 Fe4 N16 O4 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","","","0.71073","MoKα","","0.0774","0.0475","","","0.1077","0.1165","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218612","14.8281","0.0016","6.4872","0.0005","11.3503","0.0012","90","","90","","90","","1091.82","0.19","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C6 H9 Ga N4 O3 -","- C6 Ga N4 O3 -","- C24 Ga4 N16 O12 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","powder diffraction","","1.5418","CuKα","","0.0683","0.0683","","0.0962","0.0962","","","","3.02","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218646","11.082","0.002","9.182","0.001","16.959","0.002","90","","92.36","0.01","90","","1724.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H20.4 La O13.2 -","- C9 H15 La O13.2 -","- C36 H60 La4 O52.8 -","4","1","","Michaelides, Adonis; Aravia, Maria; Siskos, Michael G.; Skoulika, Stavroula","Photochemical reactivity of a lamellar lanthanum MOF","CrystEngComm","2015","17","1","124","","10.1039/C4CE01396D","","","0.71073","MoKα","","0.054","0.0407","","","0.0996","0.1077","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218656","10.6688","0.0003","11.4952","0.0003","12.9734","0.0003","90","","106.722","0.001","90","","1523.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N4 O -","- C14 H15 Cu N4 O -","- C56 H60 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0458","0.0327","","","0.0843","0.0913","","","","","","1.035","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218657","9.4249","0.0002","14.2699","0.0004","11.4988","0.0003","90","","100.705","0.001","90","","1519.59","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N5 O -","- C14 H16 Cu N5 O -","- C56 H64 Cu4 N20 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0404","0.0341","","","0.0973","0.1021","","","","","","1.077","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218658","10.5252","0.0002","11.1791","0.0002","13.0198","0.0002","90","","106.232","0.001","90","","1470.87","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N4 O -","- C15 H17 Cu N4 O -","- C60 H68 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0339","0.0281","","","0.0723","0.0757","","","","","","1.054","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218659","20.8634","0.0007","21.3369","0.0008","22.7994","0.0008","90","","98.646","0.002","90","","10034","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cu4 N16 O2 -","- C46 H36 Cu4 N16 O2 -","- C368 H288 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1056","0.0595","","","0.1588","0.1776","","","","","","1.031","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218660","20.8705","0.0003","21.3742","0.0003","22.7059","0.0003","90","","99.182","0.001","90","","9999.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cu4 N16 O2 -","- C48 H42 Cu4 N16 O2 -","- C384 H336 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0414","","","0.1065","0.1176","","","","","","1.039","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218661","21.0123","0.0005","21.4061","0.0005","22.6642","0.0005","90","","99.495","0.001","90","","10054.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cu4 N16 O2 -","- C52 H48 Cu4 N16 O2 -","- C416 H384 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0904","0.0578","","","0.1527","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218662","16.2527","0.0009","12.3588","0.0008","17.4471","0.001","90","","114.657","0.003","90","","3185","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 B Cu3 F4 N8 O3 -","- C24 H18 B Cu3 F4 N8 O3 -","- C96 H72 B4 Cu12 F16 N32 O12 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1028","0.0629","","","0.1825","0.209","","","","","","1.044","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218663","16.2717","0.0002","12.6684","0.0002","17.6021","0.0002","90","","112.523","0.001","90","","3351.68","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl Cu3 N8 O5 -","- C24 H18 Cl Cu3 N8 O5 -","- C96 H72 Cl4 Cu12 N32 O20 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0457","","","0.1423","0.1562","","","","","","1.05","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218664","27.319","0.003","8.7331","0.0007","55.699","0.008","90","","95.685","0.009","90","","13223","3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Hexamethylenetetramine 5,10,15,20-tetra(perfluoro-4'-iodophenyl)porphyrin","","- C50 H22 F16 I4 N8 -","- C50 H22 F16 I4 N8 -","- C400 H176 F128 I32 N64 -","8","2","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.1201","0.0565","","","0.0818","0.1058","","","","","","0.992","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218665","5.8849","0.0013","24.903","0.003","6.2247","0.0008","90","","98.864","0.011","90","","901.3","0.3","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","","Hexamethylenetetramine 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N4 -","- C12 H12 F3 I3 N4 -","- C24 H24 F6 I6 N8 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0337","0.0292","","","0.0683","0.0699","","","","","","1.043","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218666","6.2751","0.0003","23.2198","0.0011","11.8609","0.0006","90","","103.297","0.005","90","","1681.88","0.15","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo(2.2.2)octane 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N2 -","- C12 H12 F3 I3 N2 -","- C48 H48 F12 I12 N8 -","4","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0576","0.0342","","","0.0784","0.0972","","","","","","1.089","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218667","4.114","0.0008","9.071","0.0009","24.104","0.005","90","","91.621","0.019","90","","899.2","0.3","250","2","250","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3,5-Trifluoro-2,4,6-tri-iodobenzene 4,4'-bipyridine","","- C16 H8 F3 I3 N2 -","- C16 H8 F3 I3 N2 -","- C32 H16 F6 I6 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0725","0.0566","","","0.1403","0.1488","","","","","","1.07","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218668","6.8359","0.0004","10.9401","0.0006","11.4732","0.0007","107.204","0.005","92.82","0.006","105.33","0.004","782.88","0.09","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo(2.2.2)octane tetrafluoro-1,4-diiodobenzene","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C24 H24 F8 I4 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.068","0.0337","","","0.0667","0.0756","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218669","14.6834","0.0014","14.9015","0.0014","20.0367","0.0018","90","","107.315","0.001","90","","4185.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Ag15 F6 N3 O4 -","- C67 H90 Ag15 F6 N3 O4 -","- C134 H180 Ag30 F12 N6 O8 -","2","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Yan, Li-Kai; Shao, Kui-Zhan; Su, Zhong-Min","Ag(i)-mediated formation of a 2D cyano-bridged multinuclear silver(i) alkynyl network coupled with the C‒C bond cleavage of acetonitrile","CrystEngComm","2014","16","45","10376","","10.1039/C4CE01707B","","","0.71073","MoKα","","0.0991","0.0553","","","0.1356","0.1572","","","","","","1.028","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218670","9.733","0.004","9.733","0.004","74.51","0.02","90","","90","","90","","7058","5","333","2","333","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2577","0.0474","","","0.0767","0.0875","","","","","","0.935","","","","has coordinates,has disorder","288536","2023-12-24","00:28:32",""
"7218671","9.401","0.004","9.981","0.004","74.39","0.04","91.03","0.04","89.57","0.04","89.71","0.04","6979","6","260","2","260","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2171","0.0523","","","0.0871","0.0992","","","","","","0.995","","","","has coordinates","288536","2023-12-24","00:28:33",""
"7218672","9.6621","0.0002","9.6621","0.0002","74.3763","0.0015","90","","90","","90","","6943.5","0.2","260","2","260","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.0769","0.0497","","","0.1294","0.1581","","","","","","0.925","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218673","9.5178","0.0009","74.375","0.005","9.7697","0.0011","90","","90.326","0.01","90","","6915.7","1.1","220","2","220","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate (II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.5","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.1534","0.1108","","","0.276","0.3274","","","","","","1.043","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218674","17.001","0.0019","19.633","0.002","23.109","0.004","90","","90","","90","","7713.3","1.8","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H15 Mn N3 O5 -","- C12 H6 Mn N2 O4 -","- C192 H96 Mn16 N32 O64 -","16","0.5","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.1079","0.075","","","0.2098","0.2325","","","","","","1.105","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218675","24.755","0.003","24.755","0.003","24.755","0.003","90","","90","","90","","15170","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C16 H20 Co N2 O7 S2 -","- C14 H12 Co N2 O5 S -","- C336 H288 Co24 N48 O120 S24 -","24","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.135","0.0885","","","0.2191","0.2466","","","","","","1.078","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218676","11.9082","0.001","8.3277","0.0007","12.7165","0.0011","90","","97.361","0.002","90","","1250.68","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Co N2 O6 -","- C12 H8 Co N2 O6 -","- C48 H32 Co4 N8 O24 -","4","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.0278","0.0264","","","0.0714","0.0724","","","","","","1.095","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218680","9.4847","0.0002","16.2433","0.0003","16.9867","0.0003","97.456","0.001","101.802","0.002","102.069","0.002","2464.05","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37.33 Cl5 Co N6 O3.67 -","- C14 H37.33 Cl5 Co N6 O3.665 -","- C56 H149.32 Cl20 Co4 N24 O14.66 -","4","2","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0337","0.0286","","","0.0727","0.0755","","","","","","1.004","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218681","9.7649","0.0004","27.6067","0.0008","9.5645","0.0004","90","","117.183","0.005","90","","2293.59","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H70 Br Cl9 Co2 N12 O5 -","- C28 H70 Br Cl9 Co2 N12 O5 -","- C56 H140 Br2 Cl18 Co4 N24 O10 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0873","0.0543","","","0.1532","0.1622","","","","","","1.019","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218682","8.9691","0.0001","15.3233","0.0002","16.3516","0.0002","90","","90","","90","","2247.3","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H35 Cl3 Co N7 O5 -","- C14 H35 Cl3 Co N7 O5 -","- C56 H140 Cl12 Co4 N28 O20 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0345","0.0326","","","0.0872","0.0884","","","","","","1.005","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218703","11.629","0.004","17.902","0.005","12.38","0.004","90","","109.051","0.006","90","","2436.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0458","0.039","","","0.1292","0.1428","","","","","","1.041","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218704","17.573","0.007","16.528","0.007","17.595","0.008","90","","90","","90","","5110","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H52 Cd Cl2 N16 O12 -","- C42 H52 Cd Cl2 N16 O12 -","- C168 H208 Cd4 Cl8 N64 O48 -","4","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0976","0.085","","","0.1982","0.2095","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218705","10.056","0.002","10.955","0.002","11.676","0.002","113","0.03","97.99","0.03","92.39","0.03","1166","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cd Cl N3 O4 -","- C25 H20 Cd Cl N3 O4 -","- C50 H40 Cd2 Cl2 N6 O8 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0282","0.0236","","","0.051","0.0531","","","","","","1.055","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218706","20.66","0.004","20.899","0.004","18.58","0.004","90","","102.46","0.03","90","","7833","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H138 Cd4 N20 O33 -","- C164 H138 Cd4 N20 O33 -","- C328 H276 Cd8 N40 O66 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0616","0.0354","","","0.0775","0.092","","","","","","1.016","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218707","9.809","0.002","15.607","0.003","16.604","0.003","81.76","0.03","88.16","0.03","72.57","0.03","2400","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 Cd N6 O9 -","- C51 H40 Cd N6 O9 -","- C102 H80 Cd2 N12 O18 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.037","0.0339","","","0.1049","0.108","","","","","","1.08","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218708","9.976","0.002","10.462","0.002","10.933","0.002","81.98","0.03","67.17","0.03","84.87","0.03","1040.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N3 O5 -","- C23 H16 Cd N3 O5 -","- C46 H32 Cd2 N6 O10 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0187","0.0177","","","0.0479","0.0488","","","","","","1.067","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218709","9.82","0.002","11.519","0.002","16.954","0.003","101.25","0.03","97.92","0.03","96.46","0.03","1843.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cd N5 O7 -","- C41 H32 Cd N5 O7 -","- C82 H64 Cd2 N10 O14 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0548","0.0421","","","0.1017","0.1155","","","","","","1.065","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218710","12.458","0.003","13.915","0.003","14.341","0.003","74.555","0.003","85.531","0.003","89.871","0.002","2388.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 H40 Mo10 O56 Sm2 -","- Co2 Mo10 O56 Sm2 -","- Co4 Mo20 O112 Sm4 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0478","0.0384","","","0.0981","0.1039","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218711","12.36","0.004","13.803","0.004","14.183","0.004","74.436","0.005","85.442","0.005","89.734","0.005","2323.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 Eu2 H40 Mo10 O56 -","- Co2 Eu2 Mo10 O56 -","- Co4 Eu4 Mo20 O112 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.1363","0.0977","","","0.2268","0.2496","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218712","10.5118","0.0005","18.6632","0.0008","12.219","0.0006","90","","114.115","0.002","90","","2187.96","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Sm -","- Co2 Mo10 N3 O50 Sm -","- Co4 Mo20 N6 O100 Sm2 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0283","0.028","","","0.0743","0.0745","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218713","10.5122","0.0005","18.6663","0.0009","12.2157","0.0006","90","","114.06","0.002","90","","2188.76","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Eu H40 Mo10 N3 O50 -","- Co2 Eu Mo10 N3 O50 -","- Co4 Eu2 Mo20 N6 O100 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0302","0.0301","","","0.0812","0.0813","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218714","13.78516","0.00008","14.11066","0.00008","15.45815","0.00009","90","","101.358","0.0005","90","","2948","0.03","120","2","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex of Zn-acetate with (E)-3-{[2-(2-aminoethyl)pyridine]- phenylmethylidene}-1,4-dihydro-2H-1-phenylpyrrolo[2,3-b]quinoxalin- 2-one and acetonitrile solvent molecules in the ratio 1:1:1","","- C34 H28 N6 O3 Zn -","- C34 H28 N6 O3 Zn -","- C136 H112 N24 O12 Zn4 -","4","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0391","0.039","","","0.1064","0.1064","","","","","","1.091","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218715","12.65632","0.00009","19.63117","0.00011","19.20284","0.00011","90","","97.3451","0.0006","90","","4731.96","0.05","120.05","0.1","120.05","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C240 H184 N40 O8 -","8","2","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0279","0.0277","","","0.0723","0.0725","","","","","","1.036","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218716","5.75094","0.00003","17.80093","0.00008","11.63481","0.00006","90","","98.7275","0.0005","90","","1177.29","0.01","119.9","0.2","119.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172","","- C30 H24.32 N5 O1.66 -","- C30 H24.322 N5 O1.661 -","- C60 H48.644 N10 O3.322 -","2","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0366","0.0366","","","0.0949","0.0949","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218717","5.2497","0.0003","49.977","0.002","7.6897","0.0005","90","","104.573","0.006","90","","1952.6","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melatoninpimelic acid cocrystal","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Thermodynamics and preliminary pharmaceutical characterization of a melatonin‒pimelic acid cocrystal prepared by a melt crystallization method","CrystEngComm","2015","17","3","612","","10.1039/C4CE01921K","","","1.54184","CuKα","","0.0623","0.0498","","","0.116","0.1225","","","","","","1.123","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218732","13.741","0.0006","13.741","0.0006","13.4117","0.0012","90","","90","","90","","2532.3","0.3","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C24 H36 Cs2 O32 Sr U4 -","- C24 H36 Cs2 O32 Sr U4 -","- C48 H72 Cs4 O64 Sr2 U8 -","2","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0423","0.0346","","","0.0616","0.0632","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218733","17.212","0.003","17.212","0.003","28.578","0.007","90","","90","","90","","8466","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H82 O62 Sr3 U6 -","- C36 H82 O62 Sr3 U6 -","- C144 H328 O248 Sr12 U24 -","4","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0818","0.0792","","","0.1829","0.184","","","","","","1.593","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218734","13.4543","0.001","18.4479","0.0014","16.4994","0.0012","90","","90","","90","","4095.2","0.5","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H54 O22 Sr U2 -","- C24 H54 O22 Sr U2 -","- C96 H216 O88 Sr4 U8 -","4","1","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0773","0.0485","","","0.0912","0.1025","","","","","","1.014","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218742","6.2212","0.0003","6.4416","0.0003","12.32","0.0006","96.924","0.004","103.818","0.004","97.07","0.004","469.99","0.04","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C14 H4 S12 -","1","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0937","0.0418","","","0.0797","0.0942","","","","","","0.928","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218743","6.4084","0.0004","17.7164","0.0012","9.0918","0.0006","90","","109.547","0.004","90","","972.74","0.11","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C28 H8 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0786","0.0386","","","0.061","0.0684","","","","","","0.814","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218744","11.955","0.002","5.8261","0.001","29.396","0.005","90","","90.861","0.002","90","","2047.2","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BEDT-TTP","","","- C14 H8 S12 -","- C14 H8 S12 -","- C56 H32 S48 -","4","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0663","0.0536","","","0.1305","0.1361","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218745","6.4227","0.0004","9.4246","0.0005","16.9326","0.0009","83.89","0.003","81.735","0.003","70.108","0.003","951.97","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","EMDT-TTP","","","- C13 H6 S12 -","- C13 H6 S12 -","- C26 H12 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71069","MoKα","","0.0797","0.0572","","","0.1241","0.1336","","","","","","0.906","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218746","6.4572","0.0001","19.2326","0.0002","24.0962","0.0002","90","","97.446","0.001","90","","2967.24","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S12 -","- C14 H6 S12 -","- C84 H36 S72 -","6","1.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0717","0.0377","","","0.0836","0.0908","","","","","","0.909","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218757","8.241","0.002","9.61","0.003","9.79","0.003","87.334","0.009","71.536","0.008","84.334","0.009","731.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C34 H32 N4 S2 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0484","0.0387","","","0.0847","0.0884","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218758","9.1048","0.0019","7.4536","0.0015","23.795","0.005","90","","95.952","0.004","90","","1606.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.059","0.0495","","","0.115","0.1218","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218759","5.9539","0.0012","7.3758","0.0015","22.019","0.005","90","","91.787","0.003","90","","966.5","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0479","0.0398","","","0.0955","0.0996","","","","","","1","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218760","8.7434","0.0013","13.538","0.002","17.321","0.003","88.079","0.005","84.857","0.005","77.108","0.005","1990.3","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","2","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0844","0.0599","","","0.1246","0.1395","","","","","","0.999","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218761","5.9789","0.0015","7.3765","0.0018","43.952","0.011","90","","91.422","0.004","90","","1937.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0993","0.0892","","","0.2023","0.2094","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218771","10.11","0.002","10.525","0.002","12.221","0.002","77.69","0.03","81.26","0.03","82.69","0.03","1249.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid (bis) caffeine co-crystal","","- C24 H28 N8 O8 -","- C24 H28 N8 O8 -","- C48 H56 N16 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0782","0.0542","","","0.1448","0.1605","","","","","","1.033","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218772","11.2741","0.0006","15.7712","0.001","13.3746","0.0008","90","","90.572","0.002","90","","2378","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(bis) vanillic acid theophylline co-crystal","","- C23 H23 N4 O10 -","- C23 H23 N4 O10 -","- C92 H92 N16 O40 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0653","0.047","","","0.1195","0.1299","","","","","","1.047","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218773","8.2148","0.0016","8.2504","0.0017","13.132","0.003","102.82","0.03","97.46","0.03","93.98","0.03","856","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid theobromine co-crystal dihydrate","","- C15 H20 N4 O8 -","- C15 H20 N4 O8 -","- C30 H40 N8 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0609","0.0415","","","0.1045","0.1156","","","","","","1.027","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218774","8.469","0.0017","22.621","0.005","8.9534","0.0018","90","","90.68","0.03","90","","1715.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanillic acid acridine co-crystal","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.1092","0.0511","","","0.1057","0.1276","","","","","","0.965","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218775","4.8723","0.001","8.0058","0.0016","18.018","0.004","78.85","0.03","84.5","0.03","75.62","0.03","667.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid nicotinamide co-crystal","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0678","0.0442","","","0.1042","0.1164","","","","","","1.005","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218776","7.9","0.0016","13.196","0.003","13.735","0.003","85.02","0.03","85.32","0.03","78.68","0.03","1395.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis)vanillic acid (bis)isonicotinamide dihydrate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0967","0.0511","","","0.1183","0.1414","","","","","","1.021","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218777","6.9821","0.0014","10.232","0.002","15.388","0.003","99.68","0.03","95.37","0.03","103.46","0.03","1043.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis) vanillic acid (bis) urea","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0845","0.0474","","","0.1024","0.1191","","","","","","0.969","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218791","20.6425","0.0014","8.8968","0.0006","11.2958","0.001","90","","104.4","0.004","90","","2009.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4(4-phenyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C21 H18 N4 O3 S -","- C21 H18 N4 O3 S -","- C84 H72 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.09093","","1.22","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218792","22.203","0.0018","8.9419","0.0007","11.2575","0.001","90","","103.79","0.006","90","","2170.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4-(4-p-tolyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.0523","","1.4","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218793","21.5451","0.0013","10.1672","0.0007","10.6966","0.001","90","","103.713","0.005","90","","2276.3","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazole-1-yl)-2-phenoxyphenyl)methanesulfonamide","","- C23 H21 Cl N4 O4 S -","- C23 H21 Cl N4 O4 S -","- C92 H84 Cl4 N16 O16 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.13976","","1.49","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218794","9.3395","0.0003","12.6055","0.0004","16.7998","0.0006","87.865","0.002","76.551","0.002","73.18","0.002","1840.33","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Ag2 F10 N4 O7 S2 -","- C28 H24 Ag2 F10 N4 O7 S2 -","- C56 H48 Ag4 F20 N8 O14 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.085","0.0579","","","0.1534","0.1765","","","","","","1.026","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218795","10.6624","0.001","13.8203","0.001","12.4355","0.001","90","","109.075","0.004","90","","1731.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Ag2 N4 O11 S2 -","- C25 H36 Ag2 N4 O11 S2 -","- C50 H72 Ag4 N8 O22 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1597","0.0729","","","0.1883","0.2336","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218796","11.2445","0.0004","13.1403","0.0004","13.7311","0.0005","77.007","0.002","77.419","0.002","68.795","0.002","1822.13","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Ag2 F6 N4 O6 S2 -","- C29 H28 Ag2 F6 N4 O6 S2 -","- C58 H56 Ag4 F12 N8 O12 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1116","0.0646","","","0.1774","0.2056","","","","","","1.048","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218797","22.109","0.016","18.66","0.014","18.8","0.02","90","","115.532","0.018","90","","6999","10","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 N4 O9 S2 -","- C30 H40 Ag2 N4 O9 S2 -","- C240 H320 Ag16 N32 O72 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2169","0.0866","","","0.1918","0.2564","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7218798","8.0768","0.0004","9.1756","0.0005","11.7609","0.0006","96.798","0.004","93.784","0.003","111.74","0.003","798.19","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Ag N2 O4 S -","- C15 H16 Ag N2 O4 S -","- C30 H32 Ag2 N4 O8 S2 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0603","0.0496","","","0.13","0.1375","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218799","26.2359","0.0013","9.2864","0.0005","17.9373","0.0009","90","","130.057","0.003","90","","3345","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag N2 O3 S -","- C18 H16 Ag N2 O3 S -","- C144 H128 Ag8 N16 O24 S8 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0569","0.0366","","","0.0837","0.0927","","","","","","1.057","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218800","10.775","0.003","8.596","0.002","16.451","0.005","90","","123.909","0.011","90","","1264.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag N3 O3 S -","- C11 H10 Ag N3 O3 S -","- C44 H40 Ag4 N12 O12 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1294","0.0588","","","0.1431","0.172","","","","","","0.969","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218801","13.647","0.0019","6.7053","0.0012","14.644","0.003","90","","91.048","0.009","90","","1339.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag B F4 N2 S -","- C11 H10 Ag B F4 N2 S -","- C44 H40 Ag4 B4 F16 N8 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0687","0.0495","","","0.1575","0.1699","","","","","","1.118","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218802","13.8424","0.0006","16.8817","0.0008","13.4428","0.0006","90","","90","","90","","3141.4","0.2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Ag F3 N2 O3.5 S2 -","- C12 H10 Ag F3 N2 O3.5 S2 -","- C96 H80 Ag8 F24 N16 O28 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0663","0.0482","","","0.1218","0.1332","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218803","10.267","0.004","12.136","0.006","22.648","0.01","102.16","0.03","95.99","0.03","102.8","0.03","2656","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Ag3 N6 O9.25 S3 -","- C39 H35 Ag3 N6 O9.25 S3 -","- C78 H70 Ag6 N12 O18.5 S6 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2515","0.1096","","","0.2943","0.3996","","","","","","1.023","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218804","12.7515","0.0007","13.5858","0.0007","21.4957","0.0014","107.207","0.005","99.278","0.005","103.727","0.005","3346.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H55 N0 O37 -","- C59 H55 O36.926 -","- C118 H110 O73.852 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.096","0.084","","","0.2469","0.2611","","","","","","1.039","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218805","17.0487","0.0009","21.1862","0.0008","24.7335","0.001","76.225","0.003","80.707","0.004","85.563","0.004","8555.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H152 N6 O84 -","- C155 H155 N6 O83.906 -","- C310 H310 N12 O167.812 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.2314","0.1455","","","0.3515","0.4271","","","","","","1.061","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218806","5.2426","0.0008","11.965","0.002","12.256","0.002","75.126","0.011","87.661","0.01","83.717","0.011","738.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ADI","","","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0741","0.0398","","","0.0874","0.1007","","","","","","1.006","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218807","5.0909","0.0004","5.4368","0.0005","20.3002","0.0017","88.781","0.005","83.38","0.005","86.981","0.006","557.29","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0486","0.0368","","","0.0954","0.1017","","","","","","1.054","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218808","5.063","0.0011","10.312","0.003","12.716","0.003","92.328","0.016","101.006","0.015","92.647","0.017","650.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C22 H22 N6 O14 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.1122","0.0816","","","0.2465","0.2609","","","","","","1.183","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218809","5.4495","0.0002","11.784","0.0003","12.025","0.0004","117.195","0.002","93.573","0.002","96.119","0.002","677.53","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C22 H26 N6 O16 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0516","0.0342","","","0.0774","0.0847","","","","","","1.031","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218810","11.189","0.002","6.536","0.0013","21.527","0.004","90","","102.41","0.03","90","","1537.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-methyl-benzenesulfonamide","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0683","0.0468","","","0.1523","0.1609","","","","","","1.03","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218811","11.977","0.001","10.516","0.001","11.29","0.001","90","","90","","90","","1422","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Adamantan-1-yl-benzenesulfonamide","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0328","0.0298","","","0.0721","0.0734","","","","","","1.068","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218812","11.051","0.0004","6.4458","0.0003","21.466","0.0008","90","","102.427","0.003","90","","1493.25","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-chloro-benzenesulfonamide","","- C16 H20 Cl N O2 S -","- C16 H20 Cl N O2 S -","- C64 H80 Cl4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0439","0.0361","","","0.0874","0.0924","","","","","","1.067","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218813","10.8028","0.0003","11.6083","0.0003","14.0725","0.0004","90","","95.824","0.003","90","","1755.61","0.08","100.01","0.18","100.01","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-methyl-benzenesulfonamide","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0424","0.0355","","","0.094","0.0989","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218814","10.5261","0.0003","11.5499","0.0003","14.1017","0.0004","90","","97.386","0.002","90","","1700.19","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-fluoro-benzenesulfonamide","","- C18 H24 F N O2 S -","- C18 H24 F N O2 S -","- C72 H96 F4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0445","0.0356","","","0.0872","0.0925","","","","","","1.045","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218815","9.33501","0.00018","11.577","0.0002","15.7703","0.0003","90","","100.587","0.0018","90","","1675.31","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-benzenesulfonamide","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0481","0.0381","","","0.097","0.1038","","","","","","1.046","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218816","14.2744","0.0015","7.8786","0.0009","12.4054","0.0013","90","","90","","90","","1395.1","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Ge Mn2 N4 S4 -","- C4 H16 Ge Mn2 N4 S4 -","- C16 H64 Ge4 Mn8 N16 S16 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0382","0.0246","","","0.0598","0.0663","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218817","8.971","0.005","16.81","0.009","10.435","0.006","90","","108.218","0.005","90","","1494.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Mn N4 S3 Sn -","- C6 H20 Mn N4 S3 Sn -","- C24 H80 Mn4 N16 S12 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0333","0.0295","","","0.0642","0.0659","","","","","","1.059","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218818","9.3435","0.0011","17.014","0.002","12.8984","0.0015","90","","102.12","0.001","90","","2004.8","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H26 Mn2 N6 S4 Sn -","- C8 H26 Mn2 N6 S4 Sn -","- C32 H104 Mn8 N24 S16 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0398","0.0367","","","0.0989","0.1017","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218854","9.496","0.0011","11.5347","0.0013","11.8048","0.0013","67.494","0.002","81.395","0.002","69.474","0.002","1118.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.62 H18.47 N2 O6.62 S2 Zn -","- C18.616 H18.464 N2 O6.616 S2 Zn -","- C37.232 H36.928 N4 O13.232 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0873","0.0713","","","0.1923","0.2036","","","","","","1.038","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218855","9.6705","0.0005","11.6246","0.0006","11.7082","0.0006","66.363","0.001","82.283","0.001","68.217","0.001","1119.5","0.1","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O4 S2 Zn -","- C18 H12 N2 O4 S2 Zn -","- C36 H24 N4 O8 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0444","0.0383","","","0.107","0.1135","","","","","","1.083","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218856","9.5666","0.0004","11.54","0.0005","11.8627","0.0005","67.61","0.001","80.961","0.001","68.932","0.001","1129.64","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14.2 N2 O5.1 S2 Zn -","- C18 H14.2 N2 O5.1 S2 Zn -","- C36 H28.4 N4 O10.2 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0491","0.0463","","","0.1579","0.1604","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218862","8.5178","0.0003","14.4262","0.0006","14.9256","0.0005","90","","100.234","0.003","90","","1804.87","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N7 O3 -","- C17 H11 Cd N7 O3 -","- C68 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0504","0.034","","","0.0716","0.0759","","","","","","1.029","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218863","7.6683","0.0015","8.8264","0.0018","14.996","0.003","78.42","0.03","79.89","0.03","81.62","0.03","972.4","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cd N9 O -","- C19 H13 Cd N9 O -","- C38 H26 Cd2 N18 O2 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0338","0.0278","","","0.0651","0.0683","","","","","","0.883","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218864","8.15961","0","11.21043","0","17.04066","0.00001","90","","94.4222","0.0003","90","","1554.12","0.0011","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cd N7 O3 -","- C15 H11 Cd N7 O3 -","- C60 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.033","0.0262","","","0.0547","0.0568","","","","","","1.043","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218865","9.328","0.0005","13.9183","0.0005","13.8508","0.0006","90","","109.222","0.005","90","","1698","0.14","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cd N7 O4 -","- C15 H13 Cd N7 O4 -","- C60 H52 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0339","0.0247","","","0.0592","0.0619","","","","","","1.053","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218866","7.7803","0.0004","10.2661","0.0004","10.722","0.0005","81.92","0.004","79.82","0.004","75.63","0.004","812.34","0.07","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","1","0.5","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0384","0.0318","","","0.0632","0.0663","","","","","","1.017","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218867","9.2897","0.0004","8.9304","0.0003","31.2856","0.0011","90","","97.826","0.003","90","","2571.3","0.17","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N10 O3 -","- C26 H16 Cd N10 O3 -","- C104 H64 Cd4 N40 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0746","0.0468","","","0.0948","0.098","","","","","","1.211","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218868","14.204","0.005","9.8521","0.0004","18.7354","0.0006","90","","94.64","0.03","90","","2613.2","0.9","293.5","","293.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cd N10 O4 -","- C26 H18 Cd N10 O4 -","- C104 H72 Cd4 N40 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0489","0.0334","","","0.0784","0.084","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218869","9.4767","0.0003","12.5129","0.0004","14.3126","0.0005","90","","106.191","0.004","90","","1629.89","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd N7 O4 -","- C13 H12 Cd N7 O4 -","- C52 H48 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0707","","","","","","1.057","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218870","7.9227","0.0007","8.9657","0.0009","10.146","0.001","74.85","0.008","74.24","0.008","83.61","0.03","668.87","0.12","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cd N9 -","- C12 H8 Cd N9 -","- C24 H16 Cd2 N18 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0304","0.0282","","","0.064","0.0652","","","","","","1.078","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218883","11.51","0.009","12.16","0.01","13.074","0.01","109.155","0.013","111.714","0.012","96.969","0.014","1543","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.125","0.066","","","0.157","0.1943","","","","","","0.966","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218884","12.328","0.0008","12.696","0.0008","13.859","0.0009","106.698","0.001","108.07","0.001","108.991","0.001","1758.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0612","0.0481","","","0.1242","0.1305","","","","","","1.049","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218885","12.31","0.0018","12.668","0.0018","13.816","0.002","106.758","0.002","108.015","0.002","108.944","0.002","1747.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.081","0.0648","","","0.1688","0.1778","","","","","","1.05","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218886","10.364","0.0005","19.986","0.001","12.851","0.0007","90","","100.055","0.001","90","","2621","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu K Mo4 N4 O17 -","- C16 H17 Cu K Mo4 N4 O17 -","- C64 H68 Cu4 K4 Mo16 N16 O68 -","4","1","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0852","0.0677","","","0.2045","0.2146","","","","","","1.035","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218887","11.416","0.002","10.013","0.002","14.914","0.003","90","","91.44","0.03","90","","1704.3","0.6","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","alfa-Magnesium formate","","- C10 H13 Mg3 O13 -","- C10 H13 Mg3 O13 -","- C40 H52 Mg12 O52 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","0.71073","MoKα","","0.1671","0.0952","","","0.1949","0.2249","","","","","","1.134","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218888","11.363","0.0005","9.895","0.0005","14.6054","0.0008","90","","91.441","0.004","90","","1641.67","0.14","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","1.54184","CuKα","","0.0553","0.0443","","","0.0993","0.1043","","","","","","1.002","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218889","13.066","0.003","20.404","0.004","9.5822","0.0019","90","","94.37","0.03","90","","2547.2","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0785","0.0704","","","0.2203","0.235","","","","","","1.1","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218890","12.996","0.003","16.994","0.003","10.668","0.002","90","","90","","90","","2356.1","0.8","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0862","0.0804","","","0.1454","0.149","","","","","","1.028","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218891","10.362","0.002","10.649","0.002","11.096","0.002","92.16","0.03","100.28","0.03","92.65","0.03","1202.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C56 H44 Cd2 N8 O8 -","2","1","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0552","0.0473","","","0.1947","0.2257","","","","","","1.139","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218892","13.2835","0.0004","17.3692","0.0006","10.6116","0.0003","90","","90","","90","","2448.35","0.13","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C112 H88 Cd4 N16 O16 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0472","0.0284","","","0.0618","0.0707","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218893","14.06551","0.00016","29.396","0.0003","18.4286","0.0003","90","","107.058","0.0014","90","","7284.46","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Dy2 N3 O25 -","- C78 H69 Dy2 N3 O25 -","- C312 H276 Dy8 N12 O100 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0497","0.0383","","","0.0881","0.0931","","","","","","1.09","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218894","19.1237","0.0003","14.4603","0.0002","30.6247","0.0004","90","","90","","90","","8468.8","0.2","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Dy2 N5 O26 -","- C84 H81 Dy2 N5 O26 -","- C336 H324 Dy8 N20 O104 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0449","0.0388","","","0.0935","0.0974","","","","","","1.053","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218903","7.3765","0.0002","7.5213","0.0003","12.1712","0.0003","97.744","0.002","92.657","0.002","110.303","0.001","624.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N6 O -","- C10 H10 Cl2 N6 O -","- C20 H20 Cl4 N12 O2 -","2","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.048","0.0364","","","0.0885","0.0958","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218904","7.4637","0.0014","11.481","0.002","13.395","0.003","95.849","0.003","98.205","0.004","93.393","0.005","1127","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","2","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71069","MoKα","","0.0496","0.0477","","","0.1253","0.1272","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218905","11.4176","0.0004","7.2174","0.0002","29.6018","0.001","90","","90","","90","","2439.35","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N6 O -","- C10 H11 Cl N6 O -","- C80 H88 Cl8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0697","0.0416","","","0.0951","0.1067","","","","","","1.048","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218906","11.3672","0.0004","7.2817","0.0002","30.1714","0.0011","90","","90","","90","","2497.36","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Br N6 O -","- C10 H11 Br N6 O -","- C80 H88 Br8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0562","0.0301","","","0.0639","0.0731","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218907","22.004","0.012","22.004","0.012","20.67","0.02","90","","90","","120","","8667","11","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H17 Cu N3 O5 -","- C18 H17 Cu N3 O5 -","- C324 H306 Cu18 N54 O90 -","18","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.0901","0.058","","","0.127","0.1393","","","","","","1.098","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218908","14.744","0.007","16.525","0.008","19.87","0.009","90","","102.968","0.009","90","","4718","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H74 Mn4 N14 O23 -","- C74 H74 Mn4 N14 O23 -","- C148 H148 Mn8 N28 O46 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1774","0.0983","","","0.262","0.2856","","","","","","1.026","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218909","26.655","0.0004","26.655","0.0004","85.13","0.003","90","","90","","120","","52381","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C276 H198 N42 O86 Zn23 -","- C276 H198 N42 O86 Zn23 -","- C1656 H1188 N252 O516 Zn138 -","6","0.166667","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.103","0.0798","","","0.2348","0.255","","","","","","1.225","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218910","9.862","0.002","13.348","0.003","18.934","0.004","75.217","0.005","81.616","0.005","88.983","0.005","2383.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Co3 N7 O15 -","- C41 H44 Co3 N7 O15 -","- C82 H88 Co6 N14 O30 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1009","0.0572","","","0.1377","0.1592","","","","","","1.031","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218911","15.281","0.003","15.431","0.003","17.911","0.004","99.573","0.009","113.073","0.009","102.518","0.01","3641.8","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate","","- C106 H202 N2 O94 -","- C106 H158 N2 O94.0001 -","- C106 H158 N2 O94.0001 -","1","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1808","0.1384","","","0.3494","0.3831","","","","","","1.405","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218912","18.7766","0.0006","24.6489","0.0008","15.3471","0.0005","90","","109.642","0.002","90","","6689.7","0.4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate","","- C53 H97 N O45 -","- C53 H79 N O45 -","- C212 H316 N4 O180 -","4","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1439","0.0688","","","0.1592","0.197","","","","","","1.013","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218913","21.2603","0.0017","42.109","0.004","5.7891","0.0005","90","","90","","90","","5182.7","0.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C280 H192 Cl16 N16 -","8","0.5","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0746","0.0668","","","0.1405","0.1441","","","","","","1.227","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218914","10.3943","0.0005","17.4818","0.001","15.6814","0.0008","90","","97.686","0.001","90","","2823.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 N2 O -","- C36 H28 Cl2 N2 O -","- C144 H112 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0756","0.0597","","","0.1314","0.139","","","","","","1.092","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218915","10.4238","0.0006","17.4861","0.001","15.9174","0.0008","90","","98.41","0.002","90","","2870.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl2 N2 O -","- C37 H30 Cl2 N2 O -","- C148 H120 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.1249","0.0926","","","0.1737","0.1856","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218916","10.462","0.0005","17.5011","0.0008","15.8272","0.0008","90","","95.53","0.001","90","","2884.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 N2 O2 -","- C37 H28 Cl2 N2 O2 -","- C148 H112 Cl8 N8 O8 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0561","0.0483","","","0.1292","0.1352","","","","","","1.05","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218917","13.0951","0.0006","14.1332","0.0008","19.6616","0.0009","90","","100.161","0.003","90","","3581.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Co N4 O8 -","- C33 H36 Co N4 O8 -","- C132 H144 Co4 N16 O32 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1699","0.1019","","","0.2624","0.2956","","","","","","1.131","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218918","12.9014","0.0003","15.0969","0.0004","12.6756","0.0003","90","","102.381","0.002","90","","2411.42","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0841","0.0483","","","0.1016","0.1128","","","","","","1.013","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218919","21.3167","0.0011","12.3112","0.0007","21.2392","0.001","90","","92.816","0.003","90","","5567.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Co N2 O5 -","- C24 H21 Co N2 O5 -","- C192 H168 Co8 N16 O40 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0903","0.0585","","","0.1315","0.1415","","","","","","1.07","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218920","13.6257","0.0007","25.2675","0.0012","16.8185","0.0008","90","","105.815","0.002","90","","5571.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Co2 N4 O19 -","- C53 H38 Co2 N4 O19 -","- C212 H152 Co8 N16 O76 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0608","0.0472","","","0.1204","0.1289","","","","","","1.022","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218921","30.8856","0.0019","17.8569","0.0011","14.1653","0.0009","90","","114.268","0.003","90","","7122.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Co F6 N4 O8 -","- C35 H34 Co F6 N4 O8 -","- C280 H272 Co8 F48 N32 O64 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1205","0.078","","","0.2016","0.2233","","","","","","1.069","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218922","10.3211","0.0002","30.3501","0.0006","10.8873","0.0002","90","","103.219","0.001","90","","3320.04","0.11","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Co N4 O9 S -","- C32 H32 Co N4 O9 S -","- C128 H128 Co4 N16 O36 S4 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1305","0.0529","","","0.0801","0.0995","","","","","","1.006","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218923","7.9","0.0002","23.1582","0.0007","8.7135","0.0002","90","","107.904","0.001","90","","1516.93","0.07","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-2-(ethoxycarbonyl)-3-[(2-ethoxyphenyl)amino]acrylic acid","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0906","0.0527","","","0.1583","0.1918","","","","","","0.922","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218924","7.0418","0.0013","7.5275","0.0014","11.444","0.002","84.212","0.009","75.935","0.009","82.835","0.009","582.26","0.19","296","2","296","","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-(phenylamino)prop-2-enoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0692","0.0473","","","0.1314","0.1492","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218925","6.8768","0.0002","7.5092","0.0003","12.8653","0.0004","93.415","0.002","104.473","0.002","95.382","0.002","638.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-[(4-methylphenyl)amino]prop-2-enoic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0618","0.0393","","","0.0961","0.1081","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218926","7.0837","0.0002","7.4404","0.0002","12.4791","0.0004","92.127","0.002","105.123","0.002","97.607","0.002","627.59","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2E)-3-[(4-chlorophenyl)amino]-2-(ethoxycarbonyl)prop-2-enoic acid","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C24 H24 Cl2 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0722","0.0493","","","0.1426","0.1639","","","","","","1.051","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218927","11.423","0.0007","8.6148","0.0005","13.9893","0.0009","90","","112.165","0.004","90","","1274.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(ethoxycarbonyl)-3-[(3-nitrophenyl)amino]prop-2-enoic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0538","0.0391","","","0.0937","0.102","","","","","","1.033","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218928","10.77","0.0011","14.5781","0.0014","15.7165","0.0018","66.116","0.001","71.702","0.002","68.82","0.001","2062.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N12 O Pb -","- C20 H16 N12 O Pb -","- C80 H64 N48 O4 Pb4 -","4","2","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.0775","0.0591","","","0.1444","0.1565","","","","","","0.988","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218929","19.2296","0.0018","13.2582","0.0012","13.4958","0.0013","90","","129.226","0.002","90","","2665.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N12 Ni O6 -","- C20 H26 N12 Ni O6 -","- C80 H104 N48 Ni4 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.1135","0.0615","","","0.1254","0.1459","","","","","","0.898","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218930","18.96","0.04","12.97","0.04","13.27","0.04","90","","129.51","0.05","90","","2518","12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N12 O6 -","- C20 H26 Co N12 O6 -","- C80 H104 Co4 N48 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.154","0.0888","","","0.2251","0.297","","","","","","0.991","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218931","8.896","0.003","8.896","0.003","12.637","0.004","90","","90","","90","","1000.1","0.6","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang","Bulk crystal growth of hybrid perovskite material CH3NH3PbI3","CrystEngComm","2015","17","3","665","","10.1039/C4CE02106A","","","0.71073","MoKα","","0.071","0.0644","","","0.1468","0.1494","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218932","10.4466","0.0013","10.4466","0.0013","8.3093","0.0017","90","","90","","120","","785.3","0.2","93","2","93","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","NSBBF","","","- B3 Be3 F4 Na O9 Sr3 -","- B3 Be3 F4 Na O9 Sr3 -","- B9 Be9 F12 Na3 O27 Sr9 -","3","0.166667","","Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian","Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4","CrystEngComm","2015","17","4","925","","10.1039/C4CE02096K","","","0.71073","MoKα","","0.0305","0.0271","","","0.0632","0.0641","","","","","","0.64","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218966","4.822","0.002","22.257","0.01","11.408","0.005","90","","93.364","0.004","90","","1222.2","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0614","0.0527","","","0.1596","0.1799","","","","","","0.872","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218967","7.463","","7.747","","15.435","","94.52","","97.04","","117.68","","774.89","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0997","0.0755","","","0.231","0.2758","","","","","","0.974","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218968","28.784","0.019","6.795","0.004","14.074","0.009","90","","94.543","0.009","90","","2744","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.051","0.0474","","","0.1432","0.1479","","","","","","1.1","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218969","15.0137","0.0018","5.7145","0.0007","17.311","0.002","90","","105.671","0.007","90","","1430","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218970","3.8793","0.0007","15.208","0.003","23.308","0.004","90","","92.189","0.007","90","","1374.1","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br Cl2 O -","- C15 H8 Br Cl2 O -","- C60 H32 Br4 Cl8 O4 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0905","0.0509","","","0.0892","0.103","","","","","","1.029","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218971","7.82","0.005","24.093","0.013","7.286","0.004","90","","117.167","0.006","90","","1221.3","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N3 O2 -","- C14 H8 F N3 O2 -","- C56 H32 F4 N12 O8 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0551","0.0467","","","0.1343","0.1477","","","","","","1.129","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218972","8.781","0.008","9.08","0.01","11.641","0.012","86.17","0.05","69.02","0.04","73.38","0.04","829.8","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0825","0.0608","","","0.1693","0.201","","","","","","1.085","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218973","6.916","0.004","6.922","0.004","11.215","0.008","88.869","0.017","88.15","0.02","72.09","0.02","510.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","1","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0543","0.0513","","","0.1458","0.1501","","","","","","1.088","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218974","14.118","0.012","5.881","0.005","15.04","0.013","90","","113.629","0.01","90","","1144","1.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C60 H48 N4 O4 -","2","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0998","0.0872","","","0.2784","0.2901","","","","","","1.149","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219008","11.225","0.002","31.408","0.006","13.382","0.003","90","","104.79","0.03","90","","4561.6","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Br2 Mo12 N6 O52 S -","- C60 H72 Br2 Mo12 N6 O52 S -","- C120 H144 Br4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0379","0.0304","","","0.0685","0.072","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219009","11.273","0.002","31.417","0.006","13.312","0.003","90","","105.12","0.03","90","","4551.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl2 Mo12 N6 O52 S -","- C60 H72 Cl2 Mo12 N6 O52 S -","- C120 H144 Cl4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0645","0.0814","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219010","11.31","0.002","31.231","0.006","13.308","0.003","90","","105.06","0.03","90","","4539.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 F2 Mo12 N6 O52 S -","- C60 H72 F2 Mo12 N6 O52 S -","- C120 H144 F4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0415","0.0382","","","0.0981","0.101","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219011","11.113","0.002","31.24","0.006","13.533","0.003","90","","103.97","0.03","90","","4559.3","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 I2 Mo12 N6 O52 S -","- C60 H74 I2 Mo12 N6 O52 S -","- C120 H148 I4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0368","0.0305","","","0.0741","0.085","","","","","","1.088","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219020","12.1523","0.0017","12.5597","0.0019","14.3332","0.0014","104.789","0.011","102.134","0.01","107.641","0.013","1915","0.5","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O10 -","- C42 H56 O10 -","- C84 H112 O20 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0937","0.0631","","","0.1449","0.1768","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219021","12.6722","0.0004","15.1699","0.0005","22.9465","0.0011","90","","90","","90","","4411.1","0.3","173","2","173.15","","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C85 H122 Cl N O22 -","- C85 H122 Cl N O22 -","- C170 H244 Cl2 N2 O44 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0806","0.0626","","","0.1836","0.205","","","","","","1.048","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219022","12.6356","0.0002","15.106","0.0002","23.0509","0.0003","90","","90","","90","","4399.8","0.11","123.01","0.1","123.01","0.1","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C90 H140 Cl N O26 -","- C90 H140 Cl N O26 -","- C180 H280 Cl2 N2 O52 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","1.54184","CuKα","","0.0724","0.0677","","","0.1868","0.1921","","","","","","1.037","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219023","11.48122","0.00017","11.7421","0.0002","17.0131","0.0003","102.669","0.0014","92.3148","0.0013","102.562","0.0014","2174.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","1","0.5","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0916","0.0871","","","0.2544","0.2596","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219024","22.4355","0.0013","12.3522","0.0006","15.3459","0.0007","90","","90","","90","","4252.8","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H66 Cl N O11 -","- C42 H56 Cl N O8 -","- C168 H224 Cl4 N4 O32 -","4","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","0.71073","MoKα","","0.113","0.0793","","","0.1485","0.1652","","","","","","1.018","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219025","11.509","0.0003","11.5275","0.0002","18.1749","0.0004","94.3636","0.0017","101.915","0.0018","97.347","0.0018","2326.86","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Cl2 N2 O13 -","- C45 H68.6 Cl2 N2 O13 -","- C90 H137.2 Cl4 N4 O26 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","1.54184","CuKα","","0.0639","0.0562","","","0.159","0.1638","","","","","","1.017","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219037","14.097","0.0019","14.2015","0.0019","14.2649","0.0019","115.663","0.001","113.627","0.001","97.603","0.002","2190.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","PCN-514-DMA complex","","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0269","0.0239","","","0.0602","0.062","","","","","","1.045","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219038","26.567","0.005","14.332","0.003","25.354","0.007","90","","119.2","0.002","90","","8427","3","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PCN-518","","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","1","0.125","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0304","0.0271","","","0.0754","0.0767","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219039","22.76","0.0009","25.263","0.0011","24.146","0.0011","90","","116.121","0.008","90","","12465.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C208 H241 Cu4 N24 O52 -","- C136 H72 Cu4 O28 -","- C272 H144 Cu8 O56 -","2","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","0.71073","MoKα","","0.0797","0.0638","","","0.1736","0.1829","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219040","24.3004","0.0005","24.3004","0.0005","17.1699","0.0005","90","","90","","90","","10139","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H79 Cu N5 O12 -","- C36 H24 Cu O7 -","- C288 H192 Cu8 O56 -","8","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","1.54178","CuKα","","0.0682","0.0626","","","0.1822","0.194","","","","","","1.036","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219043","9.802","0.0015","11.0335","0.0017","12.7221","0.0015","87.172","0.007","84.52","0.007","85.678","0.007","1364.5","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.128","0.0559","","","0.1008","0.1338","","","","","","0.986","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219044","10.9614","0.0006","20.1743","0.0011","8.7356","0.0005","90","","101.49","0.003","90","","1893.06","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","E,E-N3,N3'-Bis(2-pyridylmethylene)-(2,2'-bipyridine)-3,3'-diamine","","- C22 H16 N6 -","- C22 H16 N6 -","- C88 H64 N24 -","4","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0869","0.0529","","","0.0994","0.111","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219045","8.2407","0.0009","10.3017","0.0011","15.4495","0.0016","103.709","0.012","98.082","0.012","101.143","0.013","1226","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] copper(II)(hfac)(triflate)","","- C23 H14 Cu F9 N5 O4 -","- C23 H14 Cu F9 N5 O4 -","- C46 H28 Cu2 F18 N10 O8 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0661","0.0422","","","0.1056","0.1305","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219046","4.9022","0.0006","13.8842","0.0015","15.385","0.002","90","","99.095","0.016","90","","1034","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N3,N3-Bis(Methoxy(pyridin-2-yl)methyl)-2,2-bipyridine-3,3-diamine","","- C24 H24 N6 O2 -","- C24 H24 N6 O2 -","- C48 H48 N12 O4 -","2","0.5","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0774","0.0352","","","0.0728","0.0833","","","","","","0.826","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219047","9.5227","0.0008","12.9131","0.0011","13.7732","0.0011","80.759","0.01","80.757","0.01","84.987","0.01","1646.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[5-(2'-Pyridinoyl)-6-(pyrid-2-yl)-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] complex with Zn(hfac)2","","- C32 H16 F12 N6 O5 Zn -","- C32 H16 F12 N6 O5 Zn -","- C64 H32 F24 N12 O10 Zn2 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0831","0.0465","","","0.1089","0.1291","","","","","","0.902","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219064","22.744","0.006","12.83","0.004","8.896","0.003","90","","93.181","0.005","90","","2591.9","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cu N2 O4 -","- C11 H15 Cu N2 O4 -","- C88 H120 Cu8 N16 O32 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0662","0.0411","","","0.0913","0.1039","","","","","","1.052","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219065","8.524","0.003","18.381","0.007","18.735","0.008","90","","98.788","0.008","90","","2900.9","1.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H74 Cu2 N16 O8 -","- C56 H74 Cu2 N16 O8 -","- C112 H148 Cu4 N32 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0539","0.0436","","","0.0984","0.1052","","","","","","1.018","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219066","19.944","0.004","14.835","0.003","18.434","0.004","90","","90","","90","","5454","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cu N6 O4.5 -","- C24 H36 Cu N6 O4.5 -","- C192 H288 Cu8 N48 O36 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.088","0.0495","","","0.1145","0.1388","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219067","19.048","0.008","11.728","0.005","12.28","0.006","90","","104.772","0.008","90","","2653","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N4 O10 -","- C26 H24 Cu2 N4 O10 -","- C104 H96 Cu8 N16 O40 -","4","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1204","0.0555","","","0.1086","0.1422","","","","","","0.973","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219068","11.5514","0.001","8.5414","0.0008","18.5063","0.0017","90","","90","","90","","1825.9","0.3","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H18 Cu N4 O4 -","- C18 H18 Cu N4 O4 -","- C72 H72 Cu4 N16 O16 -","4","0.5","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0631","0.0382","","","0.115","0.1594","","","","","","1.077","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219069","11.141","0.002","11.587","0.002","12.965","0.003","108.642","0.003","100.671","0.004","91.455","0.004","1552","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O9 -","- C30 H32 Cu2 N4 O9 -","- C60 H64 Cu4 N8 O18 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1184","0.0675","","","0.169","0.239","","","","","","1.119","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219070","11.5804","0.0016","11.6236","0.0016","12.3308","0.0018","113.262","0.002","114.306","0.002","96.107","0.002","1316.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N4 O8 -","- C25 H29 Cu2 N4 O8 -","- C50 H58 Cu4 N8 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.0737","0.0446","","","0.0994","0.109","","","","","","0.903","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219071","8.394","0.003","5.7287","0.0018","9.35","0.003","90","","115.074","0.004","90","","407.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.051","0.037","","","0.0797","0.0866","","","","","","1.009","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219072","7.1396","0.0002","15.8266","0.0003","8.6026","0.0002","90","","100.464","0.001","90","","955.89","0.04","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0223","0.021","","","0.0428","0.0433","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219073","9.4625","0.0003","10.8617","0.0004","10.8624","0.0004","61.068","0.002","79.796","0.002","71.95","0.002","928.5","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","1","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0818","0.0485","","","0.107","0.1238","","","","","","0.99","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219074","8.8772","0.0007","9.1848","0.0007","12.0335","0.001","90","","94.284","0.001","90","","978.41","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0632","0.0545","","","0.1652","0.1727","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219075","12.396","0.002","6.7324","0.0012","13.672","0.002","90","","90","","90","","1141","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 N5 O6 S Zn2 -","- C7 H9 N5 O6 S Zn2 -","- C28 H36 N20 O24 S4 Zn8 -","4","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0652","0.0633","","","0.1557","0.1566","","","","","","1.008","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219076","12.9012","0.0013","14.0247","0.0014","7.0282","0.0007","90","","90","","90","","1271.7","0.2","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd2 N5 O6 S -","- C7 H9 Cd2 N5 O6 S -","- C28 H36 Cd8 N20 O24 S4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0198","0.0192","","","0.0464","0.047","","","","","","1.089","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219082","9.6484","0.0006","11.7939","0.0007","11.8603","0.0005","73.671","0.004","67.426","0.005","74.356","0.005","1175.85","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Mg2 O14 S2 -","- C18 H22 Mg2 O14 S2 -","- C36 H44 Mg4 O28 S4 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0615","0.0499","","","0.1238","0.132","","","","","","1.007","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219083","10.6233","0.0003","14.7624","0.0005","15.8152","0.0004","76.453","0.002","74.011","0.002","70.088","0.003","2214.51","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Mg4 O20 S8 -","- C32 H32 Mg4 O20 S8 -","- C64 H64 Mg8 O40 S16 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54184","CuKα","","0.068","0.0626","","","0.1585","0.1632","","","","","","1.011","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219084","22.2398","0.0001","22.2398","0.0001","12.301","0.0001","90","","90","","90","","6084.18","0.06","100","2","100","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C22 H29.5 Mg2 N2.5 O12 S2 -","- C14 H7 Mg2 O10 S2 -","- C112 H56 Mg16 O80 S16 -","8","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54178","CuKα","","0.0323","0.0308","","","0.0898","0.0917","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219085","12.9363","0.0006","15.858","0.0008","9.0474","0.0007","90","","120.978","0.01","90","","1591.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H34 Mg2 N3 O14 S2 -","- C23 H34 Mg2 N3 O14 S2 -","- C46 H68 Mg4 N6 O28 S4 -","2","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0507","0.0443","","","0.1087","0.1158","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219086","17.8916","0.0015","19.6745","0.0017","19.088","0.002","90","","90","","90","","6719.1","1.1","123","","123","","","","","","","","M.Klein","7","P n a 21","P 2c -2n","33","","","","- C58 H60 Cl12 Co N8 O2 S2 -","- C58 H60 Cl12 Co N8 O2 S2 -","- C232 H240 Cl48 Co4 N32 O8 S8 -","4","1","","Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro","A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails","CrystEngComm","2015","17","10","2070","","10.1039/C4CE02347A","","","1.54178","CuKα","","0.1464","0.1343","","0.3268","0.317","0.3268","","","","","","1.0827","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219087","6.3606","0.0008","8.016","0.001","20.077","0.003","90","","93.498","0.002","90","","1021.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O2 -","- C10 H8 Ag N3 O2 -","- C40 H32 Ag4 N12 O8 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0283","0.0259","","","0.0712","0.0725","","","","","","1.078","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219088","23.034","0.008","9.401","0.003","9.582","0.003","90","","104.962","0.004","90","","2004.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H17 Cu N6 O5 -","- C80 H68 Cu4 N24 O20 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0686","0.0414","","","0.0864","0.0989","","","","","","1.015","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219089","23.812","0.005","8.411","0.0015","10.8594","0.0019","90","","111.132","0.004","90","","2028.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Eu N6 O6 -","- C21 H16 Eu N6 O6 -","- C84 H64 Eu4 N24 O24 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0775","0.0819","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219090","10.788","0.0012","25.337","0.003","9.4619","0.001","90","","97.026","0.001","90","","2566.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Ag N4 O4 -","- C30 H23 Ag N4 O4 -","- C120 H92 Ag4 N16 O16 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0593","0.0383","","","0.0843","0.0946","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219091","14.578","0.003","5.8741","0.0014","15.358","0.004","90","","96.23","0.003","90","","1307.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cu N4 O4 -","- C30 H22 Cu N4 O4 -","- C60 H44 Cu2 N8 O8 -","2","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0364","0.0299","","","0.0773","0.0818","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219092","17.931","0.004","8.4694","0.0019","26.347","0.006","90","","93.148","0.003","90","","3995.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Eu N6 O6 -","- C45 H33 Eu N6 O6 -","- C180 H132 Eu4 N24 O24 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0831","0.0559","","","0.1463","0.1629","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219116","10.882","0.002","11.587","0.002","13.273","0.003","113.3","0.03","96.32","0.03","95.46","0.03","1510","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","1","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1029","0.0688","","","0.1515","0.1758","","","","","","1.064","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219117","23.402","0.002","21.76","0.002","26.461","0.003","90","","116.239","0.002","90","","12086","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cu3 Mo12 N8 O40.5 P -","- C35 H30 Cu3 Mo12 N8 O40.5 P -","- C280 H240 Cu24 Mo96 N64 O324 P8 -","8","1","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.0886","0.0549","","","0.1388","0.1555","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219118","10.8252","0.0014","10.8613","0.0014","23.243","0.003","90","","104.379","0.005","90","","2647.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cu2 Mo12 N6 O40 P -","- C25 H16 Cu2 Mo12 N6 O40 P -","- C50 H32 Cu4 Mo24 N12 O80 P2 -","2","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.071","0.0566","","","0.1359","0.1454","","","","","","1.015","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219119","22.726","0.004","15.455","0.003","12.036","0.002","90","","115.17","0.03","90","","3826","1.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H44 Cu2 N10 O42 P W12 -","- C54 H40 Cu2 N10 O42 P W12 -","- C108 H80 Cu4 N20 O84 P2 W24 -","2","0.25","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1086","0.1017","","","0.2294","0.2347","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219120","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","12-2Ar","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Effect of 1D twisted water chains confined in channels formed by a Gemini amphiphile on its crystal stability","CrystEngComm","2015","17","6","1439","","10.1039/C4CE01879F","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219121","5.3146","0.0008","11.977","0.0018","19.719","0.003","90","","90","","90","","1255.2","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0212","0.0181","","","0.0459","0.0472","","","","","","1.088","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219122","11.823","0.002","5.3348","0.0011","20.053","0.004","90","","94.81","0.003","90","","1260.4","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0386","0.0344","","","0.0776","0.0808","","","","","","1.025","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219123","11.289","0.002","8.0295","0.0011","14.209","0.004","90","","101.506","0.003","90","","1262.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0277","0.0266","","","0.062","0.0628","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219124","11.6229","0.0004","8.0177","0.0003","26.8738","0.001","90","","93.789","0.001","90","","2498.87","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C96 H96 Cd8 O48 -","8","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0465","0.042","","","0.0946","0.0972","","","","","","1.159","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219125","6.894","0.0011","7.6323","0.0012","9.9174","0.0015","79.286","0.002","71.221","0.002","81.683","0.002","483.41","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","1","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0526","0.0484","","","0.1074","0.1098","","","","","","1.17","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219126","13.493","0.006","7.8123","0.0033","6.585","0.0027","90","","100.294","0.0021","90","","683","0.5","293","","293","","","","","","","","see text","6","P 1 21 1","P 2yb","4","cocrystal (I) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C22 H30 B2 I2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.0619","","1.95","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219127","7.8693","0.0013","5.1027","0.0008","23.951","0.004","90","","90.465","0.003","90","","961.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N4 O6 -","- C18 H20 B2 N4 O6 -","- C36 H40 B4 N8 O12 -","2","0.5","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0417","0.0373","","","0.1049","0.1086","","","","","","1.048","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219128","26.56","0.011","7.8526","0.0034","6.5921","0.0028","90","","90","","90","","1374.9","1","293","","293","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","cocrystal (II) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C44 H60 B4 I4 N4 O16 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.06323","","2.09","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219129","5.1113","0.0007","11.2936","0.0016","12.0927","0.0017","76.589","0.002","84.831","0.002","78.494","0.002","664.67","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C24 H24 B2 I2 N4 O6 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0381","0.0327","","","0.074","0.0758","","","","","","1.058","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219130","34.686","0.008","4.0087","0.0009","10.092","0.002","90","","90","","90","","1403.2","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C48 H48 B4 I4 N8 O12 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0598","0.0531","","","0.1108","0.1135","","","","","","1.163","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219131","12.179","0.005","9.055","0.004","5.6453","0.0022","90","","95.1941","0.0018","90","","620","0.4","293","","293","","","","","","","","see text","5","P 1 21 1","P 2yb","4","cocrystal of phenylboronic acid with L-proline (1:1)","","","- C11 H16 B N O4 -","- C11 H16 B N O4 -","- C22 H32 B2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.11395","","2.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219132","7.6856","0.0014","5.8462","0.0011","14.933","0.003","90","","103.953","0.003","90","","651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 B N O5 -","- C11 H18 B N O5 -","- C22 H36 B2 N2 O10 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0452","0.0434","","","0.1133","0.1146","","","","","","1.136","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219133","5.619","0.0001","12.232","0.0004","8.384","0.0003","90","","104.304","0.0012","90","","558.38","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0245","0.0239","","","0.0567","0.057","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219134","5.689","0.005","12.288","0.005","8.419","0.005","90","","103.897","0.005","90","","571.3","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.046","0.0368","","","0.0611","0.0654","","","","","","0.936","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219135","5.3598","0.0001","12.0206","0.0004","8.6306","0.0003","90","","104.55","0.001","90","","538.22","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.034","0.0313","","","0.074","0.0757","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219136","5.4349","0.0001","12.0714","0.0003","8.6515","0.0003","90","","103.854","0.002","90","","551.09","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0341","0.0308","","","0.0772","0.0803","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219137","6.077","0.0007","16.324","0.002","6.344","0.0007","90","","115.577","0.008","90","","567.66","0.12","293","2","293","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","lamivudine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0857","0.0635","","","0.1566","0.1754","","","","","","1.069","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219144","11.3111","0.0015","13.5636","0.0018","16.321","0.002","81.613","0.002","75.368","0.002","67.987","0.002","2242.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Hg3 I6 N4 O2 -","- C35 H32 Hg3 I6 N4 O2 -","- C70 H64 Hg6 I12 N8 O4 -","2","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0584","0.0471","","","0.1245","0.1326","","","","","","1.037","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219145","44.8","0.003","17.1348","0.0013","17.7314","0.0014","90","","90","","90","","13611.3","1.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H36 Ag F6 N6 O2 P -","- C30 H36 Ag F6 N6 O2 P -","- C480 H576 Ag16 F96 N96 O32 P16 -","16","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0356","0.031","","","0.0867","0.0912","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219146","10.8182","0.0005","20.4671","0.001","18.6333","0.0009","90","","101.76","0.001","90","","4039.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Ag2 Cl4 N6 O2 -","- C43 H38 Ag2 Cl4 N6 O2 -","- C172 H152 Ag8 Cl16 N24 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0442","0.0354","","","0.0877","0.0934","","","","","","1.046","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219147","14.416","0.0012","15.8007","0.0013","23.0337","0.0014","90","","127.396","0.003","90","","4168.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl10 Hg5 N4 O2 -","- C27 H32 Cl10 Hg5 N4 O2 -","- C108 H128 Cl40 Hg20 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0539","0.037","","","0.0788","0.0895","","","","","","1.011","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219148","11.7672","0.0009","19.2956","0.0009","19.0562","0.0011","90","","90.292","0.001","90","","4326.8","0.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H44 Hg2 I4 N4 O3 S -","- C38 H44 Hg2 I4 N4 O3 S -","- C152 H176 Hg8 I16 N16 O12 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.039","0.0384","","","0.0917","0.092","","","","","","1.057","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219149","10.84","0.004","13.647","0.005","25.631","0.009","90","","102.5","0.013","90","","3702","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ag Cr N4 O5.5 -","- C38 H42 Ag Cr N4 O5.5 -","- C152 H168 Ag4 Cr4 N16 O22 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0677","0.0603","","","0.1639","0.1718","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219150","14.5037","0.0006","14.5037","0.0006","18.1126","0.001","90","","90","","90","","3810.1","0.3","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cl2 Hg N6 O3 -","- C43 H40 Cl2 Hg N6 O3 -","- C172 H160 Cl8 Hg4 N24 O12 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0235","0.022","","","0.0545","0.0556","","","","","","1.004","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219151","11.4527","0.0006","20.9738","0.0011","15.9974","0.0008","90","","99.621","0.001","90","","3788.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl4 Hg2 N4 O2 -","- C38 H42 Cl4 Hg2 N4 O2 -","- C152 H168 Cl16 Hg8 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0311","0.0259","","","0.0628","0.0695","","","","","","1.049","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219152","15.457","0.0004","13.4361","0.0002","13.8616","0.0003","90","","113.356","0.003","90","","2642.91","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 F12 N4 Ni2 O12 -","- C54 H40 F12 N4 Ni2 O12 -","- C108 H80 F24 N8 Ni4 O24 -","2","0.5","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0428","0.0328","","","0.0812","0.0887","","","","","","1.026","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219153","29.6835","0.001","22.611","0.0008","8.2315","0.0002","90","","92.633","0.003","90","","5518.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H84 F24 N10 Ni4 O21 -","- C111 H84 F24 N10 Ni4 O21 -","- C222 H168 F48 N20 Ni8 O42 -","2","0.25","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0651","0.0515","","","0.1467","0.1562","","","","","","1.071","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219154","12.1471","0.0004","14.5855","0.0007","17.494","0.0007","111.295","0.004","90.612","0.003","91.087","0.003","2886.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 F12 N4 Ni2 O13 -","- C55 H42 F12 N4 Ni2 O12.25 -","- C110 H84 F24 N8 Ni4 O24.5 -","2","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.09","0.0799","","","0.211","0.2167","","","","","","1.187","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219155","14.4565","0.0004","38.2307","0.0008","10.008","0.0002","90","","109.779","0.003","90","","5204.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C228 H156 F48 N20 O36 Zn8 -","8","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","0.71073","MoKα","","0.0612","0.0389","","","0.0987","0.1091","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219156","27.963","0.013","5.091","0.002","16.89","0.008","90","","118.873","0.007","90","","2105.6","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C80 H96 N16 O28 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.069","0.0508","","","0.1341","0.1631","","","","","","0.91","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219157","18.863","0.016","4.534","0.004","14.98","0.012","90","","113.37","0.02","90","","1176.1","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0454","0.0338","","","0.0913","0.1054","","","","","","0.845","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219158","21.196","0.011","4.605","0.003","10.551","0.006","90","","90","","90","","1029.9","1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H22 N4 O7 -","- C19 H22 N4 O7 -","- C38 H44 N8 O14 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0553","0.0379","","","0.102","0.1193","","","","","","0.833","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219159","6.886","0.007","19.68","0.02","16.336","0.019","90","","100.08","0.02","90","","2180","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O10 -","- C18 H26 N4 O10 -","- C72 H104 N16 O40 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0957","0.0647","","","0.1755","0.2005","","","","","","1.295","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219166","21.622","0.002","17.5525","0.0016","16.4817","0.0016","90","","110.836","0.002","90","","5846.1","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Co1.5 N3 O21 Ru3 -","- C30 H30 Co1.5 N3 O21 Ru3 -","- C120 H120 Co6 N12 O84 Ru12 -","4","0.5","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.49594","","","0.1482","0.0847","","","0.2264","0.2506","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219167","55.289","0.013","28.916","0.005","17.468","0.003","90","","95.92","0.005","90","","27778","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C180 H196 Co3 N18 O124 Ru24 -","- C180 H180 Co3 N18 O124 Ru24 -","- C360 H360 Co6 N36 O248 Ru48 -","2","0.25","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.44487","","","0.1627","0.1287","","","0.353","0.3774","","","","","","1.343","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219168","30.4852","0.001","9.0518","0.0003","20.1865","0.0007","90","","107.086","0.003","90","","5324.5","0.3","129.8","0.5","129.8","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Eu2 N2 O19 -","- C50 H46 Eu2 N2 O19 -","- C200 H184 Eu8 N8 O76 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0532","0.0485","","","0.1256","0.1312","","","","","","1.036","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219169","30.379","0.002","8.9963","0.0004","20.1175","0.0014","90","","107.423","0.008","90","","5245.8","0.6","130.4","0.2","130.4","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N2 O19 Tb2 -","- C50 H46 N2 O19 Tb2 -","- C200 H184 N8 O76 Tb8 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0848","0.0794","","","0.2103","0.2169","","","","","","1.047","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219170","9.4805","0.0004","13.8989","0.0007","16.646","0.0009","85.35","0.004","76.57","0.004","72.158","0.005","2030.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Eu N3 O15 -","- C37 H42 Eu N3 O15 -","- C74 H84 Eu2 N6 O30 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0389","0.0331","","","0.079","0.0828","","","","","","1.063","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219171","9.3955","0.0005","13.8663","0.0006","16.5559","0.001","85.363","0.004","76.965","0.005","72.239","0.005","2001","0.2","130.3","0.14","130.3","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N3 O15 Tb -","- C37 H42 N3 O15 Tb -","- C74 H84 N6 O30 Tb2 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0347","0.0308","","","0.0693","0.0726","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219172","9.4187","0.0006","28.0878","0.0014","16.7579","0.0011","90","","99.446","0.006","90","","4373.2","0.5","133.8","0.2","133.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu2 N O18 -","- C45 H35 Eu2 N O18 -","- C180 H140 Eu8 N4 O72 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0662","0.0512","","","0.12","0.1305","","","","","","1.034","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219173","9.3673","0.0004","27.9636","0.0009","16.8012","0.0006","90","","99.382","0.004","90","","4342.1","0.3","129.6","0.2","129.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 N O18 Tb2 -","- C45 H35 N O18 Tb2 -","- C180 H140 N4 O72 Tb8 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0505","0.0432","","","0.1007","0.1056","","","","","","1.08","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219174","14.774","0.002","14.774","0.002","14.774","0.002","90","","90","","90","","3224.7","0.8","150","0.2","150","0.2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C6 H28 Mo3 N14 O2 Re3 S8 Zn3 -","- C6 H24.48 Mo3 N14 O1.98 Re3 S8 Zn3 -","- C24 H97.92 Mo12 N56 O7.92 Re12 S32 Zn12 -","4","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0535","0.0433","","","0.1079","0.1169","","","","","","1.178","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219175","14.9831","0.0003","14.9831","0.0003","14.9831","0.0003","90","","90","","90","","3363.61","0.12","150","0.2","150","0.2","","","","","","","","8","P m -3 m","-P 4 2 3","221","","","","- C18 H114 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","1","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0534","0.038","","","0.1217","0.1327","","","","","","1.123","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219184","9.4022","0.0008","13.4466","0.0012","17.5161","0.0015","89.367","0.002","87.358","0.001","87.449","0.001","2209.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N14 Ni2 O14 V4 -","- C28 H46 N14 Ni2 O14 V4 -","- C56 H92 N28 Ni4 O28 V8 -","2","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0825","0.0469","","","0.087","0.0954","","","","","","1.021","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219185","11.477","0.0011","17.835","0.0016","17.835","0.0016","90","","90","","90","","3650.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Co2 N10 O14 V4 -","- C20 H34 Co2 N10 O14 V4 -","- C80 H136 Co8 N40 O56 V16 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.1628","0.0843","","","0.1929","0.2213","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219186","9.4328","0.0011","16.3873","0.0017","11.3981","0.0012","90","","99.731","0.002","90","","1736.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 O7 V2 -","- C10 H18 Cd N4 O7 V2 -","- C40 H72 Cd4 N16 O28 V8 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0515","0.0329","","","0.0603","0.0691","","","","","","1.066","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219198","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219199","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219200","10.975","0.004","21.227","0.007","34.042","0.01","87.099","0.007","82.157","0.006","83.536","0.006","7802","4","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H196 Cl6 N2 O32 Si16 -","- C128 H196 Cl6 N2 O32 Si16 -","- C256 H392 Cl12 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4307","0.1564","","","0.3682","0.4661","","","","","","0.778","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219201","15.31","0.008","15.323","0.009","37.78","0.02","100.751","0.01","95.049","0.011","102.622","0.01","8420","8","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C135 H193 Cl9 N2 O32 Si16 -","- C135 H193 Cl9 N2 O32 Si16 -","- C270 H386 Cl18 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4064","0.1858","","","0.4245","0.5002","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219202","11.3824","0.0002","21.8344","0.0004","23.7734","0.0005","86.5313","0.0016","81.6042","0.0018","83.2088","0.0017","5798.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H146 N2 O28 Si16 -","- C86 H146 N2 O28 Si16 -","- C172 H292 N4 O56 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","1.5418","CuKα","","0.3009","0.2148","","","0.5006","0.5282","","","","","","1.159","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219204","9.6197","0.0001","9.6197","0.0001","28.4217","0.0009","90","","90","","120","","2277.74","0.08","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H84 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","1","0.166667","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1228","0.1162","","","0.3151","0.3272","","","","","","1.119","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219205","11.9644","0.0011","11.7512","0.0009","20.5623","0.0016","90","","96.341","0.008","90","","2873.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N16 Ni2 O4 -","- C25 H24 N16 Ni2 O4 -","- C100 H96 N64 Ni8 O16 -","4","0.5","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.0719","0.0407","","","0.0764","0.0819","","","","","","0.898","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219206","16.2734","0.0018","18.977","0.003","19.136","0.002","90","","111.964","0.014","90","","5480.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 Mn N14 O12 -","- C51 H48 Mn N14 O12 -","- C204 H192 Mn4 N56 O48 -","4","1","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1009","0.0469","","","0.1081","0.1197","","","","","","0.836","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219207","10.2918","0.0001","10.2918","0.0001","33.1588","0.0008","90","","90","","90","","3512.22","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H24 Co2 N16 O4 -","- C25 H24 Co2 N16 O4 -","- C100 H96 Co8 N64 O16 -","4","0.25","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","1.54178","CuKα","","0.0607","0.0469","","","0.1651","0.1758","","","","","","1.104","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219208","5.19126","0.00015","33.428","0.001","9.217","0.0003","90","","112.021","0.0014","90","","1482.77","0.08","298.1","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.05","","","","0.151","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219209","7.12742","0.00015","12.8781","0.0003","15.9623","0.0005","90","","103.45","0.0014","90","","1424.96","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.037","","","","0.1004","","","","","","1.073","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219210","4.88516","0.00018","8.6653","0.0003","18.6176","0.0007","86.98","0.003","85.549","0.003","80.147","0.002","773.52","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C32 H36 Cl2 N2 O6 -","2","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.0549","","","","0.1249","","","","","","0.923","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219212","7.807","0.003","6.49","0.003","10.879","0.003","90","","117.15","0.02","90","","490.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 S -","- C2 H3 Cu N4 S -","- C8 H12 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0482","0.0466","","","0.1285","0.1304","","","","","","1.043","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219213","11.4672","0.0009","7.1734","0.0006","17.2977","0.0014","90","","102.957","0.001","90","","1386.66","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Cl Cu2 N4 S -","- C2 H3 Cl Cu2 N4 S -","- C16 H24 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0228","0.0204","","","0.0485","0.0495","","","","","","1.067","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219214","8.7795","0.0014","6.4704","0.0011","10.8283","0.0017","90","","106.422","0.002","90","","590.03","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0303","0.0266","","","0.0666","0.0684","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219215","11.1796","0.0017","8.4442","0.0014","17.314","0.003","90","","103.158","0.002","90","","1591.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl Cu2 N4 S -","- C3 H5 Cl Cu2 N4 S -","- C24 H40 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0384","0.0351","","","0.08","0.0813","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219216","11.8373","0.001","11.5492","0.0009","12.7035","0.001","90","","95.068","0.001","90","","1729.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd3 O14 -","- C13 H12 Cd3 O14 -","- C52 H48 Cd12 O56 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Wen, Hui-Liang; Tan, Sheng-Shui; John Zhang, Z.","A rare I2O3hybrid organic‒inorganic material with high connectivity and quadruple-stranded helices","CrystEngComm","2015","17","7","1518","","10.1039/C4CE02253J","","","0.71073","MoKα","","0.0312","0.0288","","","0.0811","0.0826","","","","","","1.089","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219217","15.655","0.003","16.561","0.003","21.2","0.003","90","","120.567","0.009","90","","4732.6","1.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N6 O5 Zn -","- C23 H14 N6 O5 Zn -","- C184 H112 N48 O40 Zn8 -","8","1","","Safarifard, Vahid; Beheshti, Saeideh; Morsali, Ali","An interpenetrating amine-functionalized metal‒organic framework as an efficient and reusable catalyst for the selective synthesis of tetrahydro-chromenes","CrystEngComm","2015","17","7","1680","","10.1039/C4CE02141J","","","0.71073","MoKα","","0.1354","0.0805","","","0.1589","0.1747","","","","","","1.083","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219229","5.244797","0.00003","5.244797","","11.3813","0.00013","90","","90","","90","","313.076","0.004","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Calcium tungstate","","","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.05","0.0342","","","0.0666","","0.02583","","1.95","","","1.95","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219230","5.24701","0.00005","5.24701","","11.3846","0.00018","90","","90","","90","","313.431","0.006","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.99 Eu0.01 O4 W -","- Ca0.98967 Eu0.01059 O4 W -","- Ca3.95868 Eu0.04236 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0548","0.0326","","","0.0729","","0.04681","","2.24","","","2.24","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219231","5.24643","0.00006","5.24643","","11.38357","0.00021","90","","90","","90","","313.333","0.007","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.98 Eu0.02 O4 W -","- Ca0.9804 Eu0.0196 O4 W -","- Ca3.9216 Eu0.0784 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0591","0.0342","","","0.0799","","0.02956","","2.34","","","2.34","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219232","5.24682","0.00004","5.24682","","11.38143","0.00016","90","","90","","90","","313.321","0.005","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.96 Eu0.04 O4 W -","- Ca0.96289 Eu0.03711 O4 W -","- Ca3.85156 Eu0.14844 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0472","0.0322","","","0.0633","","0.0235","","1.97","","","1.97","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219233","3.64","0.001","11.584","0.003","13.565","0.003","90","","94.64","0.01","90","","570.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0643","0.0451","","","0.1168","0.13","","","","","","1.039","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219234","3.725","0.001","7.368","0.002","20.417","0.004","90","","91.47","0.01","90","","560.2","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.06","0.0457","","","0.1172","0.1274","","","","","","1.047","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219235","9.997","0.002","3.754","0.001","15.362","0.003","90","","106.31","0.03","90","","553.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0569","0.0427","","","0.1083","0.1187","","","","","","1.094","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219236","9.773","0.002","4.052","0.0008","14.993","0.005","90","","109.95","0.03","90","","558.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0479","0.0379","","","0.1102","0.1165","","","","","","1.041","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7219237","15.563","0.003","17.642","0.003","17.736","0.005","116.804","0.009","92.853","0.016","107.383","0.012","4049.4","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H44 Cu8 N36 -","- C76 H44 Cu8 N36 -","- C152 H88 Cu16 N72 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.0743","0.051","","","0.1245","0.1424","","","","","","1.058","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219238","11.446","0.01","13.434","0.014","15.352","0.015","79.59","0.03","76.45","0.03","79.82","0.04","2235","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Cu5 N19 O2 -","- C39 H21 Cu5 N19 O2 -","- C78 H42 Cu10 N38 O4 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.1241","0.0827","","","0.2362","0.3222","","","","","","1.061","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219239","5.6775","0.0003","11.7141","0.0007","18.3172","0.0011","90","","98.832","0.001","90","","1203.77","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0666","0.0589","","","0.1413","0.1484","","","","","","1.054","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219240","26.2548","0.0016","6.0047","0.0004","27.3511","0.0017","90","","117.786","0.002","90","","3814.8","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C168 H192 O24 -","24","3","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0491","0.0377","","","0.0936","0.1016","","","","","","1.02","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219261","15.331","0.003","33.859","0.007","10.827","0.002","90","","104.229","0.003","90","","5447.8","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N3 Ni O6 -","- C30 H20 N3 Ni O6 -","- C240 H160 N24 Ni8 O48 -","8","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0691","0.0553","","","0.1783","0.2238","","","","","","1.047","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219262","9.765","","17.154","","14.568","","90","","103.06","","90","","2377.15","","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 Ni O7 -","- C25 H20 N2 Ni O7 -","- C100 H80 N8 Ni4 O28 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0497","0.0476","","","0.1676","0.1758","","","","","","1.044","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219263","9.406","0.004","9.512","0.003","11.655","0.004","75.58","0.006","80.947","0.006","66.329","0.006","923","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N Ni O5 -","- C20 H12 N Ni O5 -","- C40 H24 N2 Ni2 O10 -","2","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.118","0.0874","","","0.3104","0.3773","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219264","9.883","0.007","18.292","0.013","13.048","0.009","90","","102.748","0.008","90","","2301","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H16 N2 Ni O5 -","- C25 H16 N2 Ni O5 -","- C100 H64 N8 Ni4 O20 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0766","0.0657","","","0.1676","0.1768","","","","","","1.007","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219265","12.611","0.0003","13.0901","0.0006","23.1334","0.0011","86.751","0.004","89.566","0.003","66.489","0.004","3495.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H156 Cl4 Co8 O43 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0933","0.0629","","","0.1564","0.1733","","","","","","0.972","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219266","11.7307","0.0006","21.7103","0.0011","27.772","0.0013","90","","89.317","0.005","90","","7072.4","0.6","100","2","100","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C121 H168.5 Cl2 Co8 N2.5 O25.5 S8 -","- C116 H112.6 Cl2 Co8 N2 O22 S8 -","- C232 H225.2 Cl4 Co16 N4 O44 S16 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0972","0.0771","","","0.2223","0.2319","","","","","","1.093","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219267","15.1811","0.0006","20.4878","0.0009","39.3306","0.0011","90","","90","","90","","12232.9","0.8","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C62.6 H69.9 Cl Co4 N1.3 O12 S4 -","- C62.6 H43.1 Cl Co4 N1.3 O12 S4 -","- C500.8 H344.8 Cl8 Co32 N10.4 O96 S32 -","8","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.1084","0.0869","","","0.2359","0.2581","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219268","3.8298","0.0004","13.6659","0.0013","26.168","0.002","90","","91.048","0.005","90","","1369.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0629","0.0446","","","0.1262","0.1351","","","","","","1.392","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219269","10.122","0.002","10.636","0.002","14.713","0.003","94.212","0.011","105.65","0.011","104.86","0.011","1456.8","0.5","569","2","569","2","","","","","","","","4","P -1","-P 1","2","","","","- C26.83 H27.49 N2 O12.11 -","- C26.831 H27.493 N2 O12.114 -","- C53.662 H54.986 N4 O24.228 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1109","0.0641","","","0.1309","0.1429","","","","","","1.681","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219270","10.037","0.003","10.936","0.003","14.655","0.004","94.839","0.015","104.698","0.014","104.297","0.014","1489.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27.92 H30 N2 O12.06 -","- C27.92 H30 N2 O12.06 -","- C55.84 H60 N4 O24.12 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0875","0.0569","","","0.1611","0.1837","","","","","","0.973","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219271","9.525","0.003","27.883","0.009","13.755","0.004","90","","107.856","0.016","90","","3477.2","1.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","2","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1193","0.0594","","","0.1354","0.1713","","","","","","0.94","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219272","10.979","0.002","11.02","0.002","14.01","0.003","89.54","0.03","78.13","0.03","77.87","0.03","1620.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O12 -","- C31 H28 N2 O12 -","- C62 H56 N4 O24 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0938","0.0531","","","0.1479","0.1968","","","","","","0.966","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219273","7.9394","0.0017","11.221","0.002","19.683","0.004","93.603","0.008","92.516","0.007","95.843","0.007","1738.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O7 -","- C40 H34 N4 O7 -","- C80 H68 N8 O14 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0747","0.0517","","","0.1325","0.1713","","","","","","1.189","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219274","15.056","0.002","13.1093","0.0018","15.2651","0.0019","90","","105.105","0.005","90","","2908.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N4 O13 -","- C29 H30 N4 O13 -","- C116 H120 N16 O52 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0847","0.0776","","","0.2056","0.2095","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219275","10.6026","0.0009","14.4115","0.0009","15.2947","0.0015","72.165","0.007","85.457","0.007","86.934","0.006","2216.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43.63 N6 O21.18 S4 -","- C40 H43.65 N6 O21.175 S4 -","- C80 H87.3 N12 O42.35 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0567","0.0441","","","0.1105","0.1203","","","","","","0.827","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219276","12.5233","0.0003","12.7554","0.0004","17.6293","0.0005","77.734","0.002","75.621","0.002","66.431","0.003","2479.93","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H54.84 N6 O25.15 S4 -","- C41.704 H54.846 N6 O25.148 S4 -","- C83.408 H109.692 N12 O50.296 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0448","0.037","","","0.0984","0.1028","","","","","","0.932","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219277","12.4798","0.0005","12.6682","0.0004","17.6904","0.0005","77.545","0.003","75.299","0.003","67.843","0.003","2482.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50.98 N6 O26 S4 -","- C41 H50.986 N6 O26 S4 -","- C82 H101.972 N12 O52 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0557","0.045","","","0.1105","0.1176","","","","","","0.863","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219278","20.2344","0.0004","15.2501","0.0003","17.8339","0.0003","90","","107.069","0.002","90","","5260.72","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H59 N6 O27 S4 -","- C43 H59 N6 O27 S4 -","- C172 H236 N24 O108 S16 -","4","0.5","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0842","0.0782","","","0.2011","0.2071","","","","","","0.892","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219279","11.213","0.002","22.602","0.004","8.0287","0.0016","90","","98.034","0.004","90","","2014.8","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 S2 -","- C18 H20 Ag Cl N2 O4 S2 -","- C72 H80 Ag4 Cl4 N8 O16 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0487","0.0428","","","0.0999","0.1022","","","","","","1.199","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219280","7.7301","0.0006","9.3388","0.0005","14.2614","0.0008","102.835","0.005","102.369","0.006","95.408","0.006","969.57","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","1","0.5","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.035","0.0301","","","0.0638","0.067","","","","","","1.042","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219281","11.488","0.004","23.359","0.009","7.938","0.003","90","","95.257","0.006","90","","2121.2","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag F6 N2 P S2 -","- C18 H20 Ag F6 N2 P S2 -","- C72 H80 Ag4 F24 N8 P4 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0975","0.0804","","","0.1754","0.1833","","","","","","1.167","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219282","10.488","0.002","23.158","0.005","8.6272","0.0015","90","","102.906","0.004","90","","2042.4","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 Se2 -","- C18 H20 Ag Cl N2 O4 Se2 -","- C72 H80 Ag4 Cl4 N8 O16 Se8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0456","0.0279","","","0.0496","0.055","","","","","","1.038","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219283","8.51314","0.0001","22.6458","0.0003","22.5566","0.0003","90","","98.0482","0.0012","90","","4305.79","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C144 H160 Ag8 F48 N16 P8 Se16 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0491","0.0534","","","","","","0.671","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219296","10.61","0.0005","11.804","0.0005","20.698","0.0005","90","","102.821","0.005","90","","2527.6","0.18","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H15 Co2 N15 O44.5 Si W12 -","- C10 H15 Co2 N15 O44.5 Si W12 -","- C20 H30 Co4 N30 O89 Si2 W24 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0891","0.0481","","","0.0927","0.1058","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219297","13.088","0.0005","13.764","0.0005","15.963","0.0005","99.833","0.005","99.52","0.005","101.798","0.005","2713.05","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1062","0.0574","","","0.1156","0.1401","","","","","","1.003","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219298","11.551","0.0005","12.13","0.0005","14.286","0.0005","94.156","0.005","105.714","0.005","106.035","0.005","1828.27","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 Ge N24 O55 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1178","0.0685","","","0.1697","0.2041","","","","","","1.034","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219299","11.535","0.0005","12.091","0.0005","14.313","0.0005","94.051","0.005","105.611","0.005","105.77","0.005","1827.83","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 N24 O55 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0904","0.0688","","","0.1701","0.1862","","","","","","1.029","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219300","19.144","0.0005","23.388","0.0005","22.86","0.0005","90","","102.838","0.005","90","","9979.5","0.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H118 Co11 K2 N42 Na2 O169 P4 W36 -","- C28 H38 Co11 K2 N42 Na2 O152 P4 W36 -","- C56 H76 Co22 K4 N84 Na4 O304 P8 W72 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0955","0.0681","","","0.1558","0.17","","","","","","1.071","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219301","24.871","0.0002","14.2534","0.0001","20.828","0.0002","90","","125.026","0.003","90","","6046.2","0.2","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H49 Cu6 N18 O54 P S W9 -","- C12 H13 Cu6 N18 O40.9998 P S W9 -","- C48 H52 Cu24 N72 O163.999 P4 S4 W36 -","4","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71073","MoKα","","0.0835","0.0536","","","0.143","0.1649","","","","","","1.064","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219307","26.859","0.005","10.5583","0.0019","15.311","0.003","90","","119.508","0.002","90","","3778.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate THF solvate","","","- C49 H42 N2 O7 -","- C49 H42 N2 O7 -","- C196 H168 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0761","0.049","","","0.1066","0.122","","","","","","1.029","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219308","26.804","0.004","10.6999","0.0016","15.194","0.002","90","","119.868","0.002","90","","3778.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate 1,4-dioxane solvate","","","- C49 H42 N2 O8 -","- C49 H42 N2 O8 -","- C196 H168 N8 O32 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0891","0.0507","","","0.1062","0.1229","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219309","27.277","0.01","10.398","0.004","15.424","0.006","90","","119.02","0.004","90","","3825","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-phenylpyridinium pamoate DMSO solvate","","- C47 H34 N2 O7 S -","- C47 H34 N2 O7 S -","- C188 H136 N8 O28 S4 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.082","0.054","","","0.1454","0.1643","","","","","","1.025","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219310","27.121","0.006","10.418","0.002","15.424","0.003","90","","118.915","0.003","90","","3814.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate acetone solvate","","","- C48 H40 N2 O7 -","- C48 H40 N2 O7 -","- C192 H160 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.1206","0.0571","","","0.111","0.1381","","","","","","0.987","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219311","27.355","0.007","10.464","0.003","15.401","0.004","90","","119.512","0.003","90","","3836.4","1.8","101","2","101","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate DMF solvate","","","- C47.65 H40.17 N2.88 O7 -","- C47.645 H40.174 N2.881 O7 -","- C190.58 H160.696 N11.524 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0927","0.0667","","","0.1588","0.1716","","","","","","1.061","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219312","7.7618","0.0007","17.3278","0.0016","18.8269","0.0017","90","","99.867","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0652","0.0433","","","0.0994","0.1114","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219313","11.0358","0.0019","13.172","0.002","17.721","0.003","90","","101.056","0.002","90","","2528.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0584","0.0429","","","0.101","0.1098","","","","","","1.052","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219314","18.999","0.0008","18.999","0.0008","37.095","0.0019","90","","90","","120","","11596","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H57 Cu N5 O11 -","- C34 H46 Cu N4 O8 -","- C306 H414 Cu9 N36 O72 -","9","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71069","MoKα","","0.076","0.0543","","","0.1557","0.165","","","","","","0.966","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219315","9.651","0.001","15.7906","0.0012","12.8901","0.0011","90","","92.055","0.009","90","","1963.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cu N4 O11 -","- C34 H46 Cu N4 O8 -","- C68 H92 Cu2 N8 O16 -","2","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71073","MoKα","","0.1786","0.1154","","","0.2231","0.2404","","","","","","1.186","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219316","7.0051","0.0003","7.0051","0.0003","5.4758","0.0002","90","","90","","120","","232.706","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0269","0.0269","","","0.0724","0.0724","","","","","","0.668","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219317","7.0045","0.0003","7.0045","0.0003","5.4789","0.0003","90","","90","","120","","232.797","0.019","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0184","0.0181","","","0.0522","0.0526","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219318","7.0047","0.0002","7.0047","0.0002","5.4772","0.0003","90","","90","","120","","232.739","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.077","0.077","","","0.2202","0.2202","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219319","7.0055","0.0003","7.0055","0.0003","5.4774","0.0002","90","","90","","120","","232.8","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0547","0.055","","","","","","1.146","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219321","13.1356","0.0007","13.2969","0.0007","14.4976","0.0007","108.632","0.005","92.585","0.004","97.24","0.004","2370.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H64 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0853","0.068","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219322","11.3945","0.0005","14.8843","0.0008","15.869","0.0007","64.69","0.005","89.747","0.004","89.661","0.004","2433","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H76 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0796","0.0527","","","0.0953","0.1066","","","","","","1.108","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219323","18.1541","0.0012","18.1541","0.0012","27.843","0.004","90","","90","","120","","7946.9","1.4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H89 Cd6 Cl N12 O50.5 -","- C84 H88.98 Cd6 Cl N12 O50.5 -","- C252 H266.94 Cd18 Cl3 N36 O151.5 -","3","0.166667","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0411","0.0319","","","0.097","0.1037","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219324","18.211","0.003","5.1283","0.001","13.915","0.003","90","","96.803","0.002","90","","1290.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu2 N2 O8 -","- C12 H8 Cu2 N2 O8 -","- C48 H32 Cu8 N8 O32 -","4","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0391","0.0296","","","0.0724","0.0777","","","","","","1.022","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219325","6.2937","0.0016","6.8393","0.0017","9.545","0.004","99.689","0.004","90.764","0.004","116.946","0.003","359.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","1","0.5","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0405","0.0338","","","0.0813","0.0849","","","","","","1.073","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219326","12.1868","0.0013","12.4222","0.0013","15.4307","0.0016","77.399","0.001","88.583","0.001","85.884","0.001","2273.8","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cu2 N6 O21 -","- C38 H48 Cu2 N6 O21 -","- C76 H96 Cu4 N12 O42 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0559","0.0395","","","0.0981","0.1078","","","","","","1.03","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219327","4.785","0.007","9.33","0.014","14.53","0.02","89.807","0.016","81.067","0.016","77.496","0.016","625.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N2 O8 -","- C12 H10 Cu N2 O8 -","- C24 H20 Cu2 N4 O16 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0324","0.0282","","","0.075","0.0777","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219337","9.9709","0.0008","10.8286","0.0007","16.093","0.0015","99.983","0.003","98.899","0.003","109.619","0.002","1568.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl3 F2 O6 P W -","- C32 H20 Cl3 F2 O6 P W -","- C64 H40 Cl6 F4 O12 P2 W2 -","2","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0354","0.026","","","0.0524","0.0563","","","","","","1.058","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219338","10.6618","0.0003","16.0963","0.0004","16.5683","0.0005","76.9465","0.0016","87.9808","0.0016","86.8159","0.0016","2764.87","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H18 F3 O6 P W -","- C31 H18 F3 O6 P W -","- C124 H72 F12 O24 P4 W4 -","4","2","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0482","0.0362","","","0.0852","0.0898","","","","","","1.005","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219339","36.0465","0.001","9.5603","0.0003","16.5305","0.0004","90","","93.8297","0.0017","90","","5683.9","0.3","123","","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H16 F5 O6 P W -","- C31 H16 F5 O6 P W -","- C248 H128 F40 O48 P8 W8 -","8","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0581","0.0378","","","0.0857","0.0931","","","","","","1.024","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219340","5.9244","0.0007","13.4171","0.0016","29.058","0.004","90","","90","","90","","2309.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1012","0.0882","","","0.2018","0.2097","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219341","15.071","0.005","5.84","0.002","15.398","0.005","90","","118.293","0.006","90","","1193.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1391","0.084","","","0.1765","0.2016","","","","","","1.023","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219342","15.057","0.003","5.826","0.0011","15.588","0.003","90","","117.035","0.003","90","","1218","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C54 H62 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0793","0.0644","","","0.148","0.1558","","","","","","1.097","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219343","15.102","0.003","5.848","0.0009","15.421","0.003","90","","113.81","0.003","90","","1246","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C56 H66 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0373","0.0339","","","0.083","0.0862","","","","","","1.027","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219344","17.707","0.0002","14.7731","0.0002","37.6605","0.0004","90","","101.434","0.001","90","","9656","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H212 N2 O54 P4 S8 -","- C176 H158 N2 O53.9998 P4 S8 -","- C352 H316 N4 O108 P8 S16 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the organization of phosphonium cations relative to p-sulfonatocalix[4]arene anions","CrystEngComm","2015","17","7","1526","","10.1039/C4CE02086C","","","1.54178","CuKα","","0.1338","0.1197","","","0.2734","0.2808","","","","","","1.032","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219345","6.7039","0.0002","14.9481","0.0004","9.6177","0.0002","90","","98.9365","0.0018","90","","952.1","0.04","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C32 H32 O32 -","8","2","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.04","0.035","","0.0865","0.077","0.0851","","","","","","1.0572","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219346","5.2399","0.0002","7.4388","0.0003","11.7763","0.0004","90","","90","","90","","459.02","0.03","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.0424","0.0417","","0.0929","0.0921","0.0929","","","","","","0.9594","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219347","13.1493","0.0004","16.19","0.0005","19.3364","0.0006","66.7678","0.001","70.8605","0.0009","87.8194","0.0009","3553.78","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H70 Cl Ir2 N8 O19 Pb -","- C77 H70 Cl Ir2 N8 O19 Pb -","- C154 H140 Cl2 Ir4 N16 O38 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0971","0.0672","","","0.1801","0.2108","","","","","","1.062","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219348","29.4296","0.0007","8.7352","0.0002","30.6568","0.0007","90","","99.2586","0.0007","90","","7778.4","0.3","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C296 H284 Cl2 Ir8 N40 O74 Pb4 -","2","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0539","0.0429","","","0.1263","0.1368","","","","","","1.092","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219349","13.0965","0.0002","16.9698","0.0003","19.3066","0.0003","67.1073","0.0009","71.2175","0.001","88.2966","0.001","3719.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H73 Ir2 N9 O15 Pb -","- C79 H73 Ir2 N9 O15 Pb -","- C158 H146 Ir4 N18 O30 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0891","0.0478","","","0.1181","0.135","","","","","","1.02","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219350","8.7126","0.0002","18.2978","0.0004","22.6191","0.0005","87.0367","0.0009","83.5709","0.0009","79.003","0.001","3515.79","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H122 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","1","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0849","0.0449","","","0.0925","0.1119","","","","","","1.056","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219372","19.637","0.002","9.4274","0.001","5.7239","0.0005","90","","93.912","0.003","90","","1057.17","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 K2 N2 O6 -","- C20 H24 K2 N2 O6 -","- C40 H48 K4 N4 O12 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1078","0.051","","","0.0923","0.1115","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219373","6.0077","0.0009","16.128","0.003","9.1598","0.0017","90","","104.63","0.005","90","","858.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1174","0.0595","","","0.1259","0.1533","","","","","","0.997","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219374","17.666","0.007","24.302","0.006","6.013","0.0012","90","","100.76","0.04","90","","2536.1","1.3","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H56 N6 O12 Zn3 -","- C46 H56 N6 O12 Zn3 -","- C92 H112 N12 O24 Zn6 -","2","0.25","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.7109","Synchrotron","","0.0778","0.0639","","","0.1661","0.1758","","","","","","1","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219375","11.99","0.003","18.125","0.004","12.239","0.003","90","","105.173","0.004","90","","2567","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O9 Zn2 -","- C24 H17 N6 O9 Zn2 -","- C96 H68 N24 O36 Zn8 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0656","0.0591","","","0.1593","0.1685","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219376","34.838","0.009","13.738","0.003","25.355","0.006","90","","90.058","0.004","90","","12135","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cd2 N17 O14 -","- C47 H49 Cd2 N17 O14 -","- C376 H392 Cd16 N136 O112 -","8","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0926","0.0769","","","0.2052","0.2191","","","","","","1.017","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219377","21.139","0.004","13.704","0.002","21.81","0.004","90","","107.006","0.003","90","","6041.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Cd2 N18 O16 -","- C50 H56 Cd2 N18 O16 -","- C200 H224 Cd8 N72 O64 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0919","0.0804","","","0.2084","0.2204","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219378","11.328","0.004","24.951","0.007","13.624","0.005","90","","114.073","0.004","90","","3516","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cd N8 O7 -","- C33 H32 Cd N8 O7 -","- C132 H128 Cd4 N32 O28 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0796","0.0573","","","0.1418","0.1606","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219379","19.5639","0.0004","19.5639","0.0004","26.8732","0.0009","90","","90","","120","","8907.6","0.4","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C69 H57.5 Cd3 N26.5 O14 -","- C69 H57.5 Cd3 N26.5 O14 -","- C276 H230 Cd12 N106 O56 -","4","0.333333","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0685","0.0626","","","0.1587","0.163","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219391","23.89","0.0003","13.3719","0.0001","23.1855","0.0003","90","","101.232","0.001","90","","7264.85","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H60 Cl N12 Ni2 O24 Ta -","- C66 H60 Cl N12 Ni2 O24 Ta -","- C264 H240 Cl4 N48 Ni8 O96 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0517","0.05","","","0.1406","0.1419","","","","","","1.094","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219392","14.9775","0.0002","21.8439","0.0002","22.3074","0.0003","90","","90","","90","","7298.25","0.15","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H58 Cl N12 Ni2 O25 Ta -","- C66 H58 Cl N12 Ni2 O25 Ta -","- C264 H232 Cl4 N48 Ni8 O100 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","0.71073","MoKα","","0.047","0.036","","","0.0774","0.0793","","","","","","0.965","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219393","9.2921","0.0003","12.8702","0.0003","18.9812","0.0005","84.66","0.002","75.969","0.002","85.056","0.002","2187.94","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 Ni2 O14 -","- C44 H34 N10 Ni2 O14 -","- C88 H68 N20 Ni4 O28 -","2","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0509","0.0432","","","0.1218","0.1352","","","","","","1.059","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219407","7.3985","0.0005","7.516","0.0005","13.5827","0.0009","100.737","0.001","93.491","0.001","103.171","0.001","718.32","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.052","0.0437","","","0.1327","0.1384","","","","","","1.074","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219408","8.0716","0.0009","9.9236","0.0012","11.1322","0.0013","65.872","0.001","80.149","0.002","74.023","0.002","780.6","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C34 H36 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.0645","0.0575","","","0.1665","0.1754","","","","","","1.089","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219409","7.811","0.002","12.55","0.004","16.146","0.005","94.579","0.005","91.539","0.004","98.774","0.005","1558","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N8 O4 -","- C33 H34 N8 O4 -","- C66 H68 N16 O8 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.097","0.0645","","","0.1692","0.1986","","","","","","0.903","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219427","9.8829","0.0004","13.787","0.007","6.0816","0.0003","90","","90","","90","","828.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0405","0.0358","","","0.0833","0.0876","","","","","","1.097","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219428","9.431","0.0008","12.826","0.016","5.6952","0.0005","90","","90","","90","","688.9","0.9","293","2","293","2","","","6300000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0594","0.055","","","0.1494","0.1561","","","","","","1.195","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219429","5.2593","0.0014","13.1","0.04","4.7408","0.001","90","","94.32","0.03","90","","325.7","1","293","2","293","2","","","6200000","50000","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1544","0.1358","","","0.4099","0.4384","","","","","","2.091","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219430","9.1235","0.0014","12.78","0.02","5.7014","0.0011","90","","90","","90","","664.8","1.1","293","2","293","2","","","8030000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1083","0.0812","","","0.206","0.2498","","","","","","1.138","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219431","9.671","0.002","16.721","0.003","9.76","0.002","90","","94.855","0.004","90","","1572.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Coordination polymer","","","- C14 H14 Cu N4 O4 S -","- C14 H14 Cu N4 O4 S -","- C56 H56 Cu4 N16 O16 S4 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.0854","0.0535","","","0.1265","0.1625","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219432","9.927","0.005","9.945","0.005","11.752","0.005","94.242","0.005","104.517","0.005","98.603","0.005","1103","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","coordination polymer","","","- C24 H18 Cu N4 O4 S -","- C24 H18 Cu N4 O4 S -","- C48 H36 Cu2 N8 O8 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71069","MoKα","","0.0856","0.0574","","","0.1414","0.1978","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219433","10.07","0.005","10.681","0.006","18.871","0.012","85.22","0.02","74.62","0.02","71.56","0.02","1856.5","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Coordination Polymer","","","- C38 H28 Cu2 N4 O8 S -","- C38 H28 Cu2 N4 O8 S -","- C76 H56 Cu4 N8 O16 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71075","MoKα","","0.1053","0.0948","","","0.1834","0.1894","","","","","","1.187","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219434","16.724","0.003","15.975","0.003","18.456","0.004","90","","91.46","0.03","90","","4929.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination Polymer","","","- C48 H44 Cu2 N8 O13 S2 -","- C48 H36 Cu2 N8 O9 S2 -","- C192 H144 Cu8 N32 O36 S8 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.1611","0.0734","","","0.1926","0.228","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219455","9.6655","0.0019","11.002","0.002","15.304","0.003","108.95","0.03","95.14","0.03","109.32","0.03","1416.7","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H28 O22 U2 -","- C16 H10 O13 U2 -","- C32 H20 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0775","0.0521","","","0.1405","0.1778","","","","","","1.108","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219456","10.663","0.002","11.09","0.002","14.718","0.003","106.88","0.03","95.76","0.03","112.99","0.03","1487.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N3 O18 U2 -","- C22 H26 N3 O18 U2 -","- C44 H52 N6 O36 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0461","0.0379","","","0.0934","0.0988","","","","","","1.073","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219457","9.6416","0.0019","10.973","0.002","15.997","0.003","109.52","0.03","91.56","0.03","109.61","0.03","1484","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N3 O13 U2 -","- C22 H28 N3 O13 U2 -","- C44 H56 N6 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.1189","0.0761","","","0.1603","0.198","","","","","","1.023","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219458","19.703","0.004","9.5197","0.0019","20.127","0.004","90","","106.26","0.03","90","","3624.2","1.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 O31 U2 -","- C16 H10 O15 U2 -","- C64 H40 O60 U8 -","4","0.5","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0874","0.0576","","","0.1451","0.1917","","","","","","1.153","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219459","16.7454","0.0009","8.159","0.0005","20.5264","0.0011","90","","96.749","0.001","90","","2785","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Ag2 N4 O4 -","- C31 H26 Ag2 N4 O4 -","- C124 H104 Ag8 N16 O16 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0319","0.0265","","","0.0661","0.0701","","","","","","1.027","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219460","10.931","0.002","11.727","0.002","11.928","0.002","98.983","0.003","101.005","0.002","115.316","0.003","1307.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N5 O7 -","- C27 H25 Cd N5 O7 -","- C54 H50 Cd2 N10 O14 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.1119","0.0624","","","0.1268","0.1644","","","","","","0.974","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219461","9.5556","0.0004","12.1747","0.0002","12.9664","0.0003","84.089","0.002","89.206","0.003","88.552","0.002","1499.87","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Br4 Cd N4 O5 -","- C27 H22 Br4 Cd N4 O5 -","- C54 H44 Br8 Cd2 N8 O10 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.062","0.0541","","","0.1431","0.1476","","","","","","1.127","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219462","9.3237","0.0004","11.4454","0.0005","13.6744","0.0006","66.862","0.004","78.859","0.003","85.704","0.004","1316.57","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O9 Zn2 -","- C29 H24 N4 O9 Zn2 -","- C58 H48 N8 O18 Zn4 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0327","0.026","","","0.0614","0.0645","","","","","","1.035","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219463","13.8342","0.0009","20.8728","0.0013","14.2205","0.0009","90","","112.779","0.001","90","","3786","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 N4 O8 Zn2 -","- C40 H33 N4 O7 Zn2 -","- C160 H132 N16 O28 Zn8 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0619","0.0387","","","0.0874","0.0943","","","","","","1.003","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219464","11.7886","0.0005","9.8051","0.0004","12.5957","0.0008","90","","93.596","0.005","90","","1453.05","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C27 H22 Br4 N4 O5 Zn -","- C27 H22 Br4 N4 O5 Zn -","- C54 H44 Br8 N8 O10 Zn2 -","2","0.5","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0418","0.0321","","","0.0716","0.0771","","","","","","1.045","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219465","33.175","0.004","33.175","0.004","33.175","0.004","90","","90","","90","","36512","8","223","2","223","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C26 H15 Cu O5 -","- C26 H15 Cu O5 -","- C624 H360 Cu24 O120 -","24","0.5","","Duan, Jingui; Li, QianQian; Lu, Zhiyong","A new mesoporous coordination polymer: synthesis, structure, and gas adsorption studies","CrystEngComm","2015","17","10","2087","","10.1039/C5CE00015G","","","0.71073","MoKα","","0.1142","0.1052","","","0.3358","0.3554","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219466","15.3327","0.0004","9.5934","0.0002","15.4363","0.0004","90","","97.199","0.002","90","","2252.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Be2 N2 O16 P4 -","- C12 H20 Be2 N2 O16 P4 -","- C48 H80 Be8 N8 O64 P16 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0902","0.0888","","","0.25","0.2515","","","","","","1.066","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219467","22.8218","0.0003","21.5546","0.0003","9.492","0.0001","90","","91.3","0.001","90","","4668.05","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Be2 N2 O16 P4 -","- C14 H21 Be2 N2 O16 P4 -","- C112 H168 Be16 N16 O128 P32 -","8","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.068","0.0631","","","0.1747","0.1812","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219468","14.6958","0.0004","11.6451","0.0004","20.5912","0.0006","90","","93.811","0.002","90","","3516.06","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H27 Be5 N4 O28 P7 -","- C20 H27 Be5 N4 O28 P7 -","- C80 H108 Be20 N16 O112 P28 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","0.71073","MoKα","","0.0472","0.0415","","","0.0926","0.0955","","","","","","1.069","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219469","4.8173","0.0003","12.0871","0.0007","12.6085","0.0009","62.332","0.007","79.518","0.005","84.052","0.005","639.2","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Be3 N O13 P3 -","- C5 H6 Be3 N O13 P3 -","- C10 H12 Be6 N2 O26 P6 -","2","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0804","0.0765","","","0.2028","0.2092","","","","","","1.076","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219470","10.42385","0.00017","10.42385","0.00017","21.7533","0.0002","90","","90","","120","","2046.97","0.05","295","","295","","","","","","","","","3","P 31","P 31","144","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","2","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","1.5418","CuKα","","","","","","","","","13.4694","4.3639","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219471","5.55795","0.00014","7.25941","0.00012","7.726","0.0002","84.431","0.002","71.913","0.003","80.163","0.002","291.642","0.013","295","","295","","","","","","","","","3","P -1","-P 1","2","pyrimidine-2-carboximidamide","pyrimidine-2-carboximidamide","","- C5 H6 N4 -","- C5 H6 N4 -","- C10 H12 N8 -","2","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","16.3048","93.25","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219472","3.97105","0.00006","8.1277","0.00014","16.0709","0.0003","90","","90","","90","","518.696","0.015","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-cyanopyrimidine","2-cyanopyrimidine","","- C5 H3 N3 -","- C5 H3 N3 -","- C20 H12 N12 -","4","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","11.1463","29.33","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219473","10.4339","0.001","10.4339","0.001","21.467","0.002","90","","90","","120","","2023.9","0.3","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","","","0.71073","MoKα","","0.1748","0.1119","","","0.2604","0.3366","","","","","","1.015","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219474","40.11","0.005","40.11","0.005","40.11","0.005","90","","90","","90","","64529","14","298","2","298","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C132 H79 N3 O66 Pb13 S24 -","- C120 H24 O57 Pb13 S24 -","- C1920 H384 O912 Pb208 S384 -","16","0.0833333","","Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue","Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages","CrystEngComm","2015","17","10","2080","","10.1039/C4CE02207F","","","0.71073","MoKα","","0.0764","0.0504","","","0.1403","0.1463","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219475","10.0139","0.0007","11.6798","0.0009","17.7036","0.0013","82.36","0.001","87.038","0.001","69.44","0.001","1921.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 Cl3 N4 O8 -","- C41 H39 Cl3 N4 O8 -","- C82 H78 Cl6 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0766","0.0479","","","0.1163","0.1347","","","","","","1.006","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219476","11.2616","0.0007","12.427","0.0008","15.9572","0.001","68.17","0.001","74.522","0.001","65.9","0.001","1874.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N4 O8 -","- C41 H40 Cl2 N4 O8 -","- C82 H80 Cl4 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0722","0.0566","","","0.1803","0.2031","","","","","","1.07","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219477","8.7063","0.001","11.0579","0.0013","20.271","0.002","99.383","0.002","98.246","0.002","95.472","0.002","1891.4","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O9 -","- C41 H42 N4 O9 -","- C82 H84 N8 O18 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0857","0.0632","","","0.19","0.2025","","","","","","1.096","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219478","9.9019","0.0012","14.5729","0.0018","27.372","0.003","94.424","0.002","97.048","0.002","100.801","0.002","3830.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O9.5 -","- C43 H44 N4 O9.5 -","- C172 H176 N16 O38 -","4","2","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0692","0.0547","","","0.1576","0.1771","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219479","13.3706","0.0017","24.587","0.003","13.486","0.0017","90","","117.75","0.002","90","","3923.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O9 -","- C42 H42 N4 O9 -","- C168 H168 N16 O36 -","4","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.1003","0.0668","","","0.1783","0.211","","","","","","1.017","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219480","8.3355","0.0007","10.7168","0.0009","19.0538","0.0018","90","","95.094","0.001","90","","1695.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N2 O10 Zn2 -","- C38 H24 N2 O10 Zn2 -","- C76 H48 N4 O20 Zn4 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0869","0.0425","","","0.0729","0.0846","","","","","","0.879","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219481","12.4477","0.001","11.2748","0.0007","13.6629","0.0016","90","","107.632","0.002","90","","1827.4","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 N2 Ni O14 -","- C38 H34 N2 Ni O14 -","- C76 H68 N4 Ni2 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.1014","0.0535","","","0.094","0.1207","","","","","","1.042","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219497","7.48732","0.00015","9.95589","0.00019","33.0328","0.0008","90","","90","","90","","2462.36","0.09","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 F6 N2 O2 -","- C27 H30 F6 N2 O2 -","- C108 H120 F24 N8 O8 -","4","1","","Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.","Phase transition studies of dutasteride crystalline forms","CrystEngComm","2015","17","11","2346","","10.1039/C5CE00036J","","","1.54184","CuKα","","0.0465","0.0367","","","0.0824","0.0869","","","","","","1.04","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219498","11.7715","0.0005","13.0448","0.0007","16.0517","0.0006","90","","101.761","0.004","90","","2413.1","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl4 N6 O7 Zn2 -","- C46 H32 Cl4 N6 O7 Zn2 -","- C92 H64 Cl8 N12 O14 Zn4 -","2","0.5","","Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","A photoactive porous metal‒organic complex: synthesis, crystal morphology and the influence of photocycloaddition on fluorescence properties and adsorption behavior","CrystEngComm","2015","17","11","2353","","10.1039/C4CE02507E","","","1.54184","CuKα","","0.0658","0.0568","","","0.1688","0.1801","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219499","52.623","0.003","52.623","0.003","52.623","0.003","90","","90","","90","","145723","14","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C58 H45.33 N2 O36.17 Zn8 -","- C58 H21 N2 O36.1667 Zn8 -","- C2784 H1008 N96 O1736 Zn384 -","48","1","","Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming","Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages","CrystEngComm","2015","17","9","1923","","10.1039/C4CE02415J","","","0.71073","MoKα","","0.1423","0.086","","","0.2331","0.3012","","","","","","1.096","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219500","12.0295","0.0004","12.0295","0.0004","8.0824","0.0004","90","","90","","90","","1169.59","0.08","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0344","0.0306","","","0.0696","0.0716","","","","","","1.068","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219501","21.3459","0.0007","18.6413","0.0006","5.93539","0.00019","90","","90","","90","","2361.78","0.13","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H11 N O -","- C5 H11 N O -","- C80 H176 N16 O16 -","16","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0285","0.0271","","","0.0686","0.0694","","","","","","1.062","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219502","5.38","0.0002","20.4924","0.0011","6.4026","0.0003","90","","101.745","0.005","90","","691.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0387","0.03","","","0.064","0.0687","","","","","","1.048","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219503","11.5417","0.0012","5.0515","0.0005","21.0649","0.0015","90","","90","","90","","1228.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C44 H88 N8 O8 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0509","0.0399","","","0.0825","0.0877","","","","","","1.044","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219504","10.4947","0.001","11.9","0.0011","16.836","0.002","76.943","0.01","81.326","0.01","68.873","0.009","1905","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C66 H132 N12 O24 -","6","3","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.1017","0.054","","","0.1059","0.1144","","","","","","0.905","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219505","16.646","0.006","18.345","0.007","16.309","0.006","90","","108.893","0.004","90","","4712","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N4 O20 Zn3 -","- C44 H42 N4 O20 Zn3 -","- C176 H168 N16 O80 Zn12 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0687","0.0473","","","0.1199","0.1342","","","","","","0.954","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219506","12.145","0.011","30.72","0.03","22.75","0.02","90","","94","0.012","90","","8467","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 O25 Zn5 -","- C52 H34 N2 O25 Zn5 -","- C208 H136 N8 O100 Zn20 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0792","0.0619","","","0.1885","0.2021","","","","","","0.934","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219515","7.1603","0.0002","7.2376","0.0002","7.495","0.0003","63.2313","0.0014","69.7053","0.0014","64.984","0.0015","308.331","0.018","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0359","0.0313","","","0.0815","0.0848","","","","","","1.018","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219516","7.3267","0.0002","6.6413","0.0002","12.6512","0.0004","90","","92.2254","0.0015","90","","615.13","0.03","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0284","0.0254","","","0.0743","0.0764","","","","","","1.039","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219517","3.6779","0.0001","6.9371","0.0001","7.0372","0.0002","61.6975","0.0014","80.0002","0.0012","89.5122","0.0012","155.117","0.007","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","1","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0165","0.0164","","","0.0461","0.0461","","","","","","1.099","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219543","10.337","0.002","11.655","0.002","13.504","0.003","90","","108.17","0.03","90","","1545.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H45.5 Cl2 N2 O14.5 -","- C21 H46 Cl2 N2 O14.5 -","- C42 H92 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1361","0.0916","","","0.2373","0.2601","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219544","10.432","0.013","11.734","0.014","13.639","0.016","90","","108.53","0.02","90","","1583","3","368","2","368","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Cl2 N2 O14.5 -","- C21 H45.5 Cl2 N2 O14.5 -","- C42 H91 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1254","0.0894","","","0.2177","0.2532","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219545","15.0933","0.0002","15.0933","0.0002","10.0587","0.0002","90","","90","","90","","2291.45","0.06","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Ba Li2 N6 O10 -","- C16 H18 Ba Li2 N6 O10 -","- C64 H72 Ba4 Li8 N24 O40 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.04","0.0252","","","0.047","0.0542","","","","","","1.008","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219546","14.7246","0.0002","14.7246","0.0002","10.2236","0.0003","90","","90","","90","","2216.62","0.08","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Li2 N6 O10 Sr -","- C16 H18 Li2 N6 O10 Sr -","- C64 H72 Li8 N24 O40 Sr4 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0531","0.057","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219547","10.8783","0.0003","28.3945","0.0007","9.2141","0.0002","90","","90","","90","","2846.09","0.12","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","none","","","- C14 H13.33333 Ba Li2 N5.33333 O9.33333 -","- C14 H13.3333 Ba Li2 N5.33333 O9.33333 -","- C84 H80 Ba6 Li12 N32 O56 -","6","1.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0398","0.0326","","","0.0585","0.0622","","","","","","1.006","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7219555","8.8372","0.0002","9.5138","0.0002","18.1928","0.0004","81.938","0.001","77.483","0.001","68.091","0.001","1382.39","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","1","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.0372","0.0317","","","0.0673","0.0698","","","","","","1.023","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219556","5.3536","0.0005","10.1811","0.0009","17.2836","0.0015","95.641","0.004","97.596","0.005","90.246","0.006","929.12","0.14","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8 -","- C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8 -","- C25.9994 H20.6662 Cr0.6666 N0.6666 Na0.6666 O8.6658 S16 -","2","2","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.2085","0.1145","","","0.2357","0.2806","","","","","","1.587","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219557","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.1754","0.099","","","0.2","0.2413","","","","","","1.068","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219563","7.516","0.004","13.068","0.006","14.645","0.007","90","","99.759","0.011","90","","1417.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu4 N6 O18 -","- C24 H24 Cu4 N6 O18 -","- C48 H48 Cu8 N12 O36 -","2","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0905","0.0645","","","0.1527","0.1762","","","","","","1.074","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219564","6.895","0.003","8.881","0.004","13.473","0.006","98.359","0.011","99.914","0.012","94.388","0.009","799.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","1","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0996","0.071","","","0.1699","0.1924","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219565","8.4824","0.0017","11.011","0.002","18.583","0.004","78.75","0.03","81.03","0.03","69.88","0.03","1591","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd3 N6 O18 -","- C24 H26 Cd3 N6 O18 -","- C48 H52 Cd6 N12 O36 -","2","1","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.71075","MoKα","","0.0584","0.0434","","","0.1023","0.1102","","","","","","1.063","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219566","7.052","0.002","8.324","0.003","13.41","0.004","90","","102.299","0.006","90","","769.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LIGAND ZWITTER ION","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0602","0.0486","","","0.1357","0.1669","","","","","","1.165","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219567","8.491","0.0017","8.041","0.0016","18.847","0.004","90","","101.16","0.03","90","","1262.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Zn monomer","","","- C7 H13 Cl N2 O7 Zn -","- C7 H13 Cl N2 O7 Zn -","- C28 H52 Cl4 N8 O28 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0455","0.0397","","","0.1079","0.1135","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219568","22.552","0.005","10.123","0.002","13.594","0.003","90","","90","","90","","3103.4","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Zinc-herringbone","","","- C21 H25 I N6 O14 Zn2 -","- C21 H25 I N6 O14 Zn2 -","- C84 H100 I4 N24 O56 Zn8 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0683","0.0527","","","0.1418","0.1576","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219569","7.9324","0.0013","8.4897","0.0014","10.8444","0.0018","80.027","0.003","72.51","0.003","64.679","0.002","628.78","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ZN DIMER","","","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","1","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0595","0.0534","","","0.1627","0.1792","","","","","","1.091","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219570","15.075","0.002","8.3079","0.0012","16.676","0.003","90","","92.8","0.003","90","","2086","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zINC NITRATE MONOMER","","","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","- C56 H96 N16 O52 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0713","0.0516","","","0.1324","0.1726","","","","","","1.143","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219571","8.8373","0.0008","13.3995","0.0008","13.411","0.001","90","","91.947","0.002","90","","1587.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd DDII","","","- C14 H14 Cd N4 O8 -","- C14 H14 Cd N4 O8 -","- C56 H56 Cd4 N16 O32 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0366","0.0316","","","0.0752","0.1078","","","","","","1.252","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219572","23.7739","0.0006","16.0647","0.0003","11.8936","0.0003","90","","99.029","0.003","90","","4486.13","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H56 N16 S10 Sn3 -","- C16 H56 N16 S10 Sn3 -","- C64 H224 N64 S40 Sn12 -","4","0.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0538","0.0369","","","0.0721","0.0785","","","","","","1.051","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219573","5.93925","0.00012","12.1816","0.0002","12.4709","0.0003","90","","90","","90","","902.26","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 N2 S3 Sn -","- C2 H12 N2 S3 Sn -","- C8 H48 N8 S12 Sn4 -","4","1","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0326","0.0316","","","0.0739","0.0747","","","","","","1.242","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219574","16.98717","0.00013","10.54777","0.00007","21.08715","0.00019","90","","108.039","0.0009","90","","3592.61","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H26.66667 N6 O1.33333 S9 Sn3 -","- H26.6667 N6 O1.33333 S9 Sn3 -","- H160 N36 O8 S54 Sn18 -","6","1.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.018","0.017","","","0.0335","0.0338","","","","","","1.025","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7219585","11.6044","0.0004","13.1169","0.0004","20.4496","0.0009","99.347","0.002","93.793","0.002","113.837","0.002","2779.28","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Mo12 N12 O42 Si -","- C24 H28 Mo12 N12 O42 Si -","- C48 H56 Mo24 N24 O84 Si2 -","2","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0599","0.0382","","","0.0742","0.0825","","","","","","1.037","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219586","13.1126","0.0015","16.1764","0.0019","17.1279","0.0015","90","","123.896","0.006","90","","3015.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu Mo4 N8 O13 -","- C16 H24 Cu Mo4 N8 O13 -","- C64 H96 Cu4 Mo16 N32 O52 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.1062","0.0573","","","0.1219","0.1441","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219587","23.3171","0.0013","15.7546","0.0009","12.0657","0.0007","90","","94.949","0.001","90","","4415.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H59 Mo12 N27 O45 Si -","- C54 H59 Mo12 N27 O45 Si -","- C108 H118 Mo24 N54 O90 Si2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0632","0.0514","","","0.1396","0.1479","","","","","","1.061","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219588","7.068","0.0004","10.3127","0.0005","14.2953","0.0007","81.736","0.003","77.874","0.002","70.655","0.002","958.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","((1Z)-N-(benzylcarbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H21 Fe N3 S -","- C20 H21 Fe N3 S -","- C40 H42 Fe2 N6 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0366","0.0296","","","0.0745","0.0786","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219589","19.7141","0.0014","7.0263","0.0004","28.099","0.002","90","","90.386","0.002","90","","3892.1","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 Cl Fe N3 S -","- C20 H20 Cl Fe N3 S -","- C160 H160 Cl8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0589","0.0358","","","0.0788","0.0895","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219590","7.1685","0.0003","10.3397","0.0004","14.596","0.0006","80.533","0.002","81.113","0.001","70.067","0.002","997.53","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","((1Z)-N-((4-methoxybenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C21 H23 Fe N3 O S -","- C21 H23 Fe N3 O S -","- C42 H46 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0416","0.0306","","","0.0735","0.0799","","","","","","1.045","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219591","18.8634","0.0013","7.1602","0.0005","27.7613","0.0018","90","","92.83","0.004","90","","3745","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-fluorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0609","0.0347","","","0.0714","0.083","","","","","","1.026","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219592","19.0887","0.0009","7.2037","0.0003","27.4267","0.0012","90","","91.056","0.002","90","","3770.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((4-flourobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0448","0.0313","","","0.0718","0.0782","","","","","","1.025","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219603","23.286","0.002","17.2577","0.0016","18.2221","0.0017","90","","126.661","0.003","90","","5874.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd2 N5 O12 -","- C21 H23 Cd2 N5 O12 -","- C168 H184 Cd16 N40 O96 -","8","1","","Xia, Yu-Pei; Li, Yun-Wu; Li, Da-Cheng; Yao, Qing-Xia; Du, Yu-Chang; Dou, Jian-Min","A new Cd(ii)-based metal‒organic framework for highly sensitive fluorescence sensing of nitrobenzene","CrystEngComm","2015","17","12","2459","","10.1039/C5CE00162E","","","0.71073","MoKα","","0.1442","0.0707","","","0.1428","0.1616","","","","","","1.009","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219611","10.7259","0.0009","14.2208","0.0012","14.8907","0.0012","92.508","0.001","93.72","0.001","98.825","0.001","2236.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl6 N6 O8 -","- C44 H42 Cl6 N6 O8 -","- C88 H84 Cl12 N12 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0782","0.0637","","","0.1797","0.1951","","","","","","1.065","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219612","10.8333","0.0015","14.2199","0.0019","15.066","0.002","93.122","0.002","108.057","0.002","99.045","0.002","2165.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 Cl3 F10 N4 O8 -","- C45 H33 Cl3 F10 N4 O8 -","- C90 H66 Cl6 F20 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0876","0.0592","","","0.1666","0.1893","","","","","","1.157","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219613","11.0037","0.0013","13.2032","0.0014","17.428","0.003","89.128","0.002","76.376","0.002","72.207","0.011","2338.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 N6 O10 -","- C46 H46 Cl6 N6 O10 -","- C92 H92 Cl12 N12 O20 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1276","0.107","","","0.2451","0.2575","","","","","","1.136","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219614","11.1774","0.0014","13.9112","0.0018","26.663","0.003","90","","97.601","0.002","90","","4109.4","0.9","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl3 N4 O8 -","- C45 H39 Cl3 N4 O8 -","- C180 H156 Cl12 N16 O32 -","4","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0489","0.0381","","","0.0987","0.104","","","","","","1.083","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219615","12.9379","0.0012","13.0294","0.0012","15.7092","0.0014","114.083","0.001","93.522","0.001","111.344","0.001","2182.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl3 F2 N3 O8.5 -","- C47 H41 Cl3 F2 N3 O8.5 -","- C94 H82 Cl6 F4 N6 O17 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0671","0.055","","","0.1622","0.1746","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219616","13.1674","0.0015","13.8587","0.0016","15.664","0.0018","64.005","0.002","85.984","0.002","67.813","0.002","2363.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H43.5 Cl4.5 N4 O8 -","- C53.5 H43.5 Cl4.52 N4 O8 -","- C107 H87 Cl9.04 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0965","0.0784","","","0.2216","0.2403","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219617","10.9368","0.0013","14.8456","0.0018","15.7583","0.0019","71.07","0.002","89.029","0.002","69.365","0.002","2251.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H43 Cl3 N4 O8 -","- C49 H43 Cl3 N4 O8 -","- C98 H86 Cl6 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1059","0.0565","","","0.1485","0.1818","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219621","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang","Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB)","CrystEngComm","2015","17","12","2569","","10.1039/C4CE02182G","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219622","5.1179","0.0008","12.2079","0.0018","12.7508","0.0019","90","","90","","90","","796.7","0.2","100","2","100","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0273","0.0264","","","0.0628","0.0634","","","","","","1.09","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219623","5.3615","0.0005","15.8123","0.0015","9.9631","0.0009","90","","90.899","0.002","90","","844.54","0.14","100","2","100","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0346","0.0323","","","0.0777","0.079","","","","","","1.049","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219624","6.2475","0.0004","7.1111","0.0006","17.3692","0.0011","90","","96.792","0.005","90","","766.24","0.09","298","2","293","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Hydantoin-5-propionic acid","3-(2,5-dioxoimidazolidin-4-yl) propanoic acid","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C24 H32 N8 O16 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0408","0.0362","","","0.0804","0.0855","","","","","","1.068","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219625","12.7832","0.0001","12.7832","0.0001","32.5345","0.0007","90","","90","","90","","5316.47","0.13","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H74 Cd N8 O12 -","- C80 H64 Cd N8 O12 -","- C160 H128 Cd2 N16 O24 -","2","0.25","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh","A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration","CrystEngComm","2015","17","15","2935","","10.1039/C5CE00037H","","","0.71073","MoKα","","0.1059","0.0574","","","0.1404","0.155","","","","","","0.963","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219639","5.2162","0.0004","12.3693","0.0009","13.1192","0.0009","90","","99.065","0.003","90","","835.89","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine form I","2-methyl-4-amino-quinoline form I","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.1001","0.1062","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219640","28.4074","0.0008","28.4074","0.0008","11.9126","0.0005","90","","90","","120","","8325.3","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","4-aminoquinaldine form II","2-methyl-4-amino-quinoline form II","","- C10.08 H10 Cl0.33 N2 -","- C10.0833 H10 Cl0.3334 N2 -","- C363 H360 Cl12.0024 N72 -","36","2","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0673","0.0564","","","0.1538","0.1637","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219641","8.2583","0.0007","9.0938","0.0007","9.1385","0.0007","88.094","0.005","77.372","0.005","80.171","0.005","659.86","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-bromopyridine)","","- C12 H8 Br Cl N2 O4 -","- C12 H8 Br Cl N2 O4 -","- C24 H16 Br2 Cl2 N4 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0727","0.0562","","","0.1446","0.1579","","","","","","1.007","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219642","9.8994","0.0003","11.937","0.0004","13.4905","0.0006","110.222","0.002","96.641","0.002","107.059","0.001","1387.59","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-bromopyridine)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C48 H36 Br4 Cl4 N12 O16 -","4","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0513","0.0385","","","0.1038","0.1081","","","","","","0.993","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219643","7.0984","0.0002","24.0534","0.0007","15.7748","0.0005","90","","93.424","0.002","90","","2688.59","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-chloropyridine)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C96 H72 Cl16 N24 O32 -","8","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0516","0.0344","","","0.0818","0.0873","","","","","","0.985","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219644","3.737","0.0003","12.6714","0.0011","14.3717","0.0013","90","","94.984","0.002","90","","677.97","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-chloro-4-nitrobenzoic acid)(2-amino-5-nitropyridine)","","- C12 H9 Cl N4 O6 -","- C12 H9 Cl N4 O6 -","- C24 H18 Cl2 N8 O12 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.1057","0.1033","","","0.2886","0.2908","","","","","","1.176","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219645","6.435","0.0002","10.3354","0.0003","11.2546","0.0004","98.577","0.002","105.074","0.001","98.022","0.002","702.11","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-3-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0333","0.0279","","","0.0709","0.0729","","","","","","0.986","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219646","6.1583","0.0002","9.9176","0.0002","11.1477","0.0003","83.332","0.002","76.262","0.001","77.053","0.001","643.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-chloro-3-hydroxypyridine)","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0389","0.0281","","","0.0723","0.0783","","","","","","1.014","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219647","3.9305","0.0002","12.4261","0.0006","13.8457","0.0007","94.312","0.002","91.431","0.002","96.374","0.002","669.77","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0375","0.029","","","0.0661","0.0689","","","","","","0.907","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7219648","3.8601","0.0002","12.3629","0.0006","13.9025","0.0007","93.742","0.002","91.893","0.002","96.066","0.002","657.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-chloropyridinium)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0642","0.0422","","","0.0896","0.0978","","","","","","0.92","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219649","15.5907","0.0012","25.242","0.002","7.1987","0.0006","90","","100.654","0.005","90","","2784.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0591","0.0381","","","0.0933","0.1016","","","","","","0.982","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219650","4.59","0.004","8.336","0.007","15.282","0.013","90","","96.929","0.017","90","","580.5","0.9","100","2","100","2","","","","","","","Isabelle Kirby","4","P 1 21 1","P 2yb","4","1-(4-nitrophenyl)-3-(phenyl)urea","1-(4-nitrophenyl)-3-(phenyl)urea","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0492","0.0448","","","0.1159","0.1185","","","","","","1.071","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219651","5.6328","0.0007","7.7579","0.0009","28.178","0.004","90","","92.324","0.007","90","","1230.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenyl thiourea","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0562","0.0428","","","0.1002","0.1066","","","","","","1.024","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219652","13.8899","0.0018","24.389","0.003","3.6682","0.0004","90","","90","","90","","1242.6","0.3","35","2","35","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,3-bis(4-nitrophenyl)urea","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.0429","0.0424","","","0.1101","0.111","","","","","","1.133","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219653","8.2109","0.0005","25.4709","0.0018","12.5244","0.0009","90","","96.054","0.002","90","","2604.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(4-nitrophenyl)thiourea","","","- C13 H10 N4 O4 S -","- C13 H10 N4 O4 S -","- C104 H80 N32 O32 S8 -","8","2","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0569","0.0502","","","0.1416","0.1463","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219654","8.41","0.006","24.362","0.018","11.143","0.008","90","","106.286","0.007","90","","2191","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitropheny)-3-phenylurea TEACl","","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.057","0.045","","","","0.046","","","","","","1.831","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219655","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.051","0.035","","","","0.045","","","","","","1.746","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219656","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","1,3-bis(4-nitrophenyl)thiourea TEA CL","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.056","0.04","","","","0.057","0.054","","","","","2.556","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219657","8.393","0.002","24.366","0.006","11.151","0.003","90","","106.57","0.005","90","","2185.7","1","100","2","100","2","","","","","","","Isabelle L Kirby","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenylurea with TEACl","1-(4-nitrophenyl)-3-phenylurea with TEACl","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0869","0.0714","","","0.1555","0.1654","","","","","","1.096","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219658","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","Isabelle Kirby","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0341","0.0336","","","0.1082","0.1088","","","","","","1.289","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219659","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0444","0.0436","","","0.1371","0.1377","","","","","","1.632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219669","8.1858","0.0002","11.5886","0.0002","12.1497","0.0002","90","","108.44","0.001","90","","1093.37","0.04","296","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0433","0.0409","","","0.1071","0.1087","","","","","","1.069","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219670","8.0741","0.0002","8.8856","0.0002","10.7962","0.0003","94.179","0.001","107.25","0.001","108.943","0.001","687.28","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0333","","","0.0854","0.088","","","","","","1.081","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219671","8.1184","0.0002","9.9587","0.0003","10.905","0.0003","106.597","0.002","108.702","0.001","100.101","0.002","764.91","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0449","0.0421","","","0.1199","0.1237","","","","","","1.097","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219672","10.8407","0.0002","7.9198","0.0002","17.3513","0.0004","90","","96.968","0.001","90","","1478.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene pyrrolidine disolvate","","- C32 H36 N2 O2 S4 -","- C32 H36 N2 O2 S4 -","- C64 H72 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0357","","","0.0959","0.097","","","","","","1.061","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219673","7.9103","0.0001","8.5838","0.0002","11.5231","0.0002","109.713","0.001","90.629","0.001","115.931","0.001","650.7","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene dioxane solvate","","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0349","0.0324","","","0.0785","0.0795","","","","","","1.042","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219674","8.3478","0.0018","8.0618","0.0017","32.729","0.007","90","","90.315","0.006","90","","2202.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.1203","0.0556","","","0.1037","0.12","","","","","","0.938","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219675","8.2873","0.001","10.6627","0.0012","12.9725","0.0018","97.625","0.007","107.153","0.007","93.365","0.009","1079.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.045","0.0356","","","0.0843","0.0886","","","","","","1.06","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219676","10.6246","0.0003","12.9366","0.0003","16.5166","0.0005","107.177","0.001","93.355","0.002","97.558","0.001","2138.65","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","2","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0994","0.0378","","","0.1076","0.1194","","","","","","0.939","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219677","7.7444","0.0007","8.2359","0.0008","8.8697","0.0008","66.62","0.009","71.005","0.008","82.957","0.008","490.99","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-adipate)-bis(pyridine-4-aldoxime)copper(II)}","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","1","0.5","","Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S.","Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)}","CrystEngComm","2015","17","12","2450","","10.1039/C4CE02444C","","","0.71073","MoKα","","0.0434","0.0393","","","0.0948","0.1","","","","","","0.999","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219679","9.837","0.002","16.124","0.004","8.643","0.003","90","","90","","90","","1370.9","0.6","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1254","0.088","","","0.235","0.2702","","","","","","1.089","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219680","8.3591","0.0003","10.4196","0.0007","19.0455","0.0009","88.407","0.005","88.481","0.003","76.34","0.004","1610.95","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","1","0.5","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0749","0.0468","","","0.1082","0.1247","","","","","","0.991","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219681","8.404","0.0005","11.693","0.001","15.24","0.001","97.881","0.006","93.354","0.005","96.81","0.006","1468.73","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1557","0.0705","","","0.1271","0.1574","","","","","","1.01","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219682","9.188","0.005","13.284","0.007","14.477","0.008","68.21","0.05","81.24","0.04","75.69","0.04","1586.2","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1287","0.0654","","","0.1146","0.1365","","","","","","1.038","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219683","3.8289","0.0001","23.3314","0.0007","7.4554","0.0002","90","","98.153","0.003","90","","659.29","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0272","0.027","","","0.0746","0.0749","","","","","","1.085","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219684","14.8231","0.0009","7.7177","0.0006","25.714","0.002","90","","97.692","0.007","90","","2915.2","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H6 Br2 N2 O4 -","- C14 H6 Br2 N2 O4 -","- C112 H48 Br16 N16 O32 -","8","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.105","0.0491","","","0.1076","0.133","","","","","","0.964","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219685","14.0897","0.0003","4.8183","0.0001","22.6757","0.0003","90","","90.607","0.002","90","","1539.33","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0497","0.0465","","","0.1249","0.1289","","","","","","1.077","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219686","6.975","0.0012","3.876","0.001","23.998","0.003","90","","91.227","0.012","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0839","0.0724","","","0.2049","0.2172","","","","","","1.14","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219687","59.519","0.002","12.942","0.005","7.623","0.002","90","","90","","90","","5872","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C240 H224 N32 O96 -","16","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0503","0.0433","","","0.0973","0.1012","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219688","14.2831","0.0002","29.8625","0.0004","18.2631","0.0003","90","","106.968","0.0017","90","","7450.6","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H74 Ce2 N4 O24 -","- C81 H67 Ce2 N4 O24 -","- C324 H268 Ce8 N16 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0449","0.038","","","0.1012","0.1063","","","","","","1.029","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219689","14.26463","0.00015","29.8504","0.0003","18.2812","0.0002","90","","107.012","0.0012","90","","7443.61","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Pr2 -","- C79.5 H63.5 N3.5 O24 Pr2 -","- C318 H254 N14 O96 Pr8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0514","0.0369","","","0.0812","0.0873","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219690","14.21191","0.00016","29.7396","0.0003","18.3087","0.0003","90","","107.002","0.0014","90","","7400.11","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 Nd2 O24 -","- C79.5 H63 N3.5 Nd2 O24 -","- C318 H252 N14 Nd8 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0558","0.0409","","","0.0988","0.1067","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219691","14.1785","0.0002","29.6106","0.0004","18.3573","0.0003","90","","107.029","0.0017","90","","7369.1","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Sm2 -","- C79.5 H64 N3.5 O24 Sm2 -","- C318 H256 N14 O96 Sm8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.062","0.0393","","","0.0829","0.0917","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219692","14.1379","0.00015","29.5535","0.0003","18.3735","0.0003","90","","107.03","0.0013","90","","7340.29","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Eu2 N3.5 O24 -","- C79.5 H66 Eu2 N3.5 O24 -","- C318 H264 Eu8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0475","0.0356","","","0.0762","0.081","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219693","14.1188","0.00017","29.5116","0.0003","18.3851","0.0003","90","","107.017","0.0014","90","","7325.1","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Gd2 N3.5 O24 -","- C79.5 H67 Gd2 N3.5 O24 -","- C318 H268 Gd8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0477","0.0342","","","0.0746","0.0802","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219694","14.0878","0.0003","29.4702","0.0007","18.4237","0.0004","90","","107.034","0.002","90","","7313.4","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Tb2 -","- C79.5 H66 N3.5 O24 Tb2 -","- C318 H264 N14 O96 Tb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0658","0.0387","","","0.0787","0.0872","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219695","14.042","0.003","29.367","0.006","18.456","0.004","90","","107.15","0.03","90","","7272","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Ho2 N3 O25 -","- C78 H69 Ho2 N3 O25 -","- C312 H276 Ho8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.71073","MoKα","","0.0824","0.0686","","","0.1334","0.1402","","","","","","1.168","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219696","14.0233","0.0004","29.311","0.0008","18.4183","0.0009","90","","107.095","0.004","90","","7236.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Er2 N3 O25 -","- C78 H69 Er2 N3 O25 -","- C312 H276 Er8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0453","0.0358","","","0.0901","0.0954","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219697","14.0088","0.0004","29.2317","0.0006","18.4902","0.0005","90","","107.187","0.003","90","","7233.6","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 N3 O25 Yb2 -","- C78 H67 N3 O25 Yb2 -","- C312 H268 N12 O100 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.1236","0.0654","","","0.0991","0.1177","","","","","","1.008","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219698","19.0994","0.0002","14.41797","0.00017","30.593","0.0005","90","","90","","90","","8424.53","0.19","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Ho2 N5 O26 -","- C84 H75 Ho2 N5 O26 -","- C336 H300 Ho8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.042","0.0348","","","0.0848","0.0897","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219699","19.0983","0.0003","14.4221","0.0003","30.556","0.001","90","","90","","90","","8416.3","0.4","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Er2 N5 O26 -","- C84 H81 Er2 N5 O26 -","- C336 H324 Er8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0612","0.0423","","","0.093","0.1022","","","","","","1.045","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219700","19.08923","0.00019","14.38724","0.00017","30.5462","0.0004","90","","90","","90","","8389.25","0.17","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 N5 O26 Yb2 -","- C84 H74 N5 O26 Yb2 -","- C336 H296 N20 O104 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0478","0.0408","","","0.094","0.0981","","","","","","1.043","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219701","7.4117","0.0004","12.1658","0.0006","14.2115","0.0007","85.918","0.003","77.087","0.003","77.944","0.003","1221.08","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O8 -","- C27 H25 N3 O8 -","- C54 H50 N6 O16 -","2","1","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.0693","0.0454","","","0.1023","0.1167","","","","","","1.024","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219702","41.1895","0.0011","20.6334","0.0004","27.0979","0.0008","90","","129.772","0.003","90","","17700.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H102 Cl6 Cu3 N18 O48 -","- C120 H102 Cl6 Cu3 N18 O48 -","- C480 H408 Cl24 Cu12 N72 O192 -","4","0.5","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.1775","0.0942","","","0.2682","0.2965","","","","","","0.951","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219703","20.6958","0.0005","27.2441","0.0009","31.2425","0.0007","90","","90","","90","","17615.7","0.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C120 H102 Cu3 N18 O24 -","- C118 H102 Cu3 N17 O24 -","- C472 H408 Cu12 N68 O96 -","4","0.25","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.258","0.0864","","","0.2338","0.272","","","","","","0.851","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219704","20.9882","0.0003","43.6525","0.0006","24.5435","0.0003","90","","111.671","0.001","90","","20897.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]","","","- C283 H348 Cl10 Co28 N48 O49 S41 -","- C276 H292 Cl10 Co28 N48 O42 S41 -","- C552 H584 Cl20 Co56 N96 O84 S82 -","2","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1156","0.0823","","","0.2396","0.26","","","","","","1.074","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7219705","37.682","0.003","45.19","0.003","24.565","0.0017","90","","90","","90","","41830","5","192","2","192","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]","","","- C284.25 H322 Cl34 Co27 N48 O37 S40.75 -","- C274.25 H286 Cl10 Co27 N48 O35 S40.75 -","- C1097 H1144 Cl40 Co108 N192 O140 S163 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1091","0.0946","","","0.2606","0.2744","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219706","37.033","0.007","45.29","0.009","24.166","0.005","90","","90","","90","","40532","14","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co28(C40H44S4O4)6(C2N3H2)16(CO3)Cl11(OH)3(CH3OH)2(H2O)6]","","","- C283 H351 Cl11 Co28 N48 O46 S24 -","- C275 H302 Cl11 Co28 N48 O38 S24 -","- C1100 H1208 Cl44 Co112 N192 O152 S96 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.0998","0.0654","","","0.1749","0.1919","","","","","","1.032","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219707","23.34","0.003","23.34","0.003","55.409","0.011","90","","90","","120","","26140","7","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","[Ni18Na6Cl6(C40H44S4O4)6(C2N3HS)6(H2O)6]","","","- C258 H294 Cl18 N18 Na6 Ni18 O32 S30 -","- C252 H270 Cl6 N18 Na6 Ni18 O30 S30 -","- C756 H810 Cl18 N54 Na18 Ni54 O90 S90 -","3","0.166667","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1279","0.1047","","","0.2798","0.3015","","","","","","1.181","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219713","17.9446","0.0005","11.1704","0.0003","27.228","0.0008","90","","90","","90","","5457.8","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","a14269","Compound 1","","- C51 H47 Mn2 N9 O11 S4 -","- C51 H47 Mn2 N9 O11 S4 -","- C204 H188 Mn8 N36 O44 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0331","0.0272","","","0.0646","0.0682","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219714","11.8071","0.0015","29.765","0.004","13.1818","0.0016","90","","110.456","0.002","90","","4340.5","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","ch14263","Compound 2","","- C150 H162 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0848","0.0576","","","0.149","0.176","","","","","","1.064","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219715","12.1946","0.0007","12.5819","0.0009","14.6838","0.0009","72.43","0.004","69.157","0.004","62.887","0.004","1847.5","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","ch14268","Compound 3","","- C72 H44 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.1123","0.0563","","","0.1435","0.1966","","","","","","1.026","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219716","13.498","0.014","15.22","0.016","20.51","0.02","90.775","0.013","97.172","0.018","111.158","0.013","3891","7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","a15483","Compound 4","","- C114 H162 Mn6 N26 O52 S12 -","- C84 H72 Mn6 N16 O32 S12 -","- C84 H72 Mn6 N16 O32 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.2078","0.088","","","0.1794","0.1978","","","","","","0.912","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219717","22.739","0.005","16.038","0.003","9.7046","0.0019","90","","94","0.03","90","","3530.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","i14732","Compound 5","","- C28 H34 Mn2 N4 O15 S4 -","- C27.98 H29.94 Mn2 N4 O14.98 S4 -","- C111.92 H119.76 Mn8 N16 O59.92 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0503","0.0401","","","0.093","0.099","","","","","","1.03","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219718","9.0044","0.0011","6.6957","0.0008","17.835","0.002","90","","90","","90","","1075.3","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(mbtt)ICl]","[(N-methylbenzothiazole-2-thione)ICl]","","- C8 H7 Cl I N S2 -","- C8 H7 Cl I N S2 -","- C32 H28 Cl4 I4 N4 S8 -","4","0.5","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","0.71073","MoKα","","0.0195","0.0163","","","0.0364","0.0372","","","","","","1.093","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219719","12.4376","0.0002","21.0096","0.0004","4.22389","0.00008","90","","90","","90","","1103.74","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(mbtt)IBr]","[(N-methylbenzothiazole-2-thione)IBr]","","- C8 H7 Br I N S2 -","- C8 H7 Br I N S2 -","- C32 H28 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0326","0.0314","","","0.0713","0.0721","","","","","","1.033","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219720","4.02223","0.00007","9.29376","0.00017","25.296","0.0005","90","","90","","90","","945.61","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)ICl]","[(2(3)H-benzothiazole-thione)ICl]","","- C7 H5 Cl I N S2 -","- C7 H5 Cl I N S2 -","- C28 H20 Cl4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0242","0.0239","","","0.0602","0.0605","","","","","","1.069","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219721","4.0618","0.00009","9.44353","0.00018","25.4237","0.0004","90","","90","","90","","975.2","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)IBr]","[(2(3)H-benzothiazole-thione)IBr]","","- C7 H5 Br I N S2 -","- C7 H5 Br I N S2 -","- C28 H20 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54178","CuKα","","0.0152","0.0149","","","0.0336","0.0337","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219727","10.1894","0.0013","10.3988","0.0013","21.838","0.002","92.912","0.009","103.316","0.01","111.412","0.012","2072.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O11 Zn -","- C48 H36 N4 O11 Zn -","- C96 H72 N8 O22 Zn2 -","2","1","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.147","0.0647","","","0.0746","0.1058","","","","","","0.932","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219728","9.9601","0.0005","32.5682","0.0013","12.23","0.0005","90","","107.435","0.002","90","","3784.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H66 Co3 N6 O24 -","- C86 H66 Co3 N6 O24 -","- C172 H132 Co6 N12 O48 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0633","0.0414","","","0.0831","0.0933","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219729","12.3741","0.0006","11.3562","0.0005","13.6838","0.0008","90","","107.309","0.002","90","","1835.81","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0639","0.0437","","","0.0951","0.1084","","","","","","1.029","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219730","5.4081","0.0002","15.5202","0.0008","13.3407","0.0006","90","","100.649","0.002","90","","1100.46","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-bis(3-methylimidazolium-1-yl)","1,8-bis(3-methylimidazolium-1-yl) octane tetrafluorborate","","- C16 H28 B2 F8 N4 -","- C16 H28 B2 F8 N4 -","- C32 H56 B4 F16 N8 -","2","0.5","","Frizzo, C. P.; Bender, C. R.; Tier, A. Z.; Gindri, I. M.; Salbego, P. R. S.; Meyer, A. R.; Martins, M. A. P.","Energetic and topological insights into the supramolecular structure of dicationic ionic liquids","CrystEngComm","2015","17","15","2996","","10.1039/C5CE00073D","","","0.71073","MoKα","","0.0974","0.0686","","","0.2104","0.2399","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219754","17.3964","0.0014","11.7965","0.001","6.9851","0.0005","90","","90","","90","","1433.5","0.2","298","2","298","2","","","","","","","","5","P b c 21","P 2c -2b","29","Piroxicam: Form Alpha1","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.0812","0.0545","","","0.1097","0.1213","","","","","","1.117","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219755","17.577","0.003","11.745","0.002","6.8516","0.0014","90","","98.07","0.01","90","","1400.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piroxicam: Form Alpha2","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.1357","0.1004","","","0.2381","0.2586","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219769","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219770","10.9995","0.0012","8.8942","0.001","11.9732","0.0014","90","","108.727","0.002","90","","1109.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br2 Cu N8 O2 -","- C18 H20 Br2 Cu N8 O2 -","- C36 H40 Br4 Cu2 N16 O4 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0489","0.0426","","","0.0918","0.0943","","","","","","1.075","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219771","10.4169","0.0009","21.292","0.002","10.4629","0.0009","90","","90.216","0.002","90","","2320.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cu F6 N8 O2 Si -","- C18 H24 Cu F6 N8 O2 Si -","- C72 H96 Cu4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0912","0.0829","","","0.1865","0.1907","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219772","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219773","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219774","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219775","6.512","0.001","6.901","0.001","9.328","0.002","95.448","0.01","108.706","0.008","108.09","0.008","368.51","0.12","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.027","0.026","","","0.0688","0.07","","","","","","1.092","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219776","12.1518","0.0008","18.1413","0.0011","9.5816","0.0006","90","","113.503","0.002","90","","1937","0.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 O18 -","- C10 H22 Cu2 O18 -","- C40 H88 Cu8 O72 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0266","0.0235","","","0.0593","0.0608","","","","","","1.084","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219777","6.7846","0.0004","10.9535","0.0006","10.6835","0.0006","90","","91.81","0.002","90","","793.55","0.08","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C20 H32 Cu2 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0199","0.0191","","","0.0484","0.0488","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219778","7.7391","0.0015","10.6004","0.0019","10.6159","0.0019","112.867","0.01","90.411","0.013","104.192","0.01","772.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cu K2 O12 -","- C10 H8 Cu K2 O12 -","- C20 H16 Cu2 K4 O24 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.036","0.0285","","","0.0789","0.0837","","","","","","1.062","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219779","6.894","0.0005","16.3377","0.0011","12.9381","0.0009","90","","99.666","0.002","90","","1436.56","0.17","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cu Na2 O12 -","- C10 H10 Cu Na2 O12 -","- C40 H40 Cu4 Na8 O48 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0208","0.0205","","","0.0564","0.0565","","","","","","1.157","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219780","11.3114","0.001","11.5464","0.001","11.7074","0.0011","80.13","0.002","66.441","0.002","71.052","0.002","1324.1","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1086","0.0735","","","0.1753","0.1927","","","","","","0.984","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219781","11.5053","0.0011","11.5543","0.0011","12.016","0.0011","78.671","0.002","64.251","0.002","71.747","0.002","1362.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0588","0.052","","","0.1342","0.1368","","","","","","1.055","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219782","8.2343","0.0007","19.5788","0.0016","10.9336","0.0009","90","","100.371","0.002","90","","1733.9","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cu3 N12 O18 -","- C20 H46 Cu3 N12 O18 -","- C40 H92 Cu6 N24 O36 -","2","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0651","0.0451","","","0.0904","0.0981","","","","","","1.094","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219783","8.9464","0.0009","11.1622","0.0011","17.478","0.0017","82.36","0.002","81.293","0.002","82.365","0.002","1698.6","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu2 N4 O14 -","- C30 H34 Cu2 N4 O14 -","- C60 H68 Cu4 N8 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1394","0.0638","","","0.121","0.1489","","","","","","1.081","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219784","8.798","0.0003","10.648","0.0004","19.147","0.0008","94.84","0.003","90.453","0.003","110.355","0.004","1674.38","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Cu2 N4 O11 -","- C33 H34 Cu2 N4 O11 -","- C66 H68 Cu4 N8 O22 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.075","0.0451","","","0.0963","0.1039","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219785","31.07","0.005","31.07","0.005","31.862","0.005","90","0.005","90","0.005","120","0.005","26637","7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Cd Cl2 N12 O8 -","- C36 H30 Cd Cl2 N12 O8 -","- C648 H540 Cd18 Cl36 N216 O144 -","18","0.5","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71069","MoKα","","0.0664","0.0622","","","0.1793","0.183","","","","","","1.049","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219786","18.938","0.008","16.008","0.007","15.549","0.011","90","","123.948","0.006","90","","3910","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cd Cl2 N8 O11 -","- C28 H26 Cd Cl2 N8 O11 -","- C112 H104 Cd4 Cl8 N32 O44 -","4","1","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71073","MoKα","","0.0833","0.0771","","","0.2159","0.231","","","","","","0.933","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219787","4.5622","0.0006","9.994","0.0012","11.5383","0.0012","90","","90.826","0.006","90","","526.03","0.11","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0274","0.0268","","","0.0717","0.0722","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219788","13.5286","0.0009","3.7803","0.0003","21.0471","0.0012","90","","90","","90","","1076.39","0.13","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0377","","","0.098","0.1006","","","","","","1.073","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219789","12.799","0.0019","6.5794","0.0008","25.265","0.004","90","","95.749","0.008","90","","2116.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0384","0.0319","","","0.0847","0.0887","","","","","","1.053","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219790","5.9148","0.0003","7.4926","0.0004","23.9195","0.0013","90","","93.722","0.002","90","","1057.81","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0299","0.0265","","","0.0744","0.078","","","","","","1.055","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219791","25.7588","0.0017","3.7207","0.0003","22.6104","0.0016","90","","90.424","0.004","90","","2166.9","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0813","0.0698","","","0.2005","0.2283","","","","","","1.136","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219792","12.496","0.005","3.71","0.0014","22.745","0.009","90","","93.123","0.005","90","","1052.9","0.7","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.081","0.0545","","","0.1247","0.1396","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219793","25.983","0.002","7.316","0.0006","24.834","0.002","90","","113.707","0.005","90","","4322.4","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C208 H112 F64 N16 -","16","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0794","0.0435","","","0.0961","0.111","","","","","","1.032","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219794","7.2368","0.0005","6.6503","0.0005","22.2218","0.0014","90","","97.167","0.003","90","","1061.11","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0288","0.0272","","","0.0733","0.0748","","","","","","1.057","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219795","5.4757","0.0011","7.7423","0.0015","24.406","0.005","90","","90","","90","","1034.7","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0301","0.0272","","","0.0779","0.0945","","","","","","1.184","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219796","27.6959","0.0014","3.6849","0.0001","21.5993","0.001","90","","90","","90","","2204.35","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0562","0.0418","","","0.0953","0.1039","","","","","","1.037","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219797","6.8244","0.0006","7.6412","0.0007","10.8203","0.001","79.604","0.006","83.948","0.006","69.737","0.006","520.07","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0449","0.0392","","","0.1149","0.1299","","","","","","1.118","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219798","11.0553","0.0015","3.6976","0.0004","13.0135","0.0014","90","","98.716","0.004","90","","525.82","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0906","0.0716","","","0.1691","0.1845","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219799","6.8223","0.0008","7.5505","0.0008","11.2975","0.0014","80.541","0.007","86.409","0.007","66.173","0.007","525.11","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0477","0.0342","","","0.0831","0.0909","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219800","9.756","0.003","4.6737","0.0015","11.257","0.004","90","","99.132","0.017","90","","506.8","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0368","","","0.0889","0.0911","","","","","","1.076","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219801","16.497","0.002","3.7422","0.0004","17.009","0.002","90","","94.425","0.008","90","","1046.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0449","0.0336","","","0.0819","0.0887","","","","","","1.021","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219802","6.7242","0.0006","8.3077","0.0007","10.3309","0.0009","74.956","0.004","73.491","0.004","74.437","0.004","522.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0393","0.0329","","","0.0913","0.0961","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219803","3.8029","0.0004","11.4621","0.0014","12.2186","0.0015","90","","94.778","0.006","90","","530.75","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.025","0.0244","","","0.0669","0.0674","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219804","3.727","0.0007","11.656","0.002","25.035","0.005","90","","90","","90","","1087.6","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0758","0.0514","","","0.1245","0.1375","","","","","","0.999","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219805","3.7169","0.0006","11.5058","0.0019","12.53","0.002","97.022","0.011","93.644","0.011","91.313","0.012","530.51","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,4-difluoro-N-(2,4-difluorobenzylidene)aniline","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0671","0.0458","","","0.1103","0.1223","","","","","","1.043","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219806","3.6872","0.0003","12.9017","0.0008","22.262","0.002","90","","90","","90","","1059.03","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0481","0.0368","","","0.0746","0.0794","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219807","6.8363","0.0004","13.8701","0.0008","11.6974","0.0006","90","","105.915","0.003","90","","1066.64","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0492","0.0373","","","0.0909","0.0975","","","","","","1.064","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219808","7.3598","0.001","12.5972","0.0014","12.669","0.0016","70.079","0.007","75.851","0.008","78.418","0.007","1061.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0763","0.0417","","","0.094","0.1096","","","","","","1.01","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219809","6.6472","0.0004","15.892","0.0009","10.0448","0.0005","90","","92.712","0.003","90","","1059.92","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0387","0.0322","","","0.0796","0.0835","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219810","13.7505","0.0004","3.7574","0.0001","26.3533","0.0007","90","","130.149","0.002","90","","1040.75","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0332","","","0.0872","0.0957","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219811","3.7226","0.0006","13.105","0.002","21.768","0.004","90","","90","","90","","1061.9","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0507","0.0373","","","0.0654","0.0711","","","","","","1.061","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219812","7.004","0.003","30.75","0.013","10.041","0.004","90","","99","0.005","90","","2135.9","1.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0397","0.0318","","","0.0671","0.0704","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219813","10.0995","0.0003","9.0827","0.0003","18.1054","0.0004","90","","141.529","0.001","90","","1033.23","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0333","","","0.0864","0.0918","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219814","6.7897","0.001","6.8031","0.0012","12.0624","0.0018","84.037","0.01","85.232","0.01","72.402","0.01","527.44","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.1013","0.0807","","","0.2227","0.2452","","","","","","1.106","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219815","7.345","0.002","21.755","0.006","13.731","0.004","90","","100.313","0.003","90","","2158.6","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0575","0.037","","","0.0788","0.0878","","","","","","1.041","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219816","7.092","0.002","30.276","0.01","10.124","0.003","90","","99.046","0.004","90","","2146.8","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0672","0.0436","","","0.103","0.1149","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219817","9.0642","0.001","19.594","0.002","12.6956","0.0015","90","","104.058","0.006","90","","2187.3","0.4","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl N3 O10.5 Zn -","- C16 H20 Cl N3 O10.5 Zn -","- C64 H80 Cl4 N12 O42 Zn4 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0715","0.0592","","","0.1404","0.1449","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219818","17.5644","0.0003","34.1856","0.0004","13.3561","0.0002","90","","90","","90","","8019.7","0.2","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H91 Cl4 N12 O29.5 Zn4 -","- C68 H80 Cl4 N12 O29.5 Zn4 -","- C272 H320 Cl16 N48 O118 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0646","0.0626","","","0.1652","0.1672","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219819","15.7557","0.001","15.1427","0.0009","16.838","0.001","90","","90","","90","","4017.3","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0445","0.0309","","","0.0807","0.0877","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219820","10.3751","0.0003","8.315","0.0003","23.5131","0.0011","90","","102.275","0.004","90","","1982.08","0.13","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl Cu N3 O7 -","- C17 H22 Cl Cu N3 O7 -","- C68 H88 Cl4 Cu4 N12 O28 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0685","0.0562","","","0.1456","0.1534","","","","","","1.072","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219821","14.1032","0.0002","17.771","0.0002","15.8877","0.0002","90","","90","","90","","3981.9","0.09","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cl2 Cu2 N6 O16 -","- C34 H44 Cl2 Cu2 N6 O16 -","- C136 H176 Cl8 Cu8 N24 O64 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0576","0.0565","","","0.1558","0.1573","","","","","","1.026","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219822","13.0446","0.0003","8.8181","0.0002","19.3686","0.0005","90","","90","","90","","2227.94","0.09","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 Cl Cu N3 O9 -","- C18 H24 Cl Cu N3 O9 -","- C72 H96 Cl4 Cu4 N12 O36 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0514","0.0468","","","0.1173","0.1217","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219823","16.939","0.0002","16.939","0.0002","33.5981","0.0006","90","","90","","90","","9640.3","0.2","100","1","100","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H28 Cl N3 O7 Zn -","- C20 H28 Cl N3 O7 Zn -","- C320 H448 Cl16 N48 O112 Zn16 -","16","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0933","0.0863","","","0.2584","0.2686","","","","","","1.069","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219824","9.421","0.0017","22.221","0.005","29.851","0.007","110.023","0.013","90.136","0.013","97.835","0.012","5809","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Cl4 N12 O34 Zn4 -","- C92 H128 Cl2 N12 O20 Zn4 -","- C184 H256 Cl4 N24 O40 Zn8 -","2","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.2524","0.1558","","","0.3696","0.4216","","","","","","1.016","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219825","36.788","0.007","8.669","0.0017","33.481","0.007","90","","102.29","0.03","90","","10433","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H142 Cl4 N12 O27 Zn4 -","- C96 H140 Cl4 N12 O27 Zn4 -","- C384 H560 Cl16 N48 O108 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.7108","Synchrotron","","0.0465","0.0452","","","0.1155","0.1164","","","","","","1.04","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219826","20.41","0.004","5.8212","0.001","18.903","0.004","90","","95.216","0.007","90","","2236.6","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0535","0.0344","","","0.0649","0.0853","","","","","","1.1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219827","4.8576","0.0006","9.2069","0.0012","14.7648","0.0019","90","","95.696","0.008","90","","657.07","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0578","0.055","","","0.1834","0.1861","","","","","","1.367","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219828","9.292","0.005","7.698","0.003","12.322","0.005","90","","111.34","0.03","90","","821","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C32 H44 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0568","0.048","","","0.1403","0.147","","","","","","1.059","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219829","16.3482","0.001","16.3482","0.001","19.5011","0.001","90","","90","","120","","4513.7","0.5","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H56 Cl4 Fe3 N11 O4 -","- C52 H56 Cl4 Fe3 N11 O4 -","- C156 H168 Cl12 Fe9 N33 O12 -","3","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.0901","0.0563","","","0.1353","0.1448","","","","","","0.915","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219830","12.47","0.003","15.441","0.003","15.443","0.006","90","","114.56","0.02","90","","2704.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl4 Fe3 N11 O6 -","- C50 H54 Cl4 Fe3 N11 O6 -","- C100 H108 Cl8 Fe6 N22 O12 -","2","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.1337","0.072","","","0.1918","0.2455","","","","","","0.863","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219835","11.705","0.005","13.456","0.005","18.636","0.005","95.216","0.005","90.707","0.005","109.834","0.005","2746.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N16 O12 Zn2 -","- C56 H40 N16 O8 Zn2 -","- C112 H80 N32 O16 Zn4 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.1063","0.0552","","","0.1056","0.1171","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219836","17.697","0.005","24.072","0.005","8.217","0.005","90","0.005","92.118","0.005","90","0.005","3498","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33.25 H33.25 N9.75 O6.25 Zn -","- C28 H20 N8 O4 Zn -","- C112 H80 N32 O16 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0613","0.0431","","","0.0964","0.1025","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219837","21.036","0.005","7.657","0.005","20.088","0.005","90","0.005","106.909","0.005","90","0.005","3096","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N8 O6 Zn -","- C34 H25 N8 O6 Zn -","- C136 H100 N32 O24 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0683","0.0395","","","0.0841","0.102","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219838","21.082","0.005","7.603","0.005","20.045","0.005","90","0.005","106.323","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Co N8 O6 -","- C34 H25 Co N8 O6 -","- C136 H100 Co4 N32 O24 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0873","0.0447","","","0.0874","0.1115","","","","","","0.995","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219839","8.534","0.005","9.108","0.005","19.64","0.005","95.412","0.005","99.68","0.005","107.109","0.005","1421.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N10 O6 -","- C27 H25 Cd N10 O6 -","- C54 H50 Cd2 N20 O12 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.05","0.0398","","","0.1103","0.1253","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219840","9.778","0.005","18.632","0.005","15.6","0.005","90","0.005","92.111","0.005","90","0.005","2840.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N8 O5 -","- C32 H24 Cd N8 O5 -","- C128 H96 Cd4 N32 O20 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0563","0.0339","","","0.0671","0.0737","","","","","","0.987","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219841","21.5392","0.0007","14.2336","0.0004","7.7362","0.0002","90","","93.957","0.001","90","","2366.11","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0557","","","","","","1.084","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219842","28.2519","0.0003","28.2519","0.0003","12.3144","0.0003","90","","90","","90","","9829","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H16 Cd3 N2 O12 -","- C26 H16 Cd3 N2 O12 -","- C416 H256 Cd48 N32 O192 -","16","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","1.54184","CuKα","","0.0519","0.0388","","","0.0878","0.0955","","","","","","1.048","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219843","21.9803","0.0008","17.2195","0.0007","9.2491","0.0003","90","","105.929","0.002","90","","3366.3","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Co2 N4 O13 -","- C36 H27 Co2 N4 O13 -","- C144 H108 Co8 N16 O52 -","4","0.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0559","0.0408","","","0.0965","0.1046","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219844","14.2195","0.0014","11.2318","0.0008","14.6122","0.0014","90","","100.353","0.01","90","","2295.7","0.4","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.85 H2.62 N0.77 O0.92 Zn0.15 -","- C3.84615 H2.92308 N0.769231 O0.923077 Zn0.153846 -","- C100 H76 N20 O24 Zn4 -","26","6.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0549","0.0396","","","0.0977","0.1102","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219845","13.9673","0.0005","11.3875","0.0002","14.9718","0.0004","90","","98.332","0.003","90","","2356.17","0.11","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.57 H2.71 Cd0.14 N0.71 O0.86 -","- C3.57143 H2.71429 Cd0.142857 N0.714286 O0.857143 -","- C100 H76 Cd4 N20 O24 -","28","7","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0534","0.0323","","","0.0734","0.0861","","","","","","1.044","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219846","7.8766","0.0002","19.455","0.0005","13.3737","0.0004","90","","90.361","0.002","90","","2049.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co N3 O6 -","- C22 H16 Co N3 O6 -","- C88 H64 Co4 N12 O24 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0711","0.0499","","","0.1169","0.1286","","","","","","1.069","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219847","7.6214","0.0011","17.281","0.002","12.3199","0.0016","90","","96.176","0.007","90","","1613.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cd N2 O5 -","- C18 H11 Cd N2 O5 -","- C72 H44 Cd4 N8 O20 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1582","0.1748","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219848","9.664","0.0019","11.505","0.002","14.704","0.003","83.42","0.03","74.84","0.03","84.16","0.03","1563.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N4 O11 U -","- C37 H24 N4 O11 U -","- C74 H48 N8 O22 U2 -","2","1","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","0.71073","MoKα","","0.0423","0.0386","","","0.1024","0.1048","","","","","","0.916","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219849","14.1475","0.0007","14.2138","0.0007","14.2205","0.0008","71.475","0.005","63.479","0.005","86.375","0.004","2415.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","1","0.5","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","1.54178","CuKα","","0.0711","0.0572","","","0.1158","0.1211","","","","","","1.103","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219850","46.64","0.07","12.447","0.018","31.37","0.04","90","","131.263","0.012","90","","13689","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Cd3 N16 O24 -","- C52 H47 Cd3 N16 O16 -","- C416 H376 Cd24 N128 O128 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1234","0.0898","","","0.2432","0.2685","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219851","10.8281","0.0003","11.4808","0.0004","15.8705","0.0004","90","","109.351","0.001","90","","1861.49","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cd N4 O4 -","- C19 H20 Cd N4 O4 -","- C76 H80 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0368","0.0263","","","0.0566","0.0597","","","","","","1.042","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219852","10.667","0.006","11.908","0.006","13.161","0.007","90","","109.602","0.006","90","","1574.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N4 O4 -","- C16 H14 Cd N4 O4 -","- C64 H56 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0456","0.0373","","","0.0849","0.0901","","","","","","1.062","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219853","8.63","0.02","10.32","0.02","13.12","0.03","94.84","0.02","107.4","0.02","110.62","0.02","1020","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cd N4 O5 -","- C19 H21 Cd N4 O5 -","- C38 H42 Cd2 N8 O10 -","2","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0945","0.0673","","","0.149","0.165","","","","","","1.036","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219854","16.991","0.008","15.726","0.007","9.212","0.009","90","","120.505","0.007","90","","2121","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.074","0.0473","","","0.1041","0.1167","","","","","","1.067","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219855","4.8452","0.0004","10.3656","0.001","17.3307","0.0017","90","","97.778","0.004","90","","862.4","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71073","MoKα","","0.1137","0.0546","","","0.1075","0.127","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219856","40.33","0.09","4.629","0.013","20.38","0.05","90","","117.5","0.03","90","","3375","15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C136 H144 N32 O32 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1474","0.0772","","","0.1756","0.2322","","","","","","0.991","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219857","17.6812","0.0015","9.5252","0.0008","19.9837","0.0017","90","","98.363","0.002","90","","3329.8","0.5","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","form IIIp","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0836","0.0529","","","0.1182","0.1363","","","","","","1.035","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219858","24.851","0.003","9.4124","0.0013","29.215","0.004","90","","103.211","0.002","90","","6652.8","1.5","100","2","100","2","","","101.3","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","p-iso-propylcalix[4]arene","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C320 H384 O32 -","8","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0693","0.0601","","","0.1531","0.16","","","","","","1.021","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219859","9.4324","0.0011","15.3488","0.0018","23.578","0.003","90","","98.751","0.002","90","","3373.8","0.7","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","Form Ip","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.1424","0.0658","","","0.1386","0.1775","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219865","11.5446","0.0012","14.7733","0.0016","15.4797","0.0016","66.933","0.002","69.503","0.002","89.899","0.002","2247","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0949","0.0602","","","0.1404","0.1598","","","","","","1.087","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219866","12.1224","0.0015","13.4764","0.0015","14.2227","0.0017","105.086","0.002","111.688","0.002","105.602","0.002","1904.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0869","0.0491","","","0.1167","0.1332","","","","","","1.063","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219867","10.5428","0.0006","23.1328","0.0013","12.2375","0.0007","90","","101.333","0.001","90","","2926.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag6 Mo12 N20 O40 Si -","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C48 H32 Ag12 Mo24 N40 O80 Si2 -","2","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0457","0.0439","","","0.0919","0.093","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219868","26.3119","0.0019","10.3171","0.0007","23.8781","0.0017","90","","106.323","0.001","90","","6220.7","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ag5 Mo12 N20 O45 P -","- C24 H16 Ag5 Mo12 N20 O40 P -","- C96 H64 Ag20 Mo48 N80 O160 P4 -","4","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0992","0.0847","","","0.2413","0.254","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219869","6.6762","0.0009","7.9864","0.0011","13.745","0.0019","78.535","0.002","84.941","0.002","76.907","0.002","698.86","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0787","0.0563","","","0.1378","0.1508","","","","","","1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219870","6.5863","0.0009","7.6421","0.0011","13.809","0.002","96.335","0.002","94.647","0.002","97.679","0.002","681.37","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0585","0.0439","","","0.0852","0.0911","","","","","","1.082","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219871","6.5961","0.0005","7.7866","0.0006","13.4353","0.0011","83.405","0.001","80.961","0.001","81.545","0.001","671.1","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0341","0.0287","","","0.0701","0.0727","","","","","","1.075","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219872","6.6953","0.0004","7.6428","0.0005","14.0935","0.0008","96.583","0.001","95.129","0.001","96.171","0.001","708.48","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0197","0.019","","","0.0468","0.0472","","","","","","1.004","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219873","6.6818","0.0009","7.6135","0.001","14.034","0.002","96.685","0.002","95.671","0.002","95.868","0.002","700.92","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0353","0.0318","","","0.0621","0.0642","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219874","18.685","0.008","11.722","0.005","9.244","0.004","90","","91.771","0.006","90","","2023.7","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ba2 Cl Cu N4 O11 -","- C12 H10 Ba2 Cl Cu N4 O11 -","- C48 H40 Ba8 Cl4 Cu4 N16 O44 -","4","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0701","0.0684","","","0.2401","0.2451","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219875","7.7073","0.0007","8.5422","0.0008","10.0834","0.0009","94.55","0.001","105.335","0.001","95.427","0.001","633.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0401","0.0356","","","0.0863","0.0895","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219876","14.3621","0.0013","6.98","0.0006","15.7788","0.0015","90","","114.121","0.001","90","","1443.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cu N6 O24 Sr2 -","- C12 H24 Cu N6 O24 Sr2 -","- C24 H48 Cu2 N12 O48 Sr4 -","2","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0408","0.0299","","","0.0761","0.0819","","","","","","1.011","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219877","6.6503","0.0009","7.9533","0.0011","13.656","0.002","78.411","0.002","84.66","0.002","77.08","0.002","688.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0429","0.0373","","","0.0971","0.1015","","","","","","1.003","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219878","6.6133","0.0015","7.6512","0.0017","13.778","0.003","96.312","0.004","95.186","0.003","97.792","0.004","682.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0473","0.0365","","","0.082","0.0882","","","","","","1.008","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219879","18.895","0.005","5.769","0.003","26.82","0.006","90","","90.989","0.005","90","","2923.1","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ferrocenyl-2-(phenyl)thioethanone","","- C18 H16 Fe O S -","- C18 H16 Fe O S -","- C144 H128 Fe8 O8 S8 -","8","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0509","0.0337","","","0.0718","0.0779","","","","","","1.032","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219880","10.57","0.005","7.329","0.004","45.553","0.008","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Ferrocenyl-2-[(naphthalen-2-yl)thio]ethanone","","- C22 H18 Fe O S -","- C22 H18 Fe O S -","- C176 H144 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.135","0.0674","","","0.126","0.1538","","","","","","0.975","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219881","5.706","0.003","11.339","0.005","13.634","0.005","112.724","0.005","94.083","0.008","94.391","0.01","806.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-2-[4-(methoxyphenyl)thio]ethanone","","- C19 H18 Fe O2 S -","- C19 H18 Fe O2 S -","- C38 H36 Fe2 O4 S2 -","2","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.0336","0.0281","","","0.0679","0.0708","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219882","24.794","0.005","5.846","0.003","21.572","0.004","90","","90","","90","","3126.8","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Ferrocenyl-2-[4-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C144 H120 Cl8 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0891","0.0443","","","0.0561","0.0637","","","","","","0.756","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219883","7.6287","0.0018","23.333","0.006","9.21","0.002","90","","108.146","0.009","90","","1557.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-2-[3-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1293","0.0505","","","0.0984","0.1241","","","","","","0.994","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219884","7.119","0.003","23.62","0.0008","9.661","0.002","90","","108.071","0.007","90","","1544.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-[2-(chlorophenyl)thio]ethanone (VII)","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0841","0.0513","","","0.109","0.1203","","","","","","1.047","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219885","6.0532","0.0019","34.587","0.008","7.827","0.002","90","","101.767","0.009","90","","1604.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Fe N O3 S -","- C18 H15 Fe N O3 S -","- C72 H60 Fe4 N4 O12 S4 -","4","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1063","0.0514","","","0.076","0.09","","","","","","0.956","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219894","8.0072","0.0005","11.8432","0.0009","13.3307","0.0009","96.449","0.006","106.074","0.006","97.869","0.006","1188.22","0.15","120","","120","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C22 H30 N4 O7 S -","- C22 H30 N4 O7 S -","- C44 H60 N8 O14 S2 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.156","0.0732","","","0.1353","0.1589","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219895","33.554","0.007","13.996","0.003","18.645","0.004","90","","100.54","0.03","90","","8608","3","293","2","293","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C336 H416 N64 O96 S16 -","16","2","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1291","0.0481","","","0.0749","0.0872","","","","","","0.841","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219896","7.937","0.0005","12.8236","0.001","13.4836","0.001","79.804","0.006","76.806","0.006","78.841","0.006","1298.15","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1452","0.1041","","","0.3058","0.3386","","","","","","1.161","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219897","15.9465","0.0006","18.9851","0.0004","17.161","0.0007","90","","111.552","0.004","90","","4832.2","0.3","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 Cl2 N6 O21 -","- C43 H64 Cl2 N6 O21 -","- C172 H256 Cl8 N24 O84 -","4","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.7107","MoKα","","0.0816","0.0665","","","0.1859","0.1971","","","","","","1.031","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219898","7.937","0.0005","12.824","0.001","13.485","0.001","79.8","0.006","76.802","0.006","78.839","0.006","1298.28","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20.5 H28 Br N3 O6.5 -","- C20.5 H28 Br1.0005 N3 O6.5 -","- C41 H56 Br2.001 N6 O13 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1581","0.1052","","","0.3065","0.3421","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219899","13.7359","0.0008","13.0043","0.0008","7.8727","0.0004","90","","94.636","0.006","90","","1401.67","0.14","330","1","330","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 Bi I4 N2 -","- C4 H7 Bi I4 N2 -","- C16 H28 Bi4 I16 N8 -","4","0.5","","Gągor, A.; Węcławik, M.; Bondzior, B.; Jakubas, R.","Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate(iii) thermochromic organic‒inorganic hybrid","CrystEngComm","2015","17","17","3286","","10.1039/C5CE00046G","","","0.71073","MoKα","","0.036","0.0261","","","0.0533","0.0551","","","","","","0.937","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219900","7.8955","0.0008","7.9685","0.001","12.611","0.002","84.587","0.014","88.678","0.014","76.076","0.01","766.68","0.18","200","1","200","1","","","","","","","","5","P 1","P 1","1","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","4","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.0574","0.0361","","","0.1054","0.1131","","","","","","1.013","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219901","8.0326","0.0008","8.0754","0.001","12.745","0.002","84.19","0.014","88.36","0.014","76.009","0.01","798.07","0.18","413","2","413","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.092","0.0494","","","0.14","0.1507","","","","","","0.895","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219902","13.047","0.008","9.7","0.003","8.348","0.005","90","","129.31","0.09","90","","817.4","1.3","426","1","426","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","1","0.125","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.1015","0.0725","","","0.1977","0.2163","","","","","","0.961","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219931","37.419","0.005","37.419","0.005","10.7471","0.0011","90","","90","","120","","13032","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1501","0.0562","","","0.1287","0.2029","","","","","","0.967","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219932","36.528","0.002","36.528","0.002","10.5054","0.001","90","","90","","120","","12139.3","1.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1444","0.0606","","","0.1388","0.189","","","","","","0.893","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219933","37.361","0.005","37.361","0.005","10.403","0.002","90","","90","","120","","12576","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.2125","0.072","","","0.1568","0.2394","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219934","12.9068","0.0005","23.7447","0.0009","38.817","0.0017","90","","96.451","0.001","90","","11820.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H100 Cu N12 O83 P2 Ti2 W22 -","- C48 H92 Cu N12 O80 P2 Ti2 W22 -","- C192 H368 Cu4 N48 O320 P8 Ti8 W88 -","4","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.0918","0.0526","","","0.1068","0.1213","","","","","","1.006","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219935","14.6474","0.0009","19.8814","0.0012","21.9641","0.0014","78.874","0.001","88.113","0.001","75.659","0.001","6079.7","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H79 Cu N12 O80.5 P2 Ti2 W22 -","- C58 H76 Cu N12 O80.5 P2 Ti2 W22 -","- C116 H152 Cu2 N24 O161 P4 Ti4 W44 -","2","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1104","0.0645","","","0.1445","0.1882","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219936","15.9375","0.0009","16.0198","0.0009","23.1712","0.0014","90","","91.951","0.001","90","","5912.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 Cu4 N24 O40 P W12 -","- C96 H80 Cu4 N24 O40 P W12 -","- C192 H160 Cu8 N48 O80 P2 W24 -","2","0.5","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1209","0.0481","","","0.0665","0.0831","","","","","","0.994","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219937","17.303","0.004","9.925","0.002","22.41","0.005","90","","90","","90","","3848.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 In N3 O9 -","- C16 H6 In O9 -","- C64 H24 In4 O36 -","4","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0848","0.07","","","0.2562","0.2692","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219938","10.289","0.002","15.763","0.003","24.796","0.005","90","","112.65","0.03","90","","3711.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 O16 Zn2 -","- C28 H36 N4 O14 Zn2 -","- C112 H144 N16 O56 Zn8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0915","0.067","","","0.1959","0.2101","","","","","","1.091","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219939","19.005","0.004","13.683","0.003","14.521","0.003","90","","119.11","0.03","90","","3299.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O10 Zn2 -","- C16 H6 O10 Zn2 -","- C128 H48 O80 Zn16 -","8","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0357","0.0301","","","0.0784","0.0809","","","","","","1.068","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219940","19.851","0.003","19.851","0.003","9.876","0.002","90","","90","","120","","3370.4","1","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C30 H34 Co2 N2 O15 S2 -","- C30 H16 Co2 N2 O12 S2 -","- C90 H48 Co6 N6 O36 S6 -","3","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1136","0.0951","","","0.254","0.2646","","","","","","1.073","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219941","10.117","0.0011","16.767","0.002","22.415","0.002","90","","90","","90","","3802.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Co2 N4 O14 -","- C24 H24 Co2 N2 O12 -","- C96 H96 Co8 N8 O48 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1759","0.0779","","","0.1567","0.17","","","","","","1.015","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219942","21.818","0.004","14.704","0.003","26.282","0.005","90","","126.84","0.03","90","","6748","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Co4 O29 S7 -","- C36 H24 Co4 O24 S2 -","- C144 H96 Co16 O96 S8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1223","0.1127","","","0.2865","0.2943","","","","","","1.041","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219959","21.494","0.004","8.3309","0.0014","18.367","0.003","90","","121.704","0.003","90","","2798.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cu4 I4 N8 -","- C19 H20 Cu4 I4 N8 -","- C76 H80 Cu16 I16 N32 -","4","0.5","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.048","0.0369","","","0.1006","0.1201","","","","","","1.162","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219960","18.283","0.005","8.628","0.002","21.554","0.005","90","","97.845","0.005","90","","3368.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu4 I4 N10 -","- C24 H28 Cu4 I4 N10 -","- C96 H112 Cu16 I16 N40 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0698","0.0526","","","0.1355","0.1462","","","","","","1.05","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219961","15.9272","0.0008","9.005","0.0004","22.3483","0.0011","90","","102.105","0.001","90","","3134","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Cu2 I2 N4 -","- C11 H12 Cu2 I2 N4 -","- C88 H96 Cu16 I16 N32 -","8","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0322","0.0276","","","0.0541","0.0555","","","","","","1.175","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219962","7.1708","0.0004","8.4435","0.0004","12.2732","0.0006","91.226","0.0011","101.4","0.0012","111.39","0.001","674.7","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl2 N4 Zn -","- C11 H14 Cl2 N4 Zn -","- C22 H28 Cl4 N8 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0186","0.0181","","","0.0442","0.0444","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219963","9.0863","0.0003","9.2004","0.0004","14.2638","0.0006","102.256","0.001","94.334","0.001","100.742","0.001","1136.56","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N8 Zn -","- C20 H22 Cl2 N8 Zn -","- C40 H44 Cl4 N16 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0329","0.0261","","","0.0659","0.069","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219964","15.987","0.0015","18.722","0.0018","19.304","0.0019","116.971","0.002","91.384","0.002","90.88","0.002","5145.7","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 Nd3 O61 S4 -","- C78 H92 N14 Nd3 O61 S4 -","- C156 H184 N28 Nd6 O122 S8 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0737","0.0471","","","0.1034","0.1143","","","","","","1.033","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219965","15.9282","0.0012","18.6918","0.0015","19.2219","0.0015","116.848","0.002","91.344","0.002","90.928","0.002","5102.3","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 O61 S4 Sm3 -","- C78 H93 N14 O61 S4 Sm3 -","- C156 H186 N28 O122 S8 Sm6 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0416","0.0373","","","0.1069","0.1099","","","","","","1.06","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219972","24.4797","0.0003","24.5938","0.0003","25.2374","0.0003","118.436","0.001","111.969","0.001","94.229","0.001","11784.9","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C297.58 H466 Cu24 N35.6 O172.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","1","0.5","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives","CrystEngComm","2015","17","17","3297","","10.1039/C5CE00251F","","","1.54184","CuKα","","0.0975","0.0859","","","0.2564","0.2744","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219982","23.457","0.0013","11.7906","0.0006","8.1237","0.0005","90","","102.585","0.004","90","","2192.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.1049","0.0555","","","0.1305","0.1547","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219983","12.7028","0.0017","8.3775","0.0008","11.5509","0.0012","90","","117.017","0.005","90","","1095.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0685","0.0503","","","0.1263","0.1379","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219984","6.7821","0.0004","22.9709","0.0013","6.9552","0.0004","90","","91.464","0.004","90","","1083.2","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0541","0.0431","","","0.1044","0.1113","","","","","","1.053","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219985","3.7233","0.0003","7.4294","0.0005","12.3158","0.001","98.262","0.004","90.019","0.004","91.709","0.005","336.99","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form I","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","1","0.5","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.0373","0.0344","","","0.0953","0.0981","","","","","","1.112","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219986","6.9765","0.0007","8.1978","0.0008","13.1421","0.001","106.725","0.005","92.458","0.005","105.171","0.006","689.04","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form II","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C28 H16 D12 N8 O12 -","2","1","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.086","0.0462","","","0.1178","0.1423","","","","","","1.005","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219987","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219988","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219989","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219990","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219991","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219992","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219993","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219994","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219998","24.313","0.012","8.866","0.004","23.638","0.012","90","","103.544","0.006","90","","4954","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 Nd2 O21 -","- C40 H36 Ag N3 Nd2 O21 -","- C160 H144 Ag4 N12 Nd8 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.1136","0.0967","","","0.2915","0.1794","","","","","","1.098","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219999","23.964","0.002","8.7801","0.0007","23.82","0.002","90","","103.087","0.001","90","","4881.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Eu2 N3 O21 -","- C40 H36 Ag Eu2 N3 O21 -","- C160 H144 Ag4 Eu8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0636","0.0549","","","0.1649","0.1728","","","","","","1.063","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7220000","23.4208","0.0018","8.7474","0.0007","24.1695","0.0019","90","","102.525","0.001","90","","4833.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Dy2 N3 O21 -","- C40 H36 Ag Dy2 N3 O21 -","- C160 H144 Ag4 Dy8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0648","0.0544","","","0.1713","0.1799","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220001","23.738","0.005","8.74","0.002","23.966","0.005","90","","102.618","0.003","90","","4852.1","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 O21 Tb2 -","- C40 H36 Ag N3 O21 Tb2 -","- C160 H144 Ag4 N12 O84 Tb8 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0698","0.0531","","","0.1625","0.1782","","","","","","1.009","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220002","8.8816","0.0009","10.0846","0.001","13.9316","0.0014","97.739","0.001","107.737","0.001","90.502","0.001","1176","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0482","0.044","","","0.116","0.1189","","","","","","1.064","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220003","8.8785","0.0009","10.0812","0.001","13.9267","0.0014","97.738","0.001","107.737","0.001","90.501","0.001","1174.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0509","0.0468","","","0.1284","0.1316","","","","","","1.041","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220004","13.669","0.003","15.925","0.003","14.633","0.003","90","","90","","90","","3185.3","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 Co2 N O10 -","- C14 H11 Co2 N O10 -","- C112 H88 Co16 N8 O80 -","8","1","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0542","0.05","","","0.1401","0.1447","","","","","","1.066","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220005","19.576","0.006","18.535","0.006","7.8377","0.0016","90","","94.15","0.03","90","","2836.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 K0 N0 O25 Zn4 -","- C20 H4 O25 Zn4 -","- C80 H16 O100 Zn16 -","4","0.5","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0899","0.0654","","","0.2214","0.2389","","","","","","1.219","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220006","12.8418","0.0003","7.5487","0.0002","26.461","0.0006","90","","90","","90","","2565.1","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.046","0.0398","","","0.1083","0.1172","","","","","","1.046","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220007","4.7895","0.0003","11.3446","0.001","12.061","0.0009","93.472","0.007","100.357","0.006","94.022","0.006","641.28","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.048","0.0414","","","0.1195","0.127","","","","","","1.064","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220008","12.4915","0.0015","7.5972","0.0014","26.1737","0.0018","90","","90","","90","","2483.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P3-PolymorphI-Pbca","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","0.71073","MoKα","","0.0517","0.0419","","","0.099","0.1043","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7220009","11.011","0.003","11.867","0.004","18.154","0.006","71.519","0.005","79.676","0.005","87.614","0.005","2213.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 S10 Zn -","- C34 H24 N4 S10 Zn -","- C68 H48 N8 S20 Zn2 -","2","1","","Madhu, Vedichi; Sabbani, Supriya; Kishore, Ravada; Naik, Indravath K.; Das, Samar K.","Mechanical motion in the solid state and molecular recognition: reversible cis‒trans transformation of an organic receptor in a solid‒liquid crystalline state reaction triggered by anion exchange","CrystEngComm","2015","17","17","3219","","10.1039/C5CE00449G","","","0.71073","MoKα","","0.0847","0.0691","","","0.1876","0.1992","","","","","","1.112","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220010","16.7488","0.0009","12.8214","0.0009","30.458","0.002","90","","116.084","0.004","90","","5874.5","0.7","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C112 H98 Mn5 O44 -","- C108 H74 Mn5 O38 -","- C216 H148 Mn10 O76 -","2","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.1612","0.083","","","0.1674","0.1875","","","","","","1.085","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220011","11.461","0.0012","12.126","0.0014","13.13","0.002","99.683","0.004","106.979","0.003","99.307","0.005","1676.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1041","0.0628","","","0.144","0.1663","","","","","","1.015","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220012","11.429","0.0007","12.378","0.0008","12.766","0.0009","100.579","0.005","107.948","0.006","100.603","0.005","1632.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1298","0.0758","","","0.1406","0.1636","","","","","","1.145","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220013","11.4063","0.0009","12.4905","0.0007","12.9267","0.0009","101.825","0.005","108.484","0.006","99.617","0.005","1655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.0853","0.0535","","","0.1121","0.13","","","","","","1.054","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220014","11.427","0.0009","12.165","0.001","13.217","0.001","100.658","0.007","107.125","0.007","98.125","0.006","1687.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0831","0.0577","","","0.1371","0.1596","","","","","","1.03","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220015","14.37","0.0012","28.431","0.002","17.883","0.002","90","","100.673","0.005","90","","7179.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H58 Co2 N4 Na O19.5 -","- C79 H53 Co2 N4 Na O19.5 -","- C316 H212 Co8 N16 Na4 O78 -","4","1","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1142","0.0613","","","0.1348","0.1598","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220016","10.672","0.0007","12.394","0.0007","12.501","0.0007","75.378","0.005","73.453","0.005","87.968","0.005","1532.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1035","0.0607","","","0.1392","0.1673","","","","","","1.018","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220017","32.986","0.0017","17.323","0.0015","28.382","0.0017","90","","148.758","0.014","90","","8411","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H71 Cu2 N8 O18.5 -","- C94 H70 Cu2 N8 O18.5 -","- C376 H280 Cu8 N32 O74 -","4","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.3418","0.1593","","","0.2424","0.2919","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220018","8.92","0.0005","15.524","0.0008","15.861","0.0008","90.076","0.004","95.216","0.004","90.973","0.004","2186.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0926","0.0591","","","0.1386","0.162","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220019","3.8788","0.0005","26.948","0.003","13.6006","0.0013","90","","93.164","0.009","90","","1419.4","0.3","270","0.1","270","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1023","0.0756","","","0.207","0.2322","","","","","","1.091","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220020","3.7998","0.0004","26.683","0.003","13.4964","0.0013","90","","92.665","0.009","90","","1366.9","0.2","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0532","0.0428","","","0.1125","0.1208","","","","","","1.131","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220021","3.8459","0.0005","26.658","0.003","14.03","0.04","90","","93.63","0.05","90","","1436","4","295","2","295","2","","","160000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0823","0.0601","","","0.1683","0.1895","","","","","","1.134","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220022","3.7825","0.0007","26.378","0.003","13.71","0.04","90","","93.76","0.06","90","","1365","4","295","2","295","2","","","640000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1279","0.1112","","","0.284","0.3072","","","","","","1.446","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220023","28.9324","0.0008","7.7007","0.0002","16.0837","0.0004","90","","107.629","0.002","90","","3415.16","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 O12 Zn2 -","- C28 H20 N6 O12 Zn2 -","- C112 H80 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.072","0.0596","","","0.211","0.2252","","","","","","1.122","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220024","28.825","0.012","7.737","0.002","16.014","0.006","90","","108.23","0.03","90","","3392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N6 O12 Zn2 -","- C30 H18 N6 O12 Zn2 -","- C120 H72 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.0726","0.0483","","","0.137","0.1544","","","","","","1.029","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220033","10.134","0.005","11.529","0.005","11.698","0.005","107.863","0.005","95.831","0.005","92.552","0.005","1290","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O10 Zn2 -","- C25 H27 N O10 Zn2 -","- C50 H54 N2 O20 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0675","0.0433","","","0.0944","0.1046","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220034","10.1815","0.0011","11.5501","0.0012","11.6759","0.0012","108.454","0.001","96.56","0.002","92.829","0.002","1288.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Co2 N O10 -","- C25 H27 Co2 N O10 -","- C50 H54 Co4 N2 O20 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0497","0.0406","","","0.1043","0.1105","","","","","","1.036","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220035","10.706","0.0005","11.234","0.0005","11.467","0.0006","93.608","0.001","111.597","0.001","107.995","0.001","1195.02","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O9 Zn2 -","- C23 H23 N O9 Zn2 -","- C46 H46 N2 O18 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0377","0.0293","","","0.0725","0.0766","","","","","","1.056","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220036","16.635","0.005","9.405","0.005","25.855","0.005","90","","96.657","0.005","90","","4018","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Co2 N O12 -","- C39 H47 Co2 N O12 -","- C156 H188 Co8 N4 O48 -","4","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0884","0.0481","","","0.117","0.1485","","","","","","1.037","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220037","12.913","0.001","13.7018","0.001","14.1084","0.0011","114.394","0.001","107.217","0.001","98.206","0.001","2068.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cd N9 O14 -","- C41 H31 Cd N9 O14 -","- C82 H62 Cd2 N18 O28 -","2","1","","Roy, Subhadip; Bauza, Antonio; Frontera, Antonio; Banik, Rupak; Purkayastha, Atanu; Drew, Michael G. B.; Reddy, Benjaram M.; Sridhar, Balasubramanian; Das, Saroj Kr.; Das, Subrata","Experimental observation and theoretical investigation of a novel Cd(ii) complex with π-hole interactions involving nitro groups","CrystEngComm","2015","17","21","3912","","10.1039/C5CE00453E","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0858","","","","","","0.981","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220053","32.105","0.005","15.068","0.005","9.331","0.005","90","","90.772","0.005","90","","4514","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate)","","- C48 H96 N28 Ni3 O10 W2 -","- C47.9996 H48 N28 Ni3 O10 W2 -","- C95.9992 H96 N56 Ni6 O20 W4 -","2","0.25","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara","Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies","CrystEngComm","2015","17","18","3526","","10.1039/C5CE00287G","","","0.71069","MoKα","","0.0354","0.0307","","","0.0866","0.0892","","","","","","1.102","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220059","6.7137","0.0007","13.1237","0.0014","11.9402","0.0012","90","","120.524","0.006","90","","906.24","0.17","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.06862","","1.09","","","","","","","has coordinates","291143","2024-04-09","08:49:27",""
"7220060","6.6535","0.0005","12.9636","0.001","11.851","0.0009","90","","120.203","0.004","90","","883.42","0.12","2.5","","2.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.03762","","1.14","","","","","","","has coordinates","291143","2024-04-09","08:49:46",""
"7220091","11.0678","0.0016","23.228","0.004","27.246","0.004","90","","90","","90","","7004.5","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C292 H284 Au8 Cl12 N16 O16 P8 -","4","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.0945","0.078","","","0.1998","0.2106","","","","","","1.035","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220092","30.3688","0.0018","26.6704","0.0015","21.7986","0.0012","90","","109.056","0.0016","90","","16688.2","1.7","277","","277","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C544 H576 Au16 Cl16 N32 O40 P16 -","8","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.1348","0.0542","","","0.1418","0.1788","","","","","","0.832","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220093","10.6798","0.0006","14.292","0.0007","22.3083","0.0013","97.4663","0.0016","90.7906","0.0016","91.1556","0.0014","3375","0.3","277","","277","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C138 H152 Au4 Cl4 N8 O12 P4 -","2","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.2","0.0827","","","0.1781","0.2321","","","","","","0.964","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220253","11.455","0.002","8.5195","0.0017","16.698","0.003","90","","103.81","0.03","90","","1582.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Co(tdzdc)(4,4?-bipy)(H2O)]n","","- C14 H10 Co N4 O5 S -","- C14 H10 Co N4 O5 S -","- C56 H40 Co4 N16 O20 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0418","0.0374","","","0.082","0.084","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220254","34.618","0.007","10.056","0.002","7.5334","0.0015","90","","100.66","0.03","90","","2577.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[Zn2(tdzdc)2(4,4?-bipy)(H2O)2]?3H2O}n","","- C18 H18 N6 O13 S2 Zn2 -","- C18 H8 N6 O13 S2 Zn2 -","- C72 H32 N24 O52 S8 Zn8 -","4","0.5","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.1021","0.0946","","","0.2215","0.225","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220255","14.944","0.003","16.94","0.003","10.384","0.002","90","","123.74","0.03","90","","2186","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{[Co(tdzdc)(bpp)(H2O)]?3H2O}n","","- C17 H20 Co N4 O8 S -","- C17 H14 Co N4 O8 S -","- C68 H56 Co4 N16 O32 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0392","0.0348","","","0.0785","0.0807","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220256","14.55","0.003","10.115","0.002","7.4802","0.0015","90","","95.76","0.03","90","","1095.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn2(tdzdc)2(obpy)(H2O)2]n","","- C9 H6 N3 O6 S Zn -","- C9 H6 N3 O6 S Zn -","- C36 H24 N12 O24 S4 Zn4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0851","0.0722","","","0.1747","0.182","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220257","10.772","0.002","18.039","0.004","18.646","0.004","90","","90","","90","","3623.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(tdzdc)(tmb)]n","","- C16 H12 N8 O4 S Zn -","- C16 H12 N8 O4 S Zn -","- C128 H96 N64 O32 S8 Zn8 -","8","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.083","0.0581","","","0.1003","0.1088","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220258","7.6957","0.0003","10.2182","0.0005","15.9408","0.0009","86.945","0.004","86.035","0.004","76.831","0.004","1216.73","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O21 Tb2 -","- C16 H20 N2 O21 Tb2 -","- C32 H40 N4 O42 Tb4 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0617","0.0664","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220259","7.7297","0.0004","10.2725","0.0005","16.0234","0.0009","86.817","0.004","85.974","0.005","77.107","0.004","1236.13","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Eu2 N2 O21 -","- C16 H20 Eu2 N2 O21 -","- C32 H40 Eu4 N4 O42 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0684","0.0454","","","0.0655","0.0734","","","","","","1.008","","","","has coordinates","138510","2020-10-21","18:00:00",""
"7220260","6.39","0.0003","9.8657","0.0006","12.5336","0.0009","92.036","0.003","97.215","0.004","94.435","0.004","780.72","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 O7 U -","- C14 H20 O7 U -","- C28 H40 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0333","0.0268","","","0.0567","0.0582","","","","","","1.013","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220261","11.9941","0.0006","12.8275","0.0007","13.8161","0.0007","90","","106.114","0.003","90","","2042.15","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O7 U -","- C19 H27 N O7 U -","- C76 H108 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0504","0.0281","","","0.0528","0.0568","","","","","","0.95","","","","has coordinates,has disorder","138539","2020-10-21","18:00:00",""
"7220262","22.0938","0.0011","9.487","0.0003","17.2485","0.0009","90","","117.251","0.002","90","","3214.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19.5 N0.5 O6 U -","- C15 H19.5 N0.5 O6 U -","- C120 H156 N4 O48 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0303","0.024","","","0.055","0.0565","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220263","8.4491","0.0006","25.5329","0.0014","9.3969","0.0008","90","","94.063","0.005","90","","2022.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O7 U -","- C17 H25 N O7 U -","- C68 H100 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0944","0.0773","","","0.1842","0.1927","","","","","","1.189","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220264","16.5765","0.0004","13.5501","0.0004","24.0775","0.0008","90","","95.8","0.002","90","","5380.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 N2 O19 U2 -","- C46 H76 N2 O19 U2 -","- C184 H304 N8 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0682","0.0384","","","0.0828","0.09","","","","","","0.984","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220265","10.9563","0.0008","12.8519","0.001","14.8421","0.0012","70.974","0.002","83.543","0.002","86.737","0.002","1962.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Eu2 N4 O13 -","- C42 H26 Eu2 N4 O13 -","- C84 H52 Eu4 N8 O26 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.087","0.0554","","","0.1074","0.1297","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220266","10.8919","0.0015","12.852","0.0017","14.933","0.002","70.463","0.003","82.65","0.002","85.85","0.003","1952.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Tb2 -","- C42 H26 N4 O13 Tb2 -","- C84 H52 N8 O26 Tb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.1191","0.057","","","0.077","0.0953","","","","","","0.822","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220267","10.7901","0.0009","12.8494","0.001","15.0261","0.0012","69.573","0.001","81.107","0.002","84.518","0.002","1926.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Yb2 -","- C42 H26 N4 O13 Yb2 -","- C84 H52 N8 O26 Yb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.0742","0.0478","","","0.0935","0.1074","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220268","10.239","0.0008","6.0429","0.0004","16.454","0.002","90","","95.999","0.008","90","","1012.49","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0566","0.0464","","","0.1213","0.1314","","","","","","0.984","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220269","20.0099","0.0012","24.6219","0.0009","18.3201","0.0011","90","","116.274","0.008","90","","8093.5","0.9","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C448 H256 O128 -","32","8","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0672","0.0441","","","0.1086","0.1253","","","","","","1.034","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220270","11.0209","0.0001","16.093","0.0002","26.6261","0.0004","90","","90.074","0.001","90","","4722.38","0.1","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C208 H272 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.0594","0.0499","","","0.1361","0.1455","","","","","","1.023","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220271","11.3557","0.0013","13.324","0.002","16.537","0.003","108.171","0.008","94.406","0.008","92.266","0.007","2365","0.6","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C104 H136 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0898","0.0556","","","0.1303","0.1503","","","","","","1.027","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220272","8.9268","0.0003","14.4126","0.0007","20.6525","0.0011","85.264","0.002","85.152","0.002","73.771","0.003","2537.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","","- C54 H71 N O14 -","- C54 H71 N O14 -","- C108 H142 N2 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0809","0.0526","","","0.1215","0.1393","","","","","","1.018","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220273","17.9718","0.0004","19.3215","0.0003","15.5981","0.0002","90","","102.183","0.0017","90","","5294.33","0.16","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","","- C54 H74 Cl2 O15 -","- C54 H74 Cl2 O15 -","- C216 H296 Cl8 O60 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.1117","0.0932","","","0.2789","0.2996","","","","","","1.075","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220274","17.5687","0.0004","23.0884","0.0005","15.7904","0.0003","90","","108.034","0.002","90","","6090.4","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","","- C55 H71 Cl9 O14 -","- C55 H71 Cl9 O14 -","- C220 H284 Cl36 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.1329","0.086","","","0.2238","0.2632","","","","","","1.022","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220275","13.2706","0.0003","15.2318","0.0003","16.1051","0.0004","80.0591","0.0019","89.3602","0.0019","88.922","0.0018","3205.86","0.13","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C107 H142 Cs4 F24 O29 P4 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.047","0.0408","","","0.1086","0.1138","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220276","19.9517","0.0004","16.9799","0.0004","17.9735","0.0004","90","","105.634","0.002","90","","5863.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","","- C53.5 H72.5 Ag2 F12 O15.25 P2 -","- C52 H68 Ag2 F12 O14 P2 -","- C208 H272 Ag8 F48 O56 P8 -","4","0.5","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.0635","0.056","","","0.1684","0.177","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220277","21.0806","0.0005","37.7868","0.0008","14.1827","0.0003","90","","90","","90","","11297.5","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","","- C54 H76 Ag F3 O20 S -","- C54.5 H74 Ag F3 O20 S -","- C436 H592 Ag8 F24 O160 S8 -","8","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.1002","0.0869","","","0.2543","0.2731","","","","","","1.041","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220278","15.805","0.0007","16.2661","0.0007","18.4549","0.0006","94.688","0.003","95.58","0.003","117.328","0.004","4151.9","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","","- C44.5 H56 Cl1.5 D0.5 O12 -","- C44.5 H56.5 Cl1.5 O12 -","- C178 H226 Cl6 O48 -","4","2","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.097","0.0744","","","0.2054","0.2335","","","","","","1.031","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220279","17.5554","0.0003","13.43772","0.00018","19.9408","0.0004","90","","114.831","0.002","90","","4269.23","0.14","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrilesolvate","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrile solvate","","- C46 H57 N O11 -","- C46 H57 N O11 -","- C184 H228 N4 O44 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.0552","0.0434","","","0.1026","0.1104","","","","","","1.023","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220280","5.7534","0.0003","9.4518","0.0005","11.2735","0.0009","90","","90","","90","","613.05","0.07","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0511","0.0409","","","0.0778","0.0817","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220281","12.589","0.007","15.197","0.007","9.669","0.005","90","","115.502","0.008","90","","1669.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B2 H N3 O17 Pb6 -","- B2 N3 O16 Pb6 -","- B8 N12 O64 Pb24 -","4","0.5","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0583","0.0472","","","0.1116","0.1151","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220282","9.0637","0.0003","9.9713","0.0004","11.6123","0.0005","85.559","0.003","79.021","0.003","88.64","0.003","1027.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B2 H N3 O19 Pb8 -","- B2 N3 O19 Pb8 -","- B4 N6 O38 Pb16 -","2","1","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0268","0.0218","","","0.0342","0.0364","","","","","","0.924","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220283","8.8603","0.0007","15.0334","0.0012","15.751","0.0012","91.487","0.002","101.436","0.002","104.501","0.001","1984.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C110 H94 O4 -","- C110 H94 O4 -","- C110 H94 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.069","0.0513","","","0.1309","0.1447","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220284","16.743","0.006","11.222","0.004","20.629","0.007","90","","110.342","0.006","90","","3634","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C44 H59 O2 -","- C44 H59 O2 -","- C176 H236 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1378","0.078","","","0.1881","0.2159","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220285","16.7","0.005","11.277","0.004","20.825","0.007","90","","110.134","0.007","90","","3682","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H60 O2 -","- C45 H60 O2 -","- C180 H240 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1765","0.0883","","","0.2046","0.2447","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220286","17.096","0.004","11.004","0.002","21.653","0.005","90","","110.79","0.004","90","","3808.2","1.4","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H61 O2 -","- C45 H61 O2 -","- C180 H244 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1871","0.0986","","","0.2617","0.3125","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220287","8.126","0.002","8.979","0.003","14.064","0.004","71.815","0.007","75.414","0.007","66.78","0.007","886.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C48 H42 O4 -","- C48 H42 O4 -","- C48 H42 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.0664","0.0486","","","0.1252","0.1339","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220288","11.057","0.005","12.6","0.005","13.982","0.005","82.66","0.005","84.841","0.005","82.541","0.005","1910.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Cd2 N4 O8.5 -","- C44 H28 Cd2 N4 O8.5 -","- C88 H56 Cd4 N8 O17 -","2","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0538","0.0357","","","0.0845","0.093","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220289","11.561","0.005","14.705","0.005","11.867","0.005","90","","95.169","0.005","90","","2009.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd N2 O4.5 -","- C24 H14 Cd N2 O4.5 -","- C96 H56 Cd4 N8 O18 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0447","0.0294","","","0.066","0.0717","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220290","15.0315","0.0014","10.8209","0.001","20.331","0.0019","90","","106.002","0.002","90","","3178.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cu2 N6 O9 -","- C31 H22 Cu2 N6 O8 -","- C124 H88 Cu8 N24 O32 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.0923","0.0474","","","0.0834","0.0925","","","","","","1.023","","","","has coordinates","143406","2020-10-21","18:00:00",""
"7220291","15.481","0.005","15.415","0.005","15.994","0.005","90","","118.221","0.005","90","","3363.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 Co3 N8 O18 -","- C72 H66 Co3 N8 O18 -","- C144 H132 Co6 N16 O36 -","2","0.5","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.063","0.0439","","","0.1071","0.1172","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220292","9.7473","0.0019","15.238","0.003","30.16","0.006","90","","93.463","0.003","90","","4471.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cd2 N10 O11 -","- C48 H34.5 Cd2 N10 O11 -","- C192 H138 Cd8 N40 O44 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.1349","0.0821","","","0.2085","0.2446","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220293","13.135","0.001","13.135","0.001","5.8794","0.0012","90","","90","","120","","878.5","0.2","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0228","0.0227","","","0.057","0.057","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220294","13.0601","0.0003","13.0601","0.0003","5.8637","0.0003","90","","90","","120","","866.15","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0297","0.0291","","","0.0581","0.0583","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220295","13.0479","0.0003","13.0479","0.0003","5.8596","0.0002","90","","90","","120","","863.93","0.04","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0304","0.0299","","","0.0606","0.0609","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220296","13.0373","0.0003","13.0373","0.0003","5.8491","0.0003","90","","90","","120","","860.98","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0336","0.0329","","","0.0666","0.0669","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220297","15.4619","0.0008","16.9321","0.0008","19.698","0.001","90","","110.386","0.005","90","","4834","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C146 H48 B2 Cl4 N12 O2 -","- C146 H48 B2 Cl4 N12 O2 -","- C292 H96 B4 Cl8 N24 O4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Coordination complex of boron subphthalocyanine (BSubPc) with fluorenone pinacolate: effective π‒π interaction of concave BSubPc macrocycle with fullerene C60","CrystEngComm","2015","17","21","3923","","10.1039/C5CE00754B","","","0.85507","synchrotron","","0.1058","0.0808","","","0.1919","0.2045","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220298","9.687","0.002","17.32","0.005","12.544","0.003","90","","108.034","0.007","90","","2001.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 Pd S7 -","- C13 H18 N2 Pd S7 -","- C52 H72 N8 Pd4 S28 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0475","0.0289","","","0.0633","0.0673","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220299","14.578","0.001","16.218","0.001","16.257","0.001","90","","90","","90","","3843.6","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 Pt S7 -","- C13 H18 N2 Pt S7 -","- C104 H144 N16 Pt8 S56 -","8","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0582","0.0294","","","0.0641","0.0738","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220300","18.7965","0.001","13.9047","0.0008","12.8843","0.0006","90","","96.01","0.004","90","","3348.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C120 H164 I8 N12 O24 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1164","0.0553","","","0.0715","0.1651","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220301","37.3738","0.0017","13.9167","0.0011","12.8674","0.0007","90","","90","","90","","6692.6","0.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C240 H328 I16 N24 O48 -","8","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1384","0.0639","","","0.0823","0.1033","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220302","8.1929","0.0002","11.3278","0.0003","13.1285","0.0003","90","","105.735","0.003","90","","1172.76","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-trimethylammonium-benzoic acid iodide","3-trimethylammonium-benzoic acid iodide","","- C10 H14 I N O2 -","- C10 H14 I N O2 -","- C40 H56 I4 N4 O8 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.0765","0.0675","","","0.1846","0.1988","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220303","7.7212","0.0008","11.4938","0.0012","11.997","0.0012","90","","115.507","0.001","90","","960.91","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 Mo2.66 O12 W0.34 -","- Bi2 Mo2.656 O12 W0.344 -","- Bi8 Mo10.624 O48 W1.376 -","4","1","","Tian, Xiangxin; Wu, Qian; Zhao, Peng; Wang, Zheng; Feng, Xiaoxiao; Li, Conggang; Sun, Youxuan; Wang, Shanpeng; Gao, Zeliang; Tao, Xutang","Top-seeded solution growth and characterization of a Bi2Mo2.66W0.34O12single crystal","CrystEngComm","2015","17","24","4525","","10.1039/C5CE00639B","","","0.71069","MoKα","","0.0353","0.0249","","","0.0449","0.0479","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220304","4.7574","0.0007","11.0476","0.0017","26.177","0.005","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-5-(4-bromophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine","","- C14 H9 Br F3 N3 -","- C14 H9 Br F3 N3 -","- C56 H36 Br4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0905","0.0441","","","0.0991","0.1262","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220305","3.9185","0.0003","10.5324","0.001","25.539","0.002","90","","90.642","0.003","90","","1053.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0931","0.0515","","","0.1373","0.163","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220306","3.8161","0.0002","10.6532","0.0005","25.8317","0.0012","90","","90.724","0.003","90","","1050.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C52 H40 F4 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1022","0.0553","","","0.1472","0.1941","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220307","3.9134","0.0001","10.8096","0.0002","13.8568","0.0003","90","","96.907","0.001","90","","581.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-bromophenyl)-pyrazolo[1,5-a]pyrimidine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C26 H20 Br2 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0759","0.0464","","","0.1055","0.1173","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220308","4.0774","0.0003","12.7591","0.0006","19.5223","0.0009","90","","90","","90","","1015.63","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(pyrid-2-yl)pyrazolo[1,5-a]pyrimidine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1094","0.0507","","","0.1222","0.1464","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220309","7.8462","0.0005","11.2089","0.0009","16.8641","0.0012","90","","92.389","0.005","90","","1481.86","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-5-(naphthalen-2-yl)-7-(trifluorometh","","","- C18 H12 F3 N3 -","- C18 H12 F3 N3 -","- C72 H48 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.191","0.0535","","","0.1099","0.1521","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220310","10.3016","0.0007","16.0564","0.0011","6.8555","0.0006","90","","93.098","0.005","90","","1132.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2,5-dimethyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C36 H32 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1291","0.0754","","","0.1958","0.2157","","","","","","0.878","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220311","11.2451","0.0008","5.8697","0.0004","20.9201","0.0016","90","","104.896","0.005","90","","1334.43","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-tricholoromethyl-5-propylpyrazolo[1,5-a]pyrimidine","","- C11 H12 Cl3 N3 -","- C11 H12 Cl3 N3 -","- C44 H48 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0576","0.0361","","","0.1069","0.1361","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220312","7.4329","0.0002","6.7756","0.0002","11.1667","0.0003","90","","90.276","0.001","90","","562.37","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo-2-methyl-7-tricholomethylpyrazolo[1,5-a]pyrimidine","","- C8 H5 Br Cl3 N3 -","- C8 H5 Br Cl3 N3 -","- C16 H10 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0482","0.0362","","","0.0954","0.1008","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220313","9.6363","0.0003","6.9353","0.0002","9.8541","0.0003","90","","111.24","0.002","90","","613.82","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo -2,5-dimethyl-7-trichoromethylpyrazolo[1,5-a]pyrimidine","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C18 H14 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0578","0.0416","","","0.1251","0.1357","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220314","4.8715","0.0002","11.2655","0.0005","13.5584","0.0006","110.225","0.003","96.808","0.003","99.835","0.003","675.13","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[1,5-a]pyrimidine","2-methyl-5-p-tolyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C15 H12 F3 N3 -","- C15 H12 F3 N3 -","- C30 H24 F6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0959","0.0595","","","0.1859","0.2282","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220315","4.7929","0.0004","10.5914","0.0009","26.224","0.002","90","","90","","90","","1331.22","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chlorophenyl trifluoromethyl methylpyrirazole pyridine","5-(4-chlorophenyl)-7-trifluoromethyl-2-methylpyrirazole[1,5-a]pyridine","","- C14 H9 Cl F3 N3 -","- C14 H9 Cl F3 N3 -","- C56 H36 Cl4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0642","0.0367","","","0.0766","0.0878","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220316","16.126","0.003","8.7468","0.0017","9.3691","0.0019","90","","90","","90","","1321.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N, N-diisopropylpropan-1-ammonium perchlorate","","- C9 H22 Cl N O4 -","- C9 H22 Cl N O4 -","- C36 H88 Cl4 N4 O16 -","4","1","","Wang, Wen-Xiang; Huang, Yao","High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate","CrystEngComm","2015","17","20","3783","","10.1039/C4CE02562H","","","0.71073","MoKα","","0.0805","0.0491","","","0.1052","0.1173","","","","","","1.046","","","","has coordinates","138536","2020-10-21","18:00:00",""
"7220317","16.424","0.018","32.97","0.04","7.432","0.01","90","","92.02","0.03","90","","4022","9","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14.98 N2 O4 Zn -","- C26 H14.982 N2 O4 Zn -","- C104 H59.928 N8 O16 Zn4 -","4","0.5","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","1.54187","CuKα","","0.0731","0.0689","","","0.2051","0.2151","","","","","","1.076","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220318","8.5983","0.0006","10.15","0.0007","16.0657","0.001","75.657","0.002","88.717","0.002","67.973","0.002","1255.35","0.15","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O4 -","- C26 H16 Cu N2 O4 -","- C52 H32 Cu2 N4 O8 -","2","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.0752","0.0559","","","0.1713","0.182","","","","","","1.06","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220319","25.938","0.003","18.158","0.002","16.7929","0.0019","90","","116.945","0.002","90","","7050.6","1.4","123","2","123.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C77 H63 Co3 N7 O16 -","- C77 H63 Co3 N7 O16 -","- C308 H252 Co12 N28 O64 -","4","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.059","0.048","","","0.1302","0.1757","","","","","","1.078","","","","has coordinates","143414","2020-10-21","18:00:00",""
"7220320","16.5081","0.0007","23.4259","0.0008","10.2617","0.0003","90","","92.433","0.003","90","","3964.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O6 W -","- C16 H26 N4 O6 W -","- C128 H208 N32 O48 W8 -","8","2","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","1.54178","CuKα","","0.1131","0.084","","","0.1897","0.2009","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220321","7.1077","0.0006","30.734","0.003","9.8061","0.0008","90","","102.769","0.002","90","","2089.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","0.71073","MoKα","","0.082","0.0577","","","0.1067","0.1171","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220322","23.7742","0.0003","23.7742","0.0003","13.7571","0.0002","90","","90","","120","","6733.94","0.16","103","2","103","2","","","","","","","","7","P -3","-P 3","147","(TT-TTF)3(PMo12O40)","(TT-TTF)3(PMo12O40)","","- C67 H36 Cl2 Mo12 O40 P S36 -","- C67 H36 Cl2.01 Mo12 O40 P S36 -","- C134 H72 Cl4.02 Mo24 O80 P2 S72 -","2","0.333333","","Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng","Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate","CrystEngComm","2015","17","22","4110","","10.1039/C5CE00510H","","","0.71073","MoKα","","0.0352","0.0264","","","0.0527","0.0569","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220323","10.9252","0.0009","9.3337","0.0006","14.2595","0.0003","90","","98.0093","0.001","90","","1439.89","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Zn(Im)(HIm)2(OAc)","","- C11 H14 N6 O2 Zn -","- C11 H14 N6 O2 Zn -","- C44 H56 N24 O8 Zn4 -","4","1","","Shi, Qi; Wang, Fei; Kang, Xiaozhen; Xu, Jun; Huang, Yining; Li, Jinping; Dong, Jinxiang","A single precursor approach for ZIF synthesis: transformation of a new 1D [Zn(Im)(HIm)2(OAc)] structure to 3D Zn(Im)2frameworks","CrystEngComm","2015","17","21","3998","","10.1039/C5CE00211G","","","0.71073","MoKα","","0.1112","0.0656","","","0.1627","0.1726","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220324","9.3789","0.0003","10.9247","0.0004","18.8993","0.0006","104.858","0.003","94.314","0.002","107.714","0.003","1758.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H10 O14 Zn2.5 -","- C24 H10 O14 Zn2.5 -","- C48 H20 O28 Zn5 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54178","CuKα","","0.0508","0.0465","","","0.1505","0.1558","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220325","11.0076","0.0004","21.4138","0.0008","13.7391","0.0006","90","","108.52","0.005","90","","3070.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N0 O13 Zn -","- C24 H13 O13 Zn -","- C96 H52 O52 Zn4 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0624","0.0457","","","0.0989","0.1056","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220326","18.3439","0.0003","8.809","0.0001","23.4388","0.0004","90","","101.965","0.002","90","","3705.22","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O8.5 Zn -","- C17 H20 N2 O8.5 Zn -","- C136 H160 N16 O68 Zn8 -","8","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0568","0.0548","","","0.1477","0.1492","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220327","12.024","0.003","13.773","0.004","15.85","0.004","90","","99.093","0.005","90","","2591.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O10 Zn2 -","- C16 H11 N O10 Zn2 -","- C64 H44 N4 O40 Zn8 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","0.71073","MoKα","","0.0523","0.0439","","","0.1314","0.1359","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220328","17.0549","0.0003","15.3986","0.0003","23.0104","0.0005","90","","102.754","0.002","90","","5893.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N2 O18 Zn4 -","- C38 H41 N4 O18 Zn4 -","- C152 H164 N16 O72 Zn16 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0933","0.0824","","","0.25","0.2626","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220329","12.6554","0.0036","16.0575","0.0033","5.2045","0.0012","90","","90","","90","","1057.6","0.4","308","2","308","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L tyrosine ethyl ester","L tyrosine ethyl ester","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.","Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III","CrystEngComm","2015","17","21","3974","","10.1039/C5CE00284B","","","0.4499","synchrotron","","2.629","","","","","0.284","","","","","","1.636","","","","has coordinates","193997","2020-10-21","18:00:00",""
"7220330","6.9599","0.0005","25.9822","0.0013","8.01","0.0005","90","","105.224","0.007","90","","1397.64","0.16","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theophylline-salicylic acid cocrystal","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Zhang, Shuo; Chen, Hong; Rasmuson, Åke. C.","Thermodynamics and crystallization of a theophylline‒salicylic acid cocrystal","CrystEngComm","2015","17","22","4125","","10.1039/C5CE00240K","","","1.54178","CuKα","","0.0886","0.0718","","","0.1994","0.2085","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220331","26.648","0.003","14.3871","0.0011","15.1191","0.001","90","","90","","90","","5796.5","0.9","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Cl2 Cu N3 O6 -","- C36 H21 Cl2 Cu N3 O6 -","- C288 H168 Cl16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2665","0.2272","","","0.5573","0.5743","","","","","","2.242","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220332","26.8621","0.0018","14.5732","0.0008","15.1408","0.0007","90","","90","","90","","5927.1","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Cu N3 O6 -","- C36 H21 Br2 Cu N3 O6 -","- C288 H168 Br16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2463","0.2047","","","0.5611","0.577","","","","","","2.353","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220333","26.7895","0.0007","14.5479","0.0004","15.1124","0.0005","90","","90","","90","","5889.8","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H23 Cl2 Hg N3 O7 -","- C36 H23 Cl2 Hg N3 O7 -","- C288 H184 Cl16 Hg8 N24 O56 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1824","0.1633","","","0.5056","0.52","","","","","","2.395","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220334","26.8929","0.0009","14.6597","0.0004","15.0879","0.0004","90","","90","","90","","5948.3","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Hg N3 O6 -","- C36 H21 Br2 Hg N3 O6 -","- C288 H168 Br16 Hg8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1675","0.1384","","","0.4497","0.4686","","","","","","1.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220335","7.0081","0.0014","11.651","0.004","12.321","0.003","88.883","0.014","78.274","0.015","87.09","0.02","983.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0751","0.0729","","","0.1709","0.1776","","","","","","1.095","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220336","7.054","0.0002","11.7587","0.0006","12.42","0.0006","90","","102.097","0.003","90","","1007.31","0.08","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.0388","","","0.1068","0.1101","","","","","","1.075","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220337","7.065","0.005","11.601","0.005","12.596","0.005","87.073","0.005","78.284","0.005","83.751","0.005","1004.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0385","","","0.1015","0.1043","","","","","","1.156","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220338","7.1138","0.0005","11.8204","0.0008","12.7513","0.0008","88.872","0.005","77.488","0.005","87.918","0.005","1046","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1801","0.1403","","","0.3974","0.4351","","","","","","1.584","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220339","10.0292","0.0001","12.6468","0.0001","16.6405","0.0002","76.624","0.001","79.849","0.001","88.912","0.001","2020.72","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0326","","","0.0794","0.085","","","","","","1.017","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220340","10.078","0.0002","12.7955","0.0004","16.6985","0.0005","76.079","0.001","80.178","0.002","89.127","0.002","2058.69","0.1","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0927","0.0439","","","0.0888","0.1041","","","","","","1.006","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220341","7.2421","0.0002","11.5317","0.0004","12.6415","0.0003","84.884","0.002","77.206","0.002","83.702","0.002","1021.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.039","","","0.1083","0.1113","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220342","7.275","0.002","11.692","0.004","12.76","0.004","85.868","0.002","76.764","0.002","85.302","0.002","1051.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.043","0.0349","","","0.0885","0.0938","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220343","7.6106","0.0001","11.3658","0.0002","23.8383","0.0005","90","","93.826","0.001","90","","2057.43","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0558","0.0421","","","0.0835","0.0876","","","","","","1.158","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220344","7.6865","0.0002","11.5038","0.0004","24.0051","0.0007","90","","85.856","0.002","90","","2117.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0764","0.0585","","","0.1557","0.1666","","","","","","1.076","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220345","7.668","0.0002","11.4447","0.0002","24.1613","0.0005","90","","93.46","0.001","90","","2116.48","0.08","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0524","0.0359","","","0.0801","0.0862","","","","","","1.043","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220346","7.7266","0.0003","11.5898","0.0005","24.3459","0.0009","90","","93.458","0.002","90","","2176.2","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1165","0.046","","","0.0955","0.1191","","","","","","0.959","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220347","7.6664","0.0001","11.6061","0.0002","23.8228","0.0004","90","","96.237","0.001","90","","2107.14","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0489","0.0355","","","0.0902","0.0971","","","","","","1.06","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220348","7.753","0.0003","11.7757","0.0005","24.0225","0.001","90","","96.556","0.002","90","","2178.84","0.15","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0549","0.0482","","","0.1334","0.1401","","","","","","1.066","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220349","15.4575","0.0002","11.6172","0.0002","24.5781","0.0002","90","","102.438","0.001","90","","4309.97","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H102 Fe4 N28 O Se8 -","- C144 H204 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0729","0.0442","","","0.1053","0.1175","","","","","","1.007","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220350","15.5939","0.0003","11.7657","0.0002","24.7536","0.0005","90","","102.373","0.001","90","","4436.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H103 Fe4 N28 O Se8 -","- C144 H206 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0943","0.0477","","","0.1176","0.1367","","","","","","1.027","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220351","12.8229","0.0004","14.7384","0.0005","25.0376","0.0008","90","","91.34","0.0001","90","","4730.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cu3 Mo24 N32 O84 P2 -","- C16 H36 Cu3 Mo24 N32 O84 P2 -","- C32 H72 Cu6 Mo48 N64 O168 P4 -","2","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0319","0.0289","","","0.1147","0.119","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220352","18.331","0.012","13.2839","0.0009","26.055","0.002","90","","109.215","0.001","90","","5991","4","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C12 H38 Cu2 N24 O47 Si W12 -","- C12 H38 Cu2 N24 O47 Si W12 -","- C48 H152 Cu8 N96 O188 Si4 W48 -","4","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.1271","0.1225","","","0.2812","0.2838","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220353","13.4466","0.0011","13.4785","0.0011","13.8805","0.0012","64.45","0.0001","61.819","0.0001","78.75","0.002","2000.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H29 Cr Cu2 Mo6 N16 O28 -","- C8 H22 Cr Cu2 Mo6 N16 O28 -","- C16 H44 Cr2 Cu4 Mo12 N32 O56 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0929","0.0532","","","0.143","0.1641","","","","","","1.023","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220354","10.0148","0.0007","19.0431","0.0014","21.532","0.0015","90","","102.757","0.001","90","","4005.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H32 Cu3 Mo8 N12 O37 -","- C6 H24 Cu3 Mo8 N12 O37 -","- C24 H96 Cu12 Mo32 N48 O148 -","4","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0426","0.037","","","0.1024","0.1054","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220355","8.7273","0.0009","12.8497","0.0009","12.8591","0.001","86.154","0.001","75.879","0.001","75.844","0.001","1356","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Cu3 N12 O18 V5 -","- C6 H14 Cu3 N12 O18 V5 -","- C12 H28 Cu6 N24 O36 V10 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0488","0.0354","","","0.0901","0.1014","","","","","","1.062","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220356","14.7921","0.0002","15.0566","0.0002","21.4174","0.0003","90","","99.831","0.001","90","","4700.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H37 Mg3 N2 O16 -","- C51 H37 Mg3 N2 O16 -","- C204 H148 Mg12 N8 O64 -","4","1","","Wu, Zhao-Feng; Tan, Bin; Du, Cheng-Feng; Feng, Mei-Ling; Xie, Zai-Lai; Huang, Xiao-Ying","An ionothermally synthesized Mg-based coordination polymer as a precursor for preparing porous carbons","CrystEngComm","2015","17","23","4288","","10.1039/C5CE00591D","","","0.71073","MoKα","","0.0988","0.086","","","0.2218","0.2274","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220357","4.8536","0.0011","7.8906","0.0017","8.8251","0.0019","78.1348","0.0027","86.3966","0.0028","75.122","0.0028","319.65","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","1","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0282","0.0279","","","0.0668","0.067","","","","","","1.091","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220358","11.6947","0.0009","17.3278","0.0014","9.1324","0.0007","90","","98.167","0.001","90","","1831.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0476","0.0418","","","0.1204","0.1242","","","","","","1.132","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220359","11.7013","0.0018","17.518","0.003","9.1703","0.0014","90","","98.006","0.002","90","","1861.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.031","0.025","","","0.0608","0.0657","","","","","","1.033","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220360","9.358","0.004","10.882","0.005","10.968","0.004","116.299","0.006","96.468","0.006","91.599","0.006","991.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2c","","","- C13 H16 Ag F6 N2 O5 P Pd -","- C13 H16 Ag F6 N2 O5 P Pd -","- C26 H32 Ag2 F12 N4 O10 P2 Pd2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0654","0.0592","","","0.1688","0.1765","","","","","","1.091","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220361","9.9183","0.0013","10.7825","0.0014","11.6604","0.0015","65.896","0.002","71.7491","0.0019","88.957","0.002","1072.3","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6","","","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C28 H28 Ag2 Cl4 F6 N4 O14 Pd2 S2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0648","0.0374","","","0.072","0.0838","","","","","","0.992","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7220362","4.6283","0.0008","25.815","0.004","7.8121","0.0013","90","","105.265","0.002","90","","900.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7","","","- C12 H12 Ag2 N4 O10 Pd -","- C12 H12 Ag2 N4 O10 Pd -","- C24 H24 Ag4 N8 O20 Pd2 -","2","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0197","0.018","","","0.0432","0.044","","","","","","1.071","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220363","11.964","0.0016","17.688","0.002","9.108","0.0011","90","","96.437","0.003","90","","1915.3","0.4","320","2","320","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0368","0.0322","","","0.1187","0.1291","","","","","","1","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220364","11.915","0.0017","17.722","0.003","9.1692","0.0013","90","","96.44","0.002","90","","1923.9","0.5","320","2","320","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0387","0.0359","","","0.1123","0.1194","","","","","","0.986","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220365","11.684","0.0011","17.2956","0.0016","9.1223","0.0009","90","","98.158","0.002","90","","1824.8","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C52 H64 Ag4 B2 Cl2 F8 N8 O28 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0519","0.0412","","","0.0992","0.1063","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220366","25.245","0.003","9.6639","0.001","20.026","0.002","90","","128.93","0.001","90","","3800.6","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 Nd2 O32 S Zn4 -","- C20 H4 N8 Nd2 O32 S Zn4 -","- C80 H16 N32 Nd8 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0326","0.0287","","","0.0768","0.0791","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220367","25.1944","0.0017","9.6262","0.0006","19.9847","0.0012","90","","128.905","0.001","90","","3771.7","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 O32 S Sm2 Zn4 -","- C20 H4 N8 O32 S Sm2 Zn4 -","- C80 H16 N32 O128 S4 Sm8 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.03","0.0265","","","0.0677","0.0693","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220368","25.1496","0.0013","9.6309","0.0005","20.0039","0.0011","90","","128.937","0.001","90","","3768.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Eu2 N8 O32 S Zn4 -","- C20 H4 Eu2 N8 O32 S Zn4 -","- C80 H16 Eu8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0249","0.0222","","","0.0585","0.0596","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220369","25.1442","0.0019","9.6068","0.0007","19.9794","0.0014","90","","128.933","0.002","90","","3754.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Gd2 N8 O32 S Zn4 -","- C20 H4 Gd2 N8 O32 S Zn4 -","- C80 H16 Gd8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0263","0.0235","","","0.0619","0.0632","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220370","11.7327","0.0015","17.388","0.002","31.903","0.004","90","","90","","90","","6508.5","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 -","- C37 H38 O3 -","- C296 H304 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1319","0.0839","","","0.2311","0.2667","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220371","11.719","0.002","17.993","0.004","30.484","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O3 -","- C37 H50 O3 -","- C296 H400 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0676","0.0536","","","0.134","0.1432","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220372","6.5774","0.0013","10.92","0.002","13.999","0.003","84.03","0.03","81.51","0.03","77.91","0.03","969.6","0.4","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H62 O4 -","- C44 H62 O4 -","- C44 H62 O4 -","1","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0823","0.0863","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220373","11.8542","0.0004","12.0125","0.0004","61.234","0.002","90","","90","","90","","8719.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H133 O8 -","- C98 H132.999 O8 -","- C392 H531.996 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1167","0.0637","","","0.1384","0.1617","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220374","11.7623","0.0006","12.028","0.0006","61.71","0.003","90","","90","","90","","8730.5","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1088","0.0676","","","0.1643","0.1888","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220375","11.956","0.002","12.023","0.002","60.792","0.012","90","","90","","90","","8739","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1282","0.0769","","","0.1961","0.2276","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220376","16.527","0.011","20.962","0.014","16.969","0.012","90","","106.983","0.01","90","","5622","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C171 H186 Cl14 Cu4 N64 O30 -","4","1","","Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin","Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework","CrystEngComm","2015","17","22","4102","","10.1039/C5CE00547G","","","0.71073","MoKα","","0.1348","0.0932","","","0.2646","0.302","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220377","14.5312","0.0002","14.5312","0.0002","18.095","0.0006","90","","90","","90","","3820.86","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C39 H32 Fe Mn2 N10 O5 -","- C39 H32 Fe Mn2 N10 O5 -","- C156 H128 Fe4 Mn8 N40 O20 -","4","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.7107","MoKα","","0.0375","0.0307","","","0.0776","0.0824","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220378","22.121","0.002","17.3201","0.0005","16.1353","0.0015","90","","135.236","0.018","90","","4353.3","1.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C84 H80 Mn5 N20 O17 -","- C84 H80 Mn5 N20 O17 -","- C168 H160 Mn10 N40 O34 -","2","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0822","0.066","","","0.1791","0.1894","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220379","26.8212","0.0019","17.721","0.002","10.233","0.0008","90","","90","","90","","4863.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16.5 H17.5 Fe Mn N13 O3.75 -","- C16.5 H17 Fe Mn N13 O3.75 -","- C132 H136 Fe8 Mn8 N104 O30 -","8","2","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0533","0.0492","","","0.1114","0.1141","","","","","","1.036","","","","has coordinates,has disorder","138538","2020-10-21","18:00:00",""
"7220380","14.7874","0.0004","17.9105","0.0005","14.6394","0.0004","90","","90","","90","","3877.24","0.18","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H39 Ag N2 P2 S2 -","- C46 H39 Ag N2 P2 S2 -","- C184 H156 Ag4 N8 P8 S8 -","4","0.5","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","0.71073","MoKα","","0.0666","0.0401","","","0.0768","0.0915","","","","","","1.079","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220381","20.4449","0.0005","20.4449","0.0005","34.6253","0.0009","90","","90","","90","","14473.2","0.6","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C82 H68 Ag2 N2 P4 S2 -","- C82 H68 Ag2 N2 P4 S2 -","- C656 H544 Ag16 N16 P32 S16 -","8","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1221","0.0888","","","0.2519","0.2832","","","","","","1.036","","","","has coordinates,has disorder","138552","2020-10-21","18:00:00",""
"7220382","9.9533","0.0006","14.2851","0.0006","15.24","0.001","93.498","0.004","90.926","0.005","103.226","0.004","2104.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 N2 P2 S2 -","- C46 H38 Ag2 N2 P2 S2 -","- C92 H76 Ag4 N4 P4 S4 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0991","0.0796","","","0.2154","0.2533","","","","","","1.01","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220383","14.6363","0.0006","16.8676","0.0005","19.0727","0.001","97.323","0.003","112.344","0.004","94.429","0.003","4278.9","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H79 Ag3 N3 O2 P4 Se3 -","- C88 H78 Ag3 N3 O2 P4 Se3 -","- C176 H156 Ag6 N6 O4 P8 Se6 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0995","0.0691","","","0.1868","0.2144","","","","","","0.99","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220384","12.2175","0.001","13.7065","0.001","17.1985","0.0015","87.407","0.007","86.817","0.007","69.329","0.007","2689.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H57 Ag N O2 P3 Se -","- C61 H57 Ag N O2 P3 Se -","- C122 H114 Ag2 N2 O4 P6 Se2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1307","0.0802","","","0.2005","0.239","","","","","","1.003","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220385","11.4611","0.0006","12.624","0.0007","19.6133","0.0013","85.935","0.005","74.285","0.005","71.483","0.005","2589.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Ag N O P3 S -","- C60 H53 Ag N O P3 S -","- C120 H106 Ag2 N2 O2 P6 S2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1047","0.0844","","","0.2321","0.2586","","","","","","1.077","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220386","6.7352","0.0013","7.5089","0.0015","9.6823","0.0019","90","","90","","90","","489.67","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0173","0.0169","","","0.0397","0.0398","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220387","11.804","0.002","5.7178","0.0011","10.984","0.002","90","","115.84","0.03","90","","667.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H7 Cu N9 -","- C H7 Cu N9 -","- C4 H28 Cu4 N36 -","4","0.5","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0336","0.0318","","","0.0893","0.0901","","","","","","1.142","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220388","13.3217","0.0002","11.7975","0.0002","23.3963","0.0005","90","","123.48","0.002","90","","3066.93","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H Cd2 N4 O9 -","- C20 H18 Cd2 N8 O13 -","- C80 H72 Cd8 N32 O52 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0423","0.0382","","","0.0838","0.0862","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220389","21.032","0.002","7.9734","0.0008","12.5404","0.0013","90","","110.192","0.001","90","","1973.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Cd N O7 -","- C6 H8 Cd N2 O7 -","- C48 H64 Cd8 N16 O56 -","8","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0223","0.0209","","","0.0534","0.0543","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220390","15.5653","0.0018","15.3856","0.0018","14.8364","0.0017","90","","109.725","0.001","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cd2 N7 O15 -","- C27 H29 Cd2 N7 O15 -","- C108 H116 Cd8 N28 O60 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0846","0.0664","","","0.1844","0.203","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220391","10.7212","0.0001","7.7259","0.0001","8.678","0.0001","90","","110.037","0.001","90","","675.298","0.014","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cd N O4 -","- C7 H3 Cd N O4 -","- C28 H12 Cd4 N4 O16 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0255","0.0235","","","0.0596","0.061","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220392","9.1774","0.0008","16.6983","0.0015","14.3375","0.0011","90","","105.865","0.004","90","","2113.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","felodipine:acetone (1:1)","felodipine:acetone (1:1)","","- C21 H25 Cl2 N O5 -","- C21 H25 Cl2 N O5 -","- C84 H100 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0857","0.0929","","","","","","1.035","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220393","7.394","0.0007","11.4991","0.001","29.003","0.002","90","","90","","90","","2466","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","felodipine:acetophenone (1:1)","","","- C26 H27 Cl2 N O5 -","- C26 H27 Cl2 N O5 -","- C104 H108 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0699","0.0531","","","0.1121","0.1186","","","","","","1.067","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220394","8.66","0.003","9.816","0.003","13.782","0.004","87.37","0.02","79.17","0.03","77.79","0.03","1124.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","felodipine:dimethylsulfoxide (1:1)","","","- C20 H25 Cl2 N O5 S -","- C20 H25 Cl2 N O5 S -","- C40 H50 Cl4 N2 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.1603","0.0841","","","0.1971","0.242","","","","","","1.044","","","","has coordinates,has disorder","138522","2020-10-21","18:00:00",""
"7220395","14.265","0.005","7.246","0.002","8.86","0.003","90","","90","","90","","915.8","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H11 O3 P -","- C8 H11 O3 P -","- C32 H44 O12 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0249","0.0247","","","0.0586","0.0587","","","","","","1.063","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220396","6.1259","0.0012","13.308","0.003","14.863","0.003","90","","90","","90","","1211.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O4 P -","- C11 H17 O4 P -","- C44 H68 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0197","0.0197","","","0.0523","0.0524","","","","","","1.072","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220397","21.412","0.005","7.5902","0.0015","18.474","0.004","90","","105.45","0.004","90","","2893.9","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O5 P -","- C12 H21 O5 P -","- C96 H168 O40 P8 -","8","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0329","0.0322","","","0.087","0.0876","","","","","","1.056","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220398","17.986","0.003","7.8722","0.0011","28.879","0.004","90","","92.107","0.003","90","","4086.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 O5 P -","- C11 H19 O5 P -","- C132 H228 O60 P12 -","12","3","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0632","0.0603","","","0.1618","0.1645","","","","","","1.06","","","","has coordinates,has disorder","138553","2020-10-21","18:00:00",""
"7220399","12.989","0.005","9.027","0.004","14.006","0.005","90","","111.738","0.005","90","","1525.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O4 P -","- C13 H24 N O4 P -","- C52 H96 N4 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0465","0.042","","","0.09","0.0928","","","","","","1.103","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220400","16.269","0.004","24.011","0.006","18.92","0.005","90","","112.875","0.004","90","","6810","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N2 O10 P2 -","- C32 H44 Cu N2 O10 P2 -","- C256 H352 Cu8 N16 O80 P16 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0872","0.0755","","","0.1572","0.1646","","","","","","1.161","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220401","16.398","0.006","23.992","0.008","18.942","0.007","90","","112.576","0.005","90","","6881","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O10 P2 Zn -","- C32 H44 N2 O10 P2 Zn -","- C256 H352 N16 O80 P16 Zn8 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.1115","0.1009","","","0.271","0.2885","","","","","","1.188","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220402","11.9663","0.0017","9.6417","0.0014","23.758","0.003","90","","99.533","0.002","90","","2703.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C16 H40 Cl3 Cr N4 O2 S2 -","- C16 H40 Cl3 Cr N4 O2 S2 -","- C64 H160 Cl12 Cr4 N16 O8 S8 -","4","2","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.047","0.038","","","0.0887","0.0921","","","","","","1.091","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220403","25.314","0.006","11.006","0.003","14.816","0.004","90","","111.163","0.005","90","","3849.4","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","2","","","- C26 H61 Cl6 Cr2 N8 O -","- C26 H61 Cl6 Cr2 N8 O -","- C104 H244 Cl24 Cr8 N32 O4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.1095","0.0676","","","0.1451","0.1684","","","","","","1.001","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220404","11.171","0.004","7.283","0.002","15.335","0.005","90","","101.113","0.005","90","","1224.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3","","","- C18 H34 Cr N7 O8 -","- C18 H34 Cr N7 O8 -","- C36 H68 Cr2 N14 O16 -","2","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0712","0.0638","","","0.1646","0.1697","","","","","","1.083","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220405","7.1767","0.0005","12.5519","0.0009","14.7649","0.001","100.486","0.0011","93.4647","0.0011","106.358","0.0011","1246.06","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","4","","","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","1","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0538","","","0.1277","0.1367","","","","","","1.082","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220406","9.503","0.0006","13.741","0.0009","19.6128","0.0013","71.2181","0.0011","83.8466","0.0012","71.8161","0.0011","2303.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","6","","","- C18 H28 Cr N5 O8 -","- C18 H28 Cr N5 O8 -","- C72 H112 Cr4 N20 O32 -","4","4","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0512","","","0.1044","0.1144","","","","","","1","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220407","8.287","0.0017","14.806","0.003","21.367","0.004","90","","90","","90","","2621.7","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7","","","- C19 H30 Cr F6 N4 O5 P -","- C19 H30 Cr F6 N4 O5 P -","- C76 H120 Cr4 F24 N16 O20 P4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0577","0.0451","","","0.1044","0.1134","","","","","","1.051","","","","has coordinates","138554","2020-10-21","18:00:00",""
"7220408","10.078","0.002","42.812","0.009","7.2997","0.0016","90","","90","","90","","3149.5","1.1","100","2","100","2","","","","","","","","8","C 2 2 2","C 2 2","21","8","","","- C36 H68 Ag Cr2 F18 N8 O16 P3 -","- C36 H52 Ag Cr2 F18 N8 O16.024 P3 -","- C72 H104 Ag2 Cr4 F36 N16 O32.048 P6 -","2","0.25","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0743","0.0622","","","0.1747","0.188","","","","","","1.087","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220431","7.967","0.0016","27.574","0.006","19.131","0.004","90","","90.23","0.03","90","","4202.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4 in the relevant manuscript","skd175","","- C27 H33 Cl Fe3 N3 O17 -","- C27 H33 Cl Fe3 N3 O17 -","- C108 H132 Cl4 Fe12 N12 O68 -","4","1","","Sabbani, Supriya; Das, Samar K.","Reversible solid to solid transformation in a crystalline state gas‒solid reaction under ambient conditions: Fe‒N(pyridine) bond formation at the expense of Fe‒OH2bond breaking and vice versa","CrystEngComm","2015","17","46","8850","","10.1039/C5CE00488H","","","0.71073","MoKα","","0.2802","0.2369","","","0.5238","0.5415","","","","","","1.722","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220432","8.6812","0.0009","4.9972","0.0006","17.5379","0.0018","90","","97.339","0.006","90","","754.59","0.14","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,13-Dichloropentacene","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Hatcher, Peggy V.; Reibenspies, Joseph H.; Haddon, Robert C.; Li, Dawen; Lopez, Nereo; Chi, Xiaoliu","A polymorph of the 6,13-dichloropentacene organic semiconductor: crystal structure, semiconductor measurements and band structure calculations","CrystEngComm","2015","17","22","4172","","10.1039/C5CE00300H","","","1.54178","CuKα","","0.0631","0.061","","","0.1502","0.1525","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220433","12.8388","0.0018","12.8388","0.0018","12.6024","0.0017","90","","90","","90","","2077.3","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H62 O5 -","- C46 H56 O5 -","- C92 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0712","0.0617","","","0.1896","0.1998","","","","","","1.156","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220434","12.7797","0.0012","12.7797","0.0012","12.7967","0.0017","90","","90","","90","","2090","0.4","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H64 O6 -","- C46 H56 O6 -","- C92 H112 O12 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0548","0.0454","","","0.1216","0.1316","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220435","12.977","0.002","12.977","0.002","12.563","0.002","90","","90","","90","","2115.6","0.6","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C49 H68 O5 -","- C49 H56 O5 -","- C98 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0789","0.0706","","","0.2095","0.2205","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220436","12.8494","0.0013","12.8494","0.0013","25.11","0.003","90","","90","","90","","4145.8","0.8","100","2","100","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C46.5 H62 O4.5 -","- C46.5 H56 O4.5 -","- C186 H224 O18 -","4","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0693","0.0579","","","0.1849","0.1948","","","","","","1.56","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220437","12.8486","0.0018","12.8486","0.0018","12.6773","0.0018","90","","90","","90","","2092.9","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C47 H64 O5 -","- C47 H56 O5 -","- C94 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0907","0.066","","","0.1881","0.2109","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220438","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H48 O5 S4 -","- C84 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0962","0.0864","","","0.2301","0.2557","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220439","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H48 O5 S4 -","- C82 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1001","0.0955","","","0.2366","0.2559","","","","","","1.185","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220440","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43 H44 O5 S4 -","- C86 H88 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1063","0.098","","","0.242","0.263","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220441","23.3664","0.0003","23.3664","0.0003","23.3664","0.0003","90","","90","","90","","12757.8","0.3","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 O14 P2 Zn3 -","- C78 H48 O14 P2 Zn3 -","- C624 H384 O112 P16 Zn24 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0867","0.0703","","","0.2264","0.2576","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220442","23.7697","0.0004","23.7697","0.0004","23.7697","0.0004","90","","90","","90","","13429.8","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Cd3 O14 P2 -","- C78 H48 Cd3 O14 P2 -","- C624 H384 Cd24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1314","0.0967","","","0.2967","0.338","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220443","23.3991","0.0004","23.3991","0.0004","23.3991","0.0004","90","","90","","90","","12811.4","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Co3 O14 P2 -","- C78 H48 Co3 O14 P2 -","- C624 H384 Co24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1747","0.0892","","","0.27","0.325","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220444","23.5428","0.0002","23.5428","0.0002","23.5428","0.0002","90","","90","","90","","13048.9","0.19","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C39 H24 In O7 P -","- C39 H24 In O7 P -","- C624 H384 In16 O112 P16 -","16","0.333333","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0668","0.0578","","","0.1555","0.1702","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220448","10.264","0.001","10.674","0.001","17.308","0.001","92.084","0.001","103.251","0.001","103.06","0.001","1790.2","0.3","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-cobalt(ii)-di-tungsten(v))","","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0246","0.0229","","","0.0569","0.0581","","","","","","1.089","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220449","10.067","0.001","10.714","0.001","17.449","0.0003","93.286","0.001","104.191","0.001","102.986","0.001","1765.3","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-tungsten(v))","","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0358","0.0292","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220450","10.056","0.0003","10.697","0.0003","17.41","0.0005","93.364","0.002","104.168","0.002","102.945","0.002","1756.85","0.09","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-molybdenum(v))","","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","","0.71073","MoKα","","0.0432","0.032","","","0.0746","0.0801","","","","27.107","27.107","1.046","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220451","9.2862","0.0002","9.2862","0.0002","8.3796","0.0004","90","","90","","90","","722.6","0.04","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- Ca K4 O14 Si4 U -","- Ca K4 O14 Si4 U -","- Ca2 K8 O28 Si8 U2 -","2","0.25","","Morrison, Gregory; Smith, Mark D.; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Synthesis and structure of the new pentanary uranium(vi) silicate, K4CaUSi4O14, a member of a structural family related to fresnoite","CrystEngComm","2015","17","22","4218","","10.1039/C5CE00504C","","","0.71073","MoKα","","0.0321","0.027","","","0.0637","0.0664","","","","","","1.066","","","","has coordinates","138514","2020-10-21","18:00:00",""
"7220452","31.4206","0.0003","31.4206","0.0003","44.8239","0.0005","90","","90","","90","","44252.6","0.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C36 H18 Cu3 N9 O15 -","- C36 H18 Cu3 N9 O15 -","- C576 H288 Cu48 N144 O240 -","16","1","","Wang, Xiao-Jun; Li, Jian; Li, Qiu-Yan; Li, Pei-Zhou; Lu, Han; Lao, Qianying; Ni, Rui; Shi, Yanhui; Zhao, Yanli","A urea decorated (3,24)-connected rht-type metal‒organic framework exhibiting high gas uptake capability and catalytic activity","CrystEngComm","2015","17","25","4632","","10.1039/C5CE00625B","","","1.54184","CuKα","","0.0636","0.0554","","","0.1696","0.1772","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220474","28.406","0.002","15.1613","0.0011","19.2086","0.0016","90","","99.473","0.009","90","","8159.8","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Br8 Fe2 N8 O -","- C88 H48 Br8 Fe2 N8 O -","- C352 H192 Br32 Fe8 N32 O4 -","4","0.5","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","0.71073","MoKα","","0.1736","0.0808","","","0.1855","0.2229","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220475","14.2862","0.0011","15.307","0.003","19.102","0.003","90","","94.637","0.008","90","","4163.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H29.5 Br4 Cl Fe N4.75 O0.75 -","- C44 H24 Br4 Cl Fe N4 -","- C176 H96 Br16 Cl4 Fe4 N16 -","4","1","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","1.54178","CuKα","","0.024","0.0221","","","0.0541","0.0556","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220483","7.7237","0.0005","10.2576","0.0006","13.6801","0.0008","78.32","0.002","84.144","0.002","76.52","0.002","1030.43","0.11","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O4 S -","- C20 H22 I N O4 S -","- C40 H44 I2 N2 O8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0729","0.0637","","","0.1517","0.1615","","","","","","0.9894","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220484","7.4692","0.0004","15.9898","0.0009","18.4114","0.0011","110.533","0.002","91.966","0.002","94.712","0.002","2047.5","0.2","","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.5 S -","- C20 H22 I N O3.5 S -","- C80 H88 I4 N4 O14 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0612","0.0582","","","0.1366","0.1421","","","","","","1.0103","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220485","7.484","0.005","10.197","0.007","14.512","0.01","94.449","0.01","103.752","0.011","105.623","0.01","1024","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.4 S -","- C20 H22 I N O3.4 S -","- C40 H44 I2 N2 O6.8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0407","0.0319","","","0.074","0.0783","","","","","","1.0314","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220486","7.808","0.004","10.354","0.006","13.78","0.007","93.69","0.02","103.61","0.02","105.59","0.02","1033.2","1","","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 I2 N O7 S2 -","- C40 H44 I2 N2 O7 S2 -","- C40 H44 I2 N2 O7 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","1.54178","CuKα","","0.1565","0.0871","","","0.1902","0.228","","","","","","1.1164","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220487","7.564","0.004","10.338","0.005","14.496","0.007","93.619","0.005","104.077","0.005","105.686","0.005","1048.4","0.9","","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 I N O3.5 S -","- C20 H16 I N O3.5 S -","- C40 H32 I2 N2 O7 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0797","0.0696","","","0.1629","0.1682","","","","","","1.0319","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220499","16.3977","0.0007","3.8099","0.0001","45.645","0.002","90","","90","","90","","2851.61","0.19","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Kavuru, Padmini; Grebinoski, Stephanie J.; Patel, Mitulkumar A.; Wojtas, Lukasz; Chadwick, Keith","Polymorphism of vanillin revisited: the discovery and selective crystallization of a rare crystal structure","CrystEngComm","2016","18","7","1118","","10.1039/C5CE00568J","","","1.54178","CuKα","","0.0465","0.0387","","","0.0887","0.0925","","","","","","1.028","","","","has coordinates","177738","2020-10-21","18:00:00",""
"7220504","8.7922","0.0006","14.9186","0.0008","13.4193","0.001","90","","120.13","0.005","90","","1522.35","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cu N2 O5 -","- C15 H11 Cu N2 O5 -","- C60 H44 Cu4 N8 O20 -","4","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0411","0.0372","","","0.0897","0.0922","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220505","26.424","0.014","9.529","0.004","19.889","0.011","90","","124.468","0.008","90","","4129","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H17 Cu2 N2 O8.5 -","- C20.5 H15.5 Cu2 N2 O8.5 -","- C164 H124 Cu16 N16 O68 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0421","0.035","","","0.0876","0.0922","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220506","13.5914","0.0006","12.6315","0.0007","18.4809","0.0009","90","","90","","90","","3172.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H29 Cu N6 O9 -","- C29 H23 Cu N6 O9 -","- C116 H92 Cu4 N24 O36 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0598","0.0561","","","0.1504","0.154","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220507","23.182","0.011","12.61","0.005","17.333","0.008","90","","130.001","0.007","90","","3881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cu2 N4 O12 -","- C34 H34 Cu2 N4 O12 -","- C136 H136 Cu8 N16 O48 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0335","0.0304","","","0.0812","0.0826","","","","","","1.058","","","","has coordinates","143369","2020-10-21","18:00:00",""
"7220508","12.725","0.005","18.008","0.008","13.521","0.006","90","","90","","90","","3098","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H15.5 Cu0.5 N2.5 O3 -","- C16 H12.5 Cu0.5 N2.5 O3 -","- C128 H100 Cu4 N20 O24 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0599","0.0483","","","0.1104","0.1191","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220509","7.751","0.002","12.916","0.003","14.603","0.004","83.875","0.006","88.192","0.007","74.126","0.006","1398.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N4 O7.5 -","- C25 H24 Cu N4 O7.5 -","- C50 H48 Cu2 N8 O15 -","2","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0876","0.0596","","","0.1708","0.192","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220510","20.9247","0.0095","20.9247","0.0095","6.4","","90","","90","","120","","2426.8","1.6","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H45 Cu3 N9 O5 -","- C33 H21 Cu3 N6 O4 -","- C66 H42 Cu6 N12 O8 -","2","0.0833333","","Tăbăcaru, Aurel; Galli, Simona; Pettinari, Claudio; Masciocchi, Norberto; McDonald, Thomas M.; Long, Jeffrey R.","Nickel(ii) and copper(i,ii)-based metal-organic frameworks incorporating an extended tris-pyrazolate linker","CrystEngComm","2015","17","27","4992","","10.1039/C5CE00561B","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","143422","2020-10-21","18:00:00",""
"7220511","12.499","0.003","15.4","0.004","17.164","0.004","79.589","0.003","74.873","0.003","81.892","0.003","3121.4","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methyl-pryogallol[4]arene with rhodamine B","","","- C65 H82 N2 O20 -","- C65 H82 N2 O20 -","- C130 H164 N4 O40 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0938","0.0519","","","0.1128","0.1326","","","","","","1.026","","","","has coordinates","143408","2020-10-21","18:00:00",""
"7220512","12.6309","0.0014","15.1204","0.0017","16.9812","0.0019","80.807","0.001","75.354","0.001","79.911","0.001","3066.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with rhodamine B","","","- C66 H80 N2 O18 -","- C66 H80 N2 O18 -","- C132 H160 N4 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0814","0.0583","","","0.1574","0.1774","","","","","","1.037","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220513","12.4659","0.0007","15.6276","0.0008","17.6068","0.0009","69.247","0.002","75.581","0.003","78.539","0.003","3083.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with rhodamine B","","","- C68 H86 N2 O19 -","- C68 H82 N2 O19 -","- C136 H164 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.0665","0.0581","","","0.1597","0.1697","","","","","","1.031","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220514","33.748","0.004","12.5218","0.0013","31.831","0.003","90","","102.816","0.001","90","","13116","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C71 H90.25 N2 O18.5 -","- C71 H86.25 N2 O18.5 -","- C568 H690 N16 O148 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0805","0.0578","","","0.1577","0.1742","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220515","12.407","0.003","15.969","0.003","18.498","0.004","79.532","0.003","71.722","0.003","80.076","0.003","3395.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene","","","- C72 H94 N2 O19 -","- C72 H94 N2 O19 -","- C144 H188 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1579","0.0834","","","0.2403","0.3073","","","","","","1.046","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220516","33.339","0.011","12.549","0.004","31.947","0.011","90","","105.02","0.005","90","","12909","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C69 H84.5 N2.5 O17.5 -","- C69 H79.5 N2.5 O17.5 -","- C552 H636 N20 O140 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.127","0.0839","","","0.2358","0.2875","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220517","40.0943","0.0008","17.9485","0.0004","31.3076","0.0008","90","","90","","90","","22530","0.9","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","C-methylpyrogallol[4]arene with pyronin Y","","","- C50.35 H68.5 N1.5 O21.85 -","- C50.25 H61.5 N1.5 O21.75 -","- C804 H984 N24 O348 -","16","","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.1373","0.1235","","","0.4038","0.4302","","","","","","2.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220518","14.103","0.002","14.457","0.002","15.357","0.003","63.031","0.002","69.038","0.002","84.764","0.002","2596.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with pyronin Y","","","- C55 H65 Cl2 N2 O14 -","- C55 H65 Cl2 N2 O14 -","- C110 H130 Cl4 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1358","0.0921","","","0.2178","0.2498","","","","","","1.036","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220519","14.3619","0.0004","24.7111","0.0006","15.9255","0.0004","90","","109.14","0.003","90","","5339.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H42.75 N2.25 O11 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.0761","0.0468","","","0.1034","0.1142","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220520","14.1639","0.0005","25.2402","0.0007","15.9077","0.0007","90","","111.043","0.004","90","","5307.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H40.75 N2.25 O10 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1176","0.0769","","","0.1806","0.2013","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220521","14.934","0.003","24.781","0.004","16.383","0.003","90","","109.435","0.004","90","","5717.5","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66.25 H47.75 N2.25 O11.25 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1129","0.1051","","","0.2715","0.2791","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220522","14.5426","0.0006","25.0252","0.0007","16.5912","0.0007","90","","109.841","0.005","90","","5679.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1297","0.099","","","0.2479","0.2645","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220523","14.7573","0.0007","24.3576","0.0007","17.9206","0.001","90","","117.685","0.003","90","","5704.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1221","0.0762","","","0.1942","0.2237","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220524","8.5607","0.001","14.1023","0.0017","20.294","0.002","88.5392","0.0017","86.4998","0.0015","81.2519","0.0016","2416.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Gd4 N6 O45 -","- C24 H42 Gd4 N6 O45 -","- C48 H84 Gd8 N12 O90 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.069","0.057","","","0.1455","0.1516","","","","","","1.056","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220525","8.5627","0.0015","14.078","0.003","20.297","0.004","88.568","0.003","86.325","0.004","81.382","0.003","2413.8","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 N6 O45 Tb4 -","- C24 H35 N6 O45 Tb4 -","- C48 H70 N12 O90 Tb8 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.2457","0.1347","","","0.2557","0.2983","","","","","","0.971","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220546","10.651","0.001","10.802","0.001","12.528","0.001","97.671","0.004","92.238","0.004","110.803","0.003","1329.5","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL5i(azpy)]","","","- C28 H26 Fe N6 O6 -","- C28 H26 Fe N6 O6 -","- C56 H52 Fe2 N12 O12 -","2","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0557","0.0356","","","0.0754","0.0801","","","","","","0.923","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220547","17.134","0.002","16.762","0.002","21.725","0.004","90","","90.206","0.015","90","","6239.4","1.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeL5b(azpy)].0,5azpy","","","- C33 H30 Fe N8 O4 -","- C33 H30 Fe N8 O4 -","- C264 H240 Fe8 N64 O32 -","8","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0815","0.0485","","","0.1019","0.111","","","","","","0.922","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220551","17.679","0.005","27.134","0.007","6.9113","0.0018","90","","94.222","0.008","90","","3306.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H44 Cd N4 O16 -","- C24 H43 Cd N4 O16 -","- C96 H172 Cd4 N16 O64 -","4","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0516","0.043","","","0.1306","0.1455","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220552","10.149","0.0005","10.2936","0.0005","13.6107","0.0007","104.922","0.004","109.154","0.005","95.153","0.004","1274.01","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","1","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0411","0.0373","","","0.0785","0.0801","","","","","","1.45","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220553","14.9067","0.0004","9.467","0.0003","18.6466","0.0005","90","","108.471","0.002","90","","2495.88","0.13","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O3 -","- C27 H33 Cl N2 O3 -","- C108 H132 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0559","0.0454","","","0.119","0.1249","","","","2","2","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220554","9.9394","0.0006","9.3964","0.0008","28.5819","0.0017","90","","98.318","0.005","90","","2641.3","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N O4 -","- C28 H38 Cl N O4 -","- C112 H152 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0578","0.0447","","","0.1158","0.1246","","","","1.62","1.62","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220555","13.654","0.002","9.739","0.0014","18.621","0.002","90","","106.609","0.012","90","","2372.8","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl N O4 -","- C26 H34 Cl N O4 -","- C104 H136 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0553","0.0467","","","0.12","0.1259","","","","1.91","1.91","1.8","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220556","9.9289","0.0003","9.429","0.0003","26.8357","0.001","90","","97.556","0.003","90","","2490.53","0.14","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N2 O5 -","- C26 H33 Cl N2 O5 -","- C104 H132 Cl4 N8 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0587","0.0506","","","0.1305","0.1368","","","","1.93","1.93","1.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220557","15.1562","0.0007","9.536","0.0003","18.8677","0.0008","90","","109.782","0.004","90","","2566.02","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O3 -","- C28 H35 Cl N2 O3 -","- C112 H140 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0488","0.0416","","","0.1108","0.1158","","","","1.92","1.92","1.83","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220558","39.7859","0.0005","6.9575","0.0001","17.1898","0.0004","90","","100.099","0.0014","90","","4684.6","0.14","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl N O4.5 -","- C25 H33 Cl N O4.5 -","- C200 H264 Cl8 N8 O36 -","8","2","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0511","0.0457","","","0.1199","0.1254","","","","1.97","1.97","1.91","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7220559","19.1988","0.0007","13.1107","0.0003","9.5387","0.0003","90","","98.175","0.003","90","","2376.59","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N O5 -","- C25 H34 Cl N O5 -","- C100 H136 Cl4 N4 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0409","0.0362","","","0.0958","0.0988","","","","1.62","1.62","1.56","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220560","14.2221","0.0011","5.7852","0.0005","7.3262","0.0006","90","","114.168","0.002","90","","549.95","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mo O5 Pb2 -","- Mo O5 Pb2 -","- Mo4 O20 Pb8 -","4","0.5","","Atuchin, V. V.; Ivannikova, N. V.; Komonov, A. I.; Kuratieva, N. V.; Loshkarev, I. D.; Pervukhina, N. V.; Pokrovsky, L. D.; Shlegel, V. N.","The low thermal gradient Czochralski crystal growth and microstructural properties of a Pb2MoO5(20−1) cleaved surface","CrystEngComm","2015","17","24","4512","","10.1039/C5CE00309A","","","0.71073","MoKα","","0.0358","0.0336","","","0.0834","0.0851","","","","","","1.036","","","","has coordinates","143398","2020-10-21","18:00:00",""
"7220561","4.8695","0.0004","5.7118","0.0003","5.4416","0.0004","90","","117.468","0.006","90","","134.289","0.018","298","","298","","4.275","0.015","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.409","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220562","5.0092","0.0006","5.9924","0.0006","5.4976","0.0005","90","","115.298","0.01","90","","149.2","0.03","298","","298","","0.547","0.016","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.106","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220563","8.7022","0.0003","8.952","0.0003","12.6698","0.0006","106.807","0.004","90.983","0.003","110.054","0.002","880.1","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","1","0.5","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.71073","MoKα","","0.047","0.0342","","","0.0812","0.0871","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220564","6.234","0.0012","11.118","0.002","11.948","0.002","86.78","0.03","79.95","0.03","83.01","0.03","808.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cu2 O15 -","- C8 H10 Cu2 O15 -","- C16 H20 Cu4 O30 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.7383","","","0.0719","0.0615","","","0.1767","0.1912","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220565","7.9815","0.0005","14.4504","0.0006","10.2757","0.0006","90","","90","","90","","1185.16","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H2 Cu O6 -","- C4 H2 Cu O6 -","- C32 H16 Cu8 O48 -","8","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.54184","CuKα","","0.0692","0.0571","","","0.145","0.1578","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220566","18.6107","0.0005","18.6107","0.0005","4.8022","0.0003","90","","90","","90","","1663.28","0.12","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H20 Cu2 O16 -","- C8 H20 Cu2 O16 -","- C32 H80 Cu8 O64 -","4","0.25","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0314","0.0299","","","0.0788","0.0805","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220567","8.0007","0.0008","11.0476","0.0009","14.0408","0.0011","110.768","0.008","96.37","0.008","97.671","0.007","1133.12","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Cu4 O21 -","- C16 H8 Cu4 O21 -","- C32 H16 Cu8 O42 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0614","0.0498","","","0.1359","0.149","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220568","25.786","0.005","21.045","0.004","7.4123","0.0015","90","","90","","90","","4022.4","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.5 H25.5 Cd2 Cl N9.5 O8.5 -","- C27 H18 Cd2 Cl N9 O6 -","- C108 H72 Cd8 Cl4 N36 O24 -","4","0.5","","Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia","A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties","CrystEngComm","2015","17","26","4787","","10.1039/C5CE00405E","","","0.71073","MoKα","","0.0643","0.0523","","","0.1243","0.1287","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220594","16.269","0.002","20.73","0.003","14.9828","0.0019","90","","90","","90","","5053","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H11 Cu N3 O5 -","- C17 H11 Cu N3 O5 -","- C136 H88 Cu8 N24 O40 -","8","1","","Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing","A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity","CrystEngComm","2015","17","26","4793","","10.1039/C5CE00612K","","","0.71073","MoKα","","0.0738","0.0471","","","0.112","0.1189","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220595","16.337","0.003","11.925","0.002","14.007","0.003","90","","100.84","0.03","90","","2680.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 O9 S Zn -","- C6 H8 N6 O9 S Zn -","- C48 H64 N48 O72 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0489","0.0376","","","0.0782","0.083","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220596","6.6953","0.0013","8.7758","0.0018","10.028","0.002","64.41","0.03","76.36","0.03","82.37","0.03","516.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N5 O5 S Zn0.5 -","- C6 H6 N5 O5 S Zn0.5 -","- C12 H12 N10 O10 S2 Zn -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0221","0.0217","","","0.056","0.0564","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220597","6.7656","0.0006","8.7886","0.0007","10.0635","0.0008","64.603","0.005","76.394","0.005","82.581","0.005","525.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co0.5 N5 O5 S -","- C6 H6 Co0.5 N5 O5 S -","- C12 H12 Co N10 O10 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0528","0.0338","","","0.0642","0.0701","","","","","","0.937","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220598","13.8786","0.0008","13.6808","0.0006","16.6792","0.0011","90","","112.229","0.003","90","","2931.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cu0.5 N5 O6 S -","- C9 H12 Cu0.5 N5 O6 S -","- C72 H96 Cu4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0456","0.0385","","","0.0992","0.1066","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220599","10.269","0.002","15.04","0.003","15.004","0.003","90","","100.71","0.03","90","","2276.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Mn0.5 N5 O6 S -","- C6 H8 Mn0.5 N5 O6 S -","- C48 H64 Mn4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.063","0.0597","","","0.1867","0.1906","","","","","","1.09","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220600","10.184","0.002","16.442","0.003","14.923","0.003","90","","99.55","0.03","90","","2464.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl Co0.5 N4 O7 S -","- C6 H8 Cl Co0.5 N4 O7 S -","- C48 H64 Cl8 Co4 N32 O56 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.086","0.0537","","","0.1016","0.1122","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220601","9.6762","0.0005","23.2403","0.0015","16.8723","0.0011","90","","101.63","0.004","90","","3716.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N4 O11 S Zn -","- C11 H13 Cl N4 O11 S Zn -","- C88 H104 Cl8 N32 O88 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.048","0.0322","","","0.0873","0.0964","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220602","6.6171","0.0004","10.0019","0.0006","10.9248","0.0007","64.702","0.003","80.817","0.004","88.608","0.004","644.54","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cd N10 O2 S -","- C6 H6 Cd N10 O2 S -","- C12 H12 Cd2 N20 O4 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0239","0.0226","","","0.0613","0.0625","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220603","9.3444","0.0019","17.647","0.004","7.356","0.0015","90","","90","","90","","1213","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 Mn0.5 N5 O S0.5 -","- C3 H3 Mn0.5 N5 O S0.5 -","- C24 H24 Mn4 N40 O8 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.026","0.023","","","0.0565","0.0576","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220604","17.052","0.003","10.831","0.002","12.777","0.003","90","","119.06","0.03","90","","2062.7","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl0 N4 Ni0.5 O4 S1.5 -","- C6 H6 N4 Ni0.5 O4 S1.5 -","- C48 H48 N32 Ni4 O32 S12 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0562","0.0389","","","0.0847","0.0904","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220605","18.592","0.004","8.3621","0.0017","19.857","0.004","90","","100.14","0.03","90","","3038.9","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Cd N2 O8 S0.5 -","- C13 H9 Cd N2 O8 S0.5 -","- C104 H72 Cd8 N16 O64 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0543","0.039","","","0.0804","0.0858","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220606","10.906","0.003","14.095","0.003","14.294","0.003","90","","105.16","0.012","90","","2120.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Ni5 S10 -","- C10 H20 Ni5 S10 -","- C40 H80 Ni20 S40 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0656","0.0413","","","0.0713","0.0792","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220607","10.7","0.008","14.844","0.01","15.567","0.01","66.82","0.06","75.32","0.06","72.64","0.06","2143","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1673","0.0821","","","0.1361","0.164","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220608","15.028","0.017","23.16","0.02","13.417","0.014","90","","90","","90","","4670","8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H60 Ni6 S12 -","- C28 H60 Ni6 S12 -","- C112 H240 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.103","0.0754","","","0.1878","0.21","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220609","11.621","0.002","12.8025","0.0018","14.234","0.002","90","","103.641","0.01","90","","2058","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Ni6 S12 -","- C32 H36 Ni6 S12 -","- C64 H72 Ni12 S24 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0816","0.0547","","","0.1374","0.1659","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220610","11.997","0.007","14.36","0.009","26.228","0.016","90","","90","","90","","4518","5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H44 Ni6 S12 -","- C36 H44 Ni6 S12 -","- C144 H176 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1122","0.0697","","","0.1708","0.1998","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220611","17.0393","0.0006","17.8176","0.0006","20.2468","0.0007","112.788","0.003","97.045","0.003","90.308","0.003","5614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N8 Nd3 O19.5 -","- C46.5 H58 N8 Nd3 O19 -","- C186 H232 N32 Nd12 O76 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1129","0.0875","","","0.2228","0.2401","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220612","16.8042","0.0007","17.6752","0.0006","19.4071","0.0011","69.39","0.004","82.993","0.004","89.895","0.003","5349.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 N8 O18.5 Tb3 -","- C44 H47 N8 O16 Tb3 -","- C176 H188 N32 O64 Tb12 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1396","0.0884","","","0.2148","0.2518","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220613","16.7829","0.0007","17.6513","0.0006","19.3643","0.0011","69.388","0.004","83.013","0.004","89.894","0.003","5324.2","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 Dy3 N8 O18.5 -","- C44 H47 Dy3 N8 O16 -","- C176 H188 Dy12 N32 O64 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1218","0.0772","","","0.195","0.2272","","","","","","0.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220614","9.4831","0.0004","10.3029","0.0004","12.9928","0.0005","86.142","0.003","87.7","0.003","76.628","0.003","1231.83","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 Nd O9 S -","- C18 H23 N6 Nd O9 S -","- C36 H46 N12 Nd2 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0285","0.0238","","","0.0523","0.0551","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220615","9.4373","0.0005","10.2862","0.0006","12.9039","0.0006","85.73","0.004","88.061","0.004","76.723","0.005","1215.59","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 O9 S Tb -","- C18 H23 N6 O9 S Tb -","- C36 H46 N12 O18 S2 Tb2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0345","0.0281","","","0.0542","0.0572","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220616","9.421","0.002","10.2707","0.0017","12.909","0.002","85.595","0.014","87.715","0.016","76.894","0.016","1212.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Dy N6 O9 S -","- C18 H23 Dy N6 O9 S -","- C36 H46 Dy2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0386","0.035","","","0.0868","0.0901","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220617","9.3532","0.0007","10.1772","0.0004","12.8201","0.0005","85.678","0.003","87.922","0.004","76.71","0.005","1184.05","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Er N6 O9 S -","- C18 H23 Er N6 O9 S -","- C36 H46 Er2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0265","0.0239","","","0.0541","0.0556","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220618","18.114","0.0003","15.7015","0.0002","22.3234","0.0003","90","","97.683","0.002","90","","6292.16","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H28 Cl Dy N8 O6.5 -","- C30.5 H28 Cl Dy N8 O6.5 -","- C244 H224 Cl8 Dy8 N64 O52 -","8","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0553","0.037","","","0.0744","0.0826","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220620","29.139","0.018","8.292","0.006","22.798","0.015","90","","94.97","0.011","90","","5488","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N3 O7 Zn -","- C28 H23 N3 O7 Zn -","- C224 H184 N24 O56 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.0936","0.0527","","","0.127","0.1458","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220621","9.3089","0.0006","50.079","0.003","14.5655","0.0009","90","","107.953","0.001","90","","6459.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H54 N10 O9 Zn2 -","- C76 H54 N10 O9 Zn2 -","- C304 H216 N40 O36 Zn8 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1526","0.061","","","0.1374","0.1802","","","","","","1.038","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220622","21.485","0.005","18.709","0.004","21.225","0.004","90","","118.707","0.004","90","","7483","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 N6 O17 Zn2 -","- C66 H54 N6 O17 Zn2 -","- C264 H216 N24 O68 Zn8 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.182","0.0781","","","0.2116","0.2716","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220623","14.3887","0.0018","15.538","0.002","17.003","0.002","87.718","0.003","65.714","0.002","76.845","0.003","3367.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 N10 O12 Zn2 -","- C76 H54 N10 O12 Zn2 -","- C152 H108 N20 O24 Zn4 -","2","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.2109","0.0798","","","0.1798","0.2577","","","","","","0.964","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220624","14.2642","0.0017","42.291","0.005","9.6129","0.0011","90","","90","","90","","5799","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C136 H98 N10 O28 Zn5 -","- C136 H98 N10 O28 Zn5 -","- C272 H196 N20 O56 Zn10 -","2","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1478","0.0849","","","0.2249","0.2709","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220625","10.6126","0.0014","13.057","0.0016","18.873","0.002","77.782","0.002","81.567","0.002","73.826","0.002","2444.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 N16 O13 Zn2 -","- C92 H84 N16 O14 Zn2 -","- C92 H84 N16 O14 Zn2 -","1","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.137","0.0766","","","0.2134","0.2394","","","","","","1.019","","","","has coordinates,has disorder","153115","2020-10-21","18:00:00",""
"7220626","28.327","0.004","6.0289","0.0008","29.409","0.004","90","","107.892","0.003","90","","4779.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 N4 O10 Zn -","- C58 H42 N4 O10 Zn -","- C232 H168 N16 O40 Zn4 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1328","0.0554","","","0.1234","0.1666","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220627","16.668","0.006","16.256","0.006","28.596","0.01","90","","90","","90","","7748","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 N5 O4 Zn -","- C30 H26 N5 O4 Zn -","- C240 H208 N40 O32 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.17","0.0611","","","0.1328","0.1617","","","","","","0.84","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220628","14.7273","0.0016","34.677","0.004","8.2504","0.0009","90","","104.498","0.002","90","","4079.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N7 O6 Zn -","- C44 H36 N7 O6 Zn -","- C176 H144 N28 O24 Zn4 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.165","0.1139","","","0.297","0.325","","","","","","1.119","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220629","12.671","0.0008","12.671","0.0008","13.1674","0.0009","90","","90","","90","","2114.1","0.2","","","295","","","","","","","","","7","P -4 2 c","P -4 2c","112","Ge-BEC as synthesized","","","- C22 H60.4 F0.4 Ge5.1 N6 O66 Si26.9 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","1","0.125","","Smeets, S.; Koch, L.; Mascello, N.; Sesseg, J.; McCusker, L. B.; Hernández-Rodríguez, M.; Mitchell, S.; Pérez-Ramírez, J.","Structure analysis of a BEC-type germanosilicate zeolite including the location of the flexible organic cations in the channels","CrystEngComm","2015","17","26","4865","","10.1039/C5CE00731C","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220630","10.2375","0.0009","4.5168","0.0005","14.7924","0.0013","90","","107.394","0.008","90","","652.73","0.11","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Harscoat-Schiavo, C.; Neurohr, C.; Lecomte, S.; Marchivie, M.; Subra-Paternault, P.","Influence of isomerism on recrystallization and cocrystallization induced by CO2as an antisolvent","CrystEngComm","2015","17","29","5410","","10.1039/C5CE00753D","","","1.54187","CuKα","","0.102","0.0699","","","0.1718","0.23","","","","","","1.016","","","","has coordinates","153118","2020-10-21","18:00:00",""
"7220631","6.5122","0.0006","27.61","0.02","14.0669","0.0013","90","","102.55","0.009","90","","2468.8","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2578","0.1192","","","0.3185","0.4008","","","","","","1.187","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220632","6.4776","0.0007","27.51","0.03","14.0381","0.0015","90","","102.456","0.01","90","","2443","3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2476","0.1177","","","0.317","0.3922","","","","","","1.197","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220633","6.5011","0.001","27.23","0.02","13.949","0.002","90","","102.615","0.015","90","","2409.7","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2814","0.1163","","","0.2809","0.3944","","","","","","1.01","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220634","6.538","0.003","26.99","0.14","13.93","0.005","90","","102.68","0.04","90","","2398","13","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H9.67 N2 -","- C9 H9.66667 N2 -","- C108 H116 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2291","0.0883","","","0.2049","0.2909","","","","","","1.011","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220635","6.487","0.002","26.63","0.12","13.831","0.004","90","","102.5","0.03","90","","2333","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1776","0.073","","","0.1559","0.2103","","","","","","1.043","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220636","7.5684","0.001","12.432","0.002","34.803","0.004","90","","90","","90","","3274.6","0.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Xcalibur","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1719","0.0772","","","0.1504","0.1999","","","","","","1.077","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220637","7.2661","0.0015","12.407","0.008","34.55","0.005","90","","90","","90","","3115","2","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1586","0.0848","","","0.2067","0.2753","","","","","","1.027","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220638","7.173","0.003","12.383","0.005","34.439","0.004","90","","90","","90","","3059","1.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.56087","AgKα","","0.2145","0.0933","","","0.2169","0.2891","","","","","","1.014","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220639","7.04","0.002","12.334","0.004","34.323","0.003","90","","90","","90","","2980.3","1.3","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.129","0.0696","","","0.1817","0.2223","","","","","","1.029","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220640","6.9376","0.0016","12.228","0.003","34.174","0.002","90","","90","","90","","2899.1","1","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1104","0.0698","","","0.1839","0.2223","","","","","","1.086","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220641","12.8185","0.001","14.0656","0.0011","11.5956","0.0009","90","","112.133","0.001","90","","1936.6","0.3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1beta","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0611","0.0485","","","0.1391","0.153","","","","","","1.06","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220642","12.388","0.003","5.0693","0.0011","15.112","0.003","90","","94.269","0.003","90","","946.4","0.4","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1aplha","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0825","0.053","","","0.134","0.1595","","","","","","1.013","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220659","8.2953","0.0002","10.6258","0.0005","12.4574","0.0004","83.389","0.006","81.479","0.003","84.419","0.004","1075.11","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0786","0.0371","","","0.0791","0.1087","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220660","8.02","0.0005","14.212","0.0006","14.6203","0.0007","104.84","0.003","97.235","0.003","93.608","0.005","1590.12","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0977","0.0531","","","0.11","0.1341","","","","","","1.072","","","","has coordinates,has disorder","153121","2020-10-21","18:00:00",""
"7220661","10.5149","0.0011","12.0894","0.0012","29.347","0.003","90","","92.74","0.008","90","","3726.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 Cu2 F8 Hg2 N6 O2 -","- C26 H32 Cu2 Hg2 N6 O2 -","- C104 H128 Cu8 Hg8 N24 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.243","0.0564","","","0.1156","0.1723","","","","","","0.629","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220662","14.6075","0.0013","8.1508","0.0012","15.9817","0.001","90","","94.662","0.007","90","","1896.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Hg N2 O2 -","- C22 H18 Hg N2 O2 -","- C88 H72 Hg4 N8 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1268","0.0593","","","0.0889","0.1134","","","","","","0.923","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220663","19.15","0.004","10.919","0.002","14.603","0.003","90","","90","","90","","3053.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Hg N2 O3 -","- C16 H14 Hg N2 O3 -","- C128 H112 Hg8 N16 O24 -","8","2","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.105","0.0505","","","0.095","0.1148","","","","","","1.036","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220664","26.22","0.005","9.0815","0.0018","10.654","0.002","90","","90","","90","","2536.9","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Hg2 N4 O3 -","- C26 H22 Hg2 N4 O3 -","- C104 H88 Hg8 N16 O12 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1178","0.0518","","","0.0836","0.1043","","","","","","0.867","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220675","9.6476","0.0006","10.2117","0.0007","16.4488","0.0011","107.366","0.001","95.221","0.001","99.914","0.001","1505.97","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Fe2 N5 O10 -","- C33 H21 Fe2 N5 O10 -","- C66 H42 Fe4 N10 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.037","0.0331","","","0.0931","0.0959","","","","","","1.043","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220676","7.6476","0.0005","12.1053","0.0007","16.8248","0.001","90","","98.488","0.002","90","","1540.52","0.16","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C33 H21 Cu N5 O10 -","- C33 H21 Cu N5 O10 -","- C66 H42 Cu2 N10 O20 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0911","0.0645","","","0.1411","0.1531","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220677","24.5299","0.0012","12.3443","0.0006","31.5597","0.0015","90","","100.337","0.001","90","","9401.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 Co3 N18 O24 -","- C90 H64 Co3 N18 O24 -","- C360 H256 Co12 N72 O96 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0682","0.0549","","","0.1671","0.1804","","","","","","1.107","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220678","10.898","0.002","12.605","0.003","28.807","0.006","90","","96.326","0.004","90","","3933.1","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Co2 N9 O9 -","- C45 H31 Co2 N9 O9 -","- C180 H124 Co8 N36 O36 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0628","0.0412","","","0.104","0.1243","","","","","","1.084","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220679","17.6549","0.0009","16.6017","0.0007","19.0614","0.0009","90","","112.771","0.002","90","","5151.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H47 Mn2 N13 O12 -","- C57 H47 Mn2 N13 O12 -","- C228 H188 Mn8 N52 O48 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0457","0.0367","","","0.0859","0.091","","","","","","1.045","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220680","8.886","0.002","18.133","0.004","13.793","0.003","90","","106.672","0.004","90","","2129","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 S2 Zn -","- C18 H19 N5 S2 Zn -","- C72 H76 N20 S8 Zn4 -","4","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.1072","0.0871","","","0.239","0.2597","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220681","9.1391","0.0005","9.3535","0.0006","22.769","0.001","97.837","0.002","91.624","0.002","96.775","0.002","1912.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N9 O0.5 Zn -","- C16 H19 N9 O0.5 Zn -","- C64 H76 N36 O2 Zn4 -","4","2","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0493","0.0349","","","0.093","0.1004","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220682","10.5195","0.0006","12.7921","0.0007","13.6828","0.0008","62.887","0.002","68.064","0.002","87.976","0.003","1499.82","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cl N5 Ni O5 S -","- C29 H28 Cl N5 Ni O5 S -","- C58 H56 Cl2 N10 Ni2 O10 S2 -","2","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0803","0.0466","","","0.1188","0.1401","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220683","7.1589","0.0012","10.1414","0.0012","12.8984","0.0016","67.555","0.012","73.912","0.013","78.022","0.012","826.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl2 Cu N2 O6 -","- C16 H12 Cl2 Cu N2 O6 -","- C32 H24 Cl4 Cu2 N4 O12 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.1121","0.089","","","0.2181","0.2511","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220684","7.8516","0.0002","9.3769","0.0002","11.8132","0.0003","97.965","0.001","108.633","0.001","111.107","0.001","736.53","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl Cu N5 O -","- C16 H10 Cl Cu N5 O -","- C32 H20 Cl2 Cu2 N10 O2 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0261","0.024","","","0.0649","0.0662","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220685","18.2712","0.0004","10.8166","0.0004","18.3726","0.0006","90","","110.64","0.002","90","","3397.96","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C144 H136 Cl8 Cu8 N16 O24 -","8","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0292","0.0252","","","0.0692","0.0719","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220691","6.155","0.0019","7.64","0.0018","23.508","0.007","96.36","0.03","91.92","0.03","94.01","0.03","1095","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(4-butyloxyacetophenon)azine","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio","A topotactic transition in a liquid crystal compound","CrystEngComm","2015","17","46","8864","","10.1039/C5CE00660K","","x-ray","0.71069","MoKα","","0.1056","0.0629","","","0.1608","0.1905","","","","","","1.026","","","","has coordinates,has disorder","173746","2020-10-21","18:00:00",""
"7220694","9.4289","0.0005","9.4465","0.0005","19.5338","0.001","77.352","0.003","86.44","0.003","64.489","0.002","1531.11","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0919","0.0832","","","0.2114","0.2159","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220695","10.1025","0.0002","12.953","0.0003","21.3753","0.0004","104.286","0.001","99.437","0.001","102.3","0.001","2578.22","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0703","0.0556","","","0.153","0.165","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220696","8.6147","0.0006","16.5484","0.0012","9.3691","0.0007","90","","93.617","0.001","90","","1332.99","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0573","0.041","","","0.1037","0.1604","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220697","11.5527","0.0012","26.816","0.003","15.4979","0.0016","90","","109.134","0.002","90","","4536","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cd pyim2 PF6","","","- C34 H46 Cd F12 N14 O4 P2 -","- C34 H46 Cd F12 N14 O4 P2 -","- C136 H184 Cd4 F48 N56 O16 P8 -","4","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0735","0.0513","","","0.121","0.158","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220698","9.979","0.005","10.302","0.005","15.743","0.005","80.924","0.005","73.374","0.005","65.235","0.005","1406.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Zn-pyim2 td","","","- C22 H18 F12 N10 P2 Zn -","- C22 H18 F12 N10 P2 Zn -","- C44 H36 F24 N20 P4 Zn2 -","2","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71069","MoKα","","0.0582","0.0423","","","0.0925","0.1368","","","","","","1.168","","","","has coordinates","173737","2020-10-21","18:00:00",""
"7220699","11.915","0.003","8.1768","0.0018","15.913","0.004","90","","106.617","0.004","90","","1485.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Cd pyim2 PF6 NO3","","","- C22 H26 Cd F6 N11 O7 P -","- C22 H26 Cd F6 N11 O7 P -","- C44 H52 Cd2 F12 N22 O14 P2 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0476","0.0365","","","0.0833","0.1151","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220726","22.103","0.003","19.932","0.003","15.101","0.002","90","","130.848","0.002","90","","5032.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N6 O22 S4 Zn -","- C42 H48 N6 O22 S4 Zn -","- C168 H192 N24 O88 S16 Zn4 -","4","0.5","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1685","0.089","","","0.2462","0.3006","","","","","","1.017","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7220727","8.2928","0.0016","11.423","0.002","12.436","0.002","101.262","0.002","103.547","0.002","96.798","0.002","1106.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cd N3 O8 S2 -","- C21 H17 Cd N3 O8 S2 -","- C42 H34 Cd2 N6 O16 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0436","0.0364","","","0.0837","0.0883","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220728","36.038","0.012","19.963","0.007","8.853","0.003","90","","95.622","0.006","90","","6338","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H73 Ag N3 O36 S2 -","- C21 H13 Ag N3 O9 S2 -","- C168 H104 Ag8 N24 O72 S16 -","8","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.2738","0.1036","","","0.2613","0.3455","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220729","7.38","0.005","20.931","0.013","16.474","0.009","90","","110.8","0.02","90","","2379","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag N3 O10 S2 -","- C21 H16 Ag N3 O10 S2 -","- C84 H64 Ag4 N12 O40 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1779","0.087","","","0.1999","0.2569","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220730","8.538","0.003","10.962","0.005","12.083","0.005","87.664","0.007","85.159","0.008","81.961","0.008","1115.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Ag2 N3 O6 S2 -","- C21 H13 Ag2 N3 O6 S2 -","- C42 H26 Ag4 N6 O12 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1042","0.0638","","","0.168","0.2","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220731","10.8904","0.0007","12.8137","0.0009","17.386","0.0011","105.159","0.001","94.273","0.001","94.113","0.001","2324.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Ag4 N6 O17 S4 -","- C42 H36 Ag4 N6 O17 S4 -","- C84 H72 Ag8 N12 O34 S8 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0878","0.0595","","","0.1697","0.2007","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220732","8.352","0.0011","11.7428","0.0016","12.3408","0.0016","100.67","0.002","101.093","0.002","97.04","0.002","1151.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 N3 O8 Pb S2 -","- C21 H17 N3 O8 Pb S2 -","- C42 H34 N6 O16 Pb2 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0314","0.0281","","","0.0677","0.0689","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220733","13.784","0.003","14.323","0.003","13.791","0.003","90","","91.018","0.004","90","","2722.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O12 Pb S2 -","- C21 H25 N3 O12 Pb S2 -","- C84 H100 N12 O48 Pb4 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.109","0.0493","","","0.1019","0.1219","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220734","13.77","0.002","13.77","0.002","59.621","0.009","90","","90","","90","","11305","3","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C21 H19 K N4 O12 Pb S2 -","- C21 H13 K N4 O12 Pb S2 -","- C336 H208 K16 N64 O192 Pb16 S32 -","16","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1494","0.0801","","","0.2108","0.2468","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220745","9.874","0.0001","13.6348","0.0001","19.5627","0.0002","90","","91.566","0.0005","90","","2632.74","0.04","153","","153","","","","","","","","dichloromethane","3","P 1 21/c 1","-P 2ybc","14","","octadehydrotribenzo[14]annulene","","- C34 H20 O8 -","- C34 H20 O8 -","- C136 H80 O32 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","0.8","synchrotron","","0.049","0.0486","","","0.1341","0.1345","","","","","","1.051","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220746","21.2337","0.0004","7.9464","0.00014","25.6281","0.0005","90","","90","","90","","4324.27","0.14","153","","153","","","","","","","","ethyl acetate","3","P n a 21","P 2c -2n","33","","octadehydrotribenzo[14]annulene","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","2","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","1.54187","CuKα","","0.1475","0.0771","","","0.1756","0.2489","","","","","","1.078","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220753","13.157","0.0013","4.9083","0.0004","16.1242","0.0016","90","","113.135","0.003","90","","957.54","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.0723","0.0455","","","0.0932","0.1027","","","","","","0.996","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220754","13.076","0.006","4.887","0.002","18.998","0.009","90","","106.417","0.011","90","","1164.5","0.9","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C52 H58 N2 O12 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.1548","0.1269","","","0.3191","0.3389","","","","","","1.141","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220755","18.64","0.016","5.992","0.005","18.841","0.015","90","","98.834","0.016","90","","2079","3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.6889","","","0.0389","0.037","","","0.0886","0.0907","","","","","","1.106","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220756","11.5165","0.0009","33.108","0.003","15.349","0.0014","90","","103.074","0.006","90","","5700.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H35 N O5 Zn -","- C55 H35 N O5 Zn -","- C220 H140 N4 O20 Zn4 -","4","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.0816","0.0747","","0.1986","0.1941","0.1986","","","","","","0.9929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220757","17.128","0.008","35.003","0.016","11.62","0.005","90","","119.498","0.006","90","","6064","5","90","","90","","","","","","","","synthesized","4","C 1 2/m 1","-C 2y","12","","","","- C26 H15 O2.5 Zn0.5 -","- C26 H15 O2.5 Zn0.5 -","- C208 H120 O20 Zn4 -","8","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","0.71073","MoKα","","0.1135","0.0904","","0.2537","0.2208","0.2537","","","","","","0.9876","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220758","17.2471","0.0019","18.932","0.003","21.34","0.002","88.588","0.01","73.431","0.007","66.759","0.008","6106.1","1.4","90","","90","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H71 N4 O12 Zn2.5 -","- C117 H71 N4 O12 Zn2.5 -","- C234 H142 N8 O24 Zn5 -","2","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.2095","0.1673","","0.3903","0.3658","0.3903","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220763","8.697","0.006","25.05","0.017","11.638","0.008","90","","104.01","0.01","90","","2460","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl2 Cu4 N4 O30 -","- C32 H26 Cl2 Cu4 N4 O30 -","- C64 H52 Cl4 Cu8 N8 O60 -","2","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0466","0.0378","","","0.1074","0.1118","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220764","12.0276","0.0011","5.2148","0.0004","17.8366","0.0016","90","","91.773","0.001","90","","1118.2","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Ag2(L)(NO3)]-(H2O)","","- C8 H8 Ag2 N2 O8 -","- C8 H8 Ag2 N2 O8 -","- C32 H32 Ag8 N8 O32 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0404","0.0388","","","0.099","0.1005","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220765","4.5139","0.0003","11.3181","0.0007","20.4554","0.0014","90","","90","","90","","1045.04","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C32 H24 N8 O28 Pb4 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0363","0.0327","","","0.0739","0.0762","","","","","","0.953","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220766","24.044","0.003","10.7102","0.0014","16.138","0.002","90","","110.264","0.002","90","","3898.6","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br2 N4 O18 Pb3 -","- C32 H28 Br2 N4 O18 Pb3 -","- C128 H112 Br8 N16 O72 Pb12 -","4","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0735","0.0658","","","0.2075","0.2161","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220767","10.5744","0.0005","39.183","0.003","9.2768","0.0005","90","","90","","90","","3843.7","0.4","108","2","108","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N3 O13 Pr -","- C16 H16 N3 O13 Pr -","- C128 H128 N24 O104 Pr8 -","8","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.026","0.0249","","","0.0617","0.0626","","","","","","1.095","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220795","12.7448","0.001","12.7563","0.0009","16.1414","0.0012","78.129","0.001","74.374","0.001","83.622","0.001","2468.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H80 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0613","0.0522","","","0.1337","0.1393","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220796","12.7304","0.0005","13.0108","0.0005","15.9909","0.0006","75.315","0.001","74.399","0.001","76.075","0.001","2425.05","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0923","0.0942","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220797","12.7569","0.0012","13.068","0.0012","16.02","0.0015","75.273","0.001","74.405","0.001","75.971","0.001","2444","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Dy2 Fe4 H92 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0566","0.0503","","","0.1271","0.1312","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220798","12.7131","0.0016","12.9743","0.0017","15.96","0.002","75.09","0.002","74.312","0.002","75.818","0.002","2405.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0522","0.0432","","","0.1106","0.1157","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220799","12.7178","0.0005","13.005","0.0005","15.9829","0.0006","75.204","0.001","74.375","0.001","75.946","0.001","2418","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0599","0.0549","","","0.145","0.1493","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220800","22.5048","0.0015","13.6765","0.0009","30.833","0.002","90","","97.187","0.001","90","","9415.4","1.1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C120 H240 Cu4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0716","0.0438","","","0.0906","0.1091","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220801","22.585","0.012","13.697","0.007","30.282","0.015","90","","97.645","0.008","90","","9284","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C120 H240 Fe4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71","MoKα","","0.0769","0.0514","","","0.087","0.1096","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220802","22.948","0.012","13.853","0.007","30.672","0.015","90","","97.682","0.008","90","","9663","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C120 H264 Mo72 N48 O328 P24 Sr4 Zn4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0653","0.046","","","0.0959","0.1109","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220803","22.648","0.007","13.534","0.004","30.225","0.009","90","","97.733","0.005","90","","9180","5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C120 H264 Mo72 N48 Ni4 O328 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0652","0.0514","","","0.101","0.092","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220804","23.293","0.016","14.056","0.01","31.34","0.02","90","","97.651","0.012","90","","10170","12","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C120 H248 Co4 Mo72 N48 O320 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.051","0.0386","","","0.0898","0.0953","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220808","7.9698","0.0004","9.7137","0.0005","10.377","0.0005","116.863","0.001","107.286","0.001","95.696","0.001","658.07","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0275","0.0259","","","0.0664","0.0674","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220809","7.9987","0.0006","9.813","0.0006","10.4856","0.0006","116.667","0.004","107.471","0.004","95.656","0.004","674.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 Nd O9 -","- C9 H13 N4 Nd O9 -","- C18 H26 N8 Nd2 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0282","0.0273","","","0.0701","0.0707","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220810","7.9812","0.0003","9.7491","0.0004","10.4153","0.0004","116.803","0.001","107.37","0.001","95.67","0.001","663.93","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0225","0.021","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220811","7.9849","0.0016","9.783","0.002","10.443","0.002","116.75","0.03","107.36","0.03","95.71","0.03","668.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 O9 Sm -","- C9 H13 N4 O9 Sm -","- C18 H26 N8 O18 Sm2 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0365","0.0341","","","0.0768","0.0774","","","","","","1.572","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220812","7.9767","0.0005","9.7325","0.0005","10.3966","0.0006","116.821","0.001","107.333","0.001","95.669","0.001","661.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Gd N4 O9 -","- C9 H13 Gd N4 O9 -","- C18 H26 Gd2 N8 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0295","0.0284","","","0.0746","0.0754","","","","","","1.038","","","","has coordinates","153111","2020-10-21","18:00:00",""
"7220813","20.8197","0.0013","20.8197","0.0013","11.5581","0.0015","90","","90","","120","","4338.8","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H5 Cd N9 O -","- C4 H5 Cd N9 O -","- C72 H90 Cd18 N162 O18 -","18","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0257","0.0247","","","0.0782","0.0789","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220814","9.8747","0.0008","6.7895","0.0006","17.9044","0.0015","90","","101.958","0.001","90","","1174.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cd2 N13 O -","- C6 H7 Cd2 N13 O -","- C24 H28 Cd8 N52 O4 -","4","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.063","0.0488","","","0.1028","0.1183","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220815","30.095","0.005","30.095","0.005","6.7707","0.0011","90","","90","","120","","5310.7","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20 N24 O7 Zn6 -","- C18 H19.98 N24 O7 Zn6 -","- C108 H119.88 N144 O42 Zn36 -","6","0.333333","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0546","0.0363","","","0.0872","0.0945","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220816","17.501","0.003","33.436","0.006","7.1042","0.0012","90","","90","","90","","4157.1","1.2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C2.57 H7 Cd2 N4 O7.43 S -","- C2.57 H7 Cd2 N4 O7.43 S -","- C41.12 H112 Cd32 N64 O118.88 S16 -","16","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0262","0.0239","","","0.0554","0.0572","","","","","","1.058","","","","has coordinates,has disorder","153096","2020-10-21","18:00:00",""
"7220817","25.319","0.005","14.309","0.003","7.0137","0.0014","90","","96.379","0.003","90","","2525.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N10 O8 Zn3 -","- C18 H12 N10 O8 Zn3 -","- C72 H48 N40 O32 Zn12 -","4","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0447","0.0326","","","0.0691","0.073","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220818","7.3781","0.0013","13.574","0.002","13.578","0.002","113.181","0.002","103.841","0.002","90.952","0.002","1204.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23.65 Cd9 N30 O21.83 -","- C18 H23.656 Cd9 N30 O21.828 -","- C18 H23.656 Cd9 N30 O21.828 -","1","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0467","0.0346","","","0.0764","0.0844","","","","","","1.035","","","","has coordinates","153096","2020-10-21","18:00:00",""
"7220819","16.852","0.002","17.116","0.002","9.7103","0.0014","90","","118.683","0.002","90","","2457.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N5 O3 Zn -","- C8 H9 N5 O3 Zn -","- C64 H72 N40 O24 Zn8 -","8","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0506","0.0453","","","0.1552","0.1601","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220820","15.023","0.002","10.1643","0.0013","18.196","0.003","90","","114.233","0.002","90","","2533.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O11 Zn2 -","- C20 H22 N2 O11 Zn2 -","- C80 H88 N8 O44 Zn8 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0403","0.0319","","","0.0731","0.0788","","","","","","1.048","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220821","5.8438","0.0013","12.088","0.003","15.288","0.003","90","","99.975","0.005","90","","1063.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 N O5 Zn -","- C10 H10 N O5 Zn -","- C40 H40 N4 O20 Zn4 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0482","0.0363","","","0.0837","0.0922","","","","","","1.103","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220822","12.956","0.002","9.8991","0.001","16.96","0.002","90","","109.75","0.002","90","","2047.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 N2 Ni O8 -","- C16 H22 N2 Ni O8 -","- C64 H88 N8 Ni4 O32 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0422","0.033","","","0.0812","0.0879","","","","","","1.058","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220823","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220824","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220825","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220826","6.046","0.003","6.82","0.003","9.086","0.004","83.37","0.007","81.332","0.007","68.356","0.006","343.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.024","0.0236","","","0.0626","0.0632","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220827","22.145","0.007","5.6942","0.0018","11.621","0.004","90","","98.19","0.006","90","","1450.4","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C24 H32 Fe4 N40 O8 S8 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0313","0.0292","","","0.0734","0.0747","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220828","7.3937","0.0008","8.198","0.0009","12.7674","0.0014","76.242","0.002","74.662","0.002","86.512","0.002","724.9","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Br Fe0.5 N12 O3 -","- C6 H12 Br Fe0.5 N12 O3 -","- C12 H24 Br2 Fe N24 O6 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0389","0.0338","","","0.0867","0.0896","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220829","12.2481","0.0013","5.6785","0.0006","17.9506","0.0018","90","","106.572","0.002","90","","1196.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N10 S2 Zn -","- C6 H4 N10 S2 Zn -","- C24 H16 N40 S8 Zn4 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0208","0.0201","","","0.0503","0.0511","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220830","7.4935","0.0006","7.8714","0.0006","12.2388","0.001","72.325","0.001","83.164","0.001","82.913","0.001","680.02","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 N10 O0.5 S2 Zn -","- C6 H4 N10 O0.5 S2 Zn -","- C12 H8 N20 O S4 Zn2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0339","0.0304","","","0.0772","0.0791","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220831","7.94","0.004","8.039","0.004","12.89","0.007","100.729","0.007","107.661","0.007","91.364","0.008","767.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.1114","0.0763","","","0.1919","0.2141","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220832","8.2723","0.0012","20.345","0.003","8.6343","0.0011","90","","92.36","0.002","90","","1451.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B2 Cu F8 N24 O2 -","- C12 H16 B2 Cu F8 N24 O2 -","- C24 H32 B4 Cu2 F16 N48 O4 -","2","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.034","0.0304","","","0.0744","0.0764","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220847","22.777","0.005","25.033","0.005","25.074","0.005","119.76","0.03","93.5","0.03","92.99","0.03","12332","6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H72 Cu6 O42 -","- C108 H72 Cu6 O42 -","- C216 H144 Cu12 O84 -","2","1","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.1253","0.0975","","","0.2626","0.2959","","","","","","1.038","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220848","12.079","0.002","12.382","0.003","12.568","0.003","99.99","0.03","96","0.03","91.29","0.03","1839.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","1","0.5","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.131","0.0967","","","0.2757","0.3012","","","","","","1.055","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220862","35.022","0.003","10.764","0.001","20.158","0.002","90","","90","","90","","7599.1","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42.5 H35 Dy N3 O11 -","- C42.5 H35 Dy N3 O11 -","- C340 H280 Dy8 N24 O88 -","8","1","","Hui, Yan-Chun; Meng, Yin-Shan; Li, Zongsheng; Chen, Qi; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Construction and theoretical study of a new Dy-β-diketone chain featuring slow magnetic relaxation","CrystEngComm","2015","17","30","5620","","10.1039/C5CE00971E","","","0.71073","MoKα","","0.0459","0.0301","","","0.0553","0.0599","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220863","13.858","0.002","4.3834","0.0007","11.1513","0.0017","90","","98.584","0.002","90","","669.8","0.18","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0257","0.0215","","","0.0539","0.0551","","","","","","1.057","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220864","13.8531","0.0019","4.3928","0.0006","11.1633","0.0015","90","","98.597","0.002","90","","671.7","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0269","0.0217","","","0.0538","0.0553","","","","","","1.061","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220865","13.891","0.002","4.4024","0.0007","11.1676","0.0017","90","","98.719","0.002","90","","675.05","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0318","0.0245","","","0.0601","0.0623","","","","","","1.052","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220866","13.936","0.002","4.4112","0.0007","11.1717","0.0016","90","","98.84","0.002","90","","678.62","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.037","0.027","","","0.0633","0.066","","","","","","1.081","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220867","13.9822","0.0018","4.4209","0.0006","11.1785","0.0014","90","","98.951","0.002","90","","682.57","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0425","0.0283","","","0.0668","0.0714","","","","","","1.055","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220868","14.0179","0.0018","4.4297","0.0006","11.1892","0.0014","90","","99.047","0.002","90","","686.15","0.15","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0488","0.0299","","","0.0703","0.0759","","","","","","1.036","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220869","14.051","0.002","4.4406","0.0006","11.2041","0.0016","90","","99.129","0.002","90","","690.22","0.17","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.054","0.0312","","","0.0722","0.0797","","","","","","1.023","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220870","14.0837","0.0018","4.4538","0.0006","11.2236","0.0014","90","","99.2049","0.0018","90","","694.95","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0689","0.0391","","","0.0837","0.0963","","","","","","1.032","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220871","14.105","0.003","4.4657","0.001","11.245","0.002","90","","99.262","0.003","90","","699.1","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0753","0.035","","","0.0767","0.0877","","","","","","1.008","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220872","14.129","0.005","4.4805","0.0014","11.264","0.004","90","","99.369","0.005","90","","703.6","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.07","0.0323","","","0.0822","0.0944","","","","","","1.001","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220873","12.9324","0.0011","4.4704","0.0004","11.5909","0.001","90","","102.592","0.001","90","","653.99","0.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0296","0.0274","","","0.0729","0.075","","","","","","1.065","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220874","12.9484","0.0015","4.4854","0.0005","11.6092","0.0013","90","","102.545","0.0014","90","","658.15","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0348","0.0291","","","0.0748","0.0777","","","","","","1.046","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220875","12.9648","0.0011","4.5026","0.0004","11.6333","0.001","90","","102.499","0.001","90","","663","0.1","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0388","0.0323","","","0.0848","0.0902","","","","","","1.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220876","12.9974","0.0015","4.516","0.0005","11.6594","0.0013","90","","102.481","0.002","90","","668.19","0.13","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0481","0.0336","","","0.0822","0.0894","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220877","13.032","0.0011","4.5311","0.0004","11.6944","0.001","90","","102.483","0.001","90","","674.22","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0575","0.0384","","","0.0951","0.1091","","","","","","1.079","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220878","13.061","0.003","4.5482","0.0009","11.736","0.002","90","","102.463","0.003","90","","680.7","0.2","340","2","340","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0742","0.0389","","","0.0957","0.1116","","","","","","0.973","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220879","13.097","0.004","4.5652","0.0015","11.779","0.004","90","","102.471","0.005","90","","687.7","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0799","0.0453","","","0.1066","0.1272","","","","","","1.101","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220880","8.273","0.0009","10.2826","0.0012","15.1195","0.0017","96.759","0.002","101.61","0.002","105.668","0.002","1192.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.0351","0.0254","","","0.0658","0.0691","","","","","","1.021","","","","has coordinates","171065","2020-10-21","18:00:00",""
"7220881","15.4","0.0006","17.393","0.0007","17.586","0.0007","99.683","0.001","101.239","0.001","106.964","0.001","4290","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H106 Cu2 N24 O102 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.1017","0.0912","","","0.2039","0.2081","","","","","","1.197","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220882","10.8767","0.0019","12.698","0.002","14.373","0.003","113.644","0.003","92.071","0.004","114.579","0.003","1603.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.1241","0.0846","","","0.2429","0.2761","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220883","11.1118","0.0008","11.7101","0.0008","12.1289","0.0008","71.891","0.001","69.772","0.001","75.032","0.001","1387.26","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H51 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.0669","0.0405","","","0.0855","0.0955","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220884","12.476","0.004","12.003","0.004","17.582","0.005","90","","94.066","0.004","90","","2626.3","1.4","298","2","298.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H20 Ag4 N12 O40 Si W12 -","- C16 H20 Ag4 N12 O40 Si W12 -","- C32 H40 Ag8 N24 O80 Si2 W24 -","2","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Mei, Kai; Lin, Shu-Jie; Wang, Xing-Po; Sun, Di","A novel silver(i)-Keggin-polyoxometalate inorganic‒organic hybrid: a Lewis acid catalyst for cyanosilylation reaction","CrystEngComm","2015","17","31","5947","","10.1039/C5CE00953G","","","0.71073","MoKα","","0.0579","0.0561","","","0.1464","0.1487","","","","","","0.959","","","","has coordinates","153112","2020-10-21","18:00:00",""
"7220896","14.45","0.005","4.956","0.005","26.73","0.005","90","","96.301","0.005","90","","1903","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 S -","- C19 H20 N4 O2 S -","- C76 H80 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0925","0.0666","","","0.1823","0.2181","","","","","","1.04","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220897","14.858","0.0005","4.854","0.0001","26.819","0.0008","90","","90.237","0.001","90","","1934.19","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IPHAT 2","5-(4-chlorobenzoyl)-4-isopropylidenehydrazino-2-phenylaminothiazole","","- C19 H19 Cl N4 O2 S -","- C19 H19 Cl N4 O2 S -","- C76 H76 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0428","","","0.1098","0.1233","","","","","","1.025","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220898","9.6388","0.0003","16.1889","0.0004","14.8442","0.0005","90","","91.076","0.001","90","","2315.9","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-MeOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C24 H21 Cl N4 O2 S -","- C24 H21 Cl N4 O2 S -","- C96 H84 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0421","0.0348","","","0.0899","0.098","","","","","","1.037","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220899","9.672","0.0002","16.4163","0.0003","15.216","0.0003","90","","90.805","0.001","90","","2415.73","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-EtOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C25 H23 Cl N4 O2 S -","- C25 H23 Cl N4 O2 S -","- C100 H92 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0439","","","0.1136","0.1296","","","","","","1.043","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220900","11.987","0.016","12.649","0.016","14.39","0.02","102.66","0.03","106.82","0.02","93.196","0.012","2021","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CyHAT","5-benzoyl-4-cyclohexylidenehydrazino-2-phenylaminothiazole","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C88 H88 N16 O4 S4 -","4","2","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.178","0.0651","","","0.1079","0.1437","","","","","","0.605","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220901","6.7596","0.0004","14.2927","0.0006","16.0445","0.0007","90","","90","","90","","1550.11","0.13","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-NO2-SP-HCl","4-nitrostyrylpyridinium chloride","","- C13 H17 Cl N2 O5 -","- C13 H13 Cl N2 O5 -","- C52 H52 Cl4 N8 O20 -","4","1","","Yamada, Shinji; Sako, Nodoka; Yamada, Kazuhiko; Deguchi, Kenzo; Shimizu, Tadashi","Porous organic hydrate crystals: structure and dynamic behaviour of water clusters","CrystEngComm","2015","17","30","5629","","10.1039/C4CE02517B","","","1.54187","CuKα","","0.126","0.0911","","","0.2306","0.2706","","","","","","1.036","","","","has coordinates","153101","2020-10-21","18:00:00",""
"7220902","10.4529","0.0001","16.105","0.0002","7.25488","0.0001","90","","112.369","0.001","90","","1129.41","0.02","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C48 H40 N16 O12 -","4","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0419","0.0352","","","0.0927","0.1054","","","","","","1.111","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220903","7.02478","0.00013","16.0194","0.0003","21.5034","0.0004","90","","90","","90","","2419.84","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C96 H96 N32 O32 -","8","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0457","0.0422","","","0.1138","0.1168","","","","","","0.815","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220910","9.4974","0.0009","17.4158","0.0016","25.769","0.002","80.532","0.005","84.709","0.004","89.933","0.004","4185.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","L","","- C28 H22 N6 -","- C28 H22.005 N6 -","- C224 H176.04 N48 -","8","4","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1799","0.1044","","","0.2681","0.3286","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220911","51.246","0.003","4.7708","0.0002","17.4723","0.0008","90","","99.207","0.003","90","","4216.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C56 H43 N12 Ni -","- C56 H43 N12 Ni -","- C224 H172 N48 Ni4 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1468","0.0924","","","0.2334","0.2703","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220912","51.241","0.003","4.7974","0.0003","17.4614","0.001","90","","99.137","0.004","90","","4238","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2","","- C56 H40 Co2 N12 -","- C56 H40 Co2 N12 -","- C224 H160 Co8 N48 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1484","0.0555","","","0.1128","0.1563","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220913","8.9584","0.0002","14.6692","0.0004","19.0677","0.0005","90","","117.742","0.002","90","","2217.71","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C112 H80 Co4 N24 -","4","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.0737","0.0448","","","0.0935","0.1028","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220914","25.9109","0.001","18.3337","0.0007","14.7137","0.0005","90","","90","","90","","6989.6","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4","","- C37.5 H29 N6.5 O6 Zn -","- C37.5 H29 N6.5 O6 Zn -","- C300 H232 N52 O48 Zn8 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.2049","0.0994","","","0.2115","0.2613","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220915","19.8884","0.0013","33.434","0.002","26.1619","0.0017","90","","105.04","0.002","90","","16800.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5","","- C84 H58 Co3 N12 O8 -","- C84 H58 Co3 N12 O8 -","- C672 H464 Co24 N96 O64 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1209","0.0714","","","0.2094","0.2292","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220916","29.935","0.004","29.935","0.004","11.194","0.002","90","","90","","120","","8687","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H15 N3 O6 Zn -","- C17 H15 N3 O6 Zn -","- C306 H270 N54 O108 Zn18 -","18","1","","Yang, Linyan; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Fu, Xin; Gu, Wen; Liu, Xin","Serrated single-wall metal‒organic nanotubes (SWMONTs) for benzene adsorption","CrystEngComm","2015","17","30","5625","","10.1039/C5CE00911A","","","0.71073","MoKα","","0.079","0.07","","","0.1907","0.1981","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220928","19.7623","0.0013","21.3747","0.0014","8.369","0.0005","90","","112.171","0.005","90","","3273.8","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H16 N6 O4 Zn -","- C23 H16 N6 O4 Zn -","- C92 H64 N24 O16 Zn4 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.0774","0.0549","","","0.1073","0.1176","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220929","19.499","0.003","19.499","0.003","10.738","0.002","90","","90","","120","","3535.7","1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.148","0.1078","","","0.305","0.3403","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220930","13.9914","0.0002","20.2561","0.0004","23.3703","0.0005","90","","90","","90","","6623.4","0.2","293","2","293","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C60 H40 N12 O12 Zn3 -","- C60 H43 N12 O12 Zn3 -","- C240 H172 N48 O48 Zn12 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","1.54184","CuKα","","0.1478","0.0895","","","0.2142","0.2794","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220931","7.715","0.0012","8.258","0.0013","9.594","0.0016","115.02","0.005","92.541","0.005","90.02","0.005","553.21","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.067","0.0442","","","0.0886","0.0965","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220932","15.354","0.004","9.78","0.002","16.2709","0.0014","90","","104.57","0.04","90","","2364.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cu0.5 N5 O3 -","- C11 H8 Cu0.5 N5 O3 -","- C88 H64 Cu4 N40 O24 -","8","1","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.0728","0.0389","","","0.0832","0.098","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220933","15.101","0.006","9.635","0.003","16.508","0.008","90","","103.54","0.06","90","","2335.1","1.7","294","2","294","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N10 O6 -","- C22 H16 Co N10 O6 -","- C88 H64 Co4 N40 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.089","0.0451","","","0.0939","0.1055","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220934","15.327","0.008","9.623","0.006","16.459","0.008","90","","104.47","0.04","90","","2351","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N10 Ni O6 -","- C22 H16 N10 Ni O6 -","- C88 H64 N40 Ni4 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.2903","0.0925","","","0.0895","0.1299","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220935","7.0438","0.0007","7.8981","0.0007","12.0293","0.0011","81.397","0.003","89.396","0.003","67.424","0.003","610.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.0486","0.0389","","","0.1092","0.1157","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220936","3.98","0.002","13.759","0.007","15.461","0.008","90","","90.994","0.008","90","","846.5","0.7","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0719","0.0528","","","0.1541","0.178","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220937","3.9618","0.0019","13.745","0.007","15.47","0.008","90","","91.089","0.006","90","","842.3","0.7","283","2","283","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.07","0.0429","","","0.1089","0.1241","","","","","","0.883","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220938","3.957","0.002","13.735","0.007","15.454","0.008","90","","91.156","0.008","90","","839.7","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0756","0.0454","","","0.1237","0.1522","","","","","","0.887","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220939","3.9291","0.0018","13.739","0.006","15.443","0.007","90","","94.454","0.007","90","","831.1","0.6","261","2","261","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0707","0.0438","","","0.1078","0.1216","","","","","","0.919","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220940","3.908","0.002","13.78","0.01","15.42","0.01","90","","95.31","0.006","90","","826.8","0.9","236","2","236","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0711","0.0446","","","0.1147","0.1255","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220941","3.8968","0.0018","13.781","0.007","15.419","0.007","90","","95.382","0.006","90","","824.4","0.7","226","2","226","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0653","0.045","","","0.1247","0.1396","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220942","3.88","0.002","13.786","0.007","15.404","0.009","90","","95.639","0.007","90","","820","0.8","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0615","0.0417","","","0.1074","0.1172","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220943","3.876","0.0018","13.791","0.006","15.388","0.007","90","","95.882","0.006","90","","818.2","0.6","198","","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0576","0.0384","","","0.0947","0.1026","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220944","3.8537","0.0015","13.804","0.005","15.381","0.006","90","","96.164","0.006","90","","813.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0554","0.0404","","","0.1064","0.1155","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220945","3.8278","0.0018","13.813","0.006","15.364","0.008","90","","96.512","0.007","90","","807.1","0.7","128","","128","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0457","0.0347","","","0.0856","0.0902","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220946","3.8139","0.001","13.823","0.004","15.349","0.004","90","","96.777","0.004","90","","803.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0402","0.0331","","","0.0882","0.0915","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220947","8.593","0.002","12.641","0.003","15.263","0.004","90","","97.065","0.004","90","","1645.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0587","0.0354","","","0.067","0.0729","","","","","","0.879","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220948","8.608","0.002","12.658","0.003","15.282","0.004","90","","97.022","0.003","90","","1652.6","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0565","0.0405","","","0.0911","0.0985","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220949","8.623","0.004","12.646","0.005","15.305","0.006","90","","97.145","0.005","90","","1656","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0625","0.0448","","","0.0972","0.1054","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220950","8.665","0.003","12.666","0.004","15.316","0.005","90","","97.277","0.003","90","","1667.4","1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0692","0.0482","","","0.1049","0.115","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220951","8.691","0.003","12.673","0.004","15.336","0.005","90","","97.417","0.004","90","","1675","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0749","0.0503","","","0.1096","0.121","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220952","8.721","0.003","12.675","0.004","15.366","0.005","90","","97.58","0.004","90","","1683.7","1","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0837","0.0524","","","0.1096","0.1239","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220953","8.767","0.003","12.675","0.004","15.411","0.005","90","","97.912","0.005","90","","1696.2","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0985","0.0578","","","0.1265","0.1466","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220954","8.794","0.003","12.678","0.003","15.437","0.005","90","","98.052","0.004","90","","1704.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.1067","0.0594","","","0.1274","0.1483","","","","","","1.093","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220955","7.6803","0.0013","18.549","0.004","11.229","0.003","90","","92.711","0.015","90","","1597.9","0.6","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.065","","","","0.1694","","","","","","1.089","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220956","23.613","0.005","5.9425","0.001","22.998","0.005","90","","102.411","0.008","90","","3151.7","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0497","","","","0.1392","","","","","","1.052","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220957","4.832","0.008","26.06","0.04","12.243","0.015","90","","91.4","0.08","90","","1541","4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C76 H72 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0754","","","","0.2182","","","","","","1.005","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220958","46.128","0.012","6.2135","0.0014","20.163","0.005","90","","100.884","0.019","90","","5675","2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 -","- C34 H28 N6 -","- C272 H224 N48 -","8","1","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0744","","","","0.1771","","","","","","0.932","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220959","23.947","0.007","6.9011","0.0013","23.64","0.008","90","","104.564","0.011","90","","3781.2","1.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N6 -","- C50 H36 N6 -","- C200 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0619","","","","0.1712","","","","","","1.015","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220962","39.356","0.013","9.332","0.003","9.842","0.003","90","","101.864","0.004","90","","3537","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N6 O10 Zn2 -","- C24 H34 N6 O10 Zn2 -","- C96 H136 N24 O40 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0604","0.0554","","","0.1687","0.1747","","","","","","1.096","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220963","38.503","0.005","9.4511","0.0012","9.8023","0.0013","90","","100.578","0.002","90","","3506.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N8 O8 Zn2 -","- C22 H20 N8 O7.9998 Zn2 -","- C88 H80 N32 O31.9992 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0952","0.0618","","","0.2065","0.2442","","","","","","1.122","","","","has coordinates,has disorder","153106","2020-10-21","18:00:00",""
"7220964","38.028","0.01","9.647","0.003","9.871","0.003","90","","97.49","0.005","90","","3590.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N6 O8 Zn2 -","- C20 H22 N6 O8 Zn2 -","- C80 H88 N24 O32 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.1091","0.0845","","","0.2533","0.2759","","","","","","1.152","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220965","14.2707","0.0005","11.9131","0.0004","18.9905","0.0006","90","","90","","90","","3228.54","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O10 Zn -","- C15 H17 N O10 Zn -","- C120 H136 N8 O80 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0662","0.0399","","","0.0789","0.0869","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220966","7.4952","0.0002","17.417","0.0005","21.7353","0.0005","90","","90","","90","","2837.41","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O7 Zn -","- C15 H11 N O7 Zn -","- C120 H88 N8 O56 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0391","0.0314","","","0.0715","0.0746","","","","","","1.026","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220967","11.722","0.0004","15.365","0.0005","12.7229","0.001","90","","119.424","0.004","90","","1995.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Zn -","- C20 H17 N2 O8 Zn -","- C80 H68 N8 O32 Zn4 -","4","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0648","0.0463","","","0.107","0.1185","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220968","17.0363","0.0004","7.7794","0.0002","20.1494","0.0005","90","","90","","90","","2670.44","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br0 Cd N O7 -","- C15 H11 Cd N O7 -","- C120 H88 Cd8 N8 O56 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0407","0.0304","","","0.0683","0.072","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220969","8.6985","0.0004","9.4824","0.0006","17.7549","0.001","80.703","0.005","77.485","0.005","65.302","0.005","1294.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O8 -","- C25 H27 Cd N5 O8 -","- C50 H54 Cd2 N10 O16 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0484","0.0374","","","0.073","0.0764","","","","","","1.031","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220970","10.1493","0.0005","11.1061","0.0007","12.8644","0.0006","109.643","0.005","101.237","0.004","94.591","0.005","1322.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N3 O12 -","- C25 H29 Cu N3 O12 -","- C50 H58 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0734","0.0497","","","0.1017","0.1095","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220971","10.0801","0.0003","10.821","0.0005","13.4386","0.0006","95.194","0.004","92.144","0.003","92.391","0.003","1457.3","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cu N3 O12 -","- C27 H31 Cu N3 O12 -","- C54 H62 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.1","0.0892","","","0.2601","0.2718","","","","","","1.058","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220972","38.012","0.007","38.012","0.007","29.603","0.012","90","","90","","120","","37043","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","0.5","","Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He","A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks","CrystEngComm","2015","17","31","5884","","10.1039/C5CE01047K","","","0.71073","MoKα","","0.0898","0.0627","","","0.1647","0.1831","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221019","13.1304","0.0007","16.5224","0.0009","19.2845","0.001","83.67","0.003","82.84","0.003","70.242","0.003","3896.3","0.4","123","","123","","","","","","","","J.M.Klein","5","P -1","-P 1","2","","","","- C82 H85 Cd2 N13 O16 -","- C82 H85 Cd2 N13 O16 -","- C164 H170 Cd4 N26 O32 -","2","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.0586","0.054","","0.1228","0.1212","0.1228","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221020","15.0312","0.0009","25.4508","0.0011","21.7048","0.0012","90","","92.051","0.004","90","","8298","0.8","123","","123","","","","","","","","M.Klein","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 Cd2 Cl9 N13 O15 -","- C72 H63 Cd2 N13 O15 -","- C288 H252 Cd8 N52 O60 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1228","0.0814","","0.2753","0.2242","0.2753","","","","","","0.9871","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221021","17.336","0.003","17.302","0.003","18.817","0.003","90","","97.458","0.007","90","","5596.4","1.6","123","","123","","","","","","","","Max Klein","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cd N8 O10 -","- C58 H66 Cd N8 O10 -","- C232 H264 Cd4 N32 O40 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.1359","0.0986","","0.3369","0.2752","0.3369","","","","","","0.9707","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221022","25.945","0.006","24.578","0.005","17.527","0.003","90","","91.069","0.009","90","","11175","4","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H103 Cd2 Cl9 N16 O16 -","- C105 H101 Cd2 Cl3 N16 O16 -","- C420 H404 Cd8 Cl12 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1419","0.134","","0.3513","0.3465","0.3513","","","","","","1.0024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221023","25.2624","0.0012","25.0809","0.0011","16.7959","0.0008","90","","92.522","0.003","90","","10631.6","0.9","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 Cd2 Cl3 N16 O17 -","- C108 H108 Cd2 N16 O16 -","- C432 H432 Cd8 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1279","0.1026","","0.3071","0.2838","0.3071","","","","","","0.9905","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221050","7.6279","0.0009","10.6208","0.0013","20.927","0.003","76.939","0.006","80.725","0.006","72.021","0.006","1563.2","0.4","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H37 Fe N5 O5 -","- C33 H37 Fe N5 O5 -","- C66 H74 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.1025","0.0883","","","0.204","0.2142","","","","","","1.124","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221051","7.5843","0.0006","10.6128","0.001","21.007","0.002","76.045","0.003","80.991","0.002","71.463","0.002","1549.9","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Fe N5 O5 -","- C33 H39 Fe N5 O5 -","- C66 H78 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.085","0.0649","","","0.1448","0.1583","","","","","","1.028","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221052","20.6387","0.001","20.6387","0.001","20.6387","0.001","90","","90","","90","","8791.2","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","1","0.0416667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0261","0.0197","","","0.0487","0.0525","","","","","","1.073","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221053","20.496","0.007","20.496","0.007","20.496","0.007","90","","90","","90","","8610","5","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd Cl K N O -","- C3.87097 H2.32258 Cd0.387097 Cl0.0645161 K0.0645161 N3.09677 O0.774194 -","- C240 H144 Cd24 Cl4 K4 N192 O48 -","62","2.58333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0599","0.0379","","","0.0859","0.0948","","","","","","0.961","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221054","20.554","0.0009","20.554","0.0009","20.554","0.0009","90","","90","","90","","8683.4","0.7","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Br Cd6 N48 Na O12 -","- C60 H36 Br Cd6 N48 Na O12 -","- C240 H144 Br4 Cd24 N192 Na4 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0289","0.0196","","","0.0483","0.0536","","","","","","0.995","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221055","20.5415","0.0007","20.5415","0.0007","20.5415","0.0007","90","","90","","90","","8667.6","0.5","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H18 Cd3 Cl0.5 N24 Na0.5 O6 -","- C120 H72 Cd12 Cl2 N96 Na2 O24 -","- C240 H144 Cd24 Cl4 N192 Na4 O48 -","2","0.0833333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0311","0.0278","","","0.0635","0.0651","","","","","","1.185","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221056","20.6279","0.0005","20.6279","0.0005","20.6279","0.0005","90","","90","","90","","8777.4","0.4","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C20 H12 Cd2 I0.33 N16 Na0.33 O4 -","- C20 H12 Cd2 I0.333333 N16 Na0.333333 O4 -","- C240 H144 Cd24 I4 N192 Na4 O48 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0263","0.0206","","","0.0495","0.0525","","","","","","1.094","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221057","20.6298","0.0003","20.6298","0.0003","20.6298","0.0003","90","","90","","90","","8779.8","0.2","298","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 Cl N48 O12 Rb -","- C60 H36 Cd6 Cl N48 O12 Rb -","- C240 H144 Cd24 Cl4 N192 O48 Rb4 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0524","0.0558","","","","","","1.102","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221058","20.6704","0.0005","20.6704","0.0005","20.6704","0.0005","90","","90","","90","","8831.7","0.4","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07 -","- C20 H12 Br0.333333 Cd2 N16 O4 Rb0.333333 -","- C240 H144 Br4 Cd24 N192 O48 Rb4 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0351","0.0262","","","0.0631","0.0672","","","","","","1.109","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221059","20.7438","0.0004","20.7438","0.0004","20.7438","0.0004","90","","90","","90","","8926.2","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd I N O Rb -","- C4 H2.4 Cd0.4 I0.0666667 N3.2 O0.8 Rb0.0666667 -","- C240 H144 Cd24 I4 N192 O48 Rb4 -","60","2.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.028","0.0204","","","0.0446","0.0481","","","","","","1.047","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221060","20.7166","0.0004","20.7166","0.0004","20.7166","0.0004","90","","90","","90","","8891.1","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 I K N48 O12 -","- C60 H36 Cd6 I K N48 O12 -","- C240 H144 Cd24 I4 K4 N192 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0278","0.0203","","","0.0441","0.0479","","","","","","1.07","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221061","10.8092","0.0015","10.8092","0.0015","12.501","0.003","90","","90","","90","","1460.6","0.5","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Gd N2 O12 -","- C10 H10 Cr Gd N2 O12 -","- C40 H40 Cr4 Gd4 N8 O48 -","4","0.25","","Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant","CrystEngComm","2015","17","38","7270","","10.1039/C5CE00997A","","","0.71073","MoKα","","0.0537","0.0487","","","0.0884","0.0906","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221120","9.718","0.0005","10.2978","0.0005","12.2586","0.0005","89.871","0.004","80.34","0.004","74.104","0.004","1161.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C40 H34 Cl4 N10 O22 -","2","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1103","0.0973","","","0.2217","0.2281","","","","","","1.047","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221121","8.9344","0.0002","18.8814","0.0006","14.142","0.0004","90","","90.449","0.002","90","","2385.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C80 H68 Cl8 N20 O44 -","4","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1088","0.0711","","","0.1794","0.204","","","","","","1.066","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221122","32.842","0.007","8.4292","0.0017","17.392","0.004","90","","103.11","0.03","90","","4689.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C160 H136 Cl16 N40 O88 -","8","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.0813","0.0714","","","0.191","0.2012","","","","","","1.068","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221123","7.141","0.002","17.151","0.004","20.891","0.005","90","","99.18","0.03","90","","2525.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene acetonitrile monosolvate","","- C24 H13 N5 O4 S4 -","- C24 H13 N5 O4 S4 -","- C96 H52 N20 O16 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1038","0.0664","","","0.1564","0.1773","","","","","","1.096","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221124","7.3769","0.0011","9.3811","0.0009","18.9293","0.0019","81.218","0.007","88.805","0.01","75.958","0.01","1255.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate","","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C50 H25 Cl N8 O8 S8 -","2","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0762","0.0408","","","0.0921","0.1098","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221125","7.1635","0.0016","19.881","0.004","37.705","0.008","90","","90","","90","","5370","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetonitrile monosolvate","","- C24 H12 N6 O6 S4 -","- C24 H12 N6 O6 S4 -","- C192 H96 N48 O48 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1039","0.057","","","0.1404","0.1647","","","","","","1.029","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221126","7.1682","0.0015","19.902","0.006","37.805","0.009","90","","90","","90","","5393","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate","","- C23.5 H12 N5 O6.5 S4 -","- C23.5 H12 N5 O6.5 S4 -","- C188 H96 N40 O52 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1109","0.0621","","","0.1472","0.1848","","","","","","1.092","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221127","15.9432","0.0014","12.1351","0.0009","13.5738","0.0011","90","","104.572","0.007","90","","2541.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrathiafulvalene 9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid monohydrate","","- C23 H11 N5 O9 S4 -","- C23 H11 N5 O9 S4 -","- C92 H44 N20 O36 S16 -","4","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0647","0.0547","","","0.1448","0.1511","","","","","","1.064","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221128","10.0608","0.001","10.3528","0.0011","15.612","0.002","107.535","0.008","100.525","0.009","90.877","0.008","1520.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","tris(Tetrathiafulvalene) bis(9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid) acetonitrile disolvate","","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","1","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0862","0.0569","","","0.1385","0.1567","","","","","","1.059","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221129","14.4612","0.0003","22.9608","0.0005","26.3393","0.0007","75.41","0.002","77.11","0.002","87.87","0.002","8248.7","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H344 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0993","0.0852","","","0.2198","0.2328","","","","","","1.021","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221130","12.7595","0.0006","18.6525","0.0012","20.5628","0.0012","94.553","0.005","100.514","0.004","106.892","0.005","4558.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C179 H188 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.2533","0.1607","","","0.3545","0.4141","","","","","","1.058","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221131","14.082","0.0002","19.2969","0.0004","30.278","0.0008","86.912","0.002","79.794","0.002","78.073","0.002","7921.4","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H180 Gd2 N4 O63 P2 S8 -","- C140 H116 Gd2 N4 O63 P2 S8 -","- C280 H232 Gd4 N8 O126 P4 S16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.1598","0.145","","","0.3709","0.3824","","","","","","1.002","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221132","19.6775","0.0018","7.2816","0.0009","6.0174","0.0006","90","","96.137","0.009","90","","857.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0734","0.0554","","","0.1322","0.1456","","","","","","1.005","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221133","17.6212","0.0004","17.6212","0.0004","71.599","0.002","90","","90","","120","","19253.4","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H152 Cd7 I12 N22 O8 -","- C90 H150 Cd7 I12 N22 O8 -","- C540 H900 Cd42 I72 N132 O48 -","6","0.166667","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.0337","0.0308","","","0.0738","0.0754","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221134","10.1322","0.0014","18.536","0.002","26.333","0.004","90","","99.012","0.002","90","","4884.6","1.1","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H63 Cd3 Cl6 N8 O4.5 -","- C36 H54 Cd3 Cl6 N8 O4.5 -","- C144 H216 Cd12 Cl24 N32 O18 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.052","0.0459","","","0.1213","0.1272","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221135","9.671","0.0001","33.8375","0.0004","14.2619","0.0002","90","","93.22","0.001","90","","4659.73","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Br6 Cd3 N8 O1.5 -","- C36 H54 Br6 Cd3 N8 O1.5 -","- C144 H216 Br24 Cd12 N32 O6 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0467","0.0413","","","0.0976","0.1003","","","","","","1.147","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221136","13.149","0.005","14.006","0.005","15.694","0.006","87.296","0.007","66.076","0.007","81.938","0.006","2615.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Cl4 N11 O14 Zn2 -","- C42 H63 Cl4 N11 O14 Zn2 -","- C84 H126 Cl8 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1103","0.055","","","0.137","0.1651","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221137","13.253","0.004","14.04","0.005","15.795","0.005","87.47","0.006","65.997","0.006","82.199","0.006","2659.8","1.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C84 H134 Br2 Cl6 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1004","0.0554","","","0.1537","0.1823","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221138","10.0947","0.0003","18.4694","0.0005","26.2626","0.0007","90","","99.587","0.003","90","","4828.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Cl6 Hg3 N8 O2 -","- C36 H58 Cl6 Hg3 N8 O2 -","- C144 H232 Cl24 Hg12 N32 O8 -","4","0.5","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1349","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221139","9.641","0.0002","33.6643","0.0007","14.2372","0.0003","90","","92.897","0.002","90","","4614.88","0.17","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56.5 Br6 Hg3 N8 O1.25 -","- C36 H54 Br6 Hg3 N8 O1.25 -","- C144 H216 Br24 Hg12 N32 O5 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0542","0.0407","","","0.089","0.0954","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221140","17.4241","0.0003","10.4127","0.0003","26.497","0.001","90","","90","","90","","4807.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H66 Hg2 I N11 O15 -","- C36 H54 Hg2 I N11 O15 -","- C144 H216 Hg8 I4 N44 O60 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54184","CuKα","","0.0393","0.0365","","","0.088","0.0909","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221147","20.7929","0.0008","12.4871","0.0007","19.5025","0.0009","90","","97.329","0.004","90","","5022.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52.5 Cu3 N4 O22.25 -","- C42 H38 Cu3 N4 O16.125 -","- C168 H152 Cu12 N16 O64.5 -","4","1","","Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian","Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages","CrystEngComm","2015","17","32","6107","","10.1039/C5CE01094B","","","1.54184","CuKα","","0.0668","0.0549","","","0.133","0.1418","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221148","7.2953","0.0002","17.2658","0.0005","28.4236","0.0007","90","","90","","90","","3580.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cu N3 O7 -","- C18 H15 Cu N3 O7 -","- C144 H120 Cu8 N24 O56 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","","","1.5418","CuKα","","0.0494","0.039","","","0.1032","0.1122","","","","","","0.855","","","","has coordinates","171079","2020-10-21","18:00:00",""
"7221149","7.497","0.0005","19.8283","0.0016","23.844","0.0018","90","","90","","90","","3544.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cu N3 O6 -","- C18 H13 Cu N3 O6 -","- C144 H104 Cu8 N24 O48 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","powder diffraction","x-ray","0.827","","","0.1045","0.1031","","0.0976","0.0972","","","","2.84","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221150","14.521","0.003","7.7378","0.0015","15.997","0.003","90","","106.4","0.03","90","","1724.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O5 Zn -","- C16 H16 N4 O5 Zn -","- C64 H64 N16 O20 Zn4 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0535","0.0424","","","0.0988","0.1034","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221151","16.0364","0.0006","7.6528","0.0003","35.3947","0.0014","90","","99.7638","0.0013","90","","4280.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C166 H178 N38 O50 Zn8 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0852","0.0518","","","0.1497","0.1744","","","","","","1.022","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221152","16.9909","0.0015","7.6688","0.0007","16.0077","0.0015","90","","102.322","0.002","90","","2037.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.3 H29.45 N9.15 O10 Zn2 -","- C32.3 H29.45 N9.15 O10 Zn2 -","- C64.6 H58.9 N18.3 O20 Zn4 -","2","0.5","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.124","0.0851","","","0.2369","0.2651","","","","","","1.136","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221527","12.6305","0.0012","14.5753","0.0007","22.114","0.003","93.228","0.006","100.746","0.009","98.776","0.006","3937.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H0 Cl0 Cu3 N3 O21 P3 -","- C42 H24 Cu3 N3 O21 P3 -","- C84 H48 Cu6 N6 O42 P6 -","2","1","","Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing","A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature","CrystEngComm","2015","17","33","6314","","10.1039/C5CE00930H","","","1.54184","CuKα","","0.2527","0.1921","","","0.4431","0.491","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221528","9.3226","0.0009","12.5095","0.0012","18.7848","0.0018","90","","94.335","0.002","90","","2184.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br2 N6 O12 U2 -","- C46 H26 Br2 N6 O12 U2 -","- C92 H52 Br4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0269","0.0202","","","0.0417","0.0436","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221529","9.2926","0.0003","12.5893","0.0005","18.697","0.0007","90","","95.618","0.001","90","","2176.81","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 N6 O12 U2 -","- C46 H26 Cl2 N6 O12 U2 -","- C92 H52 Cl4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0297","0.0211","","","0.0405","0.0428","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221530","8.0743","0.0009","11.9715","0.0014","15.0411","0.0017","106.612","0.001","102.208","0.001","100.75","0.001","1313.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0823","0.046","","","0.1062","0.1217","","","","","","0.977","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221531","8.0819","0.0006","12.6732","0.001","13.3764","0.001","100.472","0.001","91.219","0.001","98.444","0.001","1331.01","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0744","0.0434","","","0.0783","0.0873","","","","","","1.029","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221532","10.534","0.0008","11.5475","0.0008","13.4109","0.001","68.203","0.001","77.871","0.001","87.132","0.001","1480.17","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0549","0.042","","","0.1037","0.1105","","","","","","1.069","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221533","7.9974","0.0013","12.0617","0.0019","14.965","0.002","106.548","0.002","101.601","0.002","101.362","0.002","1304.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0603","0.0473","","","0.116","0.1231","","","","","","1.02","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221534","9.314","0.004","10.897","0.005","14.017","0.006","67.557","0.006","77.931","0.007","85.379","0.007","1285.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0529","0.0333","","","0.0623","0.0681","","","","","","1.016","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221546","7.6202","0.0008","19.01","0.003","10.1116","0.0008","90","","90.388","0.008","90","","1464.7","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Metacetamol, 3-Acetamidophenol","N-(3-Hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","","McGregor, Lindsay; Rychkov, Denis A.; Coster, Paul L.; Day, Sarah; Drebushchak, Valeri A.; Achkasov, Andrei F.; Nichol, Gary S.; Pulham, Colin R.; Boldyreva, Elena V.","A new polymorph of metacetamol","CrystEngComm","2015","17","32","6183","","10.1039/C5CE00910C","","x-ray","1.54178","CuKα","","0.1251","0.1094","","","0.3354","0.3476","","","","","","1.055","","","","has coordinates","153129","2020-10-21","18:00:00",""
"7221547","4.789","0.004","25.136","0.019","17.087","0.013","90","","90","","90","","2057","3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 F12 N5 O -","- C20 H9 F12 N5 O -","- C80 H36 F48 N20 O4 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.117","0.0717","","","0.1552","0.1719","","","","","","1.084","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221548","10.1185","0.0018","11.019","0.002","22.947","0.004","90","","90","","90","","2558.5","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H11 F12 N5 -","- C26 H11 F12 N5 -","- C104 H44 F48 N20 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.0881","0.0767","","","0.2019","0.2194","","","","","","0.985","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221549","35.203","0.015","4.925","0.002","30.419","0.013","90","","90","","90","","5274","4","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H15 F12 N5 O -","- C27 H15 F12 N5 O -","- C216 H120 F96 N40 O8 -","8","2","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.163","0.0706","","","0.1403","0.189","","","","","","1.01","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221550","15.5721","0.0011","15.585","0.0011","15.7385","0.0011","66.294","0.001","86.318","0.001","67.269","0.001","3206.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Co2 N8 O19 S4 -","- C64 H44 Co2 N8 O19 S4 -","- C128 H88 Co4 N16 O38 S8 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0871","0.0513","","","0.1528","0.182","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221566","10.7736","0.0002","15.2684","0.0003","18.6621","0.0003","90","","104.275","0.001","90","","2975.05","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C152 H120 Br8 O8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0408","0.0292","","","0.075","0.0801","","","","","","1.035","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221567","10.7837","0.0002","15.2773","0.0004","18.8871","0.0004","90","","104.273","0.001","90","","3015.52","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C152 H128 Br8 N8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.034","0.0272","","","0.0733","0.0782","","","","","","1.006","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221568","12.152","0.0003","13.7838","0.0003","9.579","0.0003","90","","90","","90","","1604.49","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0273","0.0231","","","0.0578","0.0594","","","","","","0.94","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221569","8.9849","0.0006","5.7029","0.0003","17.1999","0.0011","90","","99.978","0.004","90","","867.99","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H20 O -","- C25 H20 O -","- C50 H40 O2 -","2","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0393","0.0358","","","0.0924","0.0952","","","","","","1.037","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221570","15.6058","0.0003","18.7804","0.0004","21.1189","0.0004","68.874","0.001","74.947","0.001","74.08","0.001","5462.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O -","- C25 H20 O -","- C300 H240 O12 -","12","6","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0873","0.0521","","","0.1254","0.1522","","","","","","1.005","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221571","11.328","0.005","5.042","0.002","15.578","0.007","90","","109.947","0.011","90","","836.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-phenyl-2-formylpyrrole","5-phenyl-1H-pyrrole-2-carbaldehyde","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0603","0.0443","","","0.1191","0.1279","","","","","","1.065","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221572","8.0139","0.0018","13.509","0.002","10.342","0.002","90","","102.552","0.009","90","","1092.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(3,5-dimethylphenyl)-2-formylpyrrole","5-(3,5-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1782","0.1218","","","0.2843","0.2996","","","","","","0.897","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221573","13.086","0.002","4.7468","0.0007","19.887","0.003","90","","105.901","0.009","90","","1188","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(3,5-bis(trifluoromethyl)phenyl)-2-formylpyrrole","5-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H7 F6 N O -","- C13 H7 F6 N O -","- C52 H28 F24 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0962","0.0446","","","0.0863","0.0972","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221574","8.6799","0.0013","9.8371","0.0013","12.608","0.002","72.477","0.007","70.308","0.005","65.232","0.004","904.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-(2,4,6-triisopropylphenyl)-2-formylpyrrole","5-(2,4,6-triisopropylphenyl)-1H-pyrrole-2-carbaldehyde","","- C20 H27 N O -","- C20 H27 N O -","- C40 H54 N2 O2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1054","0.0498","","","0.1036","0.1169","","","","","","0.942","","","","has coordinates,has disorder","171085","2020-10-21","18:00:00",""
"7221575","7.9115","0.0007","23.9817","0.0018","11.4591","0.001","90","","96.844","0.003","90","","2158.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(2,6-dimethylphenyl)-2-formylpyrrole","5-(2,6-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1172","0.0521","","","0.0941","0.1098","","","","","","0.913","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221576","5.5376","0.0003","6.4429","0.0003","27.5008","0.0014","90","","90","","90","","981.18","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-(4-methoxyphenyl)-2-formylpyrrole","5-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0656","0.0426","","","0.0818","0.0879","","","","","","1.011","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221577","5.5758","0.0008","6.3791","0.0006","24.493","0.003","90","","90","","90","","871.18","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-(4-fluorophenyl)-2-formylpyrrole","5-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde","","- C11 H8 F N O -","- C11 H8 F N O -","- C44 H32 F4 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.095","0.05","","","0.0785","0.0889","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221578","10.331","0.002","13.446","0.003","16.673","0.003","90","","110.858","0.009","90","","2164.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N5 O8 S -","- C17 H21 Cd N5 O8 S -","- C68 H84 Cd4 N20 O32 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.057","0.0507","","","0.1252","0.1296","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221579","6.941","0.002","24.44","0.008","13.04","0.004","90","","107.867","0.013","90","","2105.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 S -","- C18 H21 Cd N5 O7 S -","- C72 H84 Cd4 N20 O28 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.1384","0.0871","","","0.1871","0.2101","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221580","8.9864","0.0004","15.9532","0.0008","20.1727","0.001","90","","101.463","0.001","90","","2834.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N6 O9 S2 -","- C22 H24 Cd N6 O9 S2 -","- C88 H96 Cd4 N24 O36 S8 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0327","0.0267","","","0.0656","0.0693","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221581","12.7557","0.0005","15.4715","0.0005","22.2958","0.0008","90","","96.906","0.001","90","","4368.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cd N5 O6 S -","- C19 H21 Cd N5 O6 S -","- C152 H168 Cd8 N40 O48 S8 -","8","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0363","0.0298","","","0.0634","0.0663","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221582","9.4744","0.0004","17.5789","0.0008","14.41","0.0007","90","","90","","90","","2399.98","0.19","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H22 Cd N6 O8 S -","- C20 H22 Cd N6 O8 S -","- C80 H88 Cd4 N24 O32 S4 -","4","0.5","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.053","0.0443","","","0.1429","0.1556","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221590","13.916","0.0012","13.916","0.0012","21.142","0.004","90","","90","","90","","4094.3","0.9","100","1","100","1","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C38 H24 N2 O8 Si Zn2 -","- C37.9992 H23.9992 N2 O8 Si Zn2 -","- C75.9984 H47.9984 N4 O16 Si2 Zn4 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.0695","0.0628","","","0.1899","0.1944","","","","","","1.054","","","","has coordinates,has disorder","153109","2020-10-21","18:00:00",""
"7221591","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221593","11.9816","0.0009","13.5266","0.0006","8.5608","0.0004","90","","90","","90","","1387.45","0.14","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","0.5","","Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik","Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea","CrystEngComm","2015","17","33","6274","","10.1039/C5CE01291K","","","0.71073","MoKα","","0.0622","0.037","","","0.0936","0.0984","","","","","","0.946","","","","has coordinates","171080","2020-10-21","18:00:00",""
"7221594","22.31","0.002","71.299","0.007","5.808","0.0007","90","","90","","90","","9238.7","1.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C432 H352 N32 O64 S16 -","16","1","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1092","0.0586","","","0.1566","0.2107","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221595","11.4461","0.0014","11.5142","0.0014","27.13","0.004","102.158","0.008","94.726","0.008","91.906","0.007","3478.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O6 S -","- C42 H32 N2 O6 S -","- C168 H128 N8 O24 S4 -","4","2","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1721","0.054","","","0.1048","0.1394","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221607","8.7542","0.0008","16.4242","0.0015","15.9879","0.0015","90","","91.709","0.002","90","","2297.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O7 Zn -","- C23 H26 N4 O7 Zn -","- C92 H104 N16 O28 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.0606","0.0443","","","0.1123","0.1215","","","","","","1.091","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221608","8.485","0.005","14.529","0.009","14.073","0.008","90","","94.11","0.03","90","","1730.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.1826","0.0817","","","0.1894","0.2307","","","","","","0.98","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221611","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H18 N0 O11 Zn -","- C22 H18 O11 Zn -","- C88 H72 O44 Zn4 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0402","0.0296","","","0.0674","0.072","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221612","15.1215","0.0013","10.2017","0.0009","22.1609","0.0019","90","","107.281","0.0018","90","","3264.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.087","0.0541","","","0.1262","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221613","15.3901","0.0012","9.9023","0.0008","21.9596","0.0017","90","","105.911","0.003","90","","3218.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.1057","0.0482","","","0.0963","0.1215","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221614","21.3597","0.0015","10.7751","0.0007","31.118","0.002","90","","92.635","0.002","90","","7154.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl N8 O17 Zn4 -","- C76 H59 Cl N8 O17 Zn4 -","- C304 H236 Cl4 N32 O68 Zn16 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0969","0.0523","","","0.1253","0.1534","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221615","11.0644","0.0005","28.5964","0.0013","10.4332","0.0005","90","","96.5018","0.0015","90","","3279.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N4 O9 -","- C36 H26 Cd2 N4 O9 -","- C144 H104 Cd8 N16 O36 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.059","0.0462","","","0.1148","0.1236","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221624","17.5235","0.0011","17.5235","0.0011","17.5235","0.0011","90","","90","","90","","5381","0.6","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C12.4 H21.2 Cu3 La O23.7 S1.7 -","- C13.98 Cu3 La O21.5 S2.49 -","- C55.92 Cu12 La4 O86 S9.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54184","CuKα","","0.0752","0.0742","","","0.2191","0.2223","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221625","17.618","0.0002","17.618","0.0002","17.618","0.0002","90","","90","","90","","5468.52","0.11","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C13 H19 Ce Cu3 O22 S2 -","- C10.98 Ce Cu3 O20 S0.99 -","- C43.92 Ce4 Cu12 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1032","0.049","","","0.1106","0.1191","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221626","17.58","0.002","17.58","0.002","17.58","0.002","90","","90","","90","","5433.2","1.1","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C14 H28 Cu3 O25.5 Pr S2.5 -","- C10.98 Cu3 O20 Pr S0.99 -","- C43.92 Cu12 O80 Pr4 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1323","0.084","","","0.2092","0.242","","","","","","0.998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221627","17.5154","0.0004","17.5154","0.0004","17.5154","0.0004","90","","90","","90","","5373.5","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C15.8 H37.4 Cu3 Nd O28.4 S3.4 -","- C10.98 Cu3 Nd O20 S0.99 -","- C43.92 Cu12 Nd4 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1002","0.0659","","","0.1668","0.1828","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221628","20.2355","0.0009","27.1206","0.0009","23.3255","0.0008","90","","109.709","0.004","90","","12051.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu6 Eu2 O42 S2 -","- C22 H12 Cu6 Eu2 O42 S2 -","- C176 H96 Cu48 Eu16 O336 S16 -","8","1","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54185","CuKα","","0.1647","0.1454","","","0.3517","0.3867","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221629","16.4455","0.0003","15.0098","0.0005","27.8995","0.0007","79.513","0.002","98.024","0.002","105.156","0.002","6505.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H34 Cu N4 O11 V2 -","- C10 H24 Cu N4 O11 V2 -","- C120 H288 Cu12 N48 O132 V24 -","12","6","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0656","0.0458","","","0.1012","0.1106","","","","","","1.038","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221630","8.0199","0.0002","13.9524","0.0006","14.2588","0.0005","102.032","0.003","101.742","0.003","97.56","0.003","1502.38","0.1","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H30 Cu N4 O9 V2 -","- C10 H24 Cu N4 O9 V2 -","- C30 H72 Cu3 N12 O27 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0338","0.0292","","","0.0743","0.0776","","","","","","1.051","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221631","8.6253","0.001","12.89","0.002","13.368","0.002","103.208","0.014","106.557","0.012","95.595","0.011","1365.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H26.67 Cu N4 O7.33 V2 -","- C10 H24 Cu N4 O7.33333 V2 -","- C30 H72 Cu3 N12 O22 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.1338","0.0886","","","0.1621","0.1828","","","","","","1.132","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221632","8.751","0.002","13.094","0.003","13.363","0.003","102.449","0.018","101.653","0.019","101.148","0.019","1418.8","0.6","393","2","393","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H24 Cu N4 O6 V2 -","- C10 H24 Cu N4 O6 V2 -","- C30 H72 Cu3 N12 O18 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.2426","0.1078","","","0.1866","0.2511","","","","","","1.058","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221636","17.3644","0.0008","16.2122","0.0008","16.2003","0.0008","90","","103.517","0.001","90","","4434.3","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 Pr2 S6 -","- C82 H62 N16 O29 Pr2 S6 -","- C164 H124 N32 O58 Pr4 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0551","0.0393","","","0.0865","0.093","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221637","17.3435","0.0016","16.1923","0.0016","16.0934","0.0014","90","","103.429","0.002","90","","4396","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Sm2 -","- C82 H62 N16 O29 S6 Sm2 -","- C164 H124 N32 O58 S12 Sm4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1014","0.0552","","","0.0968","0.1134","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221638","17.3174","0.0017","16.1834","0.0016","16.066","0.0014","90","","103.431","0.002","90","","4379.4","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Eu2 N16 O29 S6 -","- C82 H62 Eu2 N16 O29 S6 -","- C164 H124 Eu4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1126","0.0571","","","0.1033","0.1233","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221639","17.2968","0.0015","16.1959","0.0014","16.028","0.0014","90","","103.363","0.002","90","","4368.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Gd2 N16 O29 S6 -","- C82 H62 Gd2 N16 O29 S6 -","- C164 H124 Gd4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0797","0.0475","","","0.0875","0.0996","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221640","17.2852","0.0019","16.1853","0.0017","15.9746","0.0017","90","","103.335","0.002","90","","4348.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Dy2 N16 O29 S6 -","- C82 H62 Dy2 N16 O29 S6 -","- C164 H124 Dy4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0574","0.0387","","","0.0814","0.0889","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221641","17.2839","0.0008","16.1782","0.0006","16.0035","0.0006","90","","103.316","0.001","90","","4354.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Tb2 -","- C82 H62 N16 O29 S6 Tb2 -","- C164 H124 N32 O58 S12 Tb4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.06","0.0375","","","0.0769","0.0859","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221642","17.4695","0.0003","8.64315","0.00013","19.7657","0.0003","90","","90","","90","","2984.45","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H11 N5 O2 Zn -","- C17 H11 N5 O2 Zn -","- C136 H88 N40 O16 Zn8 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","1.5418","CuKα","","0.026","0.0237","","","0.0638","0.0653","","","","","","1.053","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221643","18.58","0.004","9.962","0.002","32.732","0.008","90","","90","","90","","6058","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N9 O6 Zn2 -","- C28 H25 N9 O6 Zn2 -","- C224 H200 N72 O48 Zn16 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","0.71073","MoKα","","0.0408","0.0342","","","0.0853","0.0881","","","","","","1.114","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221644","30.19","0.005","19.637","0.003","16.038","0.003","90","","108.829","0.003","90","","8999","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C91 H199 Co3 N13 O71 -","- C64 H50 Co3 N4 O19 -","- C256 H200 Co12 N16 O76 -","4","0.5","","Li, Jian-Ping; Ma, Yu-Qin; Geng, Li-Hua; Li, Yun-Hui; Yi, Fei-Yan","A highly stable porous multifunctional Co(ii) metal‒organic framework showing excellent gas storage applications and interesting magnetic properties","CrystEngComm","2015","17","34","6471","","10.1039/C5CE01123J","","","0.71073","MoKα","","0.1405","0.0896","","","0.2452","0.2841","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221645","7.6681","0.0008","31.909","0.003","15.4268","0.0016","90","","90","","90","","3774.7","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu6 I4 N8 O11 -","- C20 H18 Cu6 I4 N8 O11 -","- C80 H72 Cu24 I16 N32 O44 -","4","0.5","","Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng","A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis","CrystEngComm","2015","17","35","6693","","10.1039/C5CE01041A","","","0.71073","MoKα","","0.0583","0.0422","","","0.108","0.1149","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221646","10.214","0.003","14.064","0.003","14.282","0.004","75.127","0.011","87.917","0.012","79.52","0.013","1949.7","0.9","97","","97","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.71075","MoKα","","0.1847","0.1064","","","0.2782","0.3529","","","","","","1.035","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221647","10.1283","0.0014","13.8996","0.0013","14.2922","0.0018","74.962","0.008","87.263","0.009","79.42","0.008","1910.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0657","0.0533","","","0.1741","0.19","","","","","","1.058","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221648","10.406","0.01","14.261","0.013","14.52","0.015","74.7","0.03","88.45","0.04","79.38","0.04","2042","3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.1579","0.1069","","","0.2891","0.353","","","","","","1.041","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221649","10.0773","0.0017","13.935","0.002","14.259","0.002","74.988","0.005","86.579","0.006","79.096","0.006","1899","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H28 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0848","0.0543","","","0.1306","0.1577","","","","","","1.008","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221656","9.2206","0.0018","14.881","0.003","15.697","0.003","115.13","0.03","92.57","0.03","99.02","0.03","1910.8","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Co2 N8 O8 -","- C40 H36 Co2 N8 O8 -","- C80 H72 Co4 N16 O16 -","2","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0856","0.052","","","0.1017","0.1159","","","","","","1.006","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221657","26.01","0.011","10.83","0.005","15.972","0.007","90","","90.758","0.007","90","","4499","3","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H52 Cu2 N8 O16 -","- C40 H52 Cu2 N8 O16 -","- C160 H208 Cu8 N32 O64 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.058","0.0396","","","0.1037","0.1122","","","","","","1.032","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221658","24.081","0.008","6.4039","0.0008","16.283","0.004","90","","121.64","0.04","90","","2137.8","1.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Ag N4 O6 -","- C20 H23 Ag N4 O6 -","- C80 H92 Ag4 N16 O24 -","4","0.5","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0976","0.0655","","","0.1829","0.2105","","","","","","1.092","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221659","13.2788","0.0002","8.3693","0.0001","16.8959","0.0004","90","","102.025","0.002","90","","1836.51","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0426","0.0349","","","0.0844","0.0887","","","","","","1.003","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221660","27.288","0.004","27.288","0.004","32.044","0.006","90","","90","","120","","20664","6","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C240 H232 Cd12 N48 O56 -","- C240 H232 Cd12 N48 O56 -","- C720 H695.999 Cd36 N144 O168 -","3","0.166667","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0509","0.0421","","","0.1055","0.1069","","","","","","1.091","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221661","14.897","0.008","10.377","0.006","8.216","0.005","90","","90.647","0.008","90","","1270","1.3","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 Cl2 Hg N2 O2 -","- C10 H10 Cl2 Hg N2 O2 -","- C40 H40 Cl8 Hg4 N8 O8 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0268","0.0221","","","0.0654","0.0676","","","","","","1.043","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221672","15.823","0.017","9.588","0.01","17.462","0.019","90","","114.623","0.013","90","","2408","4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.2985","0.1377","","","0.1868","0.2393","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221673","17.097","0.015","8.764","0.007","17.682","0.016","90","","117.686","0.009","90","","2346","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.163","0.0848","","","0.1616","0.195","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221674","17.149","0.014","8.78","0.007","17.692","0.014","90","","117.636","0.008","90","","2360","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.1784","0.088","","","0.1776","0.2169","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221680","9.2264","0.0007","31.583","0.003","13.1257","0.001","90","","105.764","0.003","90","","3680.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Cl6 N16 O21 -","- C60 H66 Cl6 N16 O21 -","- C120 H132 Cl12 N32 O42 -","2","0.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","0.71073","MoKα","","0.084","0.0798","","0.0815","0.0747","0.0721","","","","","","1.0484","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221681","10.7229","0.0001","34.3062","0.0004","15.2099","0.0002","90","","114.8","0.001","90","","5079.15","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 Cl4 N7 O15 -","- C46 H49 Cl4 N7 O15 -","- C184 H196 Cl16 N28 O60 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0747","0.0716","","0.0873","0.0864","0.0861","","","","","","0.9676","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221682","13.3011","0.0004","24.6348","0.0006","7.1285","0.0002","90","","96.565","0.003","90","","2320.48","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N6 O13 -","- C19 H26 N6 O13 -","- C76 H104 N24 O52 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0373","0.0358","","0.0426","0.0417","0.0413","","","","","","1.0385","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221683","38.2977","0.0005","38.2977","0.0005","22.9827","0.0004","90","","90","","90","","33709","0.9","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C29 H38 N4 O17 -","- C29 H28 N4 O12 -","- C1160 H1120 N160 O480 -","40","2.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0803","0.0743","","0.0838","0.0811","0.0803","","","","","","1.0691","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221684","10.3014","0.0006","12.5123","0.0008","17.7504","0.001","94.575","0.005","97.802","0.005","104.605","0.005","2177.9","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 N5 O17 -","- C44 H45 N5 O17 -","- C88 H90 N10 O34 -","2","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0994","0.0799","","0.1044","0.0927","0.0912","","","","","","1.1182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221688","18.985","0.003","18.985","0.003","68.34","0.014","90","","90","","120","","21332","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_origin","","","- C114 H122 N14 O34 Zn8 -","- C90 H66 N6 O26 Zn8 -","- C540 H396 N36 O156 Zn48 -","6","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.7","synchrotron","","0.0757","0.0551","","","0.1717","0.1835","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221689","19.168","0.003","19.168","0.003","67.695","0.013","90","","90","","120","","21540","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_benzene","","","- C366 H318 N12 O52 Zn16 -","- C198 H150 N12 O52 Zn16 -","- C594 H450 N36 O156 Zn48 -","3","0.166667","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.70001","synchrotron","","0.0685","0.0563","","","0.1711","0.1783","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221690","18.653","0.003","18.653","0.003","65.066","0.013","90","","90","","120","","19606","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_hexane","","","- C63 H75 N3 O13 Zn4 -","- C63 H75 N3 O13 Zn4 -","- C756 H900 N36 O156 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.67999","synchrotron","","0.0819","0.0575","","","0.1516","0.1753","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221691","18.118","0.003","18.118","0.003","67.542","0.014","90","","90","","120","","19201","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_MeOH","","","- C54 H77 N3 O26 Zn4 -","- C51 H57 N3 O20 Zn4 -","- C612 H684 N36 O240 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.64999","synchrotron","","0.1447","0.1078","","","0.3161","0.3361","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221696","9.2565","0.0014","10.1736","0.0015","15.405","0.002","95.282","0.003","105.188","0.002","91.394","0.002","1392.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0443","0.0327","","","0.0791","0.0829","","","","","","1.002","","","","has coordinates,has disorder","173739","2020-10-21","18:00:00",""
"7221697","9.196","0.006","10.084","0.006","15.198","0.009","73.07","0.012","88.636","0.012","89.664","0.012","1347.9","1.4","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0963","0.056","","","0.1292","0.1425","","","","","","1.001","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221698","10.1032","0.0008","9.2299","0.0007","31.773","0.003","90","","107.486","0.002","90","","2826","0.4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0569","0.0403","","","0.0863","0.0965","","","","","","0.999","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221699","9.247","0.004","9.97","0.005","15.025","0.008","100.151","0.009","91.372","0.009","91.776","0.009","1362.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0998","0.0483","","","0.072","0.0802","","","","","","1.002","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221715","12.5772","0.0015","13.5174","0.0019","13.8758","0.0014","88.395","0.01","88.618","0.009","89.946","0.01","2357.4","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 Co N11 O6 -","- C48 H51 Co N11 O6 -","- C96 H102 Co2 N22 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0723","0.0525","","","0.1216","0.1349","","","","","","1.022","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221716","12.582","0.0005","13.4972","0.0007","13.9527","0.0005","88.824","0.004","88.632","0.003","89.748","0.004","2368.28","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N11 Ni O6 -","- C48 H51 N11 Ni O6 -","- C96 H102 N22 Ni2 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0567","0.0426","","","0.1003","0.109","","","","","","1.031","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221717","10.5901","0.0009","12.6454","0.001","14.7745","0.0012","72.448","0.007","82.861","0.007","88.524","0.007","1871.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 Cu N7 O6 -","- C40 H39 Cu N7 O6 -","- C80 H78 Cu2 N14 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0503","0.0381","","","0.0847","0.0917","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221718","23.5066","0.0006","12.391","0.0003","29.062","0.002","90","","109.306","0.008","90","","7988.9","0.7","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H78 Cl2 Co4 N12 O22 -","- C78 H78 Cl2 Co4 N12 O22 -","- C312 H312 Cl8 Co16 N48 O88 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0995","0.069","","","0.1874","0.209","","","","","","1.028","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221719","15.0627","0.0005","15.0627","0.0005","33.6307","0.0016","90","","90","","90","","7630.3","0.5","173","2","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O20 -","- C76 H76 Co4 N12 O20 -","- C304 H304 Co16 N48 O80 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1378","0.15","","","","","","1.098","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221720","15.0145","0.0004","15.0145","0.0004","33.6543","0.0011","90","","90","","90","","7586.9","0.4","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O24 -","- C76 H76 Co4 N12 O24 -","- C304 H304 Co16 N48 O96 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.077","0.0515","","","0.1477","0.1631","","","","","","1.061","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221721","12.6956","0.0004","14.4449","0.0004","22.4981","0.0007","77.797","0.002","79.842","0.002","72.698","0.003","3821.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Co N8 O8 -","- C42 H39 Co N8 O8 -","- C168 H156 Co4 N32 O32 -","4","2","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.145","0.0746","","","0.1315","0.1562","","","","","","1.023","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221722","27.0155","0.0019","13.565","0.0009","36.028","0.003","90","","97.0327","0.0008","90","","13103.7","1.7","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C60 H66 Cl N9 Ni2 O16 -","- C60 H66 Cl N9 Ni2 O16 -","- C480 H528 Cl8 N72 Ni16 O128 -","8","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0912","0.0709","","","0.204","0.2176","","","","","","1.04","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221723","23.7809","0.0003","19.3947","0.0003","21.4148","0.0002","90","","97.9199","0.0012","90","","9782.8","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H102 Cl2 Cu4 N12 O28 -","- C84 H102 Cl2 Cu4 N12 O28 -","- C336 H408 Cl8 Cu16 N48 O112 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0779","0.0545","","","0.1529","0.1682","","","","","","1.075","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221724","11.7862","0.0005","21.7148","0.0008","16.764","0.0006","90","","101.32","0.004","90","","4207","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Co4 N2 O14 -","- C36 H50 Cl2 Co4 N2 O14 -","- C144 H200 Cl8 Co16 N8 O56 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0517","0.0372","","","0.085","0.0938","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221734","17.6278","0.0007","8.6461","0.0004","21.0723","0.0008","90","","105.829","0.0019","90","","3089.9","0.2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O2 -","- C34 H30 N6 O2 -","- C136 H120 N24 O8 -","4","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.2845","0.1116","","","0.1468","0.209","","","","","","1.212","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221735","7.47796","0.00015","8.7915","0.00016","10.00729","0.00018","67.6476","0.001","72.0277","0.001","80.1605","0.001","577.708","0.019","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0565","","","","0.1959","","","","","","1.061","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221736","8.7038","0.0004","9.2191","0.0004","10.0892","0.0005","110.554","0.003","110.343","0.002","97.368","0.003","681.26","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.3279","0.0987","","","0.2117","0.3459","","","","","","0.879","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221737","8.572","0.0003","9.4914","0.0003","10.6283","0.0003","115.267","0.0012","98.1638","0.0014","102.707","0.0014","735.06","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0619","","","","0.2556","","","","","","1.134","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221738","8.4017","0.0002","10.0488","0.0003","10.0892","0.0003","95.1228","0.0012","102.045","0.0013","108.349","0.0012","779.59","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0566","","","","0.1945","","","","","","1.11","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221739","8.6252","0.0003","10.9509","0.0005","11.562","0.0007","94.067","0.004","93.088","0.004","112.605","0.004","1001.73","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.0652","0.0523","","","0.1508","0.1656","","","","","","1.036","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221741","16.2712","0.0004","16.2712","0.0004","17.2772","0.0008","90","","90","","120","","3961.3","0.2","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C51 H43 Co7 O43.5 -","- C51 H15 Co7 O43.5 -","- C102 H30 Co14 O87 -","2","0.333333","","Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng","[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels","CrystEngComm","2015","17","37","7034","","10.1039/C5CE01028D","","","0.71073","MoKα","","0.0538","0.0534","","","0.1566","0.1572","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221744","5.6561","0.0006","11.4126","0.0012","12.2064","0.0012","116.614","0.001","91.131","0.002","104.114","0.002","675.58","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl I N4 O2 S -","- C10 H11 Cl I N4 O2 S -","- C20 H22 Cl2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0708","0.0479","","","0.1082","0.1199","","","","","","1.035","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221745","5.7185","0.0003","11.644","0.0006","12.3493","0.0006","116.697","0.0006","91.7117","0.0006","104.17","0.0007","702.94","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Br I N4 O2 S -","- C10 H11 Br I N4 O2 S -","- C20 H22 Br2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0555","0.039","","","0.0892","0.0965","","","","","","0.983","","","","has coordinates,has disorder","171030","2020-10-21","18:00:00",""
"7221746","5.7078","0.0005","11.5383","0.001","12.198","0.001","62.864","0.001","79.418","0.0012","76.98","0.0012","693.5","0.1","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Br N4 O3 S -","- C11 H14 Br N4 O3 S -","- C22 H28 Br2 N8 O6 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0399","0.0357","","","0.0822","0.0848","","","","","","1.053","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221747","5.709","0.003","11.532","0.006","12.116","0.006","62.675","0.008","79.693","0.009","77.507","0.009","689","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","1","0.5","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.082","0.0551","","","0.1073","0.1182","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221748","5.7879","0.0014","11.983","0.003","12.568","0.003","61.725","0.003","87.456","0.002","76.227","0.002","743.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I2 N4 O2 S -","- C10 H11 I2 N4 O2 S -","- C20 H22 I4 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.065","0.0428","","","0.0873","0.0969","","","","","","1.028","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221749","8.0577","0.0009","10.8694","0.0012","11.7471","0.0013","84.291","0.002","74.23","0.002","85.792","0.002","984.05","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 I3 N4 O4 S -","- C12 H17 I3 N4 O4 S -","- C24 H34 I6 N8 O8 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.036","0.0312","","","0.0754","0.0788","","","","","","1.025","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221750","8.004","0.002","11.247","0.003","11.473","0.003","83.925","0.004","89.442","0.004","72.371","0.004","978.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I5 N4 O2 S -","- C10 H11 I5 N4 O2 S -","- C20 H22 I10 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0633","0.0475","","","0.1162","0.1252","","","","","","1.07","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221751","7.8759","0.0001","5.7834","0.0001","13.323","0.0002","90","","93.877","0.001","90","","605.467","0.016","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0324","0.0303","","","0.0826","0.0853","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221752","5.8912","0.0001","7.9258","0.0002","28.6878","0.0005","90","","90","","90","","1339.5","0.05","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0589","0.041","","","0.1358","0.1536","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221753","8.1459","0.0009","5.8321","0.0006","15.364","0.0012","90","","102.919","0.005","90","","711.43","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0845","0.0498","","","0.1366","0.1646","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221754","5.6809","0.0012","8.0485","0.0017","33.742","0.007","90","","90","","90","","1542.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0753","0.0505","","","0.1393","0.1551","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221755","8.067","0.002","5.7361","0.0015","17.495","0.005","90","","100.528","0.004","90","","795.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1394","0.0509","","","0.0782","0.0976","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221756","5.806","0.004","8.297","0.006","37.02","0.02","90","","90","","90","","1783","2","566","2","566","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1118","0.0694","","","0.2","0.2304","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221757","15.455","0.005","15.455","0.005","56.103","0.004","90","","90","","120","","11605","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Ce2(dipic)6(NO3)]?18H2O","","- C42 H79 Ce2 N7 Na6 O57 -","- C42 H18 Ce2 N7 Na6 O57 -","- C252 H108 Ce12 N42 Na36 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0579","0.055","","","0.172","0.1766","","","","","","1.055","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221758","15.4376","0.0016","15.4376","0.0016","56.468","0.005","90","","90","","120","","11654","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 O57 Pr2 -","- C42 H18 N7 Na6 O57 Pr2 -","- C252 H108 N42 Na36 O342 Pr12 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0757","0.0717","","","0.1955","0.1999","","","","","","1.097","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221759","15.403","0.0007","15.403","0.0007","56.461","0.005","90","","90","","120","","11600.9","1.3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 Nd2 O57 -","- C42 H18 N7 Na6 Nd2 O57 -","- C252 H108 N42 Na36 Nd12 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0733","0.0694","","","0.1882","0.1916","","","","","","1.066","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221760","15.4098","0.0006","15.4098","0.0006","55.88","0.004","90","","90","","120","","11491.6","1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","[Na6(H2O)12Ce2(dipic)6]?21H2O","","- C21 H45 Ce N3 Na3 O30 -","- C21 H9 Ce N3 Na3 O31.5 -","- C252 H108 Ce12 N36 Na36 O378 -","12","0.333333","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na–Ln–dipic system – encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.1121","0.1037","","","0.3783","0.4227","","","","","","2.066","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7221761","6.5261","0.0003","7.3488","0.0003","7.6401","0.0003","96.998","0.003","100.396","0.003","113.411","0.003","323.04","0.03","296","2","293","2","","","","","","","","5","P -1","-P 1","2","4-iodo-5-methylisoxazol-3-amine","4-iodo-5-methylisoxazol-3-amine","","- C4 H5 I N2 O -","- C4 H5 I N2 O -","- C8 H10 I2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0256","0.0219","","","0.0511","0.0531","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221762","6.9082","0.0003","12.2055","0.0007","14.282","0.0008","90","","90","","90","","1204.23","0.11","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-chloro-5-methylisoxazol-3-amine","4-chloro-5-methylisoxazol-3-amine","","- C4 H5 Cl N2 O -","- C4 H5 Cl N2 O -","- C32 H40 Cl8 N16 O8 -","8","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0557","0.0467","","","0.1322","0.1455","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221763","6.4176","0.0007","7.1023","0.0009","7.537","0.001","94.502","0.008","100.535","0.007","115.558","0.006","299.86","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-bromo-5-methylisoxazol-3-amine","4-bromo-5-methylisoxazol-3-amine","","- C4 H5 Br N2 O -","- C4 H5 Br N2 O -","- C8 H10 Br2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0331","0.0236","","","0.0575","0.061","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221777","45.2139","0.0005","20.4624","0.0002","28.0974","0.0003","90","","100.59","0.0012","90","","25552.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C928 H1040 Cl12 Dy16 F192 N76 O144 -","8","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0742","0.0593","","","0.1665","0.1802","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221778","12.1694","0.0004","19.7909","0.0005","21.6427","0.0006","66.933","0.003","75.128","0.003","87.379","0.002","4626.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C190 H145 Dy4 F36 N15 O28 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0432","0.0338","","","0.0849","0.0906","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221779","8.2376","0.0006","8.5362","0.0007","10.4219","0.0009","94.615","0.007","98.69","0.007","99.967","0.007","709.21","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0739","0.0476","","","0.1089","0.1295","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221785","8.2085","0.0012","9.8703","0.0014","17.3769","0.0019","83.411","0.01","82.267","0.01","73.463","0.013","1333","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu2 N4 O8 S2 -","- C26 H24 Cu2 N4 O8 S2 -","- C52 H48 Cu4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1579","0.0939","","","0.1892","0.2334","","","","","","1.033","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221786","8.2505","0.0008","10.2487","0.0011","16.795","0.002","86.545","0.006","86.59","0.006","75.057","0.005","1368.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag2 N4 O8 S2 -","- C26 H24 Ag2 N4 O8 S2 -","- C52 H48 Ag4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.0448","0.0327","","","0.0708","0.0774","","","","","","0.999","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221787","10.645","0.002","15.367","0.003","19.59","0.004","80.844","0.01","83.69","0.011","85.182","0.01","3137.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu4 N16 O18 S4 -","- C52 H40 Cu4 N16 O18 S4 -","- C104 H80 Cu8 N32 O36 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.119","0.0588","","","0.1407","0.1691","","","","","","1.021","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221788","7.0225","0.0007","13.2448","0.0014","19.1007","0.0018","71.555","0.004","79.412","0.002","74.632","0.002","1615.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Ag2 N8 O10 S2 -","- C26 H28 Ag2 N8 O10 S2 -","- C52 H56 Ag4 N16 O20 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.2282","0.0585","","","0.0638","0.0888","","","","","","0.973","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221789","7.399","0.003","18.503","0.006","12.632","0.005","90","","98.79","0.02","90","","1709.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 Ag N2 O5 S -","- C15 H12 Ag N2 O5 S -","- C60 H48 Ag4 N8 O20 S4 -","4","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.28","0.0931","","","0.208","0.286","","","","","","0.918","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221790","14.5639","0.0006","14.7235","0.0006","19.5511","0.0008","72.143","0.002","70.919","0.002","77.78","0.002","3742.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H82 Ag4 N8 O21 S4 -","- C64 H82 Ag4 N8 O21 S4 -","- C128 H164 Ag8 N16 O42 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1918","0.0589","","","0.1131","0.1507","","","","","","0.952","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221791","8.658","0.0006","10.2661","0.0007","13.9044","0.0009","76.212","0.001","72.962","0.001","72.097","0.001","1109.39","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Cl0 Co N10 O14 -","- C50 H36 Co N10 O14 -","- C50 H36 Co N10 O14 -","1","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0411","0.0342","","","0.0957","0.1007","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221792","7.2427","0.0004","25.0077","0.0014","15.4019","0.0008","90","","99.477","0.001","90","","2751.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl0 Co N5 O13 -","- C26 H23 Co N5 O13 -","- C104 H92 Co4 N20 O52 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0749","0.0559","","","0.1495","0.1631","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221793","10.0924","0.0006","11.0595","0.0007","13.9619","0.0008","66.831","0.001","83.421","0.001","71.279","0.001","1356.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl0 Co N4 O11 -","- C26 H26 Co N4 O11 -","- C52 H52 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0615","0.0412","","","0.0976","0.1072","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221794","10.0129","0.0019","10.724","0.002","13.961","0.003","73.385","0.003","73.609","0.004","64.888","0.003","1278.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl0 Co N4 O11 -","- C26 H24 Co N4 O11 -","- C52 H48 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0872","0.0685","","","0.1969","0.2136","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221795","9.9555","0.0006","16.481","0.001","16.1393","0.001","90","","100.673","0.001","90","","2602.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl0 Co N4 O9 -","- C27 H22 Co N4 O9 -","- C108 H88 Co4 N16 O36 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.055","0.0385","","","0.0986","0.1077","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221796","12.6867","0.0007","27.5595","0.0015","15.8184","0.0008","90","","90","","90","","5530.7","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co3 N8 O24 -","- C54 H42 Co3 N8 O22 -","- C216 H168 Co12 N32 O88 -","4","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0941","0.0783","","","0.1602","0.1676","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221797","14.5284","0.0019","15.754","0.002","16.91","0.002","90","","93.141","0.002","90","","3864.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N8 O44 Si W12 -","- C52 H52 N8 O44 Si W12 -","- C104 H104 N16 O88 Si2 W24 -","2","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0802","0.0544","","","0.1148","0.1299","","","","","","1.043","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221798","21.61","0.003","21.283","0.003","16.8259","0.0019","90","","99.207","0.002","90","","7639","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Al Co N8 O43 W12 -","- C52 H38 Al Co N8 O43 W12 -","- C208 H152 Al4 Co4 N32 O172 W48 -","4","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0913","0.073","","","0.167","0.1759","","","","","","1.069","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221799","18.53745","0.00008","18.53745","0.00008","18.53745","0.00008","90","","90","","90","","6370.15","0.05","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-praseodymium(iii)","","- C6 H6 F18 N3 O15 Pr S6 -","- C6 F18 N3 O15 Pr S6 -","- C48 F144 N24 O120 Pr8 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0542","0.0519","","","0.1233","0.1244","","","","","","1.185","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221800","15.5598","0.0015","15.5598","0.0015","8.2562","0.0009","90","","90","","120","","1731.1","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-lanthanum(iii)hemi(pentahydrate)","","- C6 H11 F18 La N3 O17.5 S6 -","- C6 F18 La N3 O17.52 S6 -","- C12 F36 La2 N6 O35.04 S12 -","2","0.333333","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.099","0.095","","","0.2136","0.2155","","","","","","1.187","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221801","18.4695","0.0002","18.4695","0.0002","18.4695","0.0002","90","","90","","90","","6300.36","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-neodinium(iii)","","- C6 H6 F18 N3 Nd O15 S6 -","- C6 H6 F18 N3 Nd O15 S6 -","- C48 H48 F144 N24 Nd8 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","x-ray","0.71073","MoKα","","0.0497","0.0439","","","0.1054","0.1099","","","","","","1.077","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221802","8.8946","0.0004","19.9678","0.001","18.779","0.0008","90","","98.166","0.005","90","","3301.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Heptaaqua-scandium(iii) tris(bis(trifluoromethylsulfonyl)imide) hydrate","","- C6 H16 F18 N3 O20 S6 Sc -","- C6 H16 F18 N3 O20 S6 Sc -","- C24 H64 F72 N12 O80 S24 Sc4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0402","0.0318","","","0.0695","0.0736","","","","","","1.046","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221803","12.9489","0.0003","18.4605","0.0005","12.9858","0.0003","90","","94.507","0.002","90","","3094.57","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-samarium(iii)","","- C6 H10 F18 N3 O17 S6 Sm -","- C6 H10 F18 N3 O17 S6 Sm -","- C24 H40 F72 N12 O68 S24 Sm4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0265","0.0222","","","0.0503","0.0527","","","","","","1.038","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221804","18.3973","0.0002","18.3973","0.0002","18.3973","0.0002","90","","90","","90","","6226.76","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-gadolinium(iii)","","- C6 H6 F18 Gd N3 O15 S6 -","- C6 H6 F18 Gd N3 O15 S6 -","- C48 H48 F144 Gd8 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0403","","","","","","1.06","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221805","12.8735","0.0006","18.3588","0.0009","12.9082","0.0006","90","","94.119","0.004","90","","3042.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-dysprosium(iii)","","- C6 H10 Dy F18 N3 O17 S6 -","- C6 H10 Dy F18 N3 O17 S6 -","- C24 H40 Dy4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0267","0.0222","","","0.0485","0.051","","","","","","1.041","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221806","18.51715","0.00013","18.51715","0.00013","18.51715","0.00013","90","","90","","90","","6349.25","0.08","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-cerium(iii)","","- C6 H6 Ce F18 N3 O15 S6 -","- C6 H6 Ce F18 N3 O15 S6 -","- C48 H48 Ce8 F144 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0361","0.0319","","","0.068","0.0705","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221807","12.9085","0.0003","18.369","0.0004","12.9307","0.0003","90","","94.275","0.002","90","","3057.55","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-terbium(iii)","","- C6 H10 F18 N3 O17 S6 Tb -","- C6 H10 F18 N3 O17 S6 Tb -","- C24 H40 F72 N12 O68 S24 Tb4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0246","0.02","","","0.0436","0.0454","","","","","","1.017","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221808","12.8788","0.0004","18.2797","0.0007","12.8814","0.0005","90","","94.524","0.003","90","","3023.1","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-erbium(iii)","","- C6 H10 Er F18 N3 O17 S6 -","- C6 H10 Er F18 N3 O17 S6 -","- C24 H40 Er4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0209","0.0173","","","0.0397","0.0411","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221809","12.437","0.0006","14.0606","0.0007","32.3952","0.0016","90","","90","","90","","5665","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 N0 Ni3 O22 -","- C50 H71 Ni3 O22 -","- C200 H284 Ni12 O88 -","4","1","","Lun, Hui-Jie; Cui, Sa-Sa; Li, Hai-Jiao; Ping, Qi; Song, Hao-Han; Li, Ya-Min; Ru, Yu; Bai, Yan-Long; Xiang, Sheng-Chang","A chiral coordination polymer with double coaxially nested helical chains exhibiting spin-canting antiferromagnetism","CrystEngComm","2015","17","37","7029","","10.1039/C5CE01378J","","","0.71073","MoKα","","0.0742","0.0618","","","0.1562","0.1622","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221817","7.4378","0.0004","8.9941","0.0004","9.8914","0.0005","75.2719","0.0017","72.7974","0.0017","82.7345","0.0017","610.39","0.05","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)zinc(II)nitrate","","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0463","0.0343","","","0.0736","0.0777","","","","","","1.04","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221818","8.0578","0.0006","8.3568","0.0006","10.1944","0.0006","79.288","0.005","69.725","0.006","82.953","0.006","631.44","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","di(N-4-pyridylnicotinamide)copper(II)acetate","","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","","0.71073","MoKα","","0.0403","0.0348","","","0.0768","0.081","","","","","","1.08","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221819","7.3668","0.0005","9.1365","0.0006","9.9565","0.0006","76.1428","0.0018","73.5323","0.0018","83.61","0.002","623.27","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)cadmium(II)nitrate","","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0595","0.0592","","","0.1492","0.1497","","","","","","1.072","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221820","16.3055","0.0003","22.8004","0.0004","15.2496","0.0003","90","","97.353","0.002","90","","5622.75","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquadi(N-4-pyridylnicotinamide)cadmium(II)acetate dihydrate","","- C26 H30 Cd N6 O9 -","- C26 H30 Cd N6 O9 -","- C208 H240 Cd8 N48 O72 -","8","2","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.057","0.0329","","","0.0608","0.0675","","","","","","1.023","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221826","16.9149","0.0012","9.1324","0.0009","18.185","0.002","90","","92.98","0.01","90","","2805.3","0.5","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cu Mn N2 O10 S4 -","- C36 H54 Cu2 Mn2 N4 O20 S8 -","- C72 H108 Cu4 Mn4 N8 O40 S16 -","2","0.5","","Kalisz, Marguerite; Cassaro, Rafael A. A.; Novak, Miguel A.; Andruh, Marius; Amorim, Helio S.; Vaz, Maria G. F.","A two-dimensional CuII‒MnIIheterometallic coordination polymer: structure determination using synchrotron X-ray powder diffraction and magnetic properties","CrystEngComm","2015","17","38","7423","","10.1039/C5CE01537E","powder diffraction","","","Synchrotron","","","","","","","","","6.6713","","","","","","","","has coordinates","171010","2020-10-21","18:00:00",""
"7221827","20.765","0.002","9.4741","0.0005","14.1307","0.0013","90","","101.612","0.008","90","","2723","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyt:phen","Cytosine:1,-10-phenanthroline","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1033","0.0644","","","0.1524","0.1684","","","","","","0.865","","","","has coordinates","171068","2020-10-21","18:00:00",""
"7221839","9.446","0.006","17.339","0.011","37.04","0.02","90","","90","","90","","6067","6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide THF solvate 11.I3.0.5THF","","- C28 H26 I3 N2 O0.5 S4 -","- C28 H26 I3 N2 O0.5 S4 -","- C224 H208 I24 N16 O4 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.6893","synchrotron","","0.1169","0.0763","","","0.1612","0.1774","","","","","","1.109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221840","9.4562","0.0016","9.5572","0.0014","53.944","0.009","89.206","0.005","87.608","0.003","60.661","0.005","4246","1.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide 11.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C156 H132 I18 N12 S24 -","6","6","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.1848","0.0846","","","0.1534","0.1872","","","","","","1.044","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221841","25.5744","0.0005","8.9609","0.0002","19.6079","0.0005","90","","123.59","0.001","90","","3743.2","0.15","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene triiodide THF solvate 12.I3.THF","","- C38 H34 I3 N2 O S4 -","- C38 H34 I3 N2 O S4 -","- C152 H136 I12 N8 O4 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0401","0.0359","","","0.0777","0.0806","","","","","","1.051","","","","has coordinates,has disorder","287888","2023-11-30","13:37:26",""
"7221842","26.3842","0.0014","9.0879","0.0002","19.4801","0.0009","90","","123.371","0.007","90","","3900.8","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide chlorobenzene solvate 12.I3.PhCl","","- C40 H31 Cl I3 N2 S4 -","- C40 H31 Cl I3 N2 S4 -","- C160 H124 Cl4 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0325","0.028","","","0.0662","0.0675","","","","","","1.055","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221843","25.601","0.002","8.9169","0.0005","19.5945","0.0012","90","","123.382","0.006","90","","3735.1","0.5","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM","","- C35 H28 Cl2 I3 N2 S4 -","- C35 H28 Cl2 I3 N2 S4 -","- C140 H112 Cl8 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0547","0.0495","","","0.1305","0.1335","","","","","","1.063","","","","has coordinates,has disorder","171014","2020-10-21","18:00:00",""
"7221844","9.484","0.01","19.551","0.014","30.639","0.003","90","","90","","90","","5681","7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenylethyl)-2,5-dihydropyrrolo)tetrathiafulvalene triiodide 13.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C208 H176 I24 N16 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.2909","0.1588","","","0.2564","0.3222","","","","","","1.059","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221845","5.8941","0.0005","7.5206","0.0008","15.7272","0.001","103.039","0.008","96.056","0.006","94.487","0.007","671.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0569","0.0341","","","0.0691","0.0709","","","","","","0.987","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221846","6.051","0.0003","7.5054","0.0004","15.6246","0.0014","102.512","0.006","96.5","0.006","94.693","0.005","684.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0754","0.0485","","","0.1011","0.104","","","","","","0.993","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221847","11.183","0.0003","29.7328","0.0007","17.7124","0.0005","90","","98.941","0.003","90","","5817.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.6 H58.4 Cu N10 O6.6 -","- C64.6 H57.8 Cu N10 O6.6 -","- C258.4 H231.2 Cu4 N40 O26.4 -","4","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0853","0.0667","","","0.1961","0.2058","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221848","11.534","0.001","15.8814","0.0008","16.7622","0.0014","71.888","0.006","87.185","0.007","87.131","0.006","2912.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl2 Cu N8 O9 -","- C64 H56 Cl2 Cu N8 O9 -","- C128 H112 Cl4 Cu2 N16 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0981","0.0504","","","0.1012","0.1103","","","","","","0.974","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221849","11.64037","0.00019","15.846","0.0004","17.0057","0.0003","70.7034","0.0019","86.7179","0.0016","88.1588","0.0016","2955.39","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H61 Cl2 Cu N9 O9 -","- C66 H59 Cl2 Cu N9 O9 -","- C132 H118 Cl4 Cu2 N18 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0496","0.035","","","0.0921","0.0951","","","","","","1.068","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221850","24.1698","0.0003","11.631","0.0002","21.9833","0.0003","90","","90","","90","","6179.92","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H65.2 Cl2 Cu N8 O10.6 -","- C67 H62 Cl2 Cu N8 O10.6 -","- C268 H248 Cl8 Cu4 N32 O42.4 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0488","0.0395","","","0.1036","0.1063","","","","","","0.994","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221851","11.0254","0.0004","22.5624","0.0006","14.028","0.0005","90","","93.327","0.003","90","","3483.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C136 H140 Cl3 Cu4 N17 O22 -","2","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0737","0.0584","","","0.1772","0.1846","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221852","30.1188","0.0008","34.473","0.0007","12.5536","0.0003","90","","90","","90","","13034.2","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H30.5 Cl2 Cu N4 O1.25 -","- C33 H30 Cl2 Cu N4 O1.25 -","- C528 H480 Cl32 Cu16 N64 O20 -","16","2","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0914","0.0535","","","0.1283","0.1361","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221853","16.2205","0.0007","17.8175","0.0006","26.7171","0.0006","73.031","0.003","84.929","0.003","68.555","0.004","6872.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37.2 Cl2 Cu N6 O0.6 -","- C45 H36 Cl2 Cu N6 O0.6 -","- C270 H216 Cl12 Cu6 N36 O3.6 -","6","3","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0655","0.0475","","","0.1425","0.1483","","","","","","0.952","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221854","24.1824","0.001","12.1343","0.0005","22.6611","0.0008","90","","109.241","0.004","90","","6278.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H58 Cl4 Cu N8 O10 -","- C63 H58 Cl4 Cu N8 O10 -","- C252 H232 Cl16 Cu4 N32 O40 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0535","0.0502","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221855","15.4267","0.0006","18.0947","0.0007","21.1309","0.0007","90","","90","","90","","5898.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cu N7 O6 -","- C32 H27 Cu N7 O6 -","- C256 H216 Cu8 N56 O48 -","8","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0879","0.0464","","","0.0964","0.1039","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221863","9.7805","0.0007","7.2405","0.0005","10.0361","0.0007","90","","108.917","0.002","90","","672.33","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F13 O5 Sr4 V3 -","- F13 O5 Sr4 V3 -","- F26 O10 Sr8 V6 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0398","0.0298","","","0.0576","0.0606","","","","","","1.03","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221864","10.1963","0.0007","7.3172","0.0005","13.9271","0.001","90","","99.057","0.002","90","","1026.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F18 O8 Pb7 V4 -","- F18 O8 Pb7 V4 -","- F36 O16 Pb14 V8 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0368","0.0306","","","0.0678","0.0703","","","","","","1.101","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221865","5.6675","0.0005","7.3492","0.0006","8.3152","0.0007","101.234","0.0012","108.995","0.0013","110.625","0.0012","287.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F5 O2 Pb2 V -","- F5 O2 Pb2 V -","- F10 O4 Pb4 V2 -","2","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0322","0.0305","","","0.0765","0.0771","","","","","","1.27","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221866","5.6675","0.0004","15.7931","0.0012","12.9995","0.0009","90","","92.019","0.002","90","","1162.83","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F6 O Pb2 V -","- F6 O Pb2 V -","- F48 O8 Pb16 V8 -","8","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0293","0.026","","","0.0564","0.0577","","","","","","1.096","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221871","5.329","0.0014","5.1935","0.0013","14.949","0.004","90","","99.833","0.005","90","","407.65","0.18","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_200K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0638","0.0474","","","0.0897","0.0979","","","","","","0.992","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221872","5.3191","0.0016","5.1827","0.0016","14.894","0.005","90","","99.704","0.005","90","","404.7","0.2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_150K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0918","0.0945","","","","","","1.062","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221873","5.3122","0.0002","5.177","0.0002","14.8307","0.0006","90","","99.493","0.002","90","","402.28","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_100K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0446","0.0369","","","0.0906","0.0952","","","","","","1.029","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221874","5.3426","0.0015","5.2051","0.0015","15.021","0.004","90","","100.003","0.006","90","","411.4","0.2","250","2","250","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_250K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0821","0.049","","","0.0855","0.1001","","","","","","1.008","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221875","5.359","0.004","5.224","0.004","15.101","0.013","90","","100.228","0.018","90","","416","0.6","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_300K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.1006","0.0525","","","0.1126","0.1344","","","","","","0.959","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221895","30.09","0.03","17.23","0.02","8.658","0.007","90","","90","","90","","4489","8","100","2","100","2","","","","","","","synthesis as described","5","C m c e","-C 2ac 2","64","","Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}","","- C18 H19 Cd N3 O6 -","- C18 H14 Cd N3 O6 -","- C144 H112 Cd8 N24 O48 -","8","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1623","0.1524","","","0.3267","0.3321","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221896","31.831","0.006","7.884","0.002","19.449","0.004","90","","107.912","0.007","90","","4644.3","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Poly{[(mu4-4,4'-azobenzenedicarboxylate-kO:k2O,O':kO'':k2O'',O''')(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')tetrakis(dimethylsulfoxide)dicadmium(II)]dimethylsulfoxide}","","- C38 H46 Cd2 N4 O13 S5 -","- C38 H40 Cd2 N4 O13 S5 -","- C152 H160 Cd8 N16 O52 S20 -","4","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1353","0.0695","","","0.1281","0.1455","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221897","10.7515","0.0007","10.7424","0.0007","11.0098","0.0008","95.683","0.002","96.94","0.002","96.596","0.002","1245.68","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO,O':kO'':kO'',O''')bis(dimethylformamide)tricadmium(II)]}","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.0193","0.0176","","","0.0425","0.0433","","","","","","1.068","","","","has coordinates","171088","2020-10-21","18:00:00",""
"7221898","6.981","0.001","26.778","0.004","13.66","0.002","90","","98.15","0.005","90","","2527.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Poly{[(mu3-4,4'-azobenzenedicarboxylate-kO:kO':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)zinc(II)]}","","- C20 H12 N5 O4 Zn -","- C20 H12 N5 O4 Zn -","- C80 H48 N20 O16 Zn4 -","4","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1002","0.0612","","","0.1436","0.156","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221899","16.945","0.005","16.958","0.005","17.88","0.005","83.348","0.007","73.542","0.007","65.791","0.007","4494","2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO':kO'':kO''')bis(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)trizinc(II)]}","","- C60 H36 N14.5 O12 Zn3 -","- C60 H36 N14.5 O12 Zn3 -","- C120 H72 N29 O24 Zn6 -","2","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.147","0.0916","","","0.2381","0.2653","","","","","","0.888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221912","15.5127","0.0013","8.2524","0.0005","17.957","0.002","90","","122.004","0.006","90","","1949.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0686","0.0402","","","0.0863","0.0951","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221913","15.518","0.0014","8.2664","0.0005","17.978","0.002","90","","121.982","0.007","90","","1956.1","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0738","0.0397","","","0.0818","0.0927","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221914","15.5225","0.0014","8.2788","0.0005","17.997","0.002","90","","121.964","0.007","90","","1962.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0786","0.0405","","","0.0814","0.0924","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221915","15.5304","0.0015","8.2953","0.0006","18.026","0.002","90","","121.942","0.008","90","","1970.6","0.4","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0868","0.0411","","","0.082","0.0956","","","","","","0.921","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221916","15.5367","0.0016","8.3081","0.0006","18.051","0.002","90","","121.906","0.008","90","","1978","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0926","0.0427","","","0.0815","0.0947","","","","","","0.888","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221917","15.5427","0.0016","8.3248","0.0006","18.084","0.002","90","","121.851","0.008","90","","1987.6","0.4","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1012","0.0427","","","0.0826","0.0983","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221918","15.5486","0.0017","8.337","0.0007","18.116","0.003","90","","121.807","0.008","90","","1995.7","0.5","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.111","0.0431","","","0.0829","0.1008","","","","","","0.863","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221919","15.5533","0.0018","8.3475","0.0007","18.151","0.003","90","","121.742","0.009","90","","2004.1","0.5","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1222","0.0449","","","0.0877","0.1081","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221920","11.482","0.003","6.0114","0.0013","19.382","0.005","90","","90","","90","","1337.8","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Isoxazolone-based single crystals with large second harmonic generation effect","CrystEngComm","2015","17","38","7316","","10.1039/C5CE01006C","","","0.71073","MoKα","","0.0403","0.0375","","","0.0868","0.0891","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221927","25.766","0.004","25.766","0.004","29.978","0.006","90","","90","","120","","17236","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H26 O9 S4 -","- C40 H24 O9 S4 -","- C720 H432 O162 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.136","0.0834","","","0.2569","0.2932","","","","","","0.989","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221928","37.589","0.003","37.589","0.003","10.681","0.0016","90","","90","","120","","13070","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O7 S4 -","- C30 H22 O7 S4 -","- C540 H396 O126 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.105","0.0802","","","0.2212","0.2377","","","","","","1.023","","","","has coordinates,has disorder","171094","2020-10-21","18:00:00",""
"7221929","36.329","0.005","36.329","0.005","11.8166","0.0016","90","","90","","120","","13506","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.17 H28.17 Cl0.51 O5 S4 -","- C31.1667 H28 Cl0.163333 O5 S4 -","- C561 H504 Cl2.94 O90 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.0827","0.0753","","","0.2209","0.2301","","","","","","1.12","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221930","36.0289","0.0013","36.0289","0.0013","12.2533","0.0013","90","","90","","120","","13774.8","1.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H28 O6 S4 -","- C32 H28 O6 S4 -","- C576 H504 O108 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.1244","0.0492","","","0.0804","0.0972","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221931","37.498","0.005","37.498","0.005","11.9203","0.0015","90","","90","","120","","14516","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H28 O7 S4 -","- C33 H28.01 O7.01 S4 -","- C594 H504.18 O126.18 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.103","0.0631","","","0.1616","0.2095","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221932","23.994","0.006","23.994","0.006","11.648","0.005","90","","90","","120","","5807","3","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C202 H166 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","1","0.0833333","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.2083","0.1262","","","0.3612","0.4332","","","","","","1.375","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221949","33.842","0.003","8.1803","0.0009","15.5183","0.0015","90","","111.285","0.011","90","","4003","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1157","0.0704","","","0.1893","0.2301","","","","","","1.025","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221950","33.698","0.002","8.1286","0.0006","15.4818","0.0009","90","","111.393","0.007","90","","3948.6","0.5","250","1","250","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.085","0.0556","","","0.1533","0.1709","","","","","","1.108","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221951","8.291","0.005","15.44","0.005","16.932","0.005","67.702","0.005","77.616","0.005","89.556","0.005","1952.3","1.5","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1351","0.0994","","","0.2773","0.3061","","","","","","1.055","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221952","8.1589","0.001","15.3909","0.0013","16.8655","0.0018","67.525","0.009","78.145","0.01","89.508","0.009","1909.5","0.4","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1232","0.0997","","","0.2765","0.2935","","","","","","1.052","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221953","5.982","0.0007","12.7479","0.0015","14.4154","0.0017","90","","95.467","0.003","90","","1094.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Fe2 N O -","- C28 H27 Fe2 N O -","- C56 H54 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0399","0.0375","","","0.0935","0.0949","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221954","15.228","0.0008","14.2504","0.0008","11.8362","0.0006","90","","110.265","0.001","90","","2409.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0424","0.0355","","","0.0926","0.098","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221955","12.7933","0.0006","13.4321","0.0007","15.0676","0.0008","107.118","0.001","91.053","0.001","93.358","0.001","2468.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","2","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0772","0.062","","","0.1591","0.1694","","","","","","1.021","","","","has coordinates,has disorder","171027","2020-10-21","18:00:00",""
"7221956","6.012","0.003","12.956","0.006","14.4","0.007","90","","94.957","0.008","90","","1117.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N O -","- C29 H29 Fe2 N O -","- C58 H58 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0869","0.0556","","","0.1193","0.1331","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221957","29.902","0.004","7.6059","0.0011","28.606","0.005","90","","110.776","0.003","90","","6082.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 B F4 Fe2 N O -","- C34 H32 B F4 Fe2 N O -","- C272 H256 B8 F32 Fe16 N8 O8 -","8","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0923","0.0663","","","0.162","0.1765","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221958","9.6738","0.0002","22.7931","0.0005","30.9469","0.0006","90","","90","","90","","6823.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C66 H80 O32 -","- C66 H80 O32 -","- C264 H320 O128 -","4","1","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0629","0.0479","","","0.1138","0.1241","","","","","","1.026","","","","has coordinates,has disorder","171029","2020-10-21","18:00:00",""
"7221959","9.8352","0.0006","22.9018","0.0013","31.1702","0.0016","90","","90","","90","","7020.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C34.5 H43 O15.5 -","- C34.5 H43 O15.5 -","- C276 H344 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1096","0.0596","","","0.1369","0.1596","","","","","","1.033","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221960","9.7888","0.0002","22.9845","0.0006","31.9792","0.0006","90","","90","","90","","7195","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O17 -","- C37 H46 O17 -","- C296 H368 O136 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.0987","0.0595","","","0.138","0.165","","","","","","1.009","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7221961","9.822","0.0008","22.9864","0.0017","31.274","0.003","90","","90","","90","","7060.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35 H46 O16 -","- C35 H46 O16 -","- C280 H368 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1603","0.0676","","","0.1352","0.1743","","","","","","0.985","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221962","9.74","0.0003","22.9011","0.0007","31.3079","0.0009","90","","90","","90","","6983.4","0.4","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O16 -","- C36 H48 O16 -","- C288 H384 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0631","0.051","","","0.1376","0.1462","","","","","","1.028","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221963","9.849","0.0004","23.0547","0.001","31.6595","0.0015","90","","90","","90","","7188.8","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C36 H48 O16 -","- C36 H47.5 O16 -","- C288 H380 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1178","0.0674","","","0.1597","0.1853","","","","","","1.082","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221964","9.8572","0.0002","23.1109","0.0004","31.842","0.0005","90","","90","","90","","7253.9","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C37 H50 O16 -","- C37 H50 O16 -","- C296 H400 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0796","0.0637","","","0.163","0.175","","","","","","1.047","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221965","9.7994","0.0007","23.0446","0.0016","31.541","0.002","90","","90","","90","","7122.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H47 O15.5 -","- C35.5 H44.5 O15.5 -","- C284 H356 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1952","0.0926","","","0.1747","0.2247","","","","","","1.046","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221966","9.8881","0.0013","22.984","0.003","31.311","0.004","90","","90","","90","","7116","1.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H46 O15.5 -","- C35.5 H45 O15.5 -","- C284 H360 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1265","0.066","","","0.1572","0.191","","","","","","0.993","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221973","7.6584","0.0007","10.2121","0.0008","13.1295","0.0011","108.228","0.006","97.789","0.007","92.502","0.007","962.26","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N2 O S -","- C21 H28 N2 O S -","- C42 H56 N4 O2 S2 -","2","1","","Saeed, Aamer; Bolte, Michael; Erben, Mauricio F.; Pérez, Hiram","Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis","CrystEngComm","2015","17","39","7551","","10.1039/C5CE01373A","","","0.71073","MoKα","","0.0434","0.0409","","","0.1064","0.1084","","","","","","1.054","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7221974","12.5435","0.0003","9.656","0.0002","16.5414","0.0004","90","","90","","90","","2003.49","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0551","0.0326","","","0.0784","0.0882","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221975","8.459","0.0001","8.459","0.0001","27.3117","0.0005","90","","90","","90","","1954.28","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0456","0.0317","","","0.0555","0.0585","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221976","9.6919","0.0001","16.6752","0.0002","12.9961","0.0002","90","","90","","90","","2100.36","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0534","0.0321","","","0.0768","0.0858","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221977","8.5784","0.0001","8.5784","0.0001","27.9769","0.0005","90","","90","","90","","2058.79","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0527","0.0291","","","0.0461","0.0512","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221983","18.816","0.004","18.816","0.004","21.441","0.005","90","","90","","120","","6574","3","104","","104","","","","","","","","","6","R 3","R 3","146","","","","- C57 H60 N6 O55 S3 Zn9 -","- C57 H60 N6 O55 S3 Zn9 -","- C171 H180 N18 O165 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0394","0.0383","","","0.1085","0.109","","","","","","1.071","","","","has coordinates,has disorder","173745","2020-10-21","18:00:00",""
"7221984","18.798","0.019","18.798","","21.57","0.02","90","","90","","120","","6601","9","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O51.2 S3 Zn9 -","- C57 H54 N6 O52.21 S3 Zn9 -","- C171 H162 N18 O156.63 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0608","0.0519","","","0.1465","0.1524","","","","","","1.081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221985","18.795","0.018","18.795","","21.47","0.02","90","","90","","120","","6568","9","323","","323","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O48.96 S3 Zn9 -","- C57 H54 N6 O48.96 S3 Zn9 -","- C171 H162 N18 O146.88 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0539","0.0482","","","0.1347","0.1372","","","","","","1.066","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221986","18.889","0.019","18.889","0.019","21.67","0.02","90","","90","","120","","6696","11","373","","373","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0635","0.0508","","","0.1377","0.1473","","","","","","1.024","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221987","18.723","0.005","18.723","0.005","21.353","0.006","90","","90","","120","","6482","3","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.088","0.0556","","","0.1379","0.159","","","","","","0.911","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221988","18.815","0.005","18.815","0.005","21.425","0.006","90","","90","","120","","6568","3","298","2","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O50.95 S3 Zn9 -","- C57 H42 N6 O50.952 S3 Zn9 -","- C171 H126 N18 O152.856 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0738","0.061","","","0.1578","0.1654","","","","","","1.099","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221991","26.0119","0.0001","26.0119","0.0001","26.0119","0.0001","90","","90","","90","","17600.1","0.12","293","2","293","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C162 H98 O58 Zn9 -","- C162 H71.4 O58 Zn9 -","- C648 H285.6 O232 Zn36 -","4","0.166667","","Zhong, Ruiqin; Liu, Jia; Huang, Xing; Yu, Xiaofeng; Sun, Changyu; Chen, Guangjin; Zou, Ruqiang","Experimental and theoretical investigation of a stable zinc-based metal‒organic framework for CO2removal from syngas","CrystEngComm","2015","17","43","8221","","10.1039/C5CE01320H","","","1.54178","CuKα","","0.1165","0.076","","","0.2333","0.2652","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221992","15.103","0.0007","3.913","0.0003","23.4694","0.0012","90","","101.363","0.009","90","","1359.81","0.15","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0339","0.0333","","","0.091","0.092","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221993","15.7972","0.0007","9.2961","0.0004","21.2681","0.001","90","","106.516","0.002","90","","2994.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride hemihydrate","","- C30 H26 Cl2 N10 O5 -","- C30 H26 Cl2 N10 O5 -","- C120 H104 Cl8 N40 O20 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0459","0.0452","","","0.1265","0.1271","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221994","7.6745","0.0005","12.8403","0.0011","12.6474","0.0011","90","","91.174","0.006","90","","1246.05","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0309","0.0304","","","0.0803","0.0808","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221995","7.9151","0.0008","14.3022","0.0011","12.8292","0.0009","90","","105.157","0.009","90","","1401.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride","","- C15 H12 Cl N5 O2 -","- C15 H12 Cl N5 O2 -","- C60 H48 Cl4 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0255","0.0254","","","0.0715","0.0716","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221996","14.1361","0.0009","3.7858","0.0003","24.2876","0.0015","90","","94.009","0.006","90","","1296.61","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0363","0.0328","","","0.0891","0.0929","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221997","7.6948","0.0008","7.7883","0.0008","23.7516","0.0019","85.64","0.004","84.706","0.005","61.897","0.004","1249.4","0.2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","3-(3-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","2","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0932","0.0689","","","0.1906","0.2052","","","","","","1.063","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7221998","6.8464","0.0007","13.9346","0.0011","16.3696","0.0014","90","","95.459","0.007","90","","1554.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C31 H28 Cl2 N10 O5 -","- C31 H28 Cl2 N10 O5 -","- C62 H56 Cl4 N20 O10 -","2","0.5","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0278","0.0278","","","0.0748","0.0748","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221999","14.9193","0.0004","3.8014","0.0001","23.8964","0.0007","90","","107.195","0.001","90","","1294.69","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0351","0.033","","","0.0957","0.0979","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222000","7.0341","0.0009","7.376","0.0009","12.4146","0.0011","79.762","0.006","79.663","0.009","78.553","0.009","614.27","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C30 H18 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0381","0.0357","","","0.0978","0.1017","","","","","","1.074","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222001","7.7747","0.0005","9.9551","0.0006","12.0764","0.0009","99.836","0.004","102.862","0.004","91.51","0.005","895.82","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C36 H36 Cl2 N10 O6 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0283","0.0283","","","0.079","0.079","","","","","","1.058","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222002","6.9683","0.0012","7.625","0.0017","14.408","0.003","75.576","0.014","87.07","0.02","68.757","0.017","690.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-[2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-a]phthalazine","","- C17 H11 N5 O2 -","- C17 H11 N5 O2 -","- C34 H22 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0362","0.0348","","","0.0959","0.0991","","","","","","1.056","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222003","12.3783","0.0008","13.7779","0.0009","19.8004","0.0012","90","","90","","90","","3376.9","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H19 Cl N4 O -","- C18 H19 Cl N4 O -","- C144 H152 Cl8 N32 O8 -","8","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0307","0.0307","","","0.0819","0.082","","","","","","1.075","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222004","12.7373","0.0009","4.8963","0.0005","22.33","0.0016","90","","95.249","0.009","90","","1386.8","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0329","0.0315","","","0.086","0.0874","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222005","10.636","0.0003","4.7798","0.0001","23.0987","0.0009","90","","96.131","0.002","90","","1167.57","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-bipyridyl","","","- C30 H20 N2 O6 -","- C30 H20 N2 O6 -","- C60 H40 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0634","0.039","","","0.092","0.096","","","","","","0.905","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222006","3.8157","0.0001","28.0772","0.0007","11.2326","0.0003","90","","96.542","0.002","90","","1195.56","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-ethylenebipyridine","","","- C32 H22 N2 O6 -","- C32 H22 N2 O6 -","- C64 H44 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.1185","0.0578","","","0.1227","0.1408","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222007","22.5402","0.0009","50.511","0.002","4.6451","0.0002","90","","90","","90","","5288.6","0.4","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","lawsone-trimethylenebipyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C264 H208 N16 O48 -","8","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0293","0.0261","","","0.063","0.0652","","","","","","1.083","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222008","13.6937","0.0012","5.1534","0.0003","17.5288","0.0012","90","","92.329","0.007","90","","1235.97","0.16","299.3","0.6","299.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-hydroxypyridine","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0748","0.0445","","","0.1047","0.1242","","","","","","1.014","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222020","8.494","0.0009","31.934","0.004","10.1921","0.0011","90","","106.524","0.002","90","","2650.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O8 S Zn -","- C26 H18 N4 O8 S Zn -","- C104 H72 N16 O32 S4 Zn4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0666","0.0476","","","0.1281","0.1409","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222021","9.8185","0.0007","11.7979","0.0008","12.0667","0.0008","92.113","0.001","96.599","0.001","103.681","0.001","1346.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0482","0.0379","","","0.1084","0.1243","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222022","9.796","0.002","12.414","0.003","12.664","0.003","87.546","0.004","89.132","0.004","84.732","0.004","1532","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0724","0.0432","","","0.1095","0.1372","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222023","24.0679","0.0011","17.2213","0.0007","14.2795","0.0006","90","","90.854","0.001","90","","5917.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N4 O8 S Zn -","- C32 H22 N4 O8 S Zn -","- C256 H176 N32 O64 S8 Zn8 -","8","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0719","0.0418","","","0.1129","0.1414","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222024","14.2687","0.0007","15.7567","0.0007","16.2206","0.0007","67.915","0.001","79.632","0.001","73.899","0.001","3234.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 N8 O21 S4 Zn2 -","- C64 H48 N8 O21 S4 Zn2 -","- C128 H96 N16 O42 S8 Zn4 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0651","0.0434","","","0.1198","0.1359","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222025","22.7246","0.0008","18.9485","0.0007","13.5373","0.0005","90","","93.8","0.001","90","","5816.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd2 N8 O15 S2 -","- C64 H44 Cd2 N8 O15 S2 -","- C256 H176 Cd8 N32 O60 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.054","0.0392","","","0.1183","0.141","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222026","20.327","0.009","10.439","0.005","28.387","0.012","90","","103.948","0.008","90","","5846","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cd2 N8 O16 S2 -","- C60 H40 Cd2 N8 O16 S2 -","- C240 H160 Cd8 N32 O64 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0814","0.0441","","","0.1138","0.1396","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222027","10.8259","0.0006","19.6449","0.001","16.287","0.0009","90","","90.987","0.001","90","","3463.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cd N5 O8 S -","- C33 H27 Cd N5 O8 S -","- C132 H108 Cd4 N20 O32 S4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0628","0.04","","","0.1065","0.122","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222028","6.0695","0.0004","8.3911","0.0007","26.115","0.006","89.456","0.012","84.079","0.012","76.113","0.006","1284.1","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.1794","0.0858","","","0.1863","0.237","","","","","","1.02","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222029","6.0634","0.0005","8.424","0.0008","26.071","0.006","89.426","0.014","83.996","0.013","76.122","0.008","1285.5","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.803 N O3 -","- C60 H73.606 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2094","0.0987","","","0.2188","0.2827","","","","","","1.05","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222030","6.0554","0.0004","8.459","0.0004","25.964","0.006","89.446","0.009","83.899","0.011","76.113","0.005","1283.6","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.711 N O3 -","- C60 H73.422 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2241","0.1087","","","0.2639","0.3392","","","","","","1.048","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222031","6.0463","0.0007","8.5062","0.0007","25.806","0.007","89.348","0.014","83.848","0.017","76.058","0.009","1280.6","0.4","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.62 N O3 -","- C60 H73.24 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2813","0.1244","","","0.2994","0.3968","","","","","","1.127","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222032","6.035","0.0015","8.5245","0.0015","25.662","0.009","89.33","0.03","84.02","0.04","76.051","0.018","1274.2","0.6","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.59 N O3 -","- C60 H73.18 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2888","0.1362","","","0.3416","0.426","","","","","","1.214","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222033","5.8708","0.001","8.2465","0.0009","25.906","0.009","90.242","0.018","83.83","0.03","75.925","0.012","1208.9","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2353","0.1118","","","0.2701","0.3629","","","","","","1.023","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222034","5.8654","0.0012","8.2731","0.001","25.827","0.009","90.2","0.019","83.68","0.03","75.915","0.015","1207.6","0.5","299","2","299","2","","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.83 N O3 -","- C60 H73.66 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2835","0.1415","","","0.324","0.4244","","","","","","1.234","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222035","5.8605","0.0014","8.2848","0.001","25.791","0.009","90.17","0.02","83.63","0.04","75.954","0.016","1206.7","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.78 N O3 -","- C60 H73.56 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.299","0.1408","","","0.3361","0.4385","","","","","","1.223","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222053","11.0915","0.0002","13.6907","0.0004","15.0334","0.0004","90","","91.931","0.002","90","","2281.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","4","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.0914","0.0469","","","0.1027","0.1276","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222054","36.07","0.002","21.17","0.0012","17.8547","0.0011","90","","91.22","0.004","90","","13630.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N12 O12 Zn3 -","- C84 H54 N12 O12 Zn3 -","- C336 H216 N48 O48 Zn12 -","4","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.1215","0.0715","","","0.2087","0.2226","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222059","16.177","0.003","7.5746","0.0013","19.698","0.004","90","","107.485","0.009","90","","2302.2","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0609","","","0.1743","0.1852","","","","","","1.205","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222060","16.337","0.013","7.599","0.006","19.883","0.015","90","","107.782","0.009","90","","2350","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1763","0.0974","","","0.2147","0.2727","","","","","","1.143","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222061","9.117","0.006","11.604","0.008","18.108","0.012","90","","92.885","0.008","90","","1913","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0573","0.0524","","","0.1547","0.1589","","","","","","1.139","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222062","7.6951","0.001","20.299","0.002","9.089","0.001","90","","92.677","0.006","90","","1418.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0607","0.0522","","","0.1512","0.1697","","","","","","1.114","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222063","11.3265","0.001","12.443","0.0011","21.1449","0.0019","90","","90","","90","","2980.1","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1184","0.123","","","","","","1.16","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222064","7.9","0.004","22.159","0.011","8.964","0.005","90","","106.54","0.005","90","","1504.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0553","0.0484","","","0.1366","0.1492","","","","","","1.1","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222065","7.842","0.002","21.894","0.004","9.26","0.003","90","","106.278","0.012","90","","1526.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0736","0.0632","","","0.1757","0.1915","","","","","","1.14","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222066","7.986","0.005","16.748","0.01","8.276","0.005","90","","90.474","0.008","90","","1106.9","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0541","0.0488","","","0.1445","0.1559","","","","","","1.125","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222067","7.718","0.005","18.754","0.011","9.201","0.006","90","","96.278","0.008","90","","1323.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.06","0.054","","","0.1501","0.156","","","","","","1.086","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222068","20.478","0.004","7.1225","0.0013","12.93","0.003","90","","94.578","0.009","90","","1879.9","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0734","0.0652","","","0.1793","0.1948","","","","","","1.061","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222069","7.821","0.003","22.849","0.008","8.387","0.003","90","","91.286","0.015","90","","1498.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0623","0.0546","","","0.1524","0.1691","","","","","","1.096","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222070","9.0198","0.0015","10.7769","0.0018","14.653","0.002","90","","90","","90","","1424.4","0.4","150","2","150","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0889","0.056","","","0.1133","0.1282","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222071","17.8576","0.0019","9.9354","0.001","18.732","0.002","90","","105.457","0.004","90","","3203.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.12","0.0796","","","0.2029","0.2461","","","","","","1.116","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222072","8.139","0.002","12.331","0.004","16.793","0.005","90","","98.031","0.013","90","","1668.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0799","0.0662","","","0.1964","0.2119","","","","","","1.088","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222073","18.468","0.003","7.2386","0.0011","11.831","0.002","90","","91.866","0.01","90","","1580.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0779","0.0663","","","0.1852","0.2005","","","","","","1.059","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222074","7.656","0.007","22.46","0.02","8.94","0.008","90","","91.516","0.014","90","","1537","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0926","0.0721","","","0.1997","0.224","","","","","","1.149","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222075","7.742","0.004","22.159","0.011","9.1","0.005","90","","93.63","0.005","90","","1558","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0613","0.0503","","","0.1427","0.1623","","","","","","1.165","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222076","9.097","0.017","12.117","0.019","12.53","0.02","73.19","0.05","81.98","0.05","75.42","0.05","1276","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.2668","0.1231","","","0.2833","0.3809","","","","","","1.002","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222077","7.734","0.005","9.196","0.006","20.844","0.014","101.37","0.015","94.21","0.03","96.022","0.017","1438.6","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N4 O4 -","- C33 H34 N4 O4 -","- C66 H68 N8 O8 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1262","0.0729","","","0.1821","0.2307","","","","","","1.074","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222078","7.7071","0.0019","8.9632","0.0019","12.79","0.002","78.86","0.04","79.56","0.04","83.81","0.04","850.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0831","0.0632","","","0.1703","0.2029","","","","","","0.981","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222079","7.287","0.006","9.179","0.007","14.419","0.011","105.567","0.019","90.12","0.03","93.375","0.019","927.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C44 H46 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1177","0.0755","","","0.1922","0.2921","","","","","","0.949","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222080","7.635","0.005","9.055","0.008","17.237","0.013","96.22","0.03","94.09","0.02","113.734","0.015","1075.8","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O2 -","- C24 H28 N4 O2 -","- C48 H56 N8 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0586","","","0.1696","0.1865","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222081","19.0009","0.0019","5.2814","0.0009","25.611","0.005","90","","90","","90","","2570.1","0.7","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0699","0.0414","","","0.0822","0.0879","","","","","","0.846","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222082","19.139","0.003","5.314","0.0013","26","0.005","90","","90","","90","","2644.3","0.9","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1265","0.0996","","","0.2809","0.2945","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222083","4.8773","0.0005","13.7541","0.0014","20.395","0.0018","90","","90","","90","","1368.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1348","0.0382","","","0.071","0.083","","","","","","0.681","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222084","7.4681","0.0003","13.1048","0.0005","13.9995","0.0005","90","","90","","90","","1370.1","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0921","0.0705","","","0.2196","0.2302","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222085","12.8529","0.0005","13.5669","0.0004","14.6676","0.0005","90","","107.713","0.001","90","","2436.4","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0349","0.0263","","","0.0667","0.0715","","","","","","1.032","","","","has coordinates","173741","2020-10-21","18:00:00",""
"7222086","12.8561","0.0004","13.618","0.0004","14.6351","0.0005","90","","107.906","0.001","90","","2438.12","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19.09 Br N2 O4 S2 -","- C28 H19.094 Br N2 O4 S2 -","- C112 H76.376 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0526","0.0333","","","0.0756","0.0836","","","","","","1.02","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222087","12.865","0.0006","13.6783","0.0006","14.6129","0.0007","90","","108.152","0.002","90","","2443.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0554","0.0364","","","0.0906","0.1018","","","","","","1.042","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222088","12.8617","0.0008","13.7077","0.0008","14.5846","0.0009","90","","108.297","0.002","90","","2441.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1057","0.0696","","","0.1632","0.188","","","","","","1.062","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222089","12.8605","0.0014","13.7943","0.0015","14.5372","0.0016","90","","108.642","0.004","90","","2443.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1724","0.1032","","","0.2494","0.2982","","","","","","1.043","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222090","12.905","0.002","14.015","0.002","14.524","0.003","90","","109.18","0.004","90","","2481","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2358","0.1463","","","0.3412","0.4108","","","","","","1.039","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222091","12.8578","0.0011","14.1427","0.0012","14.4105","0.0013","90","","110.053","0.004","90","","2461.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2224","0.1038","","","0.2351","0.2969","","","","","","1.045","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222092","12.8049","0.001","14.1886","0.0009","14.4999","0.0011","90","","110.453","0.003","90","","2468.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1656","0.0781","","","0.1613","0.1988","","","","","","1.016","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222093","12.7386","0.0012","14.1989","0.0011","14.6254","0.0012","90","","110.594","0.004","90","","2476.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2066","0.1037","","","0.1538","0.1942","","","","","","1.04","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222094","12.6987","0.001","14.2111","0.0011","14.6928","0.0012","90","","110.648","0.003","90","","2481.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C27.997 H18.995 Br N1.999 O4 S2 -","- C111.988 H75.98 Br4 N7.996 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1621","0.083","","","0.1447","0.1747","","","","","","1.03","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222095","12.668","0.002","14.193","0.003","14.74","0.003","90","","110.608","0.005","90","","2480.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.0799","","","0.1465","0.1909","","","","","","1.019","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222096","12.683","0.0016","14.2527","0.0017","14.782","0.002","90","","110.713","0.004","90","","2499.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1588","0.0728","","","0.12","0.1482","","","","","","1.027","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222097","8.2573","0.0009","12.5878","0.0013","14.5411","0.0016","110.12","0.006","90.583","0.007","99.971","0.006","1393.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br Cl2 N2 O4 S2 -","- C29 H22 Br Cl2 N2 O4 S2 -","- C58 H44 Br2 Cl4 N4 O8 S4 -","2","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.1111","","","0.3219","0.3543","","","","","","1.075","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222098","12.7053","0.0008","23.1346","0.0014","8.5162","0.0005","90","","103.246","0.004","90","","2436.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1324","0.0664","","","0.1549","0.1709","","","","","","1.029","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222099","12.6357","0.001","14.2062","0.0011","14.7531","0.0012","90","","110.689","0.004","90","","2477.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1502","0.0907","","","0.1432","0.1663","","","","","","1.128","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222107","15.9547","0.0008","15.9547","0.0008","15.9547","0.0008","90","","90","","90","","4061.3","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Dy2 O23 P6 -","- C21 H33.9996 Dy2 O23 P6 -","- C84 H135.998 Dy8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0298","0.0243","","","0.0473","0.049","","","","","","1.057","","","","has coordinates,has disorder","171092","2020-10-21","18:00:00",""
"7222108","16.0668","0.0009","16.0668","0.0009","16.0668","0.0009","90","","90","","90","","4147.5","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Eu2 O23 P6 -","- C21 H33.9996 Eu2 O23 P6 -","- C84 H135.998 Eu8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.042","0.0351","","","0.0698","0.0731","","","","","","1.007","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222109","16.0416","0.0009","16.0416","0.0009","16.0416","0.0009","90","","90","","90","","4128","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Gd2 O23 P6 -","- C21 H33.9996 Gd2 O23 P6 -","- C84 H135.998 Gd8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0374","0.0279","","","0.0559","0.0595","","","","","","1.039","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222110","16.0134","0.0011","16.0134","0.0011","16.0134","0.0011","90","","90","","90","","4106.3","0.5","297","2","297","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 O23 P6 Tb2 -","- C21 H33.9996 O23 P6 Tb2 -","- C84 H135.998 O92 P24 Tb8 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0438","0.0348","","","0.0782","0.0868","","","","","","1.103","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222120","14.7932","0.0012","14.7382","0.0011","10.6919","0.0008","90","","112.289","0.001","90","","2156.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Ce N O12 -","- C21 H18 Ce N O12 -","- C84 H72 Ce4 N4 O48 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0358","0.0308","","","0.0741","0.078","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222121","9.3219","0.0006","10.5274","0.0006","11.1369","0.0007","64.34","0.001","80.881","0.001","82.009","0.001","969.64","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 N Nd O9 -","- C21 H12 N Nd O9 -","- C42 H24 N2 Nd2 O18 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0396","0.0353","","","0.0941","0.0966","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222122","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N O9 -","- C21 H12 Eu N O9 -","- C84 H48 Eu4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.032","0.0298","","","0.0854","0.087","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222123","9.4281","0.0006","10.5623","0.0007","11.1893","0.0007","64.0602","0.0009","80.8746","0.0009","82.0709","0.0008","986.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N O10.5 Sm -","- C21 H15 N O10.5 Sm -","- C42 H30 N2 O21 Sm2 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0267","0.024","","","0.0589","0.0605","","","","","","1.042","","","","has coordinates,has disorder","171037","2020-10-21","18:00:00",""
"7222124","17.72","0.04","12.11","0.02","9.324","0.019","90","","113.41","0.03","90","","1836","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H7 N O8 Tb -","- C21 H7 N O8 Tb -","- C84 H28 N4 O32 Tb4 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.1249","0.0812","","","0.1582","0.1752","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222125","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Er N O9 -","- C21 H12 Er N O9 -","- C84 H48 Er4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0399","0.0374","","","0.1113","0.1135","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222137","14.5012","0.0011","44.132","0.002","50.412","0.002","90","","90","","90","","32262","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 Eu N O8 -","- C16 H10 Eu N O8 -","- C512 H320 Eu32 N32 O256 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0642","0.0459","","","0.1039","0.1086","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222138","14.4927","0.0011","44.273","0.002","50.103","0.002","90","","90","","90","","32148","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 N O8 Tb -","- C16 H10 N O8 Tb -","- C512 H320 N32 O256 Tb32 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0561","0.0372","","","0.0878","0.0961","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222139","14.331","0.002","23.7137","0.0015","25.4868","0.0014","86.039","0.002","74.929","0.003","74.441","0.002","8057.1","1.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N4 Nd4 O32 -","- C64 H40 N4 Nd4 O32 -","- C128 H80 N8 Nd8 O64 -","2","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0619","0.045","","","0.1114","0.1165","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222140","11.7046","0.0009","14.5353","0.0011","28.585","0.002","85.514","0.001","78.994","0.001","66.817","0.001","4388.2","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 B Co2.5 N24 O46 W12 -","- C48 H54 B Co2.5 N24 O45 W12 -","- C96 H108 B2 Co5 N48 O90 W24 -","2","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.0555","0.042","","","0.0962","0.1011","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222141","39.245","0.008","15.242","0.003","23.514","0.005","90","","115.77","0.03","90","","12667","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Co N15 O43 P W12 -","- C30 H37 Co N15 O43 P W12 -","- C240 H296 Co8 N120 O344 P8 W96 -","8","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.074","0.0459","","","0.0898","0.0986","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222142","51.26","0.004","15.4783","0.001","24.3771","0.0016","90","","103.921","0.002","90","","18773","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H128 B2 Cu5 N60 O84 W24 -","- C120 H126 B2 Cu5 N60 O84 W24 -","- C480 H504 B8 Cu20 N240 O336 W96 -","4","0.5","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.1087","0.0866","","","0.1705","0.1822","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222239","12.2101","0.0002","17.3136","0.0003","20.6387","0.0004","90","","92.939","0.002","90","","4357.3","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cl2 Fe N10 O8 -","- C41 H48 Cl2 Fe N10 O8 -","- C164 H192 Cl8 Fe4 N40 O32 -","4","2","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0296","0.0282","","","0.0722","0.0727","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222240","15.7576","0.0002","21.7812","0.0002","40.7465","0.0006","90","","90","","90","","13985","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C123 H143 Cl6 Fe3 N29 O24 -","- C123 H143 Cl6 Fe3 N29 O24 -","- C492 H572 Cl24 Fe12 N116 O96 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0481","0.0442","","","0.1198","0.1221","","","","","","1.033","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222241","15.9981","0.0002","21.6984","0.0003","40.7994","0.0008","90","","90","","90","","14162.8","0.4","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C120 H140 Cl6 Fe3 N28 O25 -","- C120 H140 Cl6 Fe3 N28 O25 -","- C480 H560 Cl24 Fe12 N112 O100 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0665","0.0546","","","0.1311","0.1366","","","","","","1.046","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222242","14.91","0.003","35.478","0.007","7.4293","0.0015","90","","99.21","0.03","90","","3879.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N2 O10 -","- C41 H42 Cl2 N2 O10 -","- C164 H168 Cl8 N8 O40 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.061","0.043","","","0.0966","0.1068","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222243","6.6251","0.0013","34.49","0.007","8.4698","0.0017","90","","95.75","0.03","90","","1925.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O5 -","- C21 H20 Cl N O5 -","- C84 H80 Cl4 N4 O20 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0655","0.0424","","","0.0955","0.1065","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222244","5.7206","0.0011","13.677","0.003","9.6377","0.0019","90","","106.78","0.03","90","","722","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O6 -","- C14 H16 Cl N O6 -","- C28 H32 Cl2 N2 O12 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0369","0.033","","","0.0783","0.0807","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222245","15.035","0.003","7.2113","0.0014","11.025","0.002","90","","106.86","0.03","90","","1144","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl N O4 -","- C11 H13 Cl N O4 -","- C44 H52 Cl4 N4 O16 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0508","0.0353","","","0.0886","0.0979","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222246","6.1768","0.0012","7.5101","0.0015","19.092","0.004","79.43","0.03","82.9","0.03","84.25","0.03","861.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C36 H40 Cl2 N2 O8 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0484","0.0385","","","0.0985","0.1045","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222247","5.49","0.0011","13.4","0.003","28.91","0.006","90","","90.9","0.03","90","","2126.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N O6 S -","- C20 H28 Cl N O6 S -","- C80 H112 Cl4 N4 O24 S4 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.1152","0.068","","","0.1291","0.1444","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222248","11.8675","0.0004","15.6072","0.0004","12.2828","0.0004","90","","112.86","0.001","90","","2096.32","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Luditine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0818","0.0448","","","0.103","0.1192","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222249","11.8056","0.0014","15.6491","0.0019","12.2647","0.0015","90","","111.724","0.002","90","","2104.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1381","0.0706","","","0.1391","0.1653","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222250","9.78","0.002","11.388","0.002","11.566","0.002","115.12","0.03","101.58","0.03","104.11","0.03","1061.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(3,4-Lutidine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0842","0.0503","","","0.1284","0.1481","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222251","8.87","0.002","10.41","0.003","16.836","0.005","76.16","0.005","88.162","0.006","76.165","0.006","1465.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(9-10-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)anthracene).2(2,3-Lutidine)","","","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1439","0.0606","","","0.1323","0.1683","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222252","8.815","0.0018","10.541","0.002","16.794","0.003","75.3","0.03","88.23","0.03","76.92","0.03","1469.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C60 H58 O2, 0.72(C7 H9 N), 1.28(C6 H5 N), 1.28(C H3)","","","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1522","0.0739","","","0.1854","0.2235","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222253","10.964","0.002","14.24","0.003","20.271","0.004","109.78","0.03","97.99","0.03","95","0.03","2918.5","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1163","0.0702","","","0.1942","0.2256","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222254","7.745","0.0004","10.1392","0.0004","12.8039","0.0006","87.03","0.002","74.328","0.002","74.741","0.002","933.76","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0683","0.0425","","","0.1027","0.1151","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222255","7.6847","0.0003","10.8142","0.0005","12.3664","0.0005","77.867","0.002","77.131","0.002","70.639","0.002","934.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene.2(3,4-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0623","0.0407","","","0.0974","0.1075","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222263","18.134","0.002","13.8355","0.0016","9.3325","0.001","90","","90","","90","","2341.5","0.5","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H20 Co F4 N4 O5 -","- C20 H20 Co F4 N4 O5 -","- C80 H80 Co4 F16 N16 O20 -","4","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.068","0.0382","","","0.0714","0.0811","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222264","20.28","0.003","7.5025","0.0012","20.478","0.003","90","","99.022","0.003","90","","3077.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cd2 F8 N4 O8 -","- C28 H18 Cd2 F8 N4 O8 -","- C112 H72 Cd8 F32 N16 O32 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0967","0.0841","","","0.2181","0.2236","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222265","10.102","0.0018","9.3434","0.0017","11.929","0.002","90","","91.259","0.003","90","","1125.7","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 F4 N4 Ni O4 -","- C20 H18 F4 N4 Ni O4 -","- C40 H36 F8 N8 Ni2 O8 -","2","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0604","0.0541","","","0.156","0.1607","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222266","9.437","0.002","11.304","0.004","11.371","0.003","116.906","0.005","113.912","0.004","92.898","0.006","947.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0911","0.076","","","0.1932","0.2182","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222267","9.2303","0.0013","11.4497","0.0015","11.7396","0.0015","119.054","0.002","90.297","0.002","111.767","0.002","980.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.061","0.0522","","","0.1316","0.1411","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222268","8.908","0.004","12.428","0.005","32.131","0.013","93.525","0.007","95.154","0.007","92.39","0.007","3532","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cd3 F12 N12 O15 -","- C63 H66 Cd3 F12 N12 O15 -","- C126 H132 Cd6 F24 N24 O30 -","2","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0842","0.0545","","","0.1275","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222269","11.045","0.002","16.273","0.003","14.238","0.003","90","","111.342","0.003","90","","2383.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cd F4 N4 O5 -","- C21 H22 Cd F4 N4 O5 -","- C84 H88 Cd4 F16 N16 O20 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.1287","0.0747","","","0.1684","0.1967","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222270","5.678","0.001","5.6456","0.0007","32.491","0.012","90","","93.09","0.02","90","","1040","0.4","120","2","120","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.1305","0.0954","","","0.2314","0.2598","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222271","5.7123","0.0019","5.7076","0.0017","33.016","0.018","90","","93.68","0.05","90","","1074.2","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.2607","0.0769","","","0.1598","0.2016","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222284","27.0118","0.0002","27.0118","0.0002","25.0254","0.0003","90","","90","","120","","15813.2","0.3","298","2","298","2","","","","","","","Synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C60 H130 Cu3 N6 O32 -","- C60 H90 Cu3 N6 O32 -","- C360 H540 Cu18 N36 O192 -","6","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","1.54184","CuKα","","0.084","0.0829","","","0.233","0.235","","","","","","1.285","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222285","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","293","2","293","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C44 H82 Cu3 N4 O18.25 -","- C44 H66 Cu3 N4 O18.19 -","- C176 H264 Cu12 N16 O72.76 -","4","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","0.71073","MoKα","","0.133","0.0566","","","0.1169","0.1432","","","","","","0.94","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222296","9.3177","0.0004","9.3177","0.0004","9.3177","0.0004","90","","90","","90","","808.96","0.06","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","silver molybdate","disilver dioxido(dioxo)molybdenum","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Cunha, F. S.; Sczancoski, J. C.; Nogueira, I. C.; de Oliveira, V. G.; Lustosa, S. M. C.; Longo, E.; Cavalcante, L. S.","Structural, morphological and optical investigation of β-Ag2MoO4 microcrystals obtained with different polar solvents","CrystEngComm","2015","17","43","8207","","10.1039/C5CE01662B","powder diffraction","x-ray","1.5405","CuKα","","0.0854","0.0922","","","0.1273","","0.04395","","1.38","","","1.38","","","","has coordinates","265250","2021-05-15","21:31:22",""
"7222297","24.11298","","16.94684","","19.73992","","90","","90","","90","","8066.5","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C250.33 H239.03 Co24 N125.16 O93.65 -","- C250.304 H319 Co24 N125.152 O13.648 -","- C250.304 H319 Co24 N125.152 O13.648 -","1","0.0625","","Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu","Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems","CrystEngComm","2015","17","43","8212","","10.1039/C5CE01531F","","","","","","","","","","","","","","","","","","","","","has coordinates","209362","2020-10-21","18:00:00",""
"7222315","8.2775","0.0008","14.9469","0.0015","20.733","0.002","90","","98.852","0.002","90","","2534.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 Nd O9 S -","- C24 H17 N4 Nd O9 S -","- C96 H68 N16 Nd4 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0455","0.0388","","","0.1005","0.1044","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222316","8.2415","0.0008","14.9167","0.0015","20.773","0.002","90","","98.86","0.002","90","","2523.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 O9 S Sm -","- C24 H17 N4 O9 S Sm -","- C96 H68 N16 O36 S4 Sm4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0337","0.0267","","","0.0604","0.0636","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222317","8.2038","0.0009","14.8931","0.0017","20.772","0.002","90","","98.813","0.002","90","","2508","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Gd N4 O9 S -","- C24 H17 Gd N4 O9 S -","- C96 H68 Gd4 N16 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.04","0.0283","","","0.0608","0.0654","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222318","30.013","0.003","35.346","0.006","8.669","0.0009","90","","90","","90","","9196","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H17 N4 O7 S Yb -","- C24 H17 N4 O7 S Yb -","- C384 H272 N64 O112 S16 Yb16 -","16","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0254","0.0223","","","0.042","0.0432","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222319","9.07","0.0011","9.0825","0.0011","14.4882","0.0017","95.756","0.002","91.454","0.002","99.401","0.002","1170.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C48 H38 N8 O16 Pr2 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0317","0.0276","","","0.0596","0.0623","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222320","9.0064","0.0009","9.0831","0.001","14.4399","0.0014","95.147","0.002","91.28","0.002","99.076","0.001","1161","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Sm -","- C24 H19 N4 O8 S Sm -","- C48 H38 N8 O16 S2 Sm2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0265","0.0241","","","0.0552","0.057","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222321","8.9637","0.0011","9.0728","0.001","14.4541","0.0017","94.827","0.002","91.126","0.002","98.795","0.002","1156.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Gd N4 O8 S -","- C24 H19 Gd N4 O8 S -","- C48 H38 Gd2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0282","0.0246","","","0.0522","0.0543","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222322","8.9094","0.0014","9.0407","0.0014","14.458","0.002","94.501","0.002","91.024","0.003","98.578","0.003","1147.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Dy N4 O8 S -","- C24 H19 Dy N4 O8 S -","- C48 H38 Dy2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0449","0.0354","","","0.0678","0.0721","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222323","8.895","0.0014","9.0742","0.0014","14.465","0.002","94.25","0.002","91.157","0.003","97.971","0.002","1152.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Ho N4 O8 S -","- C24 H19 Ho N4 O8 S -","- C48 H38 Ho2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0444","0.0361","","","0.0692","0.0725","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222324","8.872","0.007","9.023","0.008","14.475","0.012","94.059","0.016","91.016","0.014","98.053","0.016","1144","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Er N4 O8 S -","- C24 H17 Er N4 O8 S -","- C48 H34 Er2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.18","0.0987","","","0.1945","0.236","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222325","8.8933","0.0019","9.0472","0.0019","14.467","0.003","94.285","0.004","90.906","0.004","98.511","0.004","1147.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Y -","- C24 H19 N4 O8 S Y -","- C48 H38 N8 O16 S2 Y2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0736","0.05","","","0.1063","0.1189","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222326","13.6008","0.0012","13.5013","0.0012","13.133","0.0012","90","","96.231","0.001","90","","2397.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C96 H76 N16 O32 Pr4 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0274","0.0216","","","0.0456","0.0475","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222327","17.9503","0.0015","11.2846","0.0006","9.2574","0.0005","90","","119.709","0.007","90","","1628.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H28 N6 O6 Zn -","- C36 H28 N6 O6 Zn -","- C72 H56 N12 O12 Zn2 -","2","0.25","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.087","0.0656","","","0.1461","0.1567","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222328","9.4863","0.0009","9.8132","0.0009","11.1496","0.0011","68.615","0.009","89.254","0.008","63.457","0.01","850.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","1","0.5","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0617","0.0516","","","0.1267","0.1334","","","","","","0.921","","","","has coordinates","171054","2020-10-21","18:00:00",""
"7222329","9.3515","0.0006","26.1628","0.0012","10.141","0.0006","90","","113.673","0.007","90","","2272.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N4 O7 Pb -","- C19 H19 N4 O7 Pb -","- C76 H76 N16 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0662","0.0505","","","0.1198","0.1316","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222330","12.7971","0.0009","11.8723","0.001","20.1498","0.0017","90","","121.569","0.006","90","","2608.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N6 O7 Pb -","- C25 H23 N6 O7 Pb -","- C100 H92 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0795","0.054","","","0.1161","0.1294","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222331","12.0677","0.0004","18.149","0.0004","12.1215","0.0004","90","","110.818","0.004","90","","2481.49","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O7 Pb -","- C24 H21.38 N6 O7 Pb -","- C96 H85.52 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0347","0.0269","","","0.0634","0.066","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222347","8.9739","0.0007","9.4407","0.0006","11.7436","0.0008","92.162","0.005","96.638","0.006","104.282","0.006","955.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0587","0.05","","","0.1235","0.1294","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222348","8.7304","0.0007","9.6666","0.0009","13.3193","0.001","96.972","0.007","100.487","0.006","104.709","0.007","1052.33","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0767","0.0575","","","0.1416","0.1574","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222349","10.1464","0.0011","14.2825","0.0014","15.3309","0.0017","111.046","0.01","97.101","0.009","101.812","0.009","1981.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C36 H43 Ag2 B2 F8 N9 -","- C36 H43 Ag2 B2 F8 N9 -","- C72 H86 Ag4 B4 F16 N18 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.1015","0.0575","","","0.1281","0.1592","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222350","10.037","0.0005","14.3332","0.0006","15.4185","0.0008","111.125","0.004","97.059","0.004","100.307","0.004","1992.81","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C37 H46 Ag2 B2 F8 N8 O -","- C37 H46 Ag2 B2 F8 N8 O -","- C74 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0745","0.0504","","","0.1197","0.1386","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222351","9.8865","0.0005","14.2717","0.0008","15.4908","0.0008","109.722","0.005","96.569","0.004","101.58","0.004","1975.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C36 H46 Ag2 B2 F8 N8 O -","- C36 H46 Ag2 B2 F8 N8 O -","- C72 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0882","0.0662","","","0.1768","0.1919","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222352","8.907","0.0004","9.6544","0.0004","12.2203","0.0005","92.845","0.002","103.284","0.002","101.842","0.002","995.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","1.54178","CuKα","","0.0471","0.0388","","","0.0895","0.0931","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222366","22.92","0.01","23.62","0.01","36.17","0.02","90","","90","","90","","19581","16","100","2","100","2","","","","","","","","4","P c a n","-P 2n 2c","60","","","","- C94.8 H137.2 N O23.8 -","- C86 H124 N O15 -","- C688 H992 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.9","","","0.1537","0.1118","","","0.2035","0.2162","","","","","","1.026","","","","has coordinates,has disorder","171039","2020-10-21","18:00:00",""
"7222367","22.59","0.01","16.93","0.01","25.77","0.02","90","","92.54","0.04","90","","9846","11","446","2","446","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92.5 H134.25 F8.25 N O17.75 -","- C92.5 H134.25 F8.25 N O17.75 -","- C370 H537 F33 N4 O71 -","4","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8856","","","0.1462","0.1187","","","0.3095","0.3476","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222368","22.509","0.001","22.972","0.002","35.249","0.002","90","","90","","90","","18226","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C89.1 H128.9 F3.9 K0.1 N O16.3 -","- C86.5 H123 K0.1 N O15 -","- C692 H984 K0.8 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8","","","0.1579","0.1251","","","0.3275","0.3592","","","","","","0.974","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222369","9.8448","0.0008","21.9422","0.0018","22.4274","0.0018","90","","90","","90","","4844.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C228 H216 O48 -","12","1.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0833","0.0544","","","0.1361","0.1472","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222370","10.5945","0.0016","12.9146","0.0019","15.642","0.002","91.073","0.002","94.126","0.002","93.942","0.002","2129","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","1","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0796","0.0489","","","0.1391","0.1754","","","","","","1.071","","","","has coordinates","171062","2020-10-21","18:00:00",""
"7222371","10.6479","0.0012","12.8941","0.0015","32.484","0.004","90","","90","","90","","4459.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cu O9 -","- C21 H30 Cu O9 -","- C168 H240 Cu8 O72 -","8","1","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0819","0.0806","","","0.1713","0.1719","","","","","","1.183","","","","has coordinates,has disorder","171062","2020-10-21","18:00:00",""
"7222372","31.962","0.002","31.962","0.002","12.6995","0.001","90","","90","","90","","12973.4","1.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H31 Cu N3 O4 -","- C34 H31 Cu N3 O4 -","- C544 H496 Cu16 N48 O64 -","16","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0394","0.0302","","","0.0837","0.0877","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222373","11.0623","0.0012","22.07","0.002","10.3481","0.0011","90","","108.293","0.002","90","","2398.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53 H47 Cu2 N3 O8 -","- C53 H47 Cu2 N3 O8 -","- C106 H94 Cu4 N6 O16 -","2","0.25","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0657","0.0481","","","0.1016","0.1076","","","","","","0.989","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222397","21.9124","0.0004","28.8956","0.0005","26.8085","0.0005","90","","108.904","0.0007","90","","16058.8","0.5","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H78.5 B2 Co Fe2 N6 O2 -","- C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25 -","- C818 H628 B16 Co8 Fe15.996 N48 O18 -","8","2","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1031","0.0787","","","0.1961","0.2126","","","","","","1.01","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222398","12.6886","","13.1123","","19.4242","","81.413","","75.481","","71.412","","2956.84","","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","1","0.5","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1921","0.0979","","","0.2596","0.3503","","","","","","1.071","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222437","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C46.25 H55.75 N20.38 Ni3 O12.38 -","- C30 H18 N15 Ni3 O7 -","- C240 H144 N120 Ni24 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0294","0.0289","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222438","23.57","0.003","23.57","0.003","23.57","0.003","90","","90","","90","","13094","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C38 H40 Co3 N18 O9 -","- C30 H18 Co3 N15 O7 -","- C240 H144 Co24 N120 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0762","0.0661","","","0.1594","0.1648","","","","","","1.04","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222439","4.92","0.001","15.711","0.003","18.775","0.004","90","","92.98","0.03","90","","1449.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Au Cl2 N2 O3 -","- C33 H29 Au Cl2 N2 O3 -","- C66 H58 Au2 Cl4 N4 O6 -","2","1","","Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah","Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions","CrystEngComm","2015","17","42","8153","","10.1039/C5CE01136A","","","0.85","","","0.0503","0.0502","","","0.1321","0.1323","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222443","18.0026","0.0005","18.0026","0.0005","13.3316","0.0002","90","","90","","120","","3741.82","0.16","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H72 Be12 N8 O54 P16 -","- C12 H60 Be12 N8 O48 P16 -","- C24 H120 Be24 N16 O96 P32 -","2","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen","An open-framework beryllium phosphite with extra-large 18-ring channels","CrystEngComm","2015","17","44","8414","","10.1039/C5CE01507C","","","0.71073","MoKα","","0.0929","0.0783","","","0.1518","0.1593","","","","","","1.228","","","","has coordinates","171044","2020-10-21","18:00:00",""
"7222446","20.803","0.002","9.503","0.0005","14.7247","0.0013","90","","100.224","0.008","90","","2864.7","0.4","393","2","393","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.3087","0.1192","","","0.2769","0.364","","","","","","0.735","","","","has coordinates","160724","2020-10-21","18:00:00",""
"7222447","20.798","0.002","9.502","0.0005","14.4536","0.0016","90","","100.8","0.009","90","","2805.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1417","0.0663","","","0.1522","0.1796","","","","","","0.815","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7222450","9.986","0.009","15.21","0.016","6.35","0.006","90","","99.09","0.03","90","","952.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Stare, Jernej; Kojić-Prodić, Biserka; Lecomte, Claude; Dahaoui, Slimane; Jelsch, Christian; Wenger, Emmanuel; Šantić, Ana; Zarychta, Bartosz","A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate","CrystEngComm","2015","17","45","8645","","10.1039/C5CE01037C","","","0.71073","MoKα","","0.0253","0.013","","","0.0262","0.0272","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222451","9.9843","0.0006","9.9843","0.0006","18.2816","0.0018","90","","90","","90","","1822.4","0.2","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 H6 In O8 -","- C16 H6 In O8 -","- C32 H12 In2 O16 -","2","0.125","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","0.71073","MoKα","","0.0805","0.0682","","","0.2076","0.2219","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222452","19.7244","0.0001","17.0814","0.0001","9.9554","0.0001","90","","90","","90","","3354.18","0.04","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","InOF-13","InOF-13","","- C22 H19 In N2 O8 -","- C22 H19 In N2 O8 -","- C88 H76 In4 N8 O32 -","4","1","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","1.54184","CuKα","","0.0424","0.0417","","","0.1155","0.1164","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222459","6.467","0.002","6.4665284","","6.4665284","","90","","90","","90","","270.42","0.08","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Sn Alpha","","","- Sn -","- Sn -","- Sn8 -","8","0.0416667","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:20",""
"7222460","5.8393","0.0007","5.8392763","","3.1876","0.0004","90","","90","","90","","108.689","0.019","","","","","","","","","","","","1","I 41/a m d :1","I 4bw 2bw -1bw","141","Sn Beta","","","- Sn -","- Sn -","- Sn4 -","4","0.125","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:31",""
"7222893","28.3363","0.0008","13.4618","0.0003","18.2577","0.0006","90","","106.78","0.003","90","","6668","0.3","100.02","0.1","100.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H66 Cd N4 O11.5 S2 -","- C69.5 H66 Cd N4 O11.5 S2 -","- C278 H264 Cd4 N16 O46 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.055","0.0513","","","0.1468","0.1522","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222894","28.4411","0.0008","13.5404","0.0003","18.3193","0.0005","90","","107.657","0.003","90","","6722.5","0.3","107","10","107","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Cd N4 O10 S2 -","- C75.998 H70 Cd N4 O10 S2 -","- C303.992 H280 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0547","0.0484","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222895","28.3542","0.0006","13.5093","0.0002","18.2748","0.0003","90","","107.387","0.002","90","","6680.2","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.041","0.0382","","","0.1158","0.118","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222896","28.4302","0.0006","13.5048","0.0002","18.2481","0.0004","90","","107.277","0.002","90","","6690.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0564","0.052","","","0.1562","0.1607","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222897","28.7379","0.0011","13.4646","0.0004","18.2108","0.0008","90","","108.003","0.004","90","","6701.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Cd N4 O10 S2 -","- C78 H74 Cd N4 O10 S2 -","- C312 H296 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0604","0.0527","","","0.1539","0.1597","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222998","15.3138","0.0007","23.0323","0.0006","14.3495","0.0006","90","","115.858","0.005","90","","4554.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Ag3 Co I5 N8 -","- C40 H30 Ag3 Co I5 N8 -","- C160 H120 Ag12 Co4 I20 N32 -","4","1","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0779","0.0504","","","0.1041","0.118","","","","","","1.044","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7222999","14.8002","0.0016","14.8002","0.0016","24.789","0.003","90","","90","","120","","4702.5","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C72 H50 Ag11 Co2 I15 N12 O -","- C72 H48 Ag11.0001 Co2 I15 N12 O -","- C144 H96 Ag22.0002 Co4 I30 N24 O2 -","2","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1406","0.1329","","","0.2941","0.2981","","","","","","1.288","","","","has coordinates,has disorder","173758","2020-10-21","18:00:00",""
"7223000","22.7105","0.0005","22.7105","0.0005","22.7105","0.0005","90","","90","","90","","11713.3","0.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H78 Ag13 Co2 I17 N12 O15 -","- C72 H48 Ag13 Co2 I17 N12 -","- C288 H192 Ag52 Co8 I68 N48 -","4","0.333333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1182","0.0675","","","0.1574","0.1784","","","","","","1.056","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223001","14.868","0.003","14.868","0.003","25.012","0.004","90","","90","","120","","4788.3","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.2204","0.1696","","","0.3761","0.4104","","","","","","1.033","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223002","22.9931","0.0002","22.9931","0.0002","22.9931","0.0002","90","","90","","90","","12156","0.18","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Cd2 I17 N12 O15 -","- C72 H48 Ag14 Cd2 I17 N12 -","- C288 H192 Ag56 Cd8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1121","0.082","","","0.2293","0.2676","","","","","","1.077","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223003","14.8402","0.0004","14.8402","0.0004","24.9918","0.0008","90","","90","","120","","4766.6","0.2","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0901","0.0724","","","0.2319","0.2486","","","","","","1.156","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223004","22.8119","0.0003","22.8119","0.0003","22.8119","0.0003","90","","90","","90","","11870.9","0.3","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Co2 I17 N12 O15 -","- C72 H48 Ag14 Co2 I17 N12 -","- C288 H192 Ag56 Co8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1064","0.074","","","0.2075","0.2366","","","","","","1.103","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223010","7.8996","0.0005","9.7188","0.0004","10.8839","0.0007","97.916","0.004","95.921","0.006","113.064","0.005","750.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.0348","","","0.0757","0.0812","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223011","10.1604","0.0006","11.2134","0.0006","12.1942","0.0007","102.647","0.005","95.448","0.004","107.156","0.005","1276.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N3 O6 -","- C29 H23 Cd N3 O6 -","- C58 H46 Cd2 N6 O12 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0551","0.0477","","","0.1242","0.1309","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223012","9.952","0.0003","12.9516","0.0004","13.4675","0.0005","90","","104.847","0.004","90","","1677.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0408","0.0326","","","0.0691","0.0724","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223013","24.0555","0.0009","7.792","0.0003","18.1219","0.0006","90","","100.783","0.003","90","","3336.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.032","","","0.0709","0.0766","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223014","22.12","0.006","17.647","0.004","25.391","0.006","90","","97.171","0.004","90","","9834","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 N8 O24 Zn4 -","- C88 H56 N8 O24 Zn4 -","- C352 H224 N32 O96 Zn16 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.099","0.0791","","","0.2501","0.2777","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223015","9.5144","0.0005","18.7601","0.0007","13.7258","0.0005","90","","92.244","0.004","90","","2448.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0344","0.0306","","","0.0715","0.0741","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223016","8.6783","0.0004","18.8256","0.0007","14.1402","0.0006","90","","91.928","0.004","90","","2308.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0495","0.0348","","","0.0732","0.0809","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223033","26.9021","0.001","17.0746","0.0006","27.7311","0.001","90","","119.295","0.001","90","","11109","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 Nd4 O40 -","- C98 H126 N6 Nd4 O40 -","- C392 H504 N24 Nd16 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0573","0.039","","","0.1003","0.1135","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223034","26.836","0.0016","16.9273","0.001","27.3958","0.0016","90","","118.806","0.001","90","","10904.9","1.1","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 O40 Sm4 -","- C98 H124 N6 O40 Sm4 -","- C392 H496 N24 O160 Sm16 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0394","0.0311","","","0.0918","0.0993","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223035","26.8066","0.0009","16.8139","0.0006","27.5667","0.001","90","","119.657","0.001","90","","10797.3","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 Gd4 N6 O40 -","- C98 H126 Gd4 N6 O40 -","- C392 H504 Gd16 N24 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0542","0.0377","","","0.1031","0.1204","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223036","12.7298","0.0008","12.941","0.0008","14.4839","0.0009","79.788","0.001","74.518","0.001","72.818","0.001","2184.2","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0605","0.043","","","0.113","0.1211","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223037","10.6807","0.0006","8.8299","0.0008","10.9759","0.0005","90","","94.604","0.005","90","","1031.79","0.12","295","2","295","2","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0349","0.0286","","","0.0621","0.0677","","","","","","1.114","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223038","10.6575","0.0005","8.7649","0.0009","10.9567","0.0005","90","","94.589","0.005","90","","1020.21","0.12","295","2","295","2","","","150000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0312","0.0271","","","0.0557","0.0578","","","","","","1.084","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223039","10.6184","0.0004","8.6082","0.0008","10.9307","0.0004","90","","94.591","0.004","90","","995.92","0.11","295","2","295","2","","","580000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0303","0.0266","","","0.0614","0.0634","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223040","10.6243","0.0005","8.403","0.0008","10.9113","0.0005","90","","94.483","0.004","90","","971.14","0.11","295","2","295","2","","","970000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.024","","","0.0531","0.0559","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223041","10.6792","0.0004","8.0977","0.0007","10.9004","0.0004","90","","94.192","0.004","90","","940.11","0.1","295","2","295","2","","","1610000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.027","0.0239","","","0.0507","0.0525","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223042","10.675","0.0005","7.8148","0.0008","10.8204","0.0004","90","","93.829","0.004","90","","900.66","0.11","295","2","295","2","","","2600000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0266","0.0231","","","0.0525","0.0551","","","","","","1.108","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223043","10.6557","0.0004","7.7006","0.0007","10.7594","0.0004","90","","93.693","0.004","90","","881.03","0.09","295","2","295","2","","","3300000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0292","0.0249","","","0.0492","0.0512","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223044","10.6379","0.0004","7.6361","0.0006","10.7112","0.0003","90","","93.601","0.003","90","","868.38","0.08","295","2","295","2","","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0247","0.0224","","","0.0487","0.0498","","","","","","1.08","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223045","10.6148","0.0004","7.568","0.0007","10.6476","0.0004","90","","93.508","0.003","90","","853.75","0.09","295","2","295","2","","","4400000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0265","0.024","","","0.0557","0.0575","","","","","","1.083","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223046","10.6023","0.0005","7.5308","0.0007","10.6049","0.0004","90","","93.439","0.004","90","","845.21","0.09","295","2","295","2","","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.0252","","","0.0586","0.0603","","","","","","1.07","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223047","10.5931","0.0004","7.4783","0.0007","10.5357","0.0004","90","","93.3","0.004","90","","833.24","0.09","295","2","295","2","","","5500000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0261","0.0232","","","0.0536","0.0564","","","","","","1.098","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223048","10.5914","0.0005","7.4435","0.0007","10.4601","0.0004","90","","93.121","0.004","90","","823.42","0.09","295","2","295","2","","","6010000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0281","0.0256","","","0.0603","0.0618","","","","","","1.089","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223049","10.7595","0.0005","7.439","0.0006","10.089","0.0004","90","","90","","90","","807.52","0.08","295","2","295","2","","","6850000","","","","","5","C m c m","-C 2c 2","63","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.25","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.029","0.027","","","0.0622","0.0637","","","","","","1.053","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223050","9.3753","0.0004","16.5379","0.0008","18.0472","0.0009","90","","101.094","0.001","90","","2745.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 N8 O8 Zn2 -","- C56 H42 N8 O8 Zn2 -","- C112 H84 N16 O16 Zn4 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0706","0.0476","","","0.128","0.1359","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223051","8.928","0.002","16.369","0.004","17.65","0.004","90","","99.023","0.004","90","","2547.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N4 O5 Zn -","- C28 H23 N4 O5 Zn -","- C112 H92 N16 O20 Zn4 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0866","0.0574","","","0.1738","0.1937","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223052","24.15","0.02","14.463","0.013","8.914","0.008","90","","90.251","0.016","90","","3113","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu N4 O8 -","- C36 H26 Cu N4 O8 -","- C144 H104 Cu4 N16 O32 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0914","0.0672","","","0.1812","0.2004","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223053","11.573","0.003","13.892","0.004","14.655","0.004","62.631","0.004","68.977","0.004","68.8","0.004","1897.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.083","0.0544","","","0.1395","0.1533","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223054","7.455","0.006","17.478","0.014","17.024","0.013","90","","101.686","0.013","90","","2172","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 Ni O5 -","- C25 H19 N4 Ni O4 -","- C100 H76 N16 Ni4 O16 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0931","0.0553","","","0.1341","0.1506","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223055","12.0561","0.0002","13.4846","0.0003","21.0459","0.0005","90","","97.4474","0.0009","90","","3392.6","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C146.4 H116.8 Cl4.8 N8 Ni4 P8 S8 -","4","1","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0922","0.0505","","","0.1151","0.1331","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223056","11.7944","0.0001","18.1645","0.0002","61.6538","0.0008","90","","90","","90","","13208.7","0.3","150","2","150","2","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C549.6 H459.2 Cl11.2 N32 Ni16 P32 S32 -","4","0.25","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0481","0.0346","","","0.0707","0.0758","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223093","5.453","0.0005","8.0998","0.0009","14.4067","0.0017","95.208","0.01","98.408","0.009","107.43","0.007","594.44","0.12","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","1","0.5","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0453","0.0369","","","0.0952","0.1024","","","","","","1.033","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223094","8.1058","0.0006","8.5966","0.0007","15.1429","0.0012","90.034","0.004","95.059","0.005","99.868","0.005","1035.4","0.14","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu4 O14 S -","- C12 H22 Cu4 O14 S -","- C24 H44 Cu8 O28 S2 -","2","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0577","0.0486","","","0.1291","0.1368","","","","","","0.928","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223095","16.769","0.012","6.45","0.004","10.595","0.007","90","","95.894","0.007","90","","1139.9","1.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 O6 S -","- C8 H12 Cu2 O6 S -","- C32 H48 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0887","0.0544","","","0.1071","0.1239","","","","","","1.083","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223096","15.493","0.004","6.449","0.0014","10.597","0.003","90","","97.476","0.007","90","","1049.8","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cu2 O6 S -","- C7 H10 Cu2 O6 S -","- C28 H40 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0523","0.0358","","","0.0779","0.0853","","","","","","1.013","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223097","16.394","0.003","13.578","0.003","18.261","0.003","90","","115.509","0.003","90","","3668.6","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Co2 N2 O12 -","- C41 H36 Co2 N2 O11.25 -","- C164 H144 Co8 N8 O45 -","4","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.1473","0.0656","","","0.1215","0.1376","","","","","","0.998","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223098","7.7565","0.0006","9.5643","0.0008","15.1895","0.0014","96.781","0.007","94.868","0.007","110.509","0.007","1038.34","0.16","298.5","0.4","298.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N2 O7 -","- C23 H20 Mn N2 O7 -","- C46 H40 Mn2 N4 O14 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.0887","0.0536","","","0.081","0.0983","","","","","","1.013","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223099","7.3524","0.0004","10.8982","0.0005","24.64","0.0014","90.393","0.004","90.391","0.004","98.794","0.004","1951.03","0.18","298.2","0.5","298.2","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O8 -","- C20 H19 Mn N2 O8 -","- C80 H76 Mn4 N8 O32 -","4","2","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71","MoKα","","0.1091","0.0635","","","0.1347","0.1597","","","","","","0.986","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223100","9.8337","0.0012","10.0529","0.0007","15.735","0.003","98.507","0.01","106.136","0.013","97.295","0.008","1454.5","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Co N4 O5 -","- C34 H27 Co N4 O5 -","- C68 H54 Co2 N8 O10 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","x-ray","0.71073","MoKα","","0.1731","0.0952","","","0.1686","0.2183","","","","","","1.019","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223101","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223102","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223103","6.9264","0.0014","9.7188","0.0019","9.951","0.002","64.11","0.03","71.29","0.03","76.17","0.03","566.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C30 H20 Cl2 -","1","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1607","0.0711","","","0.122","0.1454","","","","","","1.001","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223104","4.622","0.0009","27.568","0.006","9.282","0.0019","90","","103.74","0.03","90","","1148.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2021","0.0856","","","0.142","0.1797","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223105","4.65","0.0009","28.225","0.006","9.326","0.0019","90","","104.36","0.03","90","","1185.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 I2 -","- C30 H20 I2 -","- C60 H40 I4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2034","0.0785","","","0.0977","0.1286","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223119","8.6157","0.0002","9.9155","0.0002","13.1345","0.0004","97.391","0.001","102.24","0.001","109.899","0.001","1006.17","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0563","0.0476","","","0.1207","0.1273","","","","","","1.043","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223120","7.7989","0.0003","9.1669","0.0004","12.4724","0.0006","89.47","0.002","75.754","0.002","76.412","0.003","838.95","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (2:1)","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0705","0.0515","","","0.115","0.1255","","","","","","1.044","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223121","9.201","0.0003","8.7153","0.0003","24.771","0.0011","90","","94.618","0.001","90","","1979.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Propranolol maleate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2376","0.0826","","","0.1179","0.1528","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223122","8.1696","0.0003","5.6053","0.0002","18.9321","0.0009","90","","98.82","0.002","90","","856.71","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.1305","0.0044","","","0.0054","0.0157","","","","","","0.092","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223123","10.7741","0.0002","11.3507","0.0002","28.2413","0.0006","90","","90","","90","","3453.73","0.11","173","2","173","2","","","","","","","","4","P b n 21","P 2c -2ab","33","Propranolol oxalate methanol solvate (2:1:1)","","","- C34.9 H47.6 N2 O8.9 -","- C34.9 H47.6 N2 O8.9 -","- C139.6 H190.4 N8 O35.6 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2359","0.0792","","","0.1215","0.1601","","","","","","0.988","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223124","12.9928","0.0006","6.4517","0.0003","19.842","0.0013","90","","106.6","0.002","90","","1593.95","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Propranolol oxalate (2:1)","","","- C17 H22 N O4 -","- C17 H22 N O4 -","- C68 H88 N4 O16 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2767","0.1619","","","0.399","0.4529","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223145","9.625","0.0003","13.5168","0.0004","23.6869","0.0007","90","","111.174","0.001","90","","2873.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Eu2 N3 O21 -","- C21 H21 Eu2 N3 O21 -","- C84 H84 Eu8 N12 O84 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0183","0.0161","","","0.039","0.0401","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223146","9.557","0.0019","13.361","0.003","23.414","0.006","90.16","0.03","111.68","0.03","89.29","0.03","2778","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O21 Tb2 -","- C21 H21 N3 O21 Tb2 -","- C84 H84 N12 O84 Tb8 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0315","0.0263","","","0.0659","0.0692","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223147","8.234","0.0016","10.489","0.002","13.085","0.003","93.86","0.03","102.68","0.03","106.85","0.03","1044.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H3 Gd2 N O20 -","- C11 H3 Gd2 N O20 -","- C22 H6 Gd4 N2 O40 -","2","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0257","0.022","","","0.0804","0.0948","","","","","","1.274","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223148","10.5042","0.0013","43.81","0.004","43.81","0.004","90","","90","","90","","20161","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Cd N2 O4 -","- C27 H22 Cd N2 O4 -","- C864 H704 Cd32 N64 O128 -","32","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0663","0.0422","","","0.0941","0.1101","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223149","10.0555","0.0015","18.049","0.003","10.8042","0.0017","90","","107.127","0.005","90","","1873.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cu2 N2 O8 -","- C41 H30 Cu2 N2 O8 -","- C82 H60 Cu4 N4 O16 -","2","0.5","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0595","0.0371","","","0.0801","0.0888","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223150","17.7194","0.0007","11.712","0.0005","23.0697","0.0009","90","","90","","90","","4787.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 Zn -","- C27 H22 N2 O4 Zn -","- C216 H176 N16 O32 Zn8 -","8","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0786","0.0474","","","0.1107","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223151","10.592","0.004","11.235","0.005","13.182","0.007","93.99","0.03","102.12","0.02","108.62","0.02","1437.5","1.2","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Br4 N2 S -","- C31 H24 Br4 N2 S -","- C62 H48 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.28","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223152","9.182","0.0018","9.6642","0.0019","14.466","0.003","83.296","0.004","75.723","0.004","73.399","0.004","1190.7","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0635","0.044","","","0.1018","0.1098","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223153","8.1907","0.0013","9.497","0.0015","15.261","0.002","90.457","0.003","96.073","0.004","98.192","0.003","1168.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0601","0.0428","","","0.1066","0.1136","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223154","7.7119","0.001","10.6252","0.0015","15.117","0.002","98.268","0.003","99.55","0.003","101.403","0.003","1177.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0827","0.0524","","","0.1312","0.1446","","","","","","1.043","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223155","9.488","0.004","10.506","0.006","13.679","0.008","88.73","0.04","76.54","0.04","78.5","0.04","1299","1.2","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br4 N2 S -","- C27 H22 Br4 N2 S -","- C54 H44 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.048","","","","0.051","","","","","","1.45","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223161","17.7929","0.0011","17.7444","0.0012","28.2638","0.0018","90","","97.522","0.001","90","","8846.8","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Br3 Hg1.5 N4 O5.5 S1.5 -","- C38 H32 Br3 Hg1.5 N4 O4 -","- C304 H256 Br24 Hg12 N32 O32 -","8","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0722","0.0486","","","0.1105","0.1161","","","","","","1.034","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223162","9.108","0.002","15.513","0.003","30.601","0.007","90","","90.472","0.003","90","","4323.5","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Hg2 I4 N5 O4 -","- C40 H35 Hg2 I4 N5 O4 -","- C160 H140 Hg8 I16 N20 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0473","0.0422","","","0.0976","0.0996","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223163","8.9084","0.0019","14.54","0.003","15.73","0.003","71.47","0.003","89.982","0.003","77.678","0.003","1882.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C58 H62 Hg4 I8 N8 O9 S -","4","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0508","0.047","","","0.1257","0.1297","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223164","12.5139","0.0008","26.9719","0.0017","16.546","0.0011","90","","92.418","0.001","90","","5579.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 Hg2 I4 N6 O5.5 S1.5 -","- C44 H34 Hg2 I4 N6 O4 -","- C176 H136 Hg8 I16 N24 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0695","0.0607","","","0.1696","0.1747","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223165","14.9034","0.0012","14.5799","0.0012","15.1148","0.0012","90","","117.776","0.001","90","","2905.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Ag F6 N4 O4 P -","- C28 H28 Ag F6 N4 O4 P -","- C112 H112 Ag4 F24 N16 O16 P4 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0356","0.0325","","","0.0866","0.0894","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223166","29.6014","0.0016","29.6014","0.0016","22.5","0.003","90","","90","","120","","17074","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C38 H38 Ag F6 N4 O5 P S -","- C36 H32 Ag F5.98 N4 O4 P0.996667 -","- C648 H576 Ag18 F107.64 N72 O72 P17.94 -","18","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.1483","0.1147","","","0.2926","0.3146","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223167","12.7163","0.0019","14.533","0.002","14.628","0.002","62.589","0.002","83.154","0.002","74.119","0.002","2308.2","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Ag F6 N6 O7.5 P S -","- C46 H40 Ag F6 N6 O7.5 P S -","- C92 H80 Ag2 F12 N12 O15 P2 S2 -","2","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0765","0.0548","","","0.1317","0.1485","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223168","16.7572","0.0003","12.434","0.0002","19.4838","0.0003","90","","91.3502","0.0015","90","","4058.5","0.12","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ce(hfac)3(BrPyDTDA)2]","","","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C108 H36 Br8 Ce4 F72 N24 O24 S16 -","4","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","1.54184","CuKα","","0.0644","0.058","","","0.1445","0.1486","","","","","","1.071","","","","has coordinates","170196","2020-10-21","18:00:00",""
"7223169","36.8971","0.0005","30.3093","0.0004","17.87564","0.00019","90","","90","","90","","19990.8","0.4","150","2","150","2","","","","","","","","10","F d d 2","F 2 -2d","43","[Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}","","","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C576 H264 Br32 Ce16 Cl16 F288 N96 O96 S64 Sb8 -","16","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","0.71073","MoKα","","0.0599","0.0481","","","0.1189","0.1275","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223175","12.843","0.0006","14.7287","0.0005","15.9263","0.0004","90.59","0.002","103.901","0.003","90.697","0.003","2923.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N4 O14 Zn2 -","- C68 H56 N4 O14 Zn2 -","- C136 H112 N8 O28 Zn4 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","1.54178","CuKα","","0.0913","0.083","","","0.2321","0.2397","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223176","12.918","0.0005","14.8371","0.0006","15.9001","0.0005","91.322","0.003","104.162","0.003","90.048","0.003","2954.03","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Cd2 N4 O14 -","- C68 H56 Cd2 N4 O14 -","- C136 H112 Cd4 N8 O28 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","0.71073","MoKα","","0.0512","0.0327","","","0.0647","0.0706","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223177","13.519","0.002","9.896","0.0017","14.609","0.002","90","","112.259","0.003","90","","1808.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C72 H64 N24 O24 Zn4 -","4","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0514","0.0432","","","0.114","0.121","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223178","9.097","0.003","17.622","0.005","7.464","0.002","90","","92.337","0.006","90","","1195.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O3 Zn -","- C10 H10 Cl N3 O3 Zn -","- C40 H40 Cl4 N12 O12 Zn4 -","4","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.063","0.0505","","","0.1259","0.1316","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223179","13.664","0.002","7.8616","0.0013","8.2311","0.0014","90","","91.4","0.003","90","","883.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0406","0.039","","","0.0747","0.0755","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223180","8.3848","0.0017","14.808","0.003","11.494","0.002","90","","90","","90","","1427.1","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C21 H26.2 Cd N7 O8.6 -","- C18 H12 Cd N6 O4 -","- C36 H24 Cd2 N12 O8 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0312","0.0284","","","0.0763","0.0779","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223181","16.68","0.003","32.764","0.007","6.5537","0.0013","90","","90","","90","","3581.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H12 Cd N6 O4 -","- C18 H12 Cd N6 O4 -","- C144 H96 Cd8 N48 O32 -","8","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0197","0.0176","","","0.0406","0.0522","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223182","12.946","0.003","17.321","0.003","22.153","0.004","70.13","0.03","76.08","0.03","73.31","0.03","4418.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H54.5 Cd5 Cl4 N19.5 O17.5 -","- C58.5 H46.5 Cd5 Cl4 N19.5 O17.5 -","- C117 H93 Cd10 Cl8 N39 O35 -","2","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0722","0.0545","","","0.1593","0.17","","","","","","1.02","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223183","20.0621","0.0018","15.593","0.0014","17.2349","0.0015","90","","90","","90","","5391.6","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 N7 O8.5 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.06","0.0441","","","0.1076","0.1143","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223184","5.1765","0.001","15.228","0.003","21.041","0.004","90","","93.91","0.03","90","","1654.8","0.6","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-BA cocrystal","","- C17 H14 F3 N O5 -","- C17 H14 F3 N O5 -","- C68 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.072","0.0651","","","0.15","0.1552","","","","","","1.179","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223185","17.345","0.007","5.1415","0.0017","19.447","0.007","90","","112.506","0.005","90","","1602.2","1","110","","110","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Triflusal-Isonicotinamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C64 H52 F12 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0686","0.0559","","","0.1566","0.1782","","","","","","1.108","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223186","5.5536","0.0011","11.95","0.002","12.2","0.002","96.01","0.03","94.85","0.03","95.99","0.03","797.1","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","Triflusal-2-Picoliniamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C32 H26 F6 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.0456","0.0442","","","0.1184","0.1198","","","","","","1.086","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223187","18.729","0.006","9.921","0.003","8.067","0.003","90","","97.605","0.004","90","","1485.7","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-Propionamide cocrystal","","- C13 H14 F3 N O5 -","- C13 H14 F3 N O5 -","- C52 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0453","0.0414","","","0.1118","0.1157","","","","","","1.067","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223188","14.601","0.003","10.92","0.002","15.342","0.003","90","","102.49","0.03","90","","2388.3","0.9","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triflusal-urea cocrystal","","- C21 H18 F6 N2 O9 -","- C21 H18 F6 N2 O9 -","- C84 H72 F24 N8 O36 -","4","0.5","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.04","0.0396","","","0.1075","0.1079","","","","","","1.061","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223189","19.8545","0.0008","5.06409","0.00017","21.853","0.0011","90","","114.362","0.006","90","","2001.56","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-valpromide cocrystal","","- C18 H24 F3 N O5 -","- C18 H24 F3 N O5 -","- C72 H96 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","x-ray","0.71073","MoKα","","0.0557","0.0456","","","0.1106","0.1167","","","","","","1.042","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223190","5.4112","0.0003","14.2338","0.0007","8.9052","0.0004","90","","95.922","0.005","90","","682.24","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mg2 N2 O14 P2 -","- C4 H16 Mg2 N2 O14 P2 -","- C8 H32 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0426","0.034","","","0.086","0.0924","","","","","","1.067","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223191","5.4134","0.0002","15.259","0.0006","9.0176","0.0004","90","","94.704","0.004","90","","742.37","0.05","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 Mg2 N2 O14 P2 -","- C5 H6 Mg2 N2 O14 P2 -","- C10 H12 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0539","0.0464","","","0.1188","0.1248","","","","","","1.113","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223192","7.6627","0.0003","7.8432","0.0003","9.7695","0.0003","72.092","0.003","83.275","0.003","84.998","0.003","554.04","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","1","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0419","0.0416","","","0.1107","0.1112","","","","","","1.114","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223193","8.23203","0.00011","16.34232","0.00015","13.28134","0.00015","90","","90","","90","","1786.74","0.04","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Mg2 N2 O16 P2 -","- C8 H18 Mg2 N2 O16 P2 -","- C32 H72 Mg8 N8 O64 P8 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0561","0.0539","","","0.1483","0.1513","","","","","","1.103","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223194","9.3755","0.0002","7.4746","0.0001","15.431","0.0002","90","","100.119","0.002","90","","1064.55","0.03","292.1","0.3","292.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Mg N O9 P -","- C6 H12 Mg N O9 P -","- C24 H48 Mg4 N4 O36 P4 -","4","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0452","0.042","","","0.1123","0.1159","","","","","","1.116","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223195","15.1014","0.0002","10.96857","0.00017","22.3338","0.0004","90","","103.099","0.0015","90","","3603.12","0.1","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 Mg4 N3 O30 P3 -","- C18 H34 Mg4 N3 O30 P3 -","- C72 H136 Mg16 N12 O120 P12 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0514","0.0486","","","0.1333","0.1366","","","","","","1.032","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223196","7.7738","0.0003","9.484","0.0003","11.9243","0.0005","78.102","0.003","78.574","0.004","86.183","0.003","842.9","0.06","293.15","","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","1","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1243","0.1257","","","","","","1.065","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223197","9.3254","0.0002","9.428","0.0003","14.306","0.0004","96.449","0.002","103.879","0.002","104.35","0.002","1163.07","0.06","292.8","0.4","292.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 Mg2 N3 O19 P2 -","- C10 H27 Mg2 N3 O19 P2 -","- C20 H54 Mg4 N6 O38 P4 -","2","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0487","0.0462","","","0.1285","0.1327","","","","","","1.063","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223198","13.805","0.003","23.501","0.006","7.6773","0.0018","90","","90","","90","","2490.8","1","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H24 S -","- C35 H24 S -","- C140 H96 S4 -","4","1","","Ye, Junwei; Huang, Xueming; Gao, Yuan; Wang, Xiaoxiao; Zheng, Ting; Lin, Yuan; Liu, Xin; Ning, Guiling","Morphology-controlled assembly and enhanced emission of fluorescence in organic nanospheres and microrods based on 1,2-diphenyl-4-(4-dibenzothienyl)phenyl-1,3-cyclopentadiene","CrystEngComm","2015","17","48","9311","","10.1039/C5CE01849H","","","0.71073","MoKα","","0.0916","0.0527","","","0.1051","0.1178","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223199","14.916","0.007","14.964","0.007","15.309","0.007","64.365","0.008","89.997","0.008","62.904","0.009","2659","2","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pr_GCl","6-Chloro-9-propyl-purin-2-amine","","- C8 H10 Cl N5 -","- C8 H10 Cl N5 -","- C64 H80 Cl8 N40 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.1766","0.0989","","","0.2552","0.3053","","","","","","0.865","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223200","15.078","0.003","15.132","0.003","21.864","0.004","81.61","0.03","80.08","0.03","89.95","0.03","4859.8","1.7","296","2","296","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pt_GCl","6-Chloro-9-penyl-purin-2-amine","","- C20 H28 Cl2 N10 -","- C20 H28 Cl2 N10 -","- C160 H224 Cl16 N80 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.2303","0.1411","","","0.3251","0.3679","","","","","","0.992","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223201","15.022","0.003","44.14","0.009","15.211","0.003","90","","90","","90","","10086","3","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","C c c a :2","-C 2a 2ac","68","xylene_pr_GCl","p-xylene with 6-Chloro-9-propyl-purin-2-amine","","- C24 H30 Cl2 N10 -","- C24 H30 Cl2 N10 -","- C384 H480 Cl32 N160 -","16","1","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71","synchrotron","","0.3296","0.2602","","","0.5974","0.6304","","","","","","2.24","","","","has coordinates,has disorder","208235","2020-10-21","18:00:00",""
"7223238","27.631","0.0019","29.08","0.003","13.136","0.001","90","","90","","90","","10554.9","1.5","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C208 H120 Gd8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.0866","0.0646","","","0.1841","0.1959","","","","","","0.966","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223239","27.108","0.004","29.418","0.003","12.9723","0.0018","90","","90","","90","","10345","2","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C208 H120 N16 Na8 O84 Sm8 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1598","0.0736","","","0.1671","0.1791","","","","","","1.009","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223240","27.1337","0.0011","29.2422","0.0014","13.0757","0.0007","90","","90","","90","","10374.9","0.9","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C208 H116 Dy8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.06","0.0523","","","0.1465","0.1497","","","","","","1.124","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223241","27.4347","0.0011","28.9058","0.0012","13.1157","0.0007","90","","90","","90","","10401","0.8","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C208 H136 Eu8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1227","0.1036","","","0.2823","0.2903","","","","","","1.098","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223242","18.568","0.007","18.0282","0.0019","9.4188","0.0014","90","","90.35","0.03","90","","3152.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2MgTh3(MoO4)8","","- K2 Mg Mo8 O32 Th3 -","- K2 Mg Mo8 O32 Th3 -","- K8 Mg4 Mo32 O128 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0222","0.02","","","0.0426","0.0434","","","","","","1.059","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223243","8.0197","0.001","8.447","0.0017","16.03","0.002","101.55","0.015","102.893","0.012","97.388","0.013","1019.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","K2SrTh2(MoO4)6","","- K2 Mo6 O24 Sr Th2 -","- K2 Mo6 O24 Sr Th2 -","- K4 Mo12 O48 Sr2 Th4 -","2","1","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0893","0.0526","","","0.1129","0.13","","","","","","1.027","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223244","17.556","0.003","17.556","0.003","6.2713","0.001","90","","90","","120","","1673.9","0.5","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Mo18 Nd4 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","1","0.0833333","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0914","0.0414","","","0.1117","0.1435","","","","","","1.14","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223245","18.6792","0.0004","18.0812","0.0005","9.4616","0.0003","90","","90.23","0.002","90","","3195.56","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rb2MgTh3(MoO4)8","","- Mg Mo8 O32 Rb2 Th3 -","- Mg Mo8 O32 Rb2 Th3 -","- Mg4 Mo32 O128 Rb8 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0482","0.0342","","","0.0559","0.0611","","","","","","0.996","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223246","13.3916","0.0002","12.6857","0.0002","23.5448","0.0004","90","","90","","90","","3999.83","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cd N3 O6 -","- C20 H19 Cd N3 O6 -","- C160 H152 Cd8 N24 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0316","0.0225","","","0.0523","0.057","","","","","","1.037","","","","has coordinates","185172","2020-10-21","18:00:00",""
"7223247","22.4577","0.0011","11.3406","0.0005","12.0773","0.0005","90","","113.556","0.003","90","","2819.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cd N2 O6 -","- C13 H10 Cd N2 O6 -","- C104 H80 Cd8 N16 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0266","0.0242","","","0.0613","0.0627","","","","","","1.077","","","","has coordinates,has disorder","185172","2020-10-21","18:00:00",""
"7223263","37.526","0.008","8.8468","0.0018","29.72","0.006","90","","127.61","0.03","90","","7816","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H110 N12 Ni2 O29 -","- C53 H104 N12 Ni2 O29 -","- C212 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0736","0.0668","","","0.1905","0.1966","","","","","","1.158","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223264","37.153","0.003","8.9381","0.0008","29.414","0.003","90","","127.964","0.002","90","","7700.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H110 N12 Ni2 O29 -","- C57 H104 N12 Ni2 O29 -","- C228 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1148","0.0674","","","0.1753","0.2088","","","","","","0.998","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223265","37.352","0.004","8.834","0.001","29.562","0.003","90","","126.838","0.002","90","","7806.9","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H120 N12 Ni2 O30 -","- C61 H112 N12 Ni2 O30 -","- C244 H448 N48 Ni8 O120 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1384","0.0619","","","0.1278","0.161","","","","","","0.976","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223266","11.579","0.002","25.062","0.005","31.421","0.006","90","","90","","90","","9118","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C69 H124 N16 Ni2 O26 -","- C57 H76 N12 Ni2 O12 -","- C228 H304 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0757","0.0704","","","0.1926","0.1963","","","","","","1.164","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223267","11.7659","0.0007","25.7333","0.0015","31.1417","0.0019","90","","90","","90","","9428.9","1","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C71 H126 N16 Ni2 O25 -","- C59 H80 N12 Ni2 O12 -","- C236 H320 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1565","0.0655","","","0.1803","0.197","","","","","","1.039","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223268","11.817","0.002","24.76","0.005","32.256","0.007","90","","90","","90","","9438","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C61 H124 N12 Ni2 O32 -","- C61 H84 N12 Ni2 O12 -","- C244 H336 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1482","0.1202","","","0.3256","0.3528","","","","","","0.962","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223269","12.0122","0.0008","25.023","0.0018","31.873","0.003","90","","90","","90","","9580.4","1.3","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C63 H124 N12 Ni2 O30 -","- C63 H88 N12 Ni2 O12 -","- C252 H352 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.129","0.0794","","","0.2384","0.2592","","","","","","0.997","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223270","18.7966","0.0007","18.7966","0.0007","21.2715","0.0018","90","","90","","90","","7515.5","0.7","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C65 H108 N12 Ni2 O16 -","- C65 H108 N12 Ni2 O16 -","- C260 H432 N48 Ni8 O64 -","4","","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0929","0.0502","","","0.1192","0.1401","","","","","","1.01","","","","has coordinates,has disorder","185168","2020-10-21","18:00:00",""
"7223280","5.4223","0.0003","7.6977","0.0004","25.4353","0.0014","90","","92.75","0.002","90","","1060.43","0.1","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0607","0.0474","","","0.1273","0.137","","","","","","1.047","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223281","9.914","0.004","21.812","0.009","4.923","0.002","90","","90","","90","","1064.6","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0496","0.0366","","","0.0749","0.0814","","","","","","1.036","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223282","5.4385","0.0001","7.5939","0.0002","12.8178","0.0003","106.251","0.001","100.337","0.001","90.203","0.001","499.16","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0383","0.0365","","","0.0969","0.0987","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223283","5.13","0.0003","8.8893","0.0005","11.6782","0.0007","101.426","0.003","97.174","0.003","90.881","0.003","517.47","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0368","0.0346","","","0.0952","0.0976","","","","","","1.042","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223284","5.0295","0.0002","8.838","0.0004","24.4547","0.0009","90","","90","","90","","1087.03","0.08","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0489","0.0455","","","0.1285","0.1311","","","","","","1.089","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223285","9.456","0.003","4.7786","0.0016","24.253","0.008","90","","95.145","0.004","90","","1091.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,3-difluorophenyl)-2,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0345","0.0318","","","0.0816","0.0838","","","","","","1.056","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223286","4.9918","0.0002","9.361","0.0005","12.0172","0.0006","102.372","0.002","97.44","0.002","90.222","0.002","543.59","0.05","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","N-(2,3-difluorophenyl)-3,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C26 H14 F8 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0516","0.041","","","0.1049","0.1133","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223287","4.6457","0.0005","5.0544","0.0005","11.8597","0.0013","100.967","0.004","92.076","0.004","92.987","0.004","272.72","0.05","105","2","105","2","","","","","","","","5","P 1","P 1","1","","N-(2,3-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C13 H7 F4 N O -","1","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0288","0.0277","","","0.0746","0.0756","","","","","","1.059","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223288","5.535","0.007","5.035","0.006","19.29","0.02","90","","92.048","0.016","90","","537.2","1.1","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(2,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0954","0.0808","","","0.231","0.2561","","","","","","1.098","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223289","8.8818","0.0007","4.9233","0.0003","24.9499","0.0018","90","","94.162","0.002","90","","1088.13","0.13","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.063","0.0476","","","0.1275","0.1375","","","","","","1.087","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223290","24.3084","0.001","5.0243","0.0002","8.4598","0.0004","90","","90","","90","","1033.22","0.08","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0263","0.0256","","","0.0615","0.062","","","","","","1.111","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223291","5.4838","0.0002","7.7928","0.0004","12.6887","0.0006","106.682","0.002","98.87","0.001","90.157","0.002","512.57","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(3,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0491","0.0436","","","0.1207","0.1255","","","","","","1.057","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223292","5.1818","0.0016","8.312","0.003","25.739","0.01","90","","93.172","0.011","90","","1106.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0511","0.0411","","","0.1055","0.112","","","","","","1.052","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223293","4.9514","0.0004","8.6873","0.0008","25.517","0.002","90","","91.829","0.003","90","","1097.04","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.1032","0.0583","","","0.1332","0.153","","","","","","1.057","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223294","10.179","0.01","5.15","0.005","20.053","0.02","90","","103.924","0.012","90","","1020.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0386","0.0352","","","0.0917","0.094","","","","","","1.076","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223305","13.836","0.002","13.836","0.002","19.957","0.003","90","","90","","90","","3820.5","1","170","2","170.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H76 N28 O20 Zn4 -","- C64 H76 N28 O20 Zn4 -","- C128 H152 N56 O40 Zn8 -","2","","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0524","0.0427","","","0.1123","0.1207","","","","","","1.182","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223306","13.7479","0.0007","13.6207","0.0007","44.742","0.002","90","","98.226","0.002","90","","8292","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cl4 N24 O22 Zn4 -","- C60 H56 Cl4 N24 O20 Zn4 -","- C240 H224 Cl16 N96 O80 Zn16 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1466","0.0716","","","0.1507","0.1675","","","","","","1.039","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223307","13.39","0.0017","29.716","0.004","21.716","0.003","90","","102.996","0.002","90","","8419.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N30 O10 S4 Zn5 -","- C64 H60 N30 O10 S4 Zn5 -","- C256 H240 N120 O40 S16 Zn20 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0622","0.0447","","","0.1103","0.1168","","","","","","1.053","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223308","11.452","0.0003","12.106","0.0004","13.138","0.0004","115.338","0.003","99.128","0.002","104.707","0.001","1516.01","0.1","292","2","292","2","","","","","","","","6","P -1","-P 1","2","1024G","1024G","","- C21 H26 N10 O3 S4 Zn -","- C21 H26 N10 O3 S4 Zn -","- C42 H52 N20 O6 S8 Zn2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1107","0.042","","","0.0945","0.114","","","","","","0.903","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223309","13.9941","0.0009","13.9941","0.0009","35.739","0.003","90","","90","","90","","6998.9","0.9","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H60 N30 Na O16 Zn4 -","- C60 H56 N30 O16 Zn4 -","- C240 H224 N120 O64 Zn16 -","4","0.25","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0723","0.0483","","","0.1263","0.1356","","","","","","0.997","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223326","14.442","0.005","22.524","0.005","21.414","0.005","90","","129.598","0.014","90","","5367","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Ag4 Mo12 N14 Na O40 P -","- C18 H10 Ag4 Mo12 N14 Na O40 P -","- C72 H40 Ag16 Mo48 N56 Na4 O160 P4 -","4","1","","Sha, Jing-Quan; Sun, Long-Jiang; Zhu, Pei-Pei; Jiang, Jianzhuang","The first two-fold interpenetrating polyoxometalate-based coordination polymer with helical channels: structure and catalytic activities","CrystEngComm","2016","18","2","283","","10.1039/C5CE02021B","","","0.71069","MoKα","","0.0717","0.0557","","","0.134","0.1444","","","","","","1.063","","","","has coordinates","175940","2020-10-21","18:00:00",""
"7223327","11.543","0.002","11.603","0.002","12.615","0.002","69.352","0.01","63.37","0.01","78.518","0.012","1411.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H52 Cu2 N6 O14 P2 -","- C54 H52 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0852","0.0573","","","0.1574","0.1685","","","","","","1.014","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223328","11.129","0.003","14.638","0.004","16.334","0.004","90","","90.251","0.01","90","","2660.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 N6 O14 P2 -","- C56 H56 Cu2 N6 O14 P2 -","- C112 H112 Cu4 N12 O28 P4 -","2","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0718","0.0398","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223329","11.461","0.003","12.537","0.003","14.271","0.003","111.461","0.011","111.204","0.012","92.332","0.013","1743.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cu N5 O8 P -","- C37 H34 Cu N5 O8 P -","- C74 H68 Cu2 N10 O16 P2 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0726","0.0426","","","0.0975","0.11","","","","","","1.054","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223330","7.2609","0.0007","9.9595","0.001","15.0827","0.0015","73.778","0.005","87.9","0.005","89.707","0.005","1046.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C40 H32 Cu2 N12 O14 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0498","0.0418","","","0.1297","0.1396","","","","","","0.983","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223331","31.662","0.016","8.649","0.004","11.434","0.006","90","","102.53","0.05","90","","3057","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.1302","0.0608","","","0.1529","0.175","","","","","","1.008","","","","has coordinates","175978","2020-10-21","18:00:00",""
"7223332","11.3974","0.0012","11.5337","0.0012","12.5848","0.0013","117.067","0.004","101.07","0.004","101.147","0.004","1369.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H48 Cu2 N6 O14 P2 -","- C54 H48 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0654","0.0564","","","0.1566","0.161","","","","","","1.147","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223333","5.8102","0.0003","23.9645","0.0013","10.9985","0.0005","90","","98.602","0.005","90","","1514.19","0.13","97.3","","97.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F2 N O3 -","- C19 H12 F2 N O3 -","- C76 H48 F8 N4 O12 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0567","0.0444","","","0.0958","0.1032","","","","","","1.044","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223334","4.6752","0.0006","16.257","0.003","19.332","0.005","90","","92.278","0.019","90","","1468.2","0.5","99.3","","99.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 N2 O6 -","- C36 H24 Cl2 N2 O6 -","- C72 H48 Cl4 N4 O12 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0803","0.0533","","","0.098","0.1088","","","","","","1.049","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223335","5.7528","0.0005","22.874","0.008","11.463","0.006","90","","97.874","0.019","90","","1494.2","1","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 F4 N2 O2 -","- C36 H22 Br2 F4 N2 O2 -","- C72 H44 Br4 F8 N4 O4 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0561","0.0425","","","0.0886","0.0941","","","","","","1.052","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223336","21.3375","0.0018","5.7007","0.0009","23.102","0.003","90","","90","","90","","2810.1","0.6","99.7","","99.7","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.1431","0.0809","","","0.1046","0.1309","","","","","","1.011","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223337","7.8092","0.0007","12.7602","0.0016","19.323","0.002","97.533","0.01","92.737","0.009","107.448","0.009","1813.3","0.4","99.7","","99.7","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H11 Br4 F16 N O -","- C39 H11 Br4 F16 N O -","- C78 H22 Br8 F32 N2 O2 -","2","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0743","0.0521","","","0.0915","0.0992","","","","","","1.093","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223338","12.2337","0.0011","9.5487","0.0008","13.0666","0.0013","90","","90","","90","","1526.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Ag N2 -","- C8 H7 Ag N2 -","- C64 H56 Ag8 N16 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.041","0.0334","","","0.0569","0.0597","","","","","","1.194","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223339","20.633","0.004","20.797","0.004","16.615","0.003","90","","91.842","0.004","90","","7126","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Ag4 N8 -","- C36 H36 Ag4 N8 -","- C288 H288 Ag32 N64 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.027","0.0231","","","0.0781","0.0829","","","","","","0.664","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223344","7.65","0.009","7.943","0.008","18.15","0.02","90","","92.26","0.02","90","","1102","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C40 H44 Cl4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.102","0.0414","","","0.0671","0.0787","","","","","","1.027","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223345","7.9402","0.0007","8.1717","0.0008","8.8975","0.0008","70.343","0.006","89.333","0.006","72.343","0.006","515.42","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0371","0.0324","","","0.1109","0.1193","","","","","","0.87","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223346","4.9838","0.0002","9.8417","0.0004","10.3031","0.0005","100.059","0.003","100.517","0.003","91.372","0.003","488.42","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N2 O3 -","- C11 H9 N2 O3 -","- C22 H18 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0459","0.0391","","","0.1255","0.1339","","","","","","1.039","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223347","5.3961","0.0007","9.4163","0.0013","13.6395","0.0017","75.67","0.009","89.392","0.009","80.448","0.008","661.83","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0733","0.0488","","","0.1315","0.1469","","","","","","1.017","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223348","12.7021","0.0005","5.0401","0.0002","19.1216","0.0008","90","","98.951","0.003","90","","1209.25","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C52 H52 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0678","0.0447","","","0.1249","0.1415","","","","","","1.026","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223349","12.7915","0.0005","5.0009","0.0002","16.4829","0.0007","90","","90.926","0.003","90","","1054.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N2 O3 -","- C12 H11 N2 O3 -","- C48 H44 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0654","0.0436","","","0.126","0.1408","","","","","","1.034","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223350","12.6838","0.0012","5.0451","0.0005","16.3375","0.0016","90","","90.201","0.007","90","","1045.45","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0618","0.0427","","","0.1191","0.1314","","","","","","1.051","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223351","7.8758","0.0007","9.1877","0.001","11.3427","0.0008","112.883","0.008","91.057","0.007","105.877","0.009","720.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Co N O8 -","- C11 H17 Co N O8 -","- C22 H34 Co2 N2 O16 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.0672","0.0446","","","0.0849","0.0954","","","","","","0.992","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223352","19.228","0.005","7.24","0.004","8.874","0.004","90","","90","","90","","1235.4","0.9","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11 H11 Co N O5 -","- C11 H4 Co N O5 -","- C44 H16 Co4 N4 O20 -","4","0.25","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.2033","0.1264","","","0.2807","0.33","","","","","","0.991","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223353","27.3644","0.0003","13.4467","0.0001","28.0955","0.0003","90","","94.042","0.001","90","","10312.3","0.18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 F3 I3 N6 O2 S2 -","- C50 H54 F3 I3 N6 O2 S2 -","- C400 H432 F24 I24 N48 O16 S16 -","8","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.5418","CuKα","","0.0468","0.0412","","","0.1046","0.1108","","","","","","1.052","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223354","10.4878","0.001","12.3896","0.0011","12.7932","0.0012","78.982","0.008","82.201","0.008","81.597","0.008","1604.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F3 I3 N3 O2 -","- C29 H29 F3 I3 N3 O2 -","- C58 H58 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.1489","0.141","","","0.3318","0.3535","","","","","","1.277","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223355","9.5328","0.0003","11.9482","0.0003","13.9164","0.0003","82.274","0.002","85.796","0.002","87.527","0.002","1565.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 I3 N3 O2 -","- C28 H27 F3 I3 N3 O2 -","- C56 H54 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0593","0.056","","","0.158","0.164","","","","","","1.08","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223356","9.5563","0.0003","11.4823","0.0003","14.152","0.0004","99.118","0.002","92.177","0.002","92.289","0.002","1530.48","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F3 I3 N3 O2 -","- C27 H25 F3 I3 N3 O2 -","- C54 H50 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0374","0.0347","","","0.0879","0.0913","","","","","","1.04","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223357","10.0662","0.0002","14.4987","0.0003","20.6364","0.0005","82.22","0.002","81.567","0.002","89.177","0.002","2951.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F3 I3 N3 O2 -","- C26 H23 F3 I3 N3 O2 -","- C104 H92 F12 I12 N12 O8 -","4","2","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0684","0.0577","","","0.1536","0.1694","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223358","9.0898","0.0005","12.7927","0.0008","13.8531","0.0007","114.273","0.006","98.513","0.005","100.445","0.005","1398.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 I3 N3 O2 -","- C25 H21 F3 I3 N3 O2 -","- C50 H42 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.094","0.0822","","","0.224","0.2568","","","","","","1.037","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223359","13.1874","0.0008","11.9065","0.0008","19.8014","0.0013","90","","100.142","0.002","90","","3060.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu2 N12 O8 -","- C24 H22 Cl2 Cu2 N12 O8 -","- C96 H88 Cl8 Cu8 N48 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0474","0.0359","","","0.0889","0.0964","","","","","","1.035","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223360","12.6355","0.0004","41.3258","0.0013","20.8981","0.0007","90","","90","","90","","10912.4","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H82 Cl6 Cu6 N24 O32 -","- C90 H70 Cl5 Cu6 N24 O22 -","- C360 H280 Cl20 Cu24 N96 O88 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0808","0.0503","","","0.1401","0.1658","","","","","","1.077","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223361","8.497","0.002","25.544","0.007","18.675","0.005","90","","90","","90","","4053.4","1.8","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H37 Cl2 Cu2 N9 O10 -","- C36 H37 Cl2 Cu2 N9 O10 -","- C144 H148 Cl8 Cu8 N36 O40 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0874","0.0632","","","0.1933","0.2132","","","","","","1.098","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223362","13.841","0.0013","8.0261","0.0008","39.946","0.003","90","","96.565","0.004","90","","4408.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cl2 Cu2 N10 O8 -","- C42 H44 Cl2 Cu2 N10 O8 -","- C168 H176 Cl8 Cu8 N40 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.1523","0.0825","","","0.2243","0.2595","","","","","","1.122","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223369","13.029","0.003","9.107","0.002","13.565","0.003","90","","116.569","0.004","90","","1439.6","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O11 -","- C30 H30 N2 O11 -","- C60 H60 N4 O22 -","2","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0549","0.0459","","","0.1026","0.1109","","","","","","1.142","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223370","13.604","0.002","9.974","0.002","13.84","0.003","90","","119.099","0.004","90","","1640.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H38 N2 O11 -","- C33 H38 N2 O11 -","- C66 H76 N4 O22 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0394","0.0369","","","0.0972","0.1004","","","","","","1.029","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223371","13.524","0.002","9.9285","0.0016","13.891","0.003","90","","118.817","0.0019","90","","1634.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 O12 -","- C32 H36 N2 O12 -","- C64 H72 N4 O24 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0286","0.028","","","0.0777","0.0784","","","","","","1.049","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223372","16.286","0.007","22.708","0.009","7.95","0.003","90","","115.707","0.005","90","","2649.1","1.8","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28.5 H30 N O8.5 -","- C28.5 H25 N O8.5 -","- C114 H100 N4 O34 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0843","0.0667","","","0.1704","0.1885","","","","","","1.038","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223373","7.7919","0.0013","21.208","0.004","24.416","0.004","90","","90","","90","","4034.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N2 O12 -","- C40 H39 N2 O12 -","- C160 H156 N8 O48 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1291","0.0853","","","0.2202","0.2477","","","","","","1.033","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223374","28.639","0.005","28.639","0.005","7.8757","0.0015","90","","90","","90","","6460","2","200","2","200","2","","","","","","","","4","I 41","I 4bw","80","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C264 H256 N16 O64 -","8","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1124","0.0547","","","0.1313","0.1503","","","","","","0.91","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223375","7.7836","0.0008","22.234","0.002","24.89","0.003","90","","90","","90","","4307.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O11 -","- C42 H42 N2 O11 -","- C168 H168 N8 O44 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0954","0.0719","","","0.1966","0.2087","","","","","","1.028","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223396","6.4499","0.0003","19.1637","0.0008","8.0685","0.0003","90","","96.557","0.002","90","","990.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Magnesiumcarboxylate","","","- C6 H7 Mg1.5 O7 S -","- C6 H7 Mg1.5 O7 S -","- C24 H28 Mg6 O28 S4 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0564","0.0392","","","0.1014","0.1207","","","","","","1.166","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223397","9.6615","0.0003","10.49","0.0003","11.9404","0.0003","110.295","0.001","91.875","0.001","114.86","0.001","1006.93","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Magnesiumcarboxylate","","","- C14 H4 Mg1.5 N O8 S2 -","- C14 H4 Mg1.5 N O8 S2 -","- C28 H8 Mg3 N2 O16 S4 -","2","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0633","0.0522","","","0.1735","0.1859","","","","","","1.122","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223398","34.681","0.003","15.3678","0.0013","13.7141","0.001","90","","112.169","0.004","90","","6768.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinccarboxylate","","","- C27 H16 N3 O8.5 S2 Zn2 -","- C27 H16 N3 O8.5 S2 Zn2 -","- C216 H128 N24 O68 S16 Zn16 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.074","0.0518","","","0.1851","0.2113","","","","","","1.087","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223399","10.0483","0.0002","13.4969","0.0003","16.7346","0.0004","90","","93.683","0.001","90","","2264.87","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Magnesiumcarboxylate","","","- C18 H18 Mg2 N2 O10 S2 -","- C18 H18 Mg2 N2 O10 S2 -","- C72 H72 Mg8 N8 O40 S8 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0803","0.0511","","","0.1339","0.1471","","","","","","1.039","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223400","13.5642","0.0013","13.5642","0.0013","15.6425","0.0012","90","","90","","90","","2878","0.4","298","2","298","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","Indiumcarboxylate","","","- C7 H2 In0.5 N0.5 O4 S -","- C7 H2 In0.5 N0.5 O4 S -","- C56 H16 In4 N4 O32 S8 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.053","0.0364","","","0.0959","0.1043","","","","","","1.071","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223403","13.6976","0.0007","16.1004","0.0008","14.1055","0.0007","90","","92.642","0.002","90","","3107.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H72 Br12 N6 S4 Zn -","- C39 H72 Br12 N6 S4 Zn -","- C78 H144 Br24 N12 S8 Zn2 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Vinakos, Michael K.","From single-point to three-point halogen bonding between zinc(ii) tetrathiocyanate and tetrabromomethane","CrystEngComm","2016","18","3","488","","10.1039/C5CE02125A","","","0.71073","MoKα","","0.069","0.0395","","","0.0816","0.0851","","","","","","1.03","","","","has coordinates","175952","2020-10-21","18:00:00",""
"7223404","12.3714","0.0003","13.3655","0.0002","37.5272","0.0006","90","","90","","90","","6205.1","0.2","100","2","100","2","","","","","","","","7","P n n n","-P 2ab 2bc","48","","","","- C114 H124 Gd2 N2 O47 P2 S8 -","- C114 H124 Gd2 N2 O47 P2 S8 -","- C228 H248 Gd4 N4 O94 P4 S16 -","2","","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.1218","0.1027","","","0.2818","0.2968","","","","","","1.042","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223405","17.4699","0.0008","18.0265","0.0007","23.3461","0.0009","102.788","0.003","96.123","0.003","118.576","0.004","6099.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C167 H195 N2 O60 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.2438","0.1719","","","0.4089","0.4396","","","","","","1.019","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223406","10.4708","0.0006","10.5478","0.0006","11.0342","0.0006","72.783","0.005","75.786","0.005","70.243","0.005","1081.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I O P -","- C25 H22 I O P -","- C50 H44 I2 O2 P2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.0458","0.0407","","","0.0978","0.1015","","","","","","1","","","","has coordinates","185199","2020-10-21","18:00:00",""
"7223407","11.178","0.011","10.166","0.01","12.216","0.012","90","","90","","90","","1388","2","358","2","358","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0339","0.0302","","","0.0758","0.0789","","","","","","1.02","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223408","10.0525","0.0019","12.081","0.002","11.042","0.002","90","","91.329","0.003","90","","1340.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0209","0.0199","","","0.049","0.0495","","","","","","1.033","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223409","11.19","0.006","10.204","0.006","12.278","0.007","90","","90","","90","","1401.9","1.4","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0316","0.0276","","","0.0646","0.0669","","","","","","1.012","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223410","10.0664","0.0017","12.075","0.002","11.0158","0.0019","90","","91.262","0.002","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0409","0.0404","","","0.149","0.1494","","","","","","1.059","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223436","15.4414","0.0015","10.9156","0.0011","14.596","0.0014","90","","90","","90","","2460.2","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H32 Ni2 O18 -","- C18 H29 Ni2 O18 -","- C72 H116 Ni8 O72 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0399","0.0377","","","0.1051","0.1068","","","","","","1.085","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223437","20.775","0.003","27.566","0.003","10.846","0.0013","90","","90","","90","","6211.3","1.3","150","2","150","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C45 H54.75 O33.5 Zn6 -","- C45 H30 O33.433 Zn6 -","- C180 H120 O133.732 Zn24 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0618","0.0533","","","0.1378","0.1432","","","","","","1.042","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223438","17.382","0.004","10.4516","0.0015","15.97","0.003","90","","90","","90","","2901.3","1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H44 O28 Zn6 -","- C45 H32 O28 Zn6 -","- C90 H64 O56 Zn12 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.1102","0.0575","","","0.1285","0.1517","","","","","","1.073","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223439","4.5131","0.0008","14.483","0.003","12.622","0.003","90","","97.792","0.009","90","","817.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mn O10 -","- C18 H14 Mn O10 -","- C36 H28 Mn2 O20 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.0593","0.0348","","","0.0737","0.0829","","","","","","1.032","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223440","9.1496","0.0012","9.7908","0.0012","16.078","0.002","89.207","0.002","76.087","0.002","74.643","0.002","1346.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","1","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0538","0.0453","","","0.1204","0.126","","","","","","1.041","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223456","14.861","0.003","14.142","0.003","22.798","0.005","90","","106.37","0.03","90","","4597.1","1.8","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H46 As8 N18 Ni5 O43 V14 -","- C48 H36 As8 N18 Ni5 O43 V14 -","- C96 H72 As16 N36 Ni10 O86 V28 -","2","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1144","0.074","","","0.1909","0.2334","","","","","","1.004","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223457","13.80109","0.00015","23.8678","0.0002","27.1204","0.0002","90","","90","","90","","8933.5","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 As8 N12 Ni2.5 O43 V14 -","- C46 H35 As8 N12 Ni2.5 O43 V14 -","- C184 H140 As32 N48 Ni10 O172 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0497","0.0445","","","0.1273","0.1323","","","","","","1.043","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223458","12.169","0.002","16.057","0.003","40.244","0.008","90","","90","","90","","7864","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 As8 N8 Ni2 O44 V14 -","- C42 H32 As8 N8 Ni2 O44 V14 -","- C168 H128 As32 N32 Ni8 O176 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1534","0.0875","","","0.1915","0.2262","","","","","","1.055","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223459","15.5647","0.001","15.5647","0.001","38.904","0.005","90","","90","","90","","9424.9","1.5","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C52 H58 As8 N16 Ni2 O49 V14 -","- C52 H44 As8 N16 Ni2 O49 V14 -","- C208 H176 As32 N64 Ni8 O196 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1694","0.0809","","","0.222","0.2892","","","","","","1.02","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223460","11.5263","0.0009","15.2606","0.0011","15.8895","0.0012","106.238","0.001","95.372","0.001","102.466","0.001","2584.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H58 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0801","0.0543","","","0.1548","0.1751","","","","","","1.073","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223461","12.541","0.002","12.565","0.002","14.238","0.003","83.592","0.002","79.184","0.003","81.137","0.002","2169.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1087","0.0967","","","0.2365","0.2426","","","","","","1.018","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223462","11.6254","0.0003","14.4554","0.0004","14.651","0.0004","99.363","0.002","97.293","0.002","91.069","0.002","2407.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1005","0.0714","","","0.2029","0.2307","","","","","","1.024","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223463","14.4313","0.0005","13.2244","0.0006","7.5812","0.0003","90","","93.883","0.003","90","","1443.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cu2.5 N7 -","- C13 H13 Cu2.5 N7 -","- C52 H52 Cu10 N28 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.0814","0.0364","","","0.0761","0.0915","","","","","","0.993","","","","has coordinates","175953","2020-10-21","18:00:00",""
"7223464","7.3329","0.0003","18.6223","0.0007","14.8934","0.0006","90","","101.642","0.002","90","","1991.94","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cu3 N10 O -","- C14 H17 Cu3 N10 O -","- C56 H68 Cu12 N40 O4 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.1072","0.0536","","","0.1247","0.1476","","","","","","1.005","","","","has coordinates,has disorder","175953","2020-10-21","18:00:00",""
"7223470","8.785","0.006","20.81","0.014","34.48","0.02","90","","90","","90","","6303","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0449","0.0305","","0.0643","0.0594","0.0643","","","","","","0.9995","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223471","8.798","0.002","20.865","0.004","34.551","0.006","90","","90","","90","","6343","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0805","0.0491","","0.1114","0.0959","0.1114","","","","","","0.9315","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223472","8.7007","0.0013","34.271","0.003","11.0753","0.0012","90","","111.047","0.009","90","","3082.1","0.7","293","","293","","","","170000","","","","","4","C 1 2/c 1","-C 2yc","15","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12.56 H6 O7.125 Sc -","- C12 H6 O6 Sc -","- C96 H48 O48 Sc8 -","8","1","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","x-ray","0.71073","MoKα","","0.1632","0.1213","","0.3286","0.2927","0.3286","","","","","","0.9725","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223487","15.1612","0.0016","15.1612","0.0016","58.187","0.009","90","","90","","120","","11583","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 Fe2 I7 N12 -","- C72 H48 Ag3 Fe2 I7 N12 -","- C432 H288 Ag18 Fe12 I42 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0403","0.0375","","","0.1486","0.1518","","","","","","1.068","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223488","15.1789","0.0004","15.1789","0.0004","58.192","0.004","90","","90","","120","","11611.1","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 I7 Mn2 N12 -","- C72 H48 Ag3 I7 Mn2 N12 -","- C432 H288 Ag18 I42 Mn12 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0483","0.0435","","","0.1445","0.1493","","","","","","1.055","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223489","14.7523","0.0014","14.7794","0.0014","27.291","0.003","76.78","0.001","86.843","0.001","60.318","0.001","5020.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Ag5 I7 Mn N6 -","- C36 H24 Ag5 I7 Mn N6 -","- C144 H96 Ag20 I28 Mn4 N24 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0883","0.052","","","0.1453","0.1623","","","","","","1.045","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223490","11.396","0.0014","18.948","0.002","23.015","0.003","100.441","0.001","94.951","0.001","100.227","0.001","4773.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 Ag14 I22 N8 -","- C48 H56 Ag14 I22 N8 -","- C96 H112 Ag28 I44 N16 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0627","0.0399","","","0.0915","0.1003","","","","","","1.023","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223491","17.2929","0.0007","17.2929","0.0007","19.8829","0.0012","90","","90","","90","","5945.9","0.5","180","0.2","180","0.2","","","","","","","","4","I 4/m","-I 4","87","CMF-1","","","- Cu6 Mo28 N2 O96 -","- Cu6 Mo28 N2 O96 -","- Cu12 Mo56 N4 O192 -","2","0.125","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0586","0.0402","","","0.1012","0.1081","","","","","","1.03","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223492","10.3503","0.0004","10.3933","0.0004","15.1733","0.0006","76.113","0.004","75.04","0.004","62.687","0.004","1387","0.11","180","0.1","180","1","","","","","","","","3","P -1","-P 1","2","CMF-2","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu2 Mo14 O48 -","2","1","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0478","0.0362","","","0.0821","0.0876","","","","","","1.011","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223493","10.4495","0.0007","19.2758","0.0009","13.2417","0.0008","90","","90","","90","","2667.2","0.3","180.01","0.13","180.01","0.13","","","","","","","","3","P n m a","-P 2ac 2n","62","CMF-3","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu4 Mo28 O96 -","4","0.5","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.71073","MoKα","","0.0719","0.0532","","","0.1259","0.1347","","","","","","1.049","","","","has coordinates,has disorder","175948","2020-10-21","18:00:00",""
"7223504","19.953","0.007","9.495","0.004","25.805","0.01","90","","91.915","0.012","90","","4886","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H79 N5 O28 Zn6 -","- C98 H79 N5 O28 Zn6 -","- C196 H158 N10 O56 Zn12 -","2","0.25","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.1493","0.0917","","","0.2528","0.2937","","","","","","1.047","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223505","16.7153","0.0008","8.4558","0.0004","35.4943","0.0017","90","","90","","90","","5016.8","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 N2 O7 Zn -","- C26 H26 N2 O7 Zn -","- C208 H208 N16 O56 Zn8 -","8","1","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.0713","0.0462","","","0.0985","0.1079","","","","","","1.073","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223506","13.4199","0.0005","19.4201","0.0007","20.7033","0.0015","88.22","0.006","85.02","0.006","84.859","0.006","5352.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0603","0.048","","","0.1253","0.1312","","","","","","1.112","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223507","18.0377","0.0013","18.3422","0.0013","29.9","0.002","71.347","0.002","71.67","0.002","67.774","0.002","8462.6","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 N4 Ni4 O22 -","- C78.5 H78 N4 Ni4 O18.5 -","- C314 H312 N16 Ni16 O74 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0845","0.0643","","","0.175","0.1896","","","","","","1.049","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223508","12.1956","0.00019","19.3817","0.0006","20.2019","0.0007","90","","98.464","0.002","90","","4723.1","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C184 H224 Cl4 Dy4 N8 Ni4 O60 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0451","0.0322","","","0.0687","0.0755","","","","","","1.053","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223509","15.0768","0.0005","20.6499","0.0005","17.8256","0.0008","90","","103.01","0.004","90","","5407.3","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C212 H244 Cl4 Dy4 N20 Ni4 O56 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0491","0.0362","","","0.0816","0.0908","","","","","","1.065","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223510","10.4776","0.0004","21.3408","0.0008","14.3681","0.0005","90","","106.977","0.004","90","","3072.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Dy2 N4 Ni2 O18 -","- C62 H58 Dy2 N4 Ni2 O18 -","- C124 H116 Dy4 N8 Ni4 O36 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","1.54184","CuKα","","0.0899","0.0666","","","0.1672","0.1837","","","","","","0.99","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223511","13.149","0.0009","13.62","0.001","15.4701","0.0011","68.869","0.005","65.65","0.004","63.614","0.004","2207.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0859","0.0745","","","0.1889","0.1971","","","","","","1.078","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223512","12.7821","0.0009","13.5743","0.001","14.1583","0.001","106.94","0.003","91.065","0.002","97.754","0.002","2324.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0469","0.0427","","","0.1152","0.1197","","","","","","1.047","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223513","16.5657","0.0012","17.6842","0.0012","18.4698","0.0013","81.572","0.002","80.148","0.002","83.02","0.002","5247.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Dy3 N24 O60 -","- C81 H69 Dy3 N24 O60 -","- C162 H138 Dy6 N48 O120 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.036","0.0314","","","0.0764","0.0797","","","","","","1.05","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223514","14.1586","0.0006","17.259","0.0007","22.3936","0.0008","98.527","0.003","98.268","0.003","111.403","0.004","4920.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0618","0.0425","","","0.0968","0.1096","","","","","","1.053","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223515","6.9697","0.0004","12.6645","0.0007","15.0866","0.0008","76.153","0.005","89.966","0.005","88.423","0.005","1292.45","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O5 -","- C14 H11 Cl N2 O5 -","- C56 H44 Cl4 N8 O20 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","1.54184","CuKα","","0.0593","0.0493","","","0.1324","0.1451","","","","","","1.054","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223516","7.5662","0.0004","8.5456","0.0004","14.8304","0.0008","84.747","0.004","84.775","0.004","82.09","0.004","942.79","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.0719","0.0768","","","","","","1.049","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223517","18.8624","0.0005","17.03","0.0004","25.6461","0.0018","90","","108.353","0.008","90","","7819.2","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co N5 O12 -","- C36 H44 Co N5 O12 -","- C288 H352 Co8 N40 O96 -","8","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.1216","0.0855","","","0.2181","0.2379","","","","","","1.054","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223518","13.059","0.0008","22.7258","0.0011","15.4472","0.0013","90","","109.616","0.008","90","","4318.3","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br2 Co N3 O9 -","- C45 H52 Br2 Co N3 O9 -","- C180 H208 Br8 Co4 N12 O36 -","4","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.1023","0.059","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223519","22.1776","0.0015","18.894","0.0011","27.8333","0.0011","90","","100.127","0.004","90","","11481.1","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C482 H460 Cl20 Dy8 N16 Ni8 O80 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1828","0.1138","","","0.2803","0.3192","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223520","12.5403","0.0007","14.7915","0.001","18.88","0.002","100.291","0.008","106.198","0.007","105.143","0.005","3124.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0524","0.0437","","","0.107","0.1165","","","","","","1.083","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223521","20.462","0.0007","20.8069","0.0007","27.3553","0.0007","90","","98.444","0.003","90","","11520.3","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H114 Br6 Dy2 N4 Ni2 O26 -","- C108 H102 Br6 Dy2 N4 Ni2 O24 -","- C432 H408 Br24 Dy8 N16 Ni8 O96 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.0746","0.0501","","","0.131","0.1431","","","","","","1.018","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223522","38.159","0.003","38.159","0.003","18.7654","0.0013","90","","90","","120","","23664","3","100","","100","","","","","","","","","6","R -3","-R 3","148","","","","- C122 H130 Dy2 N4 Ni2 O24 -","- C118 H118 Dy2 N4 Ni2 O22 -","- C1062 H1062 Dy18 N36 Ni18 O198 -","9","","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0553","0.0408","","","0.1095","0.1157","","","","","","0.992","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223523","15.8855","0.0006","17.2105","0.0011","20.5903","0.0011","90","","96.747","0.004","90","","5590.3","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C204 H220 Cl4 Dy4 N20 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0708","0.0464","","","0.1115","0.122","","","","","","1.075","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223524","12.1724","0.0012","14.1352","0.0015","19.123","0.002","90","","99.425","0.011","90","","3245.9","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C128 H144 Cl4 Dy4 N8 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1319","0.065","","","0.0947","0.13","","","","","","0.872","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223525","16.6632","0.0004","18.8674","0.0003","15.7017","0.0003","90","","109.993","0.003","90","","4638.98","0.18","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0501","0.0382","","","0.0885","0.0976","","","","","","1.039","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223526","10.947","0.002","11.0433","0.0016","17.924","0.004","99.305","0.015","96.75","0.017","90.261","0.013","2122.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Co3 N6 O12 S3 -","- C42 H30 Co3 N6 O12 S3 -","- C84 H60 Co6 N12 O24 S6 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.3281","0.2028","","","0.4767","0.5315","","","","","","1.164","","","","has coordinates","175954","2020-10-21","18:00:00",""
"7223527","10.6132","0.0005","13.4256","0.0007","17.8366","0.0012","78.86","0.005","76.42","0.005","72.302","0.004","2333.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0796","0.0623","","","0.1531","0.1623","","","","","","1.068","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223528","10.5028","0.0002","13.3758","0.0003","17.9703","0.0003","78.0998","0.0015","75.4371","0.0016","71.7708","0.0018","2298.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0417","0.0361","","","0.0942","0.0976","","","","","","1.051","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223529","26.232","0.007","26.232","0.007","26.232","0.007","90","","90","","90","","18051","8","298","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C92 H168 Cu12 Mo N5 O130 Si W11 -","- C80 H48.0048 Cu12 Mo0.9996 N2 O106 Si W11.0004 -","- C320 H192.019 Cu48 Mo3.9984 N8 O424 Si4 W44.0016 -","4","0.0208333","","Li, Chong; Sun, Minghui; Xu, Lin; Wang, Yuchao; Huang, Jiawei","The first heteropoly blue-embedded metal‒organic framework: crystal structure, magnetic property and proton conductivity","CrystEngComm","2016","18","4","596","","10.1039/C5CE02074C","","","0.71073","MoKα","","0.0801","0.0635","","","0.2109","0.233","","","","","","1.09","","","","has coordinates,has disorder","175949","2020-10-21","18:00:00",""
"7223540","9.1586","0.0007","9.5032","0.0007","13.9208","0.0008","95.383","0.003","91.851","0.002","107.7","0.004","1146.8","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 N4 O13.50 Sm","","","- C15 H24 N4 O13.5 Sm -","- C15 H13 N4 O13.5 Sm -","- C30 H26 N8 O27 Sm2 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0356","0.0307","","","0.073","0.0747","","","","","","1.001","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223541","9.1406","0.0009","9.4909","0.001","13.9426","0.0012","95.29","0.004","91.86","0.004","107.708","0.004","1145","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Eu N4 O13.50","","","- C15 H24 Eu N4 O13.5 -","- C15 H13 Eu N4 O13.5 -","- C30 H26 Eu2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0411","0.038","","","0.1006","0.1033","","","","","","1.057","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223542","9.0892","0.0004","9.4506","0.0006","13.922","0.0007","95.202","0.004","91.845","0.004","107.559","0.004","1133.23","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Gd N4 O13.50","","","- C15 H24 Gd N4 O13.5 -","- C15 H13 Gd N4 O13.5 -","- C30 H26 Gd2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.038","0.0338","","","0.0822","0.0853","","","","","","1.003","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223543","9.117","0.002","9.474","0.002","13.956","0.003","95.423","0.005","91.643","0.004","107.538","0.005","1142.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C15 H24 N4 O13.50 Eu0.12 Gd0.88","","","- C15 H24 Eu0.12 Gd0.88 N4 O13.5 -","- C15 H13 Eu0.12 Gd0.88 N4 O13.5 -","- C30 H26 Eu0.24 Gd1.76 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0239","0.0216","","","0.0619","0.0633","","","","","","1.044","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223544","11.8801","0.0011","13.7323","0.0017","13.9872","0.0019","84.567","0.011","79.104","0.009","79.225","0.009","2197.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 O13 Zn -","- C54 H36 N4 O13 Zn -","- C108 H72 N8 O26 Zn2 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1717","0.077","","","0.1251","0.1885","","","","","","1.015","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223545","8.0674","0.001","9.264","0.0015","13.4563","0.0018","72.758","0.013","83.095","0.011","82.579","0.012","948.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1322","0.0791","","","0.1877","0.2333","","","","","","1.032","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223546","8.0767","0.0004","9.4789","0.0008","13.3988","0.0011","73.886","0.007","83.844","0.005","80.81","0.006","970.69","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1015","0.0597","","","0.1188","0.1428","","","","","","1.061","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223547","14.4","0.002","13.9197","0.0017","17.1576","0.0019","90","","90","","90","","3439.1","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H30 N4 Ni O9 -","- C39 H30 N4 Ni O9 -","- C156 H120 N16 Ni4 O36 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1888","0.0937","","","0.1745","0.2294","","","","","","1.001","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223548","20.3729","0.0006","9.7388","0.0003","17.7787","0.0006","90","","90","","90","","3527.43","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H23 Cd2 Cl N4 O6 -","- C39 H23 Cd2 Cl N4 O6 -","- C156 H92 Cd8 Cl4 N16 O24 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.0685","0.0515","","","0.1234","0.1411","","","","","","1.042","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223549","20.505","0.002","10.3482","0.0009","29.521","0.004","90","","113.518","0.015","90","","5743.7","1.3","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 N4 Ni3 O16 -","- C49 H42 N4 Ni3 O16 -","- C196 H168 N16 Ni12 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1558","0.0837","","","0.1803","0.2257","","","","","","0.933","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223550","20.6","0.005","10.4271","0.0011","29.646","0.005","90","","113.51","0.02","90","","5839","2","297.16","0.1","297.16","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Co3 N6 O16 -","- C60 H52 Co3 N6 O16 -","- C240 H208 Co12 N24 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1608","0.0829","","","0.168","0.2278","","","","","","1.041","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223551","12.058","0.0007","12.3182","0.0006","15.3976","0.0008","67.945","0.005","88.887","0.004","80.778","0.004","2090.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Co3.5 N2 O17 -","- C40 H33 Co3.5 N2 O17 -","- C80 H66 Co7 N4 O34 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1173","0.0704","","","0.1741","0.2193","","","","","","1.022","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223552","13.48481","0.00014","12.1638","0.00014","17.6457","0.0002","90","","95.1954","0.001","90","","2882.47","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O14 Pb3 -","- C30 H18 O14 Pb3 -","- C120 H72 O56 Pb12 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","1.54184","CuKα","","0.0432","0.0287","","","0.0493","0.052","","","","","","0.965","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223579","15.2164","0.0012","13.1809","0.001","29.309","0.002","90","","92.577","0.003","90","","5872.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N8 O5 S4 -","- C60 H70 N8 O5 S4 -","- C240 H280 N32 O20 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1732","0.1114","","","0.2497","0.2668","","","","","","1.124","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223580","26.6378","0.0006","12.7707","0.0003","19.6019","0.0004","90","","115.002","0.001","90","","6043.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 N8 S8 -","- C60 H72 N8 S8 -","- C240 H288 N32 S32 -","4","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.068","0.0479","","","0.1393","0.1568","","","","","","1.004","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223581","18.8461","0.0013","19.0515","0.0011","19.1473","0.001","99.994","0.003","113.12","0.002","115.126","0.0017","5224.5","0.6","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C143 H187 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","1","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.099","0.0713","","","0.2203","0.2441","","","","","","1.08","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223582","36.0428","0.001","12.4438","0.0003","20.2117","0.0007","90","","121.056","0.0017","90","","7765.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ag N5 O4 S4 -","- C34 H46 Ag N5 O4 S4 -","- C272 H368 Ag8 N40 O32 S32 -","8","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0819","0.0573","","","0.1489","0.165","","","","","","1.048","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223583","15.6888","0.0004","17.4322","0.0005","17.6605","0.0005","80.598","0.001","76.588","0.001","71.025","0.001","4422.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C132 H164 Ag4 Cl12 F24 N16 S16 Sb4 -","2","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0973","0.0646","","","0.1905","0.2215","","","","","","1.034","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223584","24.958","0.003","24.958","0.003","13.8496","0.0019","90","","90","","90","","8626.9","1.9","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 S4 Sb -","- C30 H36 Ag F6 N4 O3 S4 Sb -","- C240 H288 Ag8 F48 N32 O24 S32 Sb8 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1457","0.1092","","","0.3064","0.332","","","","","","1.005","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223585","24.2538","0.0009","24.2538","0.0009","13.6809","0.0005","90","","90","","90","","8047.7","0.5","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 P S4 -","- C30 H36 Ag F6 N4 O3 P S4 -","- C240 H288 Ag8 F48 N32 O24 P8 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0535","0.0495","","","0.1563","0.1644","","","","","","1.009","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223586","16.0983","0.0005","16.0983","0.0005","54.7728","0.0015","90","","90","","90","","14194.7","0.7","173","2","173","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C60 H74 Ag2 B2 F8 N8 O S8 -","- C60 H72 Ag2 B2 F8 N8 O S8 -","- C480 H576 Ag16 B16 F64 N64 O8 S64 -","8","","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1221","0.0796","","","0.2152","0.2376","","","","","","1.078","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223587","24.4165","0.0008","24.4165","0.0008","13.7457","0.0004","90","","90","","90","","8194.7","0.4","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag As F6 N4 O3 S4 -","- C30 H36 Ag As F6 N4 O3 S4 -","- C240 H288 Ag8 As8 F48 N32 O24 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0602","0.0485","","","0.1444","0.1516","","","","","","1.008","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223588","16.8948","0.0003","14.6737","0.0003","30.1055","0.0006","90","","90.706","0.001","90","","7462.9","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C276 H356 Ag4 Cl12 F24 N32 O16 S16 Sb4 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0806","0.0591","","","0.1543","0.1704","","","","","","1.023","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223589","22.7969","0.0011","17.2741","0.0008","19.4952","0.0009","90","","103.786","0.0009","90","","7456","0.6","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C68 H94 Ag B F4 N8 O7 S4 -","- C68 H88 Ag B F4 N8 O7 S4 -","- C272 H352 Ag4 B4 F16 N32 O28 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1232","0.0829","","","0.2117","0.2471","","","","","","1.022","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223590","34.813","0.003","20.6402","0.0019","16.304","0.0015","90","","102.678","0.001","90","","11429.6","1.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cageAg3PF6","","","- C110 H140 Ag3 F18 N12 O12 P3 -","- C102 H124 Ag3 F18 N12 O8 P3 -","- C408 H496 Ag12 F72 N48 O32 P12 -","4","1","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","0.71073","MoKα","","0.1336","0.0707","","","0.1916","0.2158","","","","","","0.959","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223591","19.0224","0.0007","15.7764","0.0007","38.4287","0.0015","90","","102.187","0.002","90","","11272.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag0.4 F2.4 N1.73 O0.53 P0.4 -","- C16 H16 Ag0.4 F2.4 N1.73333 O0.533333 P0.4 -","- C480 H480 Ag12 F72 N52 O16 P12 -","30","7.5","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","1.54178","CuKα","","0.0719","0.0532","","","0.1322","0.1438","","","","","","1.009","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223596","10.5124","0.0003","10.558","0.0003","20.3568","0.0007","90","","97.39","0.003","90","","2240.63","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,2,2-triiodovinyl)benzene","","- C8 H5 I3 -","- C8 H5 I3 -","- C64 H40 I24 -","8","2","","Berger, G.; Robeyns, K.; Soubhye, J.; Wintjens, R.; Meyer, F.","Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study","CrystEngComm","2016","18","5","683","","10.1039/C5CE02230D","","","0.71073","MoKα","","0.0777","0.0726","","","0.2182","0.2233","","","","","","1.056","","","","has coordinates,has disorder","175968","2020-10-21","18:00:00",""
"7223597","10.8729","0.0004","13.4826","0.0005","14.3867","0.0005","87.715","0.001","69.113","0.001","72.445","0.001","1873.23","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0341","0.028","","","0.0746","0.0772","","","","","","1.048","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223598","9.9421","0.0005","10.2311","0.0005","11.0928","0.0005","84.353","0.001","89.574","0.001","88.018","0.001","1122.19","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu Mo4 N3 O17 -","- C12 H8 Cu Mo4 N3 O17 -","- C24 H16 Cu2 Mo8 N6 O34 -","2","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0282","0.0243","","","0.0637","0.0654","","","","","","1.064","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223599","12.1956","0.0009","12.8736","0.001","14.2679","0.0011","81.879","0.002","71.871","0.001","76.485","0.001","2064.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0384","0.0306","","","0.0791","0.0823","","","","","","1.046","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223612","16.5478","0.001","16.5478","0.0012","12.4353","0.0015","90","","90","","120","","2949","0.5","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","0.71073","MoKα","","0.0618","0.056","","","0.1504","0.1542","","","","","","1.097","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223613","16.5272","0.0005","16.5272","0.0005","12.7024","0.0005","90","","90","","120","","3004.8","0.17","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","1.54184","CuKα","","0.0557","0.0467","","","0.1433","0.1525","","","","","","1.112","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223614","8.3971","0.0002","8.3248","0.0003","9.1806","0.0003","90","","91.672","0.003","90","","641.49","0.03","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","0.71073","MoKα","","0.0313","0.0278","","","0.0692","0.0724","","","","","","1.072","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223615","12.4821","0.0003","15.644","0.0005","23.8049","0.0007","95.809","0.003","99.751","0.002","106.037","0.002","4348.9","0.2","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H58 I N O12 -","- C45 H58 I N O12 -","- C180 H232 I4 N4 O48 -","4","2","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","1.54184","CuKα","","0.1009","0.0722","","","0.1809","0.2095","","","","","","1.04","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223616","12.559","0.003","24.734","0.005","14.682","0.003","90","","90.28","0.03","90","","4560.7","1.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N2 O10 -","- C52 H62 N2 O10 -","- C208 H248 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1197","0.0624","","","0.1372","0.1622","","","","","","1.014","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223617","11.929","0.002","12.698","0.003","17.705","0.004","76.17","0.03","75.84","0.03","84.38","0.03","2522.8","1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","1","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1659","0.0979","","","0.2502","0.2987","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223618","9.136","0.0018","11.097","0.002","22.784","0.005","92.12","0.03","96.27","0.03","103.65","0.03","2226.5","0.8","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H63 N O12 -","- C48 H63 N O12 -","- C96 H126 N2 O24 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.0733","0.0534","","","0.1222","0.133","","","","","","1.023","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223619","12.672","0.003","24.549","0.005","16.932","0.003","90","","103.57","0.03","90","","5120.2","1.9","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 O14 -","- C52 H78 N2 O14 -","- C208 H312 N8 O56 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1217","0.0743","","","0.1897","0.2168","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223621","9.706","0.0008","9.8389","0.0009","20.4971","0.0018","91.899","0.001","92.021","0.001","109.147","0.002","1845.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Co N4 O8 -","- C46 H32 Co N4 O8 -","- C92 H64 Co2 N8 O16 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1126","0.0472","","","0.0755","0.0853","","","","","","0.9893","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223622","9.2805","0.0007","10.7128","0.0008","17.9162","0.0015","103.41","0.002","102.141","0.002","94.265","0.001","1679.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co2 N4 O9 -","- C38 H32 Co2 N4 O9 -","- C76 H64 Co4 N8 O18 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0987","0.0523","","","0.0769","0.0839","","","","","","0.984","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223623","6.615","0.0005","10.2951","0.0009","14.1409","0.0012","111.3","0.002","92.619","0.001","96.173","0.001","888.3","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0721","0.0531","","","0.1251","0.1368","","","","","","0.9988","","","","has coordinates,has disorder","175956","2020-10-21","18:00:00",""
"7223624","9.3587","0.0007","9.74","0.0008","10.5441","0.0009","68.781","0.001","64.02","0.001","88.873","0.002","794.29","0.11","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0702","0.0509","","","0.0898","0.1034","","","","","","1.046","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223625","8.952","0.0007","10.1019","0.0009","10.887","0.002","90.87","0.001","104.28","0.001","111.042","0.002","884.61","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 Ni O4 -","- C19 H15 N2 Ni O4 -","- C38 H30 N4 Ni2 O8 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1491","0.0862","","","0.1758","0.1906","","","","","","0.996","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223626","8.051","0.0008","10.0389","0.0009","18.4301","0.0015","87.918","0.002","79.934","0.001","87.256","0.002","1464.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O10 -","- C34 H26 Cd N2 O10 -","- C68 H52 Cd2 N4 O20 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1118","0.0983","","","0.2609","0.2766","","","","","","1.079","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223627","11.105","0.0011","19.2931","0.0016","15.0216","0.0011","90","","125.643","0.005","90","","2615.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N2 O10 -","- C30 H20 Cd2 N2 O10 -","- C120 H80 Cd8 N8 O40 -","4","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1531","0.081","","","0.1595","0.1776","","","","","","1.028","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223633","21.2904","0.0004","21.2904","0.0004","19.3576","0.0007","90","","90","","90","","8774.4","0.4","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Eu4 N O37 -","- C83 H75 Eu4 N O37 -","- C332 H300 Eu16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0478","0.0306","","","0.0723","0.0778","","","","","","1.048","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223634","21.2232","0.0006","21.2232","0.0006","19.346","0.0011","90","","90","","90","","8713.9","0.6","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Gd4 N O37 -","- C83 H75 Gd4 N O37 -","- C332 H300 Gd16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0438","0.0329","","","0.0825","0.0874","","","","","","1.071","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223635","21.1619","0.0009","21.1619","0.0009","19.2599","0.0015","90","","90","","90","","8625.1","0.8","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Dy4 N O37 -","- C83 H75 Dy4 N O37 -","- C332 H300 Dy16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0568","0.0366","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223636","8.8422","0.0014","20.71","0.004","18.256","0.003","90","","111.944","0.01","90","","3100.9","1","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Eu N4 O10 -","- C34 H26 Br Eu N4 O10 -","- C136 H104 Br4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1052","0.0492","","","0.077","0.0917","","","","","","0.964","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223637","8.8847","0.0013","20.515","0.003","18.2437","0.0018","90","","111.624","0.005","90","","3091.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C136 H104 Br2 Cl2 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0865","0.0562","","","0.1379","0.1564","","","","","","1.066","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223638","8.8828","0.0008","20.4075","0.0016","18.1897","0.0015","90","","111.389","0.005","90","","3070.2","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Eu N4 O10 -","- C34 H26 Cl Eu N4 O10 -","- C136 H104 Cl4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1571","0.0762","","","0.1439","0.1777","","","","","","1.013","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223639","8.86","0.005","20.463","0.011","18.141","0.008","90","","111.41","0.02","90","","3062","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N4 O10 Tb -","- C34 H26 Cl N4 O10 Tb -","- C136 H104 Cl4 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0632","0.0404","","","0.0863","0.0949","","","","","","1.026","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223640","8.844","0.0012","20.509","0.003","18.1951","0.0018","90","","111.645","0.005","90","","3067.5","0.7","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C136 H104 Br2 Cl2 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0585","0.0459","","","0.1228","0.132","","","","","","1.059","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223641","23.6157","0.0017","9.9206","0.0007","27.2126","0.0017","90","","96.51","0.004","90","","6334.3","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N4 O10 Tb -","- C34 H26 Br N4 O10 Tb -","- C272 H208 Br8 N32 O80 Tb8 -","8","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0628","0.035","","","0.0643","0.0734","","","","","","0.999","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223642","8.8072","0.0006","20.3895","0.0018","18.0976","0.0018","90","","110.985","0.007","90","","3034.3","0.5","295.06","0.1","295.06","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Gd N4 O10 -","- C34 H26 Cl Gd N4 O10 -","- C136 H104 Cl4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71073","MoKα","","0.0916","0.0654","","","0.151","0.1694","","","","","","1.092","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223643","8.7794","0.0004","20.4692","0.0008","18.1663","0.0007","90","","111.26","0.004","90","","3042.4","0.2","295.06","0.1","295.06","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C136 H104 Br2 Cl2 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71","MoKα","","0.0803","0.0585","","","0.1326","0.153","","","","","","1.051","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223644","8.865","0.013","20.83","0.03","18.31","0.03","90","","111.81","0.06","90","","3139","8","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Gd N4 O10 -","- C34 H26 Br Gd N4 O10 -","- C136 H104 Br4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0864","0.0478","","","0.1003","0.1174","","","","","","1.009","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223645","9.8308","0.0005","12.7386","0.0005","14.0472","0.0006","80.597","0.004","84.851","0.004","88.345","0.004","1728.32","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 N16 O Zn3 -","- C28 H20 Cl4 N16 O Zn3 -","- C56 H40 Cl8 N32 O2 Zn6 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1083","0.0575","","","0.0753","0.0917","","","","","","0.973","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223646","8.481","0.0004","17.5518","0.0005","18.3575","0.0005","90","","90","","90","","2732.64","0.17","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H8 Cl3 N9 Zn2 -","- C20 H8 Cl3 N9 Zn2 -","- C80 H32 Cl12 N36 Zn8 -","4","0.5","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0945","0.0565","","","0.1365","0.1523","","","","","","1.045","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223647","21.4709","0.0014","21.4709","0.0014","11.969","0.0011","90","","90","","120","","4778.5","0.6","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 Cl6 N24 O2 -","- C42 H24 Cd6 Cl6 N24 O2 -","- C126 H72 Cd18 Cl18 N72 O6 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0703","0.0435","","","0.0851","0.1011","","","","","","1.087","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223648","22.0601","0.0014","22.0601","0.0014","11.9194","0.0015","90","","90","","120","","5023.4","0.8","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 I6 N24 O -","- C42 H24 Cd6 I6 N24 O0.98 -","- C126 H72 Cd18 I18 N72 O2.94 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0592","0.0473","","","0.1167","0.1262","","","","","","1.049","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223649","13.269","0.002","15.3212","0.0014","9.0739","0.0011","90","","94.921","0.016","90","","1837.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cd2 N8 O -","- C14 H10 Br2 Cd2 N8 O -","- C56 H40 Br8 Cd8 N32 O4 -","4","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1191","0.0648","","","0.1381","0.1686","","","","","","1.028","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223650","7.5634","0.0004","10.2048","0.0004","14.7545","0.0007","77.097","0.004","84.449","0.004","88.279","0.004","1104.79","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd2 I4 N8 -","- C14 H10 Cd2 I4 N8 -","- C28 H20 Cd4 I8 N16 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0658","0.055","","","0.1465","0.1563","","","","","","1.044","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223651","16.0033","0.0007","11.5923","0.0005","22.053","0.001","90","","94.549","0.002","90","","4078.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 O28 S8 -","- C72 H96 O28 S8 -","- C144 H192 O56 S16 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1084","0.0705","","","0.1585","0.1818","","","","","","1.024","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223652","13.312","0.0003","17.0039","0.0004","22.7649","0.0005","105.34","0.001","102.612","0.001","106.369","0.001","4522.76","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 O30 S14 -","- C56 H36 O16 -","- C112 H72 O32 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1907","0.1669","","","0.5569","0.5766","","","","","","2.49","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223653","10.3128","0.0004","13.6528","0.0005","15.1819","0.0006","113.311","0.002","105.47","0.002","95.699","0.002","1840.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0731","0.0433","","","0.0907","0.1018","","","","","","1.019","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223654","13.9805","0.0014","16.3367","0.0016","24.278","0.002","77.851","0.001","73.707","0.001","73.719","0.001","5056.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1706","0.0721","","","0.2033","0.2652","","","","","","1.074","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223655","13.5643","0.001","14.1911","0.0011","15.9372","0.0012","110.429","0.004","109.634","0.004","92.886","0.005","2658.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1214","0.0744","","","0.1725","0.1928","","","","","","1.02","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223656","12.9732","0.0018","14.665","0.002","15.949","0.002","97.687","0.002","112.271","0.002","98.894","0.002","2712.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1176","0.0996","","","0.2633","0.2742","","","","","","1.103","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223657","12.3525","0.0006","13.8124","0.0008","15.0196","0.0008","112.326","0.002","112.595","0.002","93.556","0.002","2122.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1651","0.135","","","0.4052","0.4342","","","","","","1.828","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223658","10.6715","0.0003","16.8763","0.0005","24.6079","0.0007","97.9","0.001","102.264","0.001","99.408","0.001","4203.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1385","0.1296","","","0.2455","0.2491","","","","","","1.086","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223659","12.5293","0.0012","13.2447","0.0012","13.6375","0.0013","112.439","0.001","109.559","0.001","92.935","0.001","1929","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0605","0.0409","","","0.0954","0.1045","","","","","","1.032","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223660","13.6701","0.0002","16.5031","0.0003","21.1363","0.0003","90","","99.896","0.001","90","","4697.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 O24 S12 -","- C80 H120 O24 S12 -","- C160 H240 O48 S24 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1532","0.1465","","","0.4846","0.4988","","","","","","2.554","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223661","13.887","0.002","15.638","0.002","23.205","0.003","99.446","0.002","101.639","0.002","114.753","0.002","4303.6","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1307","0.0655","","","0.1579","0.1962","","","","","","1.022","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223662","12.108","0.0012","13.5922","0.0013","26.446","0.003","88.602","0.001","85.738","0.001","83.463","0.001","4311.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H112 O20 S8 -","- C80 H112 O20 S8 -","- C160 H224 O40 S16 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0995","0.051","","","0.1027","0.1204","","","","","","1.021","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223663","13.065","0.0003","14.1576","0.0003","15.2003","0.0003","72.404","0.001","76.963","0.001","75.955","0.001","2564.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.0618","0.0574","","","0.1696","0.1747","","","","","","1.054","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223717","12.135","0.015","3.979","0.005","18.38","0.02","90","","91.4","0.03","90","","887.2","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalaldehydic acid cyclised isomer 15.","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0597","0.0424","","","0.1017","0.1102","","","","","","0.97","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223718","14.953","0.002","5.0185","0.0006","12.3691","0.0019","90","","100.389","0.013","90","","913","0.2","151","2","151","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","lithium naphthalaldehydate Li.14","","- C12 H7 Li O3 -","- C12 H7 Li O3 -","- C48 H28 Li4 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.1705","0.1629","","","0.4689","0.4719","","","","","","1.193","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223719","7.3837","0.0004","30.138","0.002","4.8965","0.0003","90","","90","","90","","1089.62","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthaldic acid potassium salt .1H2O K.14.H2O","","- C12 H9 K O4 -","- C12 H9 K O4 -","- C48 H36 K4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.0858","0.0782","","","0.1806","0.1848","","","","","","1.122","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223720","7.852","0.006","29.89","0.02","4.998","0.003","90","","90","","90","","1173","1.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O","","- C12 H9 Cs O4 -","- C12 H9 Cs O4 -","- C48 H36 Cs4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0586","0.0478","","","0.093","0.0994","","","","","","1.051","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223721","20.9749","0.0014","19.1882","0.0006","13.2738","0.0004","90","","90","","90","","5342.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C248 H200 N24 O24 -","8","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0518","0.0394","","","0.094","0.1004","","","","","","1.04","","","","has coordinates,has disorder","175958","2020-10-21","18:00:00",""
"7223722","9.0149","0.0005","9.7808","0.0005","18.7439","0.0011","90","","102.981","0.005","90","","1610.47","0.16","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetramethylguanidinium naphthalaldehydate,(Me2N)2CNH2.15","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0691","0.0527","","","0.1008","0.1069","","","","","","1.154","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223723","15.3271","0.0004","8.3575","0.0003","20.696","0.0006","90","","105.966","0.003","90","","2548.81","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-dimethylaminopyridium naphthalaldehydate.naphthalaldehydic acidDMAP.14.15","","- C31 H26 N2 O6 -","- C31 H26 N2 O6 -","- C124 H104 N8 O24 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0806","0.0626","","","0.1327","0.1414","","","","","","1.098","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223724","8.6","0.0004","8.6685","0.0004","9.647","0.0006","101.959","0.007","106.112","0.008","105.087","0.007","636.12","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Morpholinyl)-1H,3H-naphtho[1,8-cd]pyran-1-one, A","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0403","0.0363","","","0.102","0.1047","","","","","","1.073","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223725","34.2012","0.0019","10.3247","0.0006","12.1234","0.0006","90","","90","","90","","4281","0.4","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H14 Cl N5 -","- C8 H14 Cl N5 -","- C128 H224 Cl16 N80 -","16","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.0506","0.0442","","","0.1126","0.1182","","","","","","1.043","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223726","4.439","0.0009","11.98","0.002","17.852","0.004","90","","94.04","0.03","90","","947","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Cl N5 -","- C7 H12 Cl N5 -","- C28 H48 Cl4 N20 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","Synchrotron","","0.0455","0.0437","","","0.128","0.1304","","","","","","1.06","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223727","19.847","0.004","9.616","0.0019","23.793","0.005","90","","90","","90","","4540.9","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N10 -","- C16 H28 Cl2 N10 -","- C128 H224 Cl16 N80 -","8","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.152","0.1101","","","0.2366","0.2566","","","","","","1.141","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223728","11.908","0.003","19.374","0.007","15.441","0.005","90","","105.86","0.02","90","","3426.7","1.9","150","2","150.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl10 N10 -","- C20 H32 Cl10 N10 -","- C80 H128 Cl40 N40 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.2937","0.1058","","","0.2634","0.3773","","","","","","0.981","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223729","14.8405","0.0006","10.2671","0.0004","20.6587","0.0009","90","","110.219","0.001","90","","2953.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Phloroglucinol Hydrate","","- C29 H33 Cl2 N3 O6 -","- C29 H33 Cl2 N3 O6 -","- C116 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0824","0.073","","","0.2054","0.2151","","","","","","1.08","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223730","14.7282","0.0012","9.882","0.0008","20.8815","0.0014","90","","111.174","0.005","90","","2834","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Resorcinol","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C116 H132 Cl8 N12 O16 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0421","0.0363","","","0.1021","0.1075","","","","","","1.026","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223731","14.7513","0.0016","9.9206","0.0011","20.9131","0.0017","90","","111.104","0.006","90","","2855.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Catechol Hydrate","","- C29 H33 Cl2 N3 O4.29 -","- C29 H33 Cl2 N3 O4.293 -","- C116 H132 Cl8 N12 O17.172 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0781","0.0648","","","0.156","0.1647","","","","","","1.124","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223732","6.9061","0.0008","9.4544","0.0011","22.484","0.003","96.056","0.002","95.355","0.002","100.696","0.002","1424.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1:1 cocrystal of Aripiprazole and Hydroquinone","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C58 H66 Cl4 N6 O8 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0827","0.0493","","","0.1177","0.1348","","","","","","1.016","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223733","14.7016","0.0011","9.9378","0.0007","20.9827","0.0012","90","","111.121","0.004","90","","2859.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Pyrograllol Hydrate","","- C29 H33 Cl2 N3 O5.26 -","- C29 H33 Cl2 N3 O5.256 -","- C116 H132 Cl8 N12 O21.024 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0375","0.0335","","","0.0935","0.0977","","","","","","1.03","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223734","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223735","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223736","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223737","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223738","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223739","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223740","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223741","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223750","28.281","0.004","20.849","0.003","30.699","0.004","90","","90.994","0.009","90","","18098","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CalciumMOF","","","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C580 H436 Ca28 N20 O184 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.2647","0.125","","","0.2347","0.2952","","","","","","0.943","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223751","18.2197","0.0011","31.5978","0.0017","29.862","0.002","90","","101.311","0.003","90","","16857.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","strontiumMOF","","","- C56 H43 N O14.5 Sr2.5 -","- C56 H43 N O14.5 Sr2.5 -","- C448 H344 N8 O116 Sr20 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.1587","0.0809","","","0.186","0.2169","","","","","","1.008","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223752","7.2993","0.0002","19.3615","0.0006","26.0984","0.0009","90","","90","","90","","3688.4","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","BariumMOF","","","- C29 H17 Ba N O7 -","- C29 H17 Ba N O7 -","- C116 H68 Ba4 N4 O28 -","4","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.0557","0.0451","","","0.1318","0.1456","","","","","","1.255","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223753","18.9997","0.0007","9.4546","0.0003","7.4275","0.0003","90","","95.743","0.004","90","","1327.54","0.08","120","0.1","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 anthraquinone-dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.7107","MoKα","","0.0621","0.0441","","","0.1075","0.1193","","","","","","1.038","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223754","19.0868","0.0008","9.4849","0.0004","7.4588","0.0003","90","","94.757","0.004","90","","1345.66","0.1","302.3","0.6","302.3","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinone dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0375","0.034","","","0.0939","0.0974","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223755","8.0799","0.0002","10.6463","0.0002","14.6639","0.0003","90","","102.507","0.002","90","","1231.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinonedicarboxylate","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.035","0.0327","","","0.0912","0.0938","","","","","","1.093","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223756","8.1681","0.0004","10.6558","0.0005","14.7002","0.0007","90","","101.68","0.005","90","","1252.98","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.0403","0.0349","","","0.0938","0.0993","","","","","","1.036","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223757","8.0703","0.0003","5.1497","0.0002","14.7759","0.0005","90","","95.073","0.003","90","","611.68","0.04","121","2","121","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilithium 1,5-dihydroxyanthraquinone","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C28 H20 Li4 O12 -","2","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0305","0.0294","","","0.0804","0.0812","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223758","8.0719","0.0003","5.1821","0.0002","14.8188","0.0005","90","","94.926","0.003","90","","617.57","0.04","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C28 H20 Li4 O12 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0368","0.034","","","0.0992","0.1017","","","","","","1.097","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223759","7.1641","0.0003","16.1044","0.0009","10.7351","0.0007","90","","90","","90","","1238.55","0.12","121.7","0.9","121.7","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium quinizarin","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C56 H40 Li8 O24 -","4","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0573","0.0551","","","0.1359","0.1375","","","","","","1.0348","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223760","7.1681","0.0003","16.0902","0.0006","10.7456","0.0006","90","","90","","90","","1239.36","0.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C56 H40 Li8 O24 -","8","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.054","0.0528","","","0.1298","0.1305","","","","","","1.0463","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223761","3.8011","0.0002","15.9753","0.0011","18.0272","0.0009","90","","90","","90","","1094.68","0.11","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H9 Li O5 -","- C14 H9 Li O5 -","- C56 H36 Li4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0638","0.0572","","","0.1404","0.1488","","","","","","1.049","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223762","3.6746","0.0002","16.1112","0.0011","18.1111","0.0014","90","","90","","90","","1072.22","0.13","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H7.5 Li O4.25 -","- C14 H7.4 Li O4.2 -","- C56 H29.6 Li4 O16.8 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1969","0.0829","","","0.1803","0.2168","","","","","","1.065","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223763","4.8535","0.0003","13.0952","0.001","18.9644","0.0012","90","","90","","90","","1205.33","0.14","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0514","0.0466","","","0.124","0.1285","","","","","","1.0713","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223764","4.8953","0.0004","13.2668","0.001","19.1081","0.0014","90","","90","","90","","1240.97","0.17","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-Hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1606","0.07","","","0.1328","0.1745","","","","","","1.0796","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223765","5.0112","0.0002","7.5031","0.0004","21.0358","0.0008","97.619","0.004","91.892","0.004","108.338","0.005","741.79","0.06","121","3","121","3","","","","","","","","4","P -1","-P 1","2","","1,5-dihydroxyanthraquinone lithium salt","","- C14 H16 Li2 O9 -","- C14 H16 Li2 O9 -","- C28 H32 Li4 O18 -","2","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0406","0.0358","","","0.0964","0.1022","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223766","7.3423","0.0002","10.0879","0.0002","14.4961","0.0003","90","","89.137","0.002","90","","1073.58","0.04","120","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hyrdoxy-4-nitiroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0478","0.0448","","","0.1334","0.1398","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223767","7.4696","0.0003","10.1464","0.0004","14.5732","0.0006","90","","90.118","0.004","90","","1104.49","0.08","300","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-Nitroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0997","0.0641","","","0.1919","0.2836","","","","","","1.1051","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7223768","12.0297","0.0005","12.0413","0.0006","13.5174","0.0005","90","","100.597","0.004","90","","1924.64","0.15","121","1","121","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0438","0.0373","","","0.1027","0.1088","","","","","","1.033","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223769","12.0519","0.0003","12.0497","0.0003","13.5108","0.0003","90","","101.003","0.003","90","","1925.99","0.08","300","0.14","300","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0383","0.0293","","","0.0789","0.0843","","","","","","1.039","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223772","11.243","0.002","18.664","0.004","21.085","0.004","90","","97.99","0.03","90","","4381.5","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C144 H224 Ag20 N60 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0287","0.0259","","","0.0619","0.0635","","","","","","1.008","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223773","11.365","0.005","9.329","0.004","20.985","0.01","90","","97.4147","0.0015","90","","2206.3","1.7","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C72 H112 Ag10 N30 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0392","0.0352","","","0.087","0.0905","","","","","","1.079","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223774","9.8861","0.0011","14.398","0.0015","15.8646","0.0017","91.955","0.001","73.911","0.001","74.304","0.001","2074.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H59 Ag4 N12 O0 -","- C35 H59 Ag4 N12 -","- C70 H118 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0317","0.0269","","","0.0629","0.0664","","","","","","1.028","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223775","10.37","0.0004","14.3641","0.0005","15.3164","0.0006","89.577","0.001","74.198","0.001","69.63","0.001","2048.28","0.13","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Ag4 N12 O0 -","- C32 H56 Ag4 N12 -","- C64 H112 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0309","","","0.0747","0.0839","","","","","","1.009","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223776","25.5782","0.0015","25.6108","0.0015","11.5927","0.0007","90","0.001","90","0.001","90","0.001","7594.1","0.8","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H99 Ag7 N21 O0.5 -","- C56 H98 Ag7 N21 O0.5 -","- C224 H392 Ag28 N84 O2 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0408","0.0394","","","0.0988","0.101","","","","","","1.083","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223777","16.332","0.002","16.332","","16.332","","90","","90","","90","","4356.3","0.5","113","2","113","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C14 H20 Ag N3 O0 -","- C14 H20 Ag N3 -","- C168 H240 Ag12 N36 -","12","0.25","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0521","0.0391","","","0.1002","0.1195","","","","","","1.095","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223778","21.8059","0.0006","20.5551","0.0005","22.2812","0.0005","90","","115.892","0.001","90","","8984.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H122 Ag8 N24 O -","- C71 H122 Ag8 N24 O -","- C284 H488 Ag32 N96 O4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.1281","0.0648","","","0.1768","0.2426","","","","","","1.073","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223779","19.8319","0.0012","19.8319","0.0012","15.2208","0.0019","90","","90","","120","","5184.4","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","EuTMBD-AgCl-H2S","","- C54 H68.43 Eu4 O27.22 S18 -","- C54 H68.4358 Eu4 O27.2179 S18 -","- C108 H136.872 Eu8 O54.4358 S36 -","2","0.333333","","He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Functional shakeup of metal‒organic frameworks: the rise of the sidekick","CrystEngComm","2015","17","48","9254","","10.1039/C5CE01790D","","","0.71073","MoKα","","0.0805","0.055","","","0.1303","0.1415","","","","","","1.026","","","","has coordinates,has disorder","173653","2020-10-21","18:00:00",""
"7223780","14.2377","0.0004","14.2377","0.0004","21.5385","0.0012","90","","90","","90","","4366.1","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H93 Cl Mn6 O31 P8 -","- C36 H84 Cl Mn6 O30 P8 -","- C72 H168 Cl2 Mn12 O60 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0661","0.0589","","","0.2101","0.2171","","","","","","1.071","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223781","14.2649","0.0004","14.2649","0.0004","21.6192","0.0013","90","","90","","90","","4399.2","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H101 Br Mn6 O35 P8 -","- C36 H84 Br Mn6 O35 P8 -","- C72 H168 Br2 Mn12 O70 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0778","0.0639","","","0.2","0.2164","","","","","","1.066","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223782","15.3067","0.0001","16.8196","0.0005","24.5506","0.0009","87.508","0.007","80.791","0.006","70.565","0.005","5883.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H121 Mn13 O57 P11 -","- C51 H121 Mn13 O57 P11 -","- C102 H242 Mn26 O114 P22 -","2","1","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0788","0.0587","","","0.1732","0.1975","","","","","","1.063","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223783","17.496","0.008","20.314","0.009","18.017","0.008","90","","96.771","0.007","90","","6359","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H150 K2 Mn15 O64 P10 -","- C72 H122 K2 Mn15 O64 P10 -","- C144 H244 K4 Mn30 O128 P20 -","2","0.5","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0931","0.0776","","","0.2187","0.2436","","","","","","1.015","","","","has coordinates,has disorder","194615","2020-10-21","18:00:00",""
"7223784","5.239","0.002","5.239","0.002","11.567","0.005","90","","90","","90","","317.5","0.2","296","2","296","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- Bi0.55 Mo O4 -","- Bi0.549 Mo O4 -","- Bi2.196 Mo4 O16 -","4","","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0195","0.018","","","0.0474","0.0486","","","","","","1.102","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223785","7.715","0.0001","11.5101","0.0002","11.1237","0.0002","90","","103.364","0.001","90","","961.04","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Bi2 Mo3 O12 -","- Bi2 Mo3 O12 -","- Bi8 Mo12 O48 -","4","1","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0247","0.0237","","","0.0587","0.0595","","","","","","1.149","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223786","18.041","0.002","10.0013","0.0013","7.0529","0.0009","90","","111.642","0.005","90","","1182.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-cadmium)","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0939","0.0822","","","0.2544","0.2627","","","","","","1.108","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223787","18.1586","0.0008","10.3322","0.0005","7.2771","0.0004","90","","110.45","0.03","90","","1279.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-cadmium)","","- C13 H9 Br2 Cd N -","- C13 H9 Br2 Cd N -","- C52 H36 Br8 Cd4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0534","0.0293","","","0.0713","0.0804","","","","","","1.07","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223788","17.7013","0.0008","10.792","0.0005","7.6053","0.0003","90","","107.355","0.002","90","","1386.72","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-iodido)-(acridine)-cadmium)","","- C13 H9 Cd I2 N -","- C13 H9 Cd I2 N -","- C52 H36 Cd4 I8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0379","0.0276","","","0.0642","0.0683","","","","","","1.074","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223789","16.6766","0.0009","10.0104","0.0005","7.0588","0.0003","90","","96.055","0.002","90","","1171.82","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(phenazine)-cadmium)","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0368","0.0295","","","0.0686","0.0715","","","","","","1.071","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223790","17.8278","0.0006","10.0406","0.0004","7.1913","0.0002","90","","111.792","0.002","90","","1195.27","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-mercury)","","- C13 H9 Cl2 Hg N -","- C13 H9 Cl2 Hg N -","- C52 H36 Cl8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0869","0.0745","","","0.1979","0.2099","","","","","","1.02","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223791","17.9548","0.0013","10.3152","0.0008","7.4205","0.0005","90","","110.814","0.002","90","","1284.64","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-mercury)","","- C13 H9 Br2 Hg N -","- C13 H9 Br2 Hg N -","- C52 H36 Br8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0387","0.025","","","0.0524","0.0561","","","","","","0.983","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223792","7.7038","0.0002","9.0194","0.0002","9.5803","0.0003","64.986","0.002","80.681","0.002","82.477","0.002","593.82","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(m2-chloro)-(phenazine)-mercury)","","- C12 H8 Cl2 Hg N2 -","- C12 H8 Cl2 Hg N2 -","- C24 H16 Cl4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.7107","MoKα","","0.0441","0.0296","","","0.0571","0.0587","","","","","","0.943","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223793","8.0543","0.0004","9.3336","0.0005","9.7594","0.0005","64.112","0.002","75.888","0.002","83.03","0.002","640.03","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(m2-bromo)-(phenazine)-mercury)","catena-(bis(m2-bromo)-(phenazine)-mercury)","","- C12 H8 Br2 Hg N2 -","- C12 H8 Br2 Hg N2 -","- C24 H16 Br4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0923","0.0787","","","0.203","0.2177","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7223794","4.0824","0.0002","9.6723","0.0005","11.1027","0.0005","71.406","0.002","80.156","0.002","78.525","0.002","404.48","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-bromo)-(2-phenazine)-mercury)","","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0272","0.0263","","","0.0691","0.07","","","","","","1.092","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223795","7.3885","0.0004","7.6432","0.0005","9.6655","0.0007","68.076","0.002","87.897","0.002","88.821","0.002","506","0.06","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-chloro)-(quinoline)-mercury)","","- C9 H7 Cl2 Hg N -","- C9 H7 Cl2 Hg N -","- C18 H14 Cl4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.048","0.0369","","","0.0794","0.087","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223796","7.6214","0.001","7.6716","0.0011","10.0092","0.0014","112.155","0.003","91.133","0.003","91.574","0.003","541.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(2-bromo)-(quinoline)-mercury)","catena-(bis(2-bromo)-(quinoline)-mercury)","","- C9 H7 Br2 Hg N -","- C9 H7 Br2 Hg N -","- C18 H14 Br4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0512","0.0402","","","0.0943","0.1006","","","","","","1.087","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223797","8.0024","0.0005","8.7714","0.0006","9.5211","0.0006","86.141","0.002","67.909","0.002","71.203","0.002","585.11","0.07","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(quinoline)-di-mercury","","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0629","0.0553","","","0.1415","0.1483","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223798","8.1694","0.0004","9.1306","0.0004","9.9609","0.0005","84.347","0.002","70.877","0.002","77.262","0.002","684.44","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(phenazine)-di-mercury","","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0257","0.0256","","","0.0677","0.0678","","","","","","1.207","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223799","5.8253","0.0007","8.3302","0.0005","42.609","0.002","90","","90","","90","","2067.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 S -","- C23 H26 O6 S -","- C92 H104 O24 S4 -","4","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0582","0.0527","","","0.1081","0.1103","","","","","","1.153","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223800","5.1361","0.0003","8.6117","0.0005","15.789","0.0008","90","","96.403","0.005","90","","694","0.07","291.85","0.1","291.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O5 S -","- C13 H18 O5 S -","- C26 H36 O10 S2 -","2","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0366","0.0345","","","0.0837","0.0856","","","","","","1.034","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223801","11.1679","0.0007","7.7832","0.0005","19.3582","0.0013","90","","100.192","0.007","90","","1656.1","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O5.5 S -","- C16 H23 O5.5 S -","- C64 H92 O22 S4 -","4","2","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0835","0.0655","","","0.1126","0.1213","","","","","","1.049","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223834","10.5276","0.0008","11.0184","0.0008","12.8075","0.0008","90","","100.792","0.007","90","","1459.36","0.18","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C52 H76 N8 O12 -","2","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","","0.71073","MoKα","","0.1416","0.079","","","0.1865","0.2206","","","","","","0.963","","","","has coordinates,has disorder","185173","2020-10-21","18:00:00",""
"7223835","8.9295","0.0002","15.865","0.0004","21.5604","0.0007","90","","90","","90","","3054.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","x-ray","0.71073","MoKα","","0.0416","0.0384","","","0.1045","0.1062","","","","","","1.152","","","","has coordinates","185173","2020-10-21","18:00:00",""
"7223836","28.2798","0.0011","28.2798","0.0011","5.9321","0.0003","90","","90","","120","","4108.6","0.3","170","2","170","","","","","","","","","3","P 65","P 65","170","","vitamin D3","","- C27 H44 O -","- C27 H44 O -","- C162 H264 O6 -","6","1","","Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng","Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability","CrystEngComm","2016","18","7","1101","","10.1039/C5CE02431E","","","0.71073","MoKα","","0.1118","0.0654","","","0.1492","0.1728","","","","","","1.021","","","","has coordinates,has disorder","177739","2020-10-21","18:00:00",""
"7223837","6.2713","0.0005","13.5593","0.0011","10.7931","0.0008","90","","97.635","0.009","90","","909.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 Pd S4 -","- C4 H6 O2 Pd S4 -","- C16 H24 O8 Pd4 S16 -","4","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0714","0.0421","","","0.0709","0.0834","","","","","","1.017","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223838","7.5034","0.0004","7.2125","0.0004","20.7854","0.0012","90","","90","","90","","1124.87","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54178","CuKα","","0.0282","0.0251","","","0.0691","0.0721","","","","","","1.127","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223839","7.4778","0.0004","9.5272","0.0006","9.8084","0.0005","74.832","0.005","86.458","0.004","76.292","0.005","655.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0473","0.0334","","","0.0694","0.0775","","","","","","1.068","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223840","9.9077","0.0006","5.872","0.0003","11.9621","0.0006","90","","102.752","0.005","90","","678.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0718","0.0741","","","","","","1.054","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223841","5.7038","0.0004","6.7822","0.0004","10.5967","0.0008","72.42","0.006","78.467","0.006","79.852","0.005","379.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0263","0.024","","","0.0613","0.0638","","","","","","1.103","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223842","6.0243","0.0004","8.0461","0.0006","8.9366","0.0007","111.05","0.007","99.851","0.006","103.836","0.006","376.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.0283","0.0282","","","0.0766","0.0769","","","","","","1.048","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223843","7.0663","0.0005","8.4457","0.0003","9.2536","0.0004","63.74","0.004","73.752","0.003","83.782","0.003","475.4","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0181","0.0166","","","0.0418","0.0429","","","","","","1.041","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223844","6.1398","0.0006","6.7176","0.0005","11.9393","0.001","90.02","0.007","99.397","0.007","95.377","0.007","483.63","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.059","0.0563","","","0.1583","0.1636","","","","","","1.081","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223845","6.882","0.0011","7.3531","0.0012","10.0455","0.001","70.305","0.012","70.788","0.012","67.164","0.015","429.42","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.058","0.0543","","","0.1584","0.1659","","","","","","1.093","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223846","6.5622","0.0004","6.8643","0.0005","9.8385","0.0007","84.811","0.006","76.424","0.006","83.388","0.006","427","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0327","0.0294","","","0.0781","0.0829","","","","","","1.129","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223847","6.2746","0.0003","6.3302","0.0004","11.4138","0.0006","79.69","0.005","88.152","0.004","86.065","0.005","444.89","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0276","0.0234","","","0.0472","0.0492","","","","","","1.066","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223848","6.8083","0.0005","7.5446","0.0004","10.4837","0.0008","101.008","0.006","98.983","0.006","112.048","0.006","474.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0329","0.0291","","","0.0644","0.0678","","","","","","1.08","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223863","14.07","0.006","14.07","0.006","19.864","0.008","90","","90","","120","","3406","2","100","2","100","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}","","- C45 H35 Cd3 N O15 -","- C42 H24 Cd3 O14 -","- C126 H72 Cd9 O42 -","3","0.166667","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.1186","0.0547","","","0.1396","0.1548","","","","","","1.006","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223864","47.928","0.004","13.828","0.001","26.187","0.002","90","","114.491","0.002","90","","15794","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu4-biphenyl-4,4'-dicarboxylato-kO:kO,O':kO'':kO'',O''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)trizinc(II)]pentakisdimethylformamide}","","- C69 H69 N9 O17 Zn3 -","- C54 H34 N4 O12 Zn3 -","- C432 H272 N32 O96 Zn24 -","8","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0877","0.0538","","","0.1338","0.1443","","","","","","0.925","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223865","15.174","0.002","15.185","0.002","18.174","0.002","81.094","0.003","84.734","0.003","78.952","0.003","4052.1","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)dizinc(II)]heptakisdimethylformamide}","","- C61 H75 N11 O15 Zn2 -","- C40 H26 N4 O8 Zn2 -","- C80 H52 N8 O16 Zn4 -","2","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0814","0.0598","","","0.1542","0.1605","","","","","","0.998","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223866","17.256","0.004","23.227","0.006","25.426","0.006","90","","90","","90","","10191","4","100","2","100","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","Poly{[diaquatris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')dimethylformamide(mu4-oxo)tetrazinc(II)]heptakisdimethylformamidetrihydrate}","","- C66 H88 N8 O25 Zn4 -","- C47.4 H24 N1.8 O16.8 Zn4 -","- C189.6 H96 N7.2 O67.2 Zn16 -","4","0.5","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0747","0.0711","","","0.1975","0.2018","","","","","","1.09","","","","has coordinates,has disorder","177755","2020-10-21","18:00:00",""
"7223867","17.726","0.002","17.726","0.002","38.491","0.005","90","","90","","90","","12094","2","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C24 H54 Co6 F12 N8 O43 -","- C24 H54 Co6 F12 N8 O43 -","- C192 H432 Co48 F96 N64 O344 -","8","","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","0.71073","MoKα","","0.0802","0.0531","","","0.1439","0.166","","","","","","1.038","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223868","32.9672","0.0002","32.9672","0.0002","32.9672","0.0002","90","","90","","90","","35829.9","0.4","153","2","153","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C42 H24 F18 Mn7 N15 O24 -","- C42 H24 F18 Mn7 N15 O24 -","- C672 H384 F288 Mn112 N240 O384 -","16","0.333333","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","1.54178","CuKα","","0.1273","0.0795","","","0.1877","0.2056","","","","","","1.081","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223869","20.2531","0.0007","19.4998","0.0004","29.3833","0.0008","90","","122.99","0.003","90","","9733.4","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Co4.5 N34 O12 W3 -","- C72 H54 Co4.5 N34 O12 W3 -","- C288 H216 Co18 N136 O48 W12 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71073","MoKα","","0.1443","0.0855","","","0.1817","0.2134","","","","","","1.06","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223870","19.0923","0.0003","20.3195","0.0004","31.5482","0.0006","72.427","0.001","77.063","0.001","68.621","0.001","10775.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164.5 H169.5 Co9 N72.5 O28.5 W6 -","- C164.5 H142.5 Co9 N72.5 O28.5 W6 -","- C329 H285 Co18 N145 O57 W12 -","2","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.0458","0.0371","","","0.0885","0.0979","","","","","","1.04","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223871","19.4379","0.0004","35.2593","0.0009","30.9195","0.0006","90","","91.67","0.006","90","","21182.2","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C165 H164.5 Co9 N69.5 O24 W6 -","- C165 H118.5 Co9 N69.5 O24 W6 -","- C660 H474 Co36 N278 O96 W24 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.1307","0.107","","","0.2028","0.2123","","","","","","1.187","","","","has coordinates,has disorder","177767","2020-10-21","18:00:00",""
"7223876","16.6133","0.001","6.9533","0.0004","19.4632","0.0011","90","","106.99","0.001","90","","2150.2","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aripiprazole; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril","7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","","0.71073","MoKα","","0.0462","0.0345","","0.0824","0.0767","0.0824","","","","","","0.9636","","","","has coordinates,has disorder","177759","2020-10-21","18:00:00",""
"7223877","7.7282","0.0006","10.7005","0.0008","15.4954","0.0012","83.863","0.001","78.191","0.001","73.576","0.001","1201.46","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","aripiprazole 1-propanol solvate; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril 1-propanol solvate","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydroquinolin-2(1H)-one 1-propanol solvate","","- C24.5 H30.5 Cl2 N3 O2.5 -","- C24.5 H30.5 Cl2 N3 O2.5 -","- C49 H61 Cl4 N6 O5 -","2","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0972","0.1099","","","","","","1.034","","","","has coordinates","177759","2020-10-21","18:00:00",""
"7223878","14.4563","0.0014","24.746","0.002","14.626","0.002","90","","112.294","0.006","90","","4841.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C30 H12 N6 O3 -","- C30 H12 N6 O3 -","- C240 H96 N48 O24 -","8","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.1219","0.0539","","","0.1045","0.1294","","","","","","1.039","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223879","8.0768","0.0005","8.5809","0.0005","13.4764","0.0008","74.672","0.003","88.214","0.003","77.262","0.003","878.24","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C44 H20 N8 O4 -","2","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0815","0.0843","","","","","","1.099","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223880","10.2611","0.001","13.4117","0.0012","18.9648","0.0017","90","","101.601","0.006","90","","2556.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phthalonitrile","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0909","0.0496","","","0.1109","0.1277","","","","","","1.08","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223881","20.9421","0.0011","5.0644","0.0003","32.897","0.0019","90","","90","","90","","3489","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C176 H80 N32 O16 -","8","2","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.079","0.045","","","0.0758","0.0869","","","","","","1.035","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223882","13.7511","0.0006","7.3953","0.0003","17.5013","0.0008","90","","91.983","0.002","90","","1778.7","0.13","148","2","148","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C88 H40 N16 O8 -","4","0.5","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0384","0.0341","","","0.0944","0.098","","","","","","1.109","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223893","9.8229","0.0002","11.4914","0.0002","16.3886","0.0003","94.801","0.005","103.133","0.004","97.661","0.005","1772.97","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 La N4 O13 -","- C36 H35 La N4 O13 -","- C72 H70 La2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71069","MoKα","","0.0622","0.0543","","","0.1546","0.1588","","","","","","0.963","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223894","9.8826","0.0002","11.5594","0.0003","16.3655","0.0004","94.257","0.001","103.951","0.001","97.86","0.002","1786.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Ce N4 O13 -","- C36 H35 Ce N4 O13 -","- C72 H70 Ce2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0561","0.0505","","","0.148","0.1516","","","","","","1.078","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223895","27.0059","0.0007","27.0059","0.0007","27.0059","0.0007","90","","90","","90","","19695.9","0.9","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C31 H43 La N6 O14 -","- C20 H14 La N2 O10 -","- C480 H336 La24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0844","0.0648","","","0.1907","0.223","","","","","","1.049","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223896","26.921","0.002","26.921","0.002","26.921","0.002","90","","90","","90","","19511","3","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C29 H36 Ce N5 O13 -","- C20 H14 Ce N2 O10 -","- C480 H336 Ce24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0588","0.0496","","","0.1343","0.1456","","","","","","1.073","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223897","26.681","0.003","26.681","0.003","26.681","0.003","90","","90","","90","","18994","4","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C23 H24 N5 O13 Sm -","- C20 H14 N2 O10 Sm -","- C480 H336 N48 O240 Sm24 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0741","0.0452","","","0.1152","0.1283","","","","","","1.025","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223898","25.917","0.003","25.917","0.003","30.915","0.004","90","","90","","120","","17983","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H43 N8 O13.17 Sm -","- C33 H43 N8 O13.1667 Sm -","- C594 H774 N144 O237 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.079","0.0496","","","0.1197","0.138","","","","","","1.049","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223899","25.758","0.004","25.758","0.004","30.055","0.004","90","","90","","120","","17269","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30.33 H36.53 N7 O12.5 Sm -","- C30.3333 H36.99 N7 O12.5 Sm -","- C546 H665.82 N126 O225 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.1306","0.0502","","","0.0925","0.1239","","","","","","1.003","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223912","24.5332","","5.2575","","22.0935","","90","","112.626","","90","","2630.37","","298.15","","298.15","","","","","","","","flavonoids","4","P 1 21/a 1","-P 2yab","14","QUER-NICO","Quercetin-NIcotinamide cocrystal","","- C21 H16 N2 O8 -","- C84 H64 N8 O32 -","- C336 H256 N32 O128 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","206173","2020-10-21","18:00:00",""
"7223913","12.6465","","7.9602","","5.3536","","58.9404","","92.1712","","99.689","","454.322","","498.15","","498.15","","","","","","","","Flavonoids, plants and fruits","4","P 1","P 1","1","QUER-PICO","Querecetin Picolinic acid cocrystal","","- C21 H15 N O9 -","- C21 H15 N O9 -","- C21 H15 N O9 -","1","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuKα","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7223914","14.7998","","11.2379","","10.3512","","90","","90","","90","","1721.6","","298.15","","298.15","","","","","","","","flavonoids, plants, fruits","3","P n 21 a","P -2ac -2n","33","Quercetin Dehydrate","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one","","- C15 H10 O7 -","- C60 H40 O28 -","- C240 H160 O112 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7223915","8.2134","0.0016","16.974","0.003","19.396","0.006","90","","101.13","0.03","90","","2653.2","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cu2 N20 O13 -","- C32 H42 Cu2 N20 O13 -","- C64 H84 Cu4 N40 O26 -","2","0.25","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.1526","0.0788","","","0.2186","0.2485","","","","","","0.986","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223916","4.8427","0.001","9.4938","0.0019","20.097","0.004","90","","92.37","0.03","90","","923.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N10 O4 -","- C16 H16 Co N10 O4 -","- C32 H32 Co2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0668","0.0563","","","0.1466","0.1544","","","","","","1.131","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223917","4.914","0.001","9.3923","0.0019","20.417","0.004","90","","92.66","0.03","90","","941.3","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N10 O4 -","- C16 H16 Mn N10 O4 -","- C32 H32 Mn2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0768","0.0577","","","0.1021","0.11","","","","","","1.127","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223918","4.9534","0.001","9.1796","0.0018","20.865","0.004","90","","93.9","0.03","90","","946.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cd N10 O4 -","- C16 H16 Cd N10 O4 -","- C32 H32 Cd2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0476","0.0365","","","0.066","0.0706","","","","","","1.135","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223919","10.487","0.002","23.35","0.005","8.3772","0.0017","90","","90","","90","","2051.3","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H16 N10 O4 Pb -","- C16 H16 N10 O4 Pb -","- C64 H64 N40 O16 Pb4 -","4","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0874","0.0508","","","0.0687","0.0794","","","","","","1.168","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223920","7.7702","0.0016","9.0412","0.0018","9.2461","0.0018","94.47","0.03","107.46","0.03","95.08","0.03","613.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0422","0.037","","","0.0791","0.082","","","","","","1.056","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223921","7.8231","0.0016","9.0961","0.0018","9.2962","0.0019","94.66","0.03","107.53","0.03","95.54","0.03","623.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0455","0.0396","","","0.0892","0.0927","","","","","","1.099","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223922","7.7318","0.0015","8.9961","0.0018","9.1815","0.0018","94.4","0.03","107.22","0.03","95.01","0.03","604.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0595","0.0486","","","0.1042","0.1105","","","","","","1.086","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223923","7.7881","0.0016","9.038","0.0018","9.1899","0.0018","94.47","0.03","107.49","0.03","95.27","0.03","610.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0484","0.041","","","0.0803","0.084","","","","","","1.064","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223924","30.8851","0.0018","17.4665","0.001","20.3272","0.0014","90","","127.705","0.006","90","","8675.7","1.2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 N14 O14 Zn2 -","- C62 H46 N14 O14 Zn2 -","- C248 H184 N56 O56 Zn8 -","4","0.5","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1326","0.1108","","","0.2973","0.3102","","","","","","1.105","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223925","10.882","0.003","11.386","0.003","20.627","0.005","100.75","0.02","103.307","0.016","103.024","0.018","2345.3","1.1","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N7 O6 Zn -","- C31 H21 N7 O6 Zn -","- C62 H42 N14 O12 Zn2 -","2","1","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1348","0.0806","","","0.2046","0.2256","","","","","","0.912","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223926","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Gawai, U. P.; Khawal, H. A.; Shripathi, T.; Dole, B. N.","A study on the synthesis, pair distribution function and diverse properties of cobalt doped ZnS nanowires","CrystEngComm","2016","18","8","1439","","10.1039/C5CE02253C","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","177758","2020-10-21","18:00:00",""
"7223939","5.779","0.002","6.031","0.002","12.318","0.004","90","","90","","90","","429.3","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.045","0.0421","","","0.0977","0.1012","","","","","","1.106","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223940","5.7772","0.0015","6.035","0.0017","12.316","0.003","90","","90","","90","","429.4","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.1246","0.0991","","","0.2703","0.3083","","","","","","1.06","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223958","11.9726","0.0005","9.2769","0.0004","11.5812","0.0005","90","","112.372","0.002","90","","1189.49","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","iodopentafluorobenzene and pyridine (1:1)","","- C11 H5 F5 I N -","- C11 H5 F5 I N -","- C44 H20 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0224","0.0204","","","0.0443","0.0457","","","","","","1.14","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223959","8.0031","0.0004","12.031","0.0006","13.4501","0.0006","90","","100.731","0.002","90","","1272.4","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene 3-methylpyridine","iodopentafluorobenzene and 3-methylpyridine (1:1)","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0174","0.0148","","","0.0353","0.0363","","","","","","1.022","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223960","8.8544","0.0004","9.3356","0.0004","14.0154","0.0006","90","","101.478","0.001","90","","1135.36","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromopentafluorobenzene pyridine","bromopentafluorobenzene and pyridine (1:1)","","- C11 H5 Br F5 N -","- C11 H5 Br F5 N -","- C44 H20 Br4 F20 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0199","0.0183","","","0.0481","0.0487","","","","","","1.07","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223961","11.7434","0.0007","5.8599","0.0003","16.7329","0.001","90","","99.173","0.002","90","","1136.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene tetramethylethylenediamine","iodopentafluorobenzene and TMEDA (1:1)","","- C9 H8 F5 I N -","- C9 H8 F5 I N -","- C36 H32 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0189","0.0178","","","0.0379","0.0384","","","","","","1.175","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223962","6.5585","0.0012","7.047","0.0013","38.869","0.007","90","","90","","90","","1796.4","0.6","296","2","296","2","","","","","","","Biotogether","6","P 21 21 21","P 2ac 2ab","19","cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C10 H21 N5 Na O11 P -","- C10 H21 N5 Na O11 P -","- C40 H84 N20 Na4 O44 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0516","0.0499","","","0.1381","0.1397","","","","","","1.098","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223963","6.5021","0.001","7.0943","0.0011","39.198","0.006","90","","90","","90","","1808.1","0.5","296","2","296","2","","","","","","","nucleic acid degradation product","6","P 21 21 21","P 2ac 2ab","19","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C11 H21 N5 Na O10 P -","- C11 H21 N5 Na O10 P -","- C44 H84 N20 Na4 O40 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0505","0.048","","","0.1266","0.1279","","","","","","1.16","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223964","13.314","0.0011","9.7055","0.0008","7.0691","0.0009","90","","90","","90","","913.46","0.16","300","2","300","2","","","","","","","","4","P n n m","-P 2 2n","58","uranyl acrylate","","","- C6 H6 O6 U -","- C6 H6 O6 U -","- C24 H24 O24 U4 -","4","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.049","0.032","","","0.0686","0.0788","","","","","","1.047","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223965","19.5621","0.0008","19.5621","0.0008","8.7321","0.0009","90","","90","","120","","2893.9","0.3","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10.44 O8.22 U -","- C6 H10 O8.22333 U -","- C54 H90 O74.01 U9 -","9","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0467","0.0418","","","0.0951","0.1002","","","","","","1.065","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223966","11.6745","0.0018","12.4709","0.0004","16.003","0.002","90","","148.27","0.04","90","","1225.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O9 U -","- C6 H12 O9 U -","- C24 H48 O36 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.051","0.0353","","","0.0686","0.0773","","","","","","1.055","","","","has coordinates,has disorder","177744","2020-10-21","18:00:00",""
"7223967","10.7059","0.001","7.7322","0.0007","13.5945","0.0012","90","","107.093","0.002","90","","1075.65","0.17","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi)","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C24 H40 O32 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0763","0.0226","","","0.0548","0.0855","","","","","","0.997","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223968","10.724","0.006","7.721","0.004","6.897","0.004","90","","107.246","0.009","90","","545.4","0.5","250","","250","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C12 H20 O16 U2 -","2","0.25","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0223","0.0223","","","0.0504","0.0504","","","","","","1.072","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223969","10.097","0.0009","12.8101","0.0011","10.9229","0.0011","90","","102.581","0.002","90","","1378.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O5 Zn -","- C11 H3 N5 O5 Zn -","- C44 H12 N20 O20 Zn4 -","4","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1359","0.0793","","","0.1628","0.2196","","","","","","1.044","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223970","10.4622","0.0009","7.187","0.0006","13.4544","0.0012","90","","112.694","0.002","90","","933.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 Cd2 N5 O8.5 -","- C9 H3 Cd2 N4 O7.5 -","- C18 H6 Cd4 N8 O15 -","2","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.0882","0.0642","","","0.1667","0.1811","","","","","","1.056","","","","has coordinates,has disorder","177764","2020-10-21","18:00:00",""
"7223971","19.571","0.002","11.0278","0.0009","13.2983","0.0012","90","","124.084","0.001","90","","2377.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Mn N4 Na O6 -","- C9 H7 Mn N4 Na O6 -","- C72 H56 Mn8 N32 Na8 O48 -","8","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1245","0.0657","","","0.1264","0.155","","","","","","1.065","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223972","7.3088","0.0008","10.1375","0.001","12.0815","0.0014","78.884","0.004","77.512","0.003","78.615","0.004","846.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","1","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","0.71073","MoKα","","0.0753","0.0705","","","0.1956","0.1982","","","","","","1.072","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223973","24.029","0.001","10.9805","0.0005","24.3497","0.001","90","","90","","90","","6424.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil Citrate (Viagra)","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate","","- C28 H39 N6 O11.5 S -","- C28 H39 N6 O11.5 S -","- C224 H312 N48 O92 S8 -","8","1","","Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul","Characterising the role of water in sildenafil citrate by NMR crystallography","CrystEngComm","2016","18","6","1054","","10.1039/C5CE02234G","","","0.71073","Mo-Kα","","0.1071","0.0524","","","0.1263","0.1632","","","","","","0.991","","","","has coordinates","175962","2020-10-21","18:00:00",""
"7223974","9.3387","0.0002","13.9027","0.0004","16.555","0.0005","90","","90","","90","","2149.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1146","0.0638","","","0.0981","0.113","","","","","","1.014","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223975","9.9411","0.0004","10.7606","0.0003","28.5926","0.0011","90","","90","","90","","3058.61","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilteazem acetylsalicylate hydrate","","","- C31 H36 N2 O9 S -","- C31 H36 N2 O9 S -","- C124 H144 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.2268","0.0984","","","0.1185","0.1501","","","","","","1.077","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223976","8.7897","0.0002","6.1726","0.0001","25.1531","0.0007","90","","91.5255","0.0011","90","","1364.21","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Diltiazem nicotinate","","","- C28 H31 N3 O6 S -","- C28 H31 N3 O6 S -","- C56 H62 N6 O12 S2 -","2","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.115","0.0642","","","0.1017","0.1187","","","","","","1.045","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223977","5.8962","0.0001","9.032","0.0002","50.5074","0.001","90","","90","","90","","2689.75","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem L-Malate","","","- C26 H32 N2 O9 S -","- C26 H32 N2 O9 S -","- C104 H128 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1467","0.0637","","","0.1021","0.1238","","","","","","0.999","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223978","36.4984","0.0017","36.4984","0.0017","10.5148","0.0004","90","","90","","120","","12130.5","0.9","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C63.4 H52.8 N4 O2 Sn -","- C63.4 H52.8 N4 O2 Sn -","- C570.6 H475.2 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0539","0.0387","","","0.1236","0.1456","","","","","","1.09","","","","has coordinates","201369","2020-10-21","18:00:00",""
"7223979","36.626","0.002","36.626","0.002","10.4295","0.0008","90","","90","","120","","12116.4","1.3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H44 Br2 N4 O2 Sn -","- C60 H44 Br2 N4 O2 Sn -","- C540 H396 Br18 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0753","0.0463","","","0.1348","0.1663","","","","","","1.126","","","","has coordinates","177766","2020-10-21","18:00:00",""
"7223980","37.09","0.002","37.09","0.002","10.1013","0.0006","90","","90","","120","","12034.3","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H44 N6 O6 Sn -","- C60 H44 N6 O6 Sn -","- C540 H396 N54 O54 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.1133","0.0711","","","0.2089","0.2417","","","","","","1.458","","","","has coordinates,has disorder","177766","2020-10-21","18:00:00",""
"7223981","24.811","0.001","24.811","0.001","21.455","0.002","90","","90","","120","","11437.9","1.2","150","2","150.15","","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C432 H258 Co18 N36 O78 -","6","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0571","0.038","","","0.0826","0.0914","","","","","","1.052","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223982","20.186","0.001","20.186","0.001","20.2891","0.0008","90","","90","","120","","7159.7","0.6","150","2","150.15","","","","","","","","","5","R 3","R 3","146","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C216 H129 Co9 N18 O39 -","3","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0535","0.0502","","","0.1258","0.1282","","","","","","1.059","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223983","27.3444","0.0008","27.3444","0.0008","71.115","0.002","90","","90","","120","","46050","2","150","2","150.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C72 H43 Co3 N30 O -","- C72 H43 Co3 N30 O -","- C864 H516 Co36 N360 O12 -","12","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.1062","0.0727","","","0.2478","0.2902","","","","","","1.031","","","","has coordinates,has disorder","185174","2020-10-21","18:00:00",""
"7224001","14.0134","0.0007","14.8016","0.0007","15.2457","0.0006","105.689","0.005","113.922","0.004","103.178","0.005","2570","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","1","0.5","","Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di","Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology","CrystEngComm","2016","18","8","1329","","10.1039/C5CE02215K","","","1.54178","CuKα","","0.0935","0.0534","","","0.1121","0.1249","","","","","","0.888","","","","has coordinates","177753","2020-10-21","18:00:00",""
"7224002","8.127","0.003","15.764","0.011","8.041","0.003","90","","111.816","0.009","90","","956.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuClTAA3BP","","","- C7 H9 Cl Cu N2 S -","- C7 H9 Cl Cu N2 S -","- C28 H36 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0362","0.0264","","","0.0627","0.0674","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224003","8.8605","0.0002","9.6615","0.0002","11.7506","0.0002","66.423","0.001","82.85","0.001","78.316","0.001","901.79","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","CuClTAA/44bp","","","- C14 H18 Cl Cu N4 S2 -","- C14 H18 Cl Cu N4 S2 -","- C28 H36 Cl2 Cu2 N8 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0351","0.0272","","","0.0886","0.1089","","","","","","1.006","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224004","21.7441","0.0008","9.8378","0.0005","16.9298","0.0008","90","","90.766","0.002","90","","3621.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuBrbp","","","- C14 H18 Br Cu N4 S2 -","- C14 H18 Br Cu N4 S2 -","- C112 H144 Br8 Cu8 N32 S16 -","8","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0415","0.0251","","","0.0691","0.0886","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224005","21.91","0.003","9.9443","0.0015","16.891","0.003","90","","90.414","0.007","90","","3680.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuITAbp","","","- C28 H36 Cu2 I2 N8 S4 -","- C28 H36 Cu2 I2 N8 S4 -","- C112 H144 Cu8 I8 N32 S16 -","4","0.5","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0224","0.0184","","","0.0582","0.0703","","","","","","1.001","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224006","7.9771","0.0001","10.673","0.0001","8.921","0.0001","90","","97.182","0.001","90","","753.571","0.015","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuClpyz","","","- C4 H7 Cl Cu N2 S -","- C4 H7 Cl Cu N2 S -","- C16 H28 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0197","0.0187","","","0.052","0.0527","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224007","7.4292","0.0002","8.0762","0.0002","9.614","0.0002","107.059","0.001","90.971","0.001","110.972","0.001","510.1","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","JA315b","","","- C4 H10 Cu I N2 S2 -","- C4 H10 Cu I N2 S2 -","- C8 H20 Cu2 I2 N4 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0221","0.0199","","","0.0503","0.0516","","","","","","1.004","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224008","13.8935","0.0005","14.0662","0.0008","18.2195","0.0011","108.577","0.002","110.263","0.003","97.592","0.003","3046.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 N8 Ni O21 S3 U2 -","- C53 H40 N8 Ni O20.9999 S3 U2 -","- C106 H80 N16 Ni2 O41.9998 S6 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0511","0.0333","","","0.0881","0.0934","","","","","","1.056","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224009","10.8016","0.0004","20.409","0.0008","12.8547","0.0005","90","","105.973","0.002","90","","2724.41","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H56 Cl Co N8 O26 S4 U2 -","- C38 H50 Cl Co N8 O26 S4 U2 -","- C76 H100 Cl2 Co2 N16 O52 S8 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0386","0.0338","","","0.1163","0.1194","","","","","","1.071","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224010","13.7311","0.0008","15.5105","0.0009","17.8862","0.0009","68.574","0.003","70.094","0.003","76.948","0.003","3311.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0648","0.0519","","","0.1371","0.1436","","","","","","1.027","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224011","13.7804","0.0003","15.5944","0.0003","18.0932","0.0004","67.6388","0.0009","69.388","0.0009","76.7394","0.0011","3345.09","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0746","0.0685","","","0.1862","0.1898","","","","","","1.096","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224012","26.1007","0.0003","26.1007","0.0003","6.695","0.0002","90","","90","","90","","4560.95","0.16","150","2","150","2","","","","","","","","7","P 42/n m c","-P 4ac 2a","137","","","","- C30 H26 Ag2 N6 O17 S3 U2 -","- C30 H24 Ag2 N6 O17 S3 U2 -","- C120 H96 Ag8 N24 O68 S12 U8 -","4","","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1023","","","","","","1.073","","","","has coordinates,has disorder","177763","2020-10-21","18:00:00",""
"7224013","18.4849","0.0002","26.8834","0.0006","31.5917","0.0008","90","","90","","90","","15699.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H104 Ag5 N21 O41 S6 U4 -","- C136 H96 Ag5 N21 O41 S6 U4 -","- C544 H384 Ag20 N84 O164 S24 U16 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0592","0.0446","","","0.1066","0.1107","","","","","","1.025","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224021","15.513","0.002","15.513","0.002","26.445","0.004","90","","90","","90","","6364.1","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 K O15 Tb -","- C28 H18 K O14 Tb -","- C224 H144 K8 O112 Tb8 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1178","0.0719","","","0.205","0.2427","","","","","","0.953","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224022","15.322","0.002","15.322","0.002","26.327","0.004","90","","90","","90","","6180.6","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 Dy K O15 -","- C28 H20 Dy K0.805 O14 -","- C224 H160 Dy8 K6.44 O112 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1078","0.0822","","","0.2537","0.3021","","","","","","1.059","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224023","20.15","0.05","30.14","0.07","11.69","0.03","90","","90","","90","","7100","3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 K O28 Tb3 -","- C59 H38 K O28 Tb3 -","- C236 H152 K4 O112 Tb12 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1133","0.0609","","","0.1437","0.169","","","","","","1.001","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224024","19.1","0.003","28.26","0.004","11.1446","0.0019","90","","90","","90","","6015.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 Dy3 K O28 -","- C59 H38 Dy3 K O28 -","- C236 H152 Dy12 K4 O112 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1007","0.0587","","","0.1349","0.1544","","","","","","1.048","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224025","8.2616","0.0005","11.0442","0.0007","11.8712","0.0007","69.313","0.004","76.743","0.004","71.691","0.004","953.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","E,E-N3,N3'-Bis(2-hydroxybenzylidene)-(2,2'-bipyridine)-3,3'-diamine","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0836","0.0518","","","0.1435","0.1585","","","","","","1.376","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224026","8.3486","0.0014","27.473","0.005","11.3936","0.0017","90","","93.665","0.004","90","","2607.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]tin(iV) tetrachloride.2C2H5OH","","- C21 H26 Cl4 N4 O3 Sn -","- C21 H26 Cl4 N4 O3 Sn -","- C84 H104 Cl16 N16 O12 Sn4 -","4","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0731","0.0533","","","0.1327","0.1478","","","","","","1.156","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224027","15.2508","0.001","23.2887","0.0016","12.9853","0.0008","90","","90","","90","","4612","0.5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate","","- C49 H42 Cl2 Cu2 N8 O15 -","- C49 H42 Cl2 Cu2 N8 O15 -","- C196 H168 Cl8 Cu8 N32 O60 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0619","0.0399","","","0.0959","0.1077","","","","","","1.033","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224028","9.441","0.0005","10.9557","0.0006","10.9598","0.0006","64.848","0.003","88.44","0.004","72.81","0.003","973.92","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]manganese(II)dichloride dimer","","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","1","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0448","0.0334","","","0.0784","0.0846","","","","","","1.026","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224029","13.163","0.003","19.772","0.005","13.268","0.002","90","","92.198","0.007","90","","3450.6","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(2-(3!-amino-2,2-bipyridin-3-imino)phenoxide)iron(III)] chlorideacetonitrile solvate","","- C38 H32 Cl Fe N10 O2 -","- C38 H32 Cl Fe N10 O2 -","- C152 H128 Cl4 Fe4 N40 O8 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0745","0.042","","","0.0898","0.1016","","","","","","0.997","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224030","13.0767","0.0008","13.4441","0.0008","14.3843","0.0008","100.563","0.002","107.325","0.002","98.963","0.003","2312.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Fe2 N10 O5 -","- C52 H38 Fe2 N10 O5 -","- C104 H76 Fe4 N20 O10 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0852","0.0719","","","0.1842","0.199","","","","","","1.266","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7224040","13.0629","0.0004","7.837","0.0002","11.6838","0.0003","90","","90","","90","","1196.12","0.06","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0884","0.0873","","","0.2236","0.2244","","","","","","1.052","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224041","13.231","0.01","7.883","0.007","11.786","0.01","90","","90","","90","","1229.3","1.8","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0424","0.0415","","","0.1182","0.1192","","","","","","1.02","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224042","13.357","0.01","8.073","0.007","11.836","0.01","90","","90","","90","","1276.3","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0375","0.0337","","","0.0818","0.0841","","","","","","1.026","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224043","13.296","0.01","8.069","0.006","11.772","0.009","90","","90","","90","","1263","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0565","0.0553","","","0.1263","0.127","","","","","","1.173","","","","has coordinates","177760","2020-10-21","18:00:00",""
"7224044","20.7414","0.0014","32.981","0.002","9.7539","0.0007","90","","90","","90","","6672.4","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C72 H60 Cl4 Mn O4 P4 Zn -","- C72 H60 Cl4 Mn O4 P4 Zn -","- C288 H240 Cl16 Mn4 O16 P16 Zn4 -","4","0.25","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0253","0.0243","","","0.0665","0.0671","","","","","","1.074","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224045","20.718","0.005","33.018","0.005","9.751","0.005","90","0.005","90","0.005","90","0.005","6670","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 O2 P2 Zn -","- C36 H30 Cl2 O2 P2 Zn -","- C288 H240 Cl16 O16 P16 Zn8 -","8","0.5","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0214","0.0203","","","0.0555","0.0559","","","","","","1.052","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224048","13.876","0.002","12.212","0.002","7.7376","0.0015","90","","104.205","0.018","90","","1271.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C52 H28 Co4 N4 O24 -","4","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.1275","0.0896","","","0.2021","0.2257","","","","","","1.102","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224049","6.4032","0.0003","7.7936","0.0003","12.7782","0.0006","74.095","0.004","83.775","0.004","84.04","0.004","607.82","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0402","0.0332","","","0.0766","0.0804","","","","","","1.066","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224050","6.4023","0.0003","16.0344","0.0006","25.698","0.001","106.588","0.001","96.084","0.001","92.993","0.001","2504.62","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C104 H56 Co8 N8 O48 -","8","4","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0636","0.0483","","","0.1313","0.1419","","","","","","1.063","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224059","28.77","0.03","8.771","0.008","10.211","0.001","90","","108.17","0.03","90","","2448","3","100","2","100","2","","","","","","","Aspergillus niger","4","C 1 2/c 1","-C 2yc","15","Nigerloxin dioxane water solvate","Nigerloxin dioxane water solvate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C96 H104 N8 O56 -","8","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.087","0.0636","","","0.1703","0.205","","","","","","1.105","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224060","11.277","0.004","8.788","0.003","9.851","0.004","90","","96.003","0.007","90","","970.9","0.6","100","2","100","2","","","","","","","Aspergillus niger","4","P 1 21/c 1","-P 2ybc","14","Nigerloxin monohydrate","Nigerloxin monohydrate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.0567","0.037","","","0.0867","0.0926","","","","","","1.042","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224069","42.6717","0.0011","26.3547","0.0007","33.6116","0.0009","90","","113.576","0.001","90","","34644.5","1.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}","","","- C216 H212 Cl4 Co16 F4 N4 O44 S16 -","- C216 H194 Cl4 Co16 F4 N4 O44 S16 -","- C864 H776 Cl16 Co64 F16 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0744","0.0638","","","0.1492","0.1543","","","","","","1.099","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224070","30.146","0.0005","30.146","0.0005","21.5634","0.0005","90","","90","","90","","19596.4","0.6","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13FH6NO4]8}","","","- C264 H224 Cl4 Co16 F8 N8 O48 S16 -","- C264 H56 Cl4 Co16 F8 N8 O48 S16 -","- C528 H112 Cl8 Co32 F16 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0908","0.0857","","","0.2686","0.278","","","","","","1.133","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224071","42.516","0.002","28.4143","0.0014","33.6347","0.0017","90","","111.972","0.002","90","","37682","3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13H7NO4]4}","","","- C216 H216 Cl4 Co16 N4 O44 S16 -","- C216 H204 Cl4 Co16 N4 O44 S16 -","- C864 H816 Cl16 Co64 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0864","0.0675","","","0.1865","0.1967","","","","","","1.051","","","","has coordinates","185188","2020-10-21","18:00:00",""
"7224072","30.163","0.0003","30.163","0.0003","21.6122","0.0004","90","","90","","90","","19662.9","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13H7NO4]8}","","","- C264 H232 Cl4 Co16 N8 O48 S16 -","- C264 H56 Cl4 Co16 N8 O48 S16 -","- C528 H112 Cl8 Co32 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.1157","0.1102","","","0.3034","0.311","","","","","","1.111","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224073","21.0408","0.0013","21.0408","0.0013","21.0408","0.0013","90","","90","","90","","9315.1","1","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H432 Cl18 La12 N24 Ni15 O276 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0644","0.0637","","","0.1716","0.1724","","","","","","1.036","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224074","20.9271","0.0003","20.9271","0.0003","20.9271","0.0003","90","","90","","90","","9164.9","0.2","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H460 Cl18 Gd12 N24 Ni15 O290 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.2181","0.1069","","","0.2436","0.2964","","","","","","1.042","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224075","18.7646","0.0007","9.0729","0.0002","18.6765","0.0007","90","","116.804","0.004","90","","2838.02","0.19","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl La N2 Ni O21 -","- C14 H28 Cl La N2 Ni O21 -","- C56 H112 Cl4 La4 N8 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0387","0.0319","","","0.0873","0.0894","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224076","18.633","0.0009","8.9756","0.0004","18.637","0.0009","90","","116.699","0.003","90","","2784.6","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl N2 Nd Ni O21 -","- C14 H18 Cl N2 Nd Ni O21 -","- C56 H72 Cl4 N8 Nd4 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0358","0.0314","","","0.077","0.0786","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224077","9.2011","0.0018","12.234","0.002","12.51","0.003","85.62","0.03","80.05","0.03","68.91","0.03","1294","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0259","0.0236","","","0.0563","0.0572","","","","","","1.046","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224078","9.1672","0.0018","12.17","0.002","12.442","0.003","85.92","0.03","79.65","0.03","68.68","0.03","1272","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0355","0.0316","","","0.0824","0.0985","","","","","","1.156","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224079","7.558","0.002","11.269","0.003","15.561","0.004","100.694","0.005","103.838","0.004","105.732","0.005","1193.4","0.5","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H34 Cl Dy N2 Ni O16 -","- C14 H34 Cl Dy N2 Ni O16 -","- C28 H68 Cl2 Dy2 N4 Ni2 O32 -","2","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0288","0.0277","","","0.0695","0.0702","","","","","","1.093","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224080","28.11","0.004","13.7799","0.0016","14.3362","0.0017","90","","100.267","0.003","90","","5464.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Eu N7 O9 -","- C21 H19 Eu N7 O9 -","- C168 H152 Eu8 N56 O72 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0871","0.0602","","","0.1595","0.1744","","","","","","1.08","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224081","28.282","0.004","13.564","0.0018","14.509","0.002","90","","100.155","0.003","90","","5478.7","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N7 O9 Tb -","- C21 H19 N7 O9 Tb -","- C168 H152 N56 O72 Tb8 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0736","0.051","","","0.139","0.1527","","","","","","1.056","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224082","5.8278","0.0004","10.3521","0.0006","10.4775","0.0006","90","","102.948","0.007","90","","616.04","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Na2 O8 Sb -","- B3 Na2 O8 Sb -","- B12 Na8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0404","0.0336","","","0.0724","0.0762","","","","","","1.004","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224083","5.9013","0.0007","11.0876","0.001","10.9497","0.0012","90","","103.218","0.007","90","","697.47","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 K2 O8 Sb -","- B3 K2 O8 Sb -","- B12 K8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0282","0.0251","","","0.0691","0.0723","","","","","","0.944","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224084","5.9381","0.0006","11.2928","0.0005","11.3181","0.0015","90","","103.754","0.015","90","","737.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 O8 Rb2 Sb -","- B3 O8 Rb2 Sb -","- B12 O32 Rb8 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0294","0.0267","","","0.0649","0.066","","","","","","1.115","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224085","11.7148","0.0014","7.1633","0.0006","7.4109","0.0008","90","","125.435","0.01","90","","506.71","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 O6 Rb Sb -","- B2 O6 Rb Sb -","- B8 O24 Rb4 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0403","0.035","","","0.0812","0.0851","","","","","","1.041","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224086","24.6165","0.0009","35.8569","0.0015","30.2783","0.0012","90","","90","","90","","26725.8","1.8","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H42 Co7 N6 O35 -","- C54 H42 Co7 N6 O35 -","- C432 H336 Co56 N48 O280 -","8","0.5","","Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li","A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake","CrystEngComm","2016","18","10","1768","","10.1039/C5CE02270C","","","0.71073","MoKα","","0.1094","0.0816","","","0.23","0.2494","","","","","","0.998","","","","has coordinates","177748","2020-10-21","18:00:00",""
"7224101","13.6094","0.0004","20.4337","0.0005","17.9312","0.0006","90","","108.986","0.004","90","","4715.2","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(2,2'-bipyridine-N,N')-Dysprosium(III)","","- C40 H38 Dy F21 N2 O6 -","- C40 H38 Dy F21 N2 O6 -","- C160 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0581","0.0443","","","0.1105","0.122","","","","","","1.059","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224102","14.0899","0.0003","19.8329","0.0003","17.4263","0.0003","90","","102.091","0.002","90","","4761.64","0.15","119.96","0.11","119.96","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)","","- C42 H38 Dy F21 N2 O6 -","- C42 H38 Dy F21 N2 O6 -","- C168 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0945","0.0678","","","0.1776","0.2076","","","","","","1.053","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224103","20.892","0.01","24.47","0.011","25.238","0.011","90","","90","","90","","12902","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H12 Br4 O16 Zn3 -","- C32 H12 Br4 O16 Zn3 -","- C256 H96 Br32 O128 Zn24 -","8","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.126","0.0803","","","0.2071","0.2324","","","","","","0.958","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224104","14.0217","0.0002","31.3444","0.0005","27.9952","0.0004","90","","90","","90","","12303.9","0.3","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H18 Br2 N2 O8 Zn2 -","- C28 H18 Br2 N2 O8 Zn2 -","- C448 H288 Br32 N32 O128 Zn32 -","16","2","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","1.54184","CuKα","","0.1382","0.1373","","","0.3158","0.3162","","","","","","1.137","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224105","12.882","0.005","14.292","0.006","16.936","0.008","110.255","0.009","99.167","0.011","106.39","0.009","2690","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","1","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.2034","0.1636","","","0.4142","0.4428","","","","","","1.47","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224106","12.5013","0.0005","14.5412","0.0005","8.2241","0.0003","90","","104.849","0.0009","90","","1445.08","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O14 Zn2 -","- C28 H22 N4 O14 Zn2 -","- C56 H44 N8 O28 Zn4 -","2","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0242","0.022","","","0.0629","0.0641","","","","","","1.017","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224107","8.5151","0.0006","10.0658","0.0007","11.9929","0.0008","67.113","0.002","88.027","0.002","76.771","0.002","920.16","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N3 O8 -","- C16 H16 Cd N3 O8 -","- C32 H32 Cd2 N6 O16 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0638","0.0651","","","","","","1.06","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224108","9.946","0.004","9.946","0.004","31.544","0.013","90","","90","","90","","3120","2","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C15 H11 N O4 Zn -","- C15 H11 N O4 Zn -","- C120 H88 N8 O32 Zn8 -","8","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0359","0.0282","","","0.0631","0.0678","","","","","","1.07","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224109","9.919","0.006","16.851","0.01","10.145","0.006","90","","93.18","0.011","90","","1693.1","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O12 Zn2 -","- C28 H36 N4 O12 Zn2 -","- C56 H72 N8 O24 Zn4 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.1087","0.0651","","","0.1509","0.1771","","","","","","0.977","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224110","20.941","0.004","8.9021","0.0018","15.065","0.003","90","","117.91","0.03","90","","2481.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C112 H88 N8 O32 Zn4 -","4","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0447","0.0402","","","0.1043","0.1081","","","","","","1.063","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224111","8.2249","0.0016","9.8672","0.0019","11.221","0.002","68.441","0.003","68.947","0.004","66.741","0.003","753.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N O5 Zn -","- C15 H14 N O5 Zn -","- C30 H28 N2 O10 Zn2 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0616","0.0536","","","0.1546","0.1654","","","","","","1.09","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224112","11.2042","0.0013","14.7102","0.0017","9.5638","0.0011","90","","90","","90","","1576.3","0.3","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C8 H37 Cu4 N8 Na0 Nb3 O22 W3 -","- C8 H32 Cu4 N8 Nb3 O21 W3 -","- C16 H64 Cu8 N16 Nb6 O42 W6 -","2","0.25","","Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian","A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions","CrystEngComm","2016","18","10","1705","","10.1039/C5CE02443A","","","0.71073","MoKα","","0.0537","0.0506","","","0.1317","0.1525","","","","","","1.357","","","","has coordinates","177750","2020-10-21","18:00:00",""
"7224120","24.5154","0.0014","24.5154","0.0014","76.118","0.004","90","","90","","90","","45747","4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C108 H150 Ag6 N30 O21 -","- C108 H144 Ag6 N30 O21 -","- C1728 H2304 Ag96 N480 O336 -","16","2","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0487","0.0357","","","0.0693","0.0739","","","","","","1.019","","","","has coordinates,has disorder","181605","2020-10-21","18:00:00",""
"7224121","10.4951","0.0007","8.104","0.0005","18.3689","0.0011","90","","90","","90","","1562.32","0.17","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-Pyrrolidine-1-yl-pyridine","","","- C9 H12 N2 -","- C9 H12 N2 -","- C72 H96 N16 -","8","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0439","0.0369","","","0.093","0.1006","","","","","","1.07","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224122","11.3787","0.001","8.1171","0.0007","21.41","0.002","90","","95.969","0.006","90","","1966.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag Cl N4 O4 -","- C18 H24 Ag Cl N4 O4 -","- C72 H96 Ag4 Cl4 N16 O16 -","4","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.092","0.0488","","","0.1061","0.1252","","","","","","1.017","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224123","14.582","0.002","22.199","0.003","11.3662","0.0016","90","","90","","90","","3679.3","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C32H33B2CoF8N11","","","- C32 H33 B2 Co F8 N11 -","- C32 H33 B2 Co F8 N11 -","- C128 H132 B8 Co4 F32 N44 -","4","0.5","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0668","0.0579","","","0.1688","0.1779","","","","","","1.058","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224124","13.8571","0.0007","16.6586","0.0008","19.6933","0.0009","68.138","0.001","88.062","0.002","88.016","0.002","4215.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","C41H41.99B2CoF8N12","","","- C41 H41.99 B2 Co F8 N12 -","- C40.9975 H41.995 B2 Co F8 N12 -","- C163.99 H167.98 B8 Co4 F32 N48 -","4","2","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.1144","0.0757","","","0.1654","0.1812","","","","","","1.08","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224125","9.7431","0.0011","12.2307","0.0014","14.5005","0.0017","95.953","0.002","107.564","0.002","99.913","0.002","1600.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","C29H30B2CoF8N10O","","","- C29 H30 B2 Co F8 N10 O -","- C29 H30 B2 Co F8 N10 O -","- C58 H60 B4 Co2 F16 N20 O2 -","2","1","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0763","0.0502","","","0.1281","0.149","","","","","","1.025","","","","has coordinates,has disorder","185166","2020-10-21","18:00:00",""
"7224126","9.415","0.005","10.117","0.005","14.657","0.005","85.815","0.005","74.704","0.005","70.067","0.005","1265.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C54 H40 N4 O12 Zn2 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0629","0.0505","","","0.1169","0.1315","","","","","","1.073","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224127","11.106","0.005","15.856","0.005","17.853","0.005","82.222","0.005","88.158","0.005","88.201","0.005","3112.2","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C108 H80 N8 O24 Zn4 -","4","2","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0743","0.0601","","","0.1561","0.1613","","","","","","1.048","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224128","10.972","0.005","16.101","0.005","37.978","0.005","90","","90","","90","","6709","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H33 N5 O7 Zn -","- C35 H33 N5 O7 Zn -","- C280 H264 N40 O56 Zn8 -","8","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.121","0.0729","","","0.1775","0.216","","","","","","1.014","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224129","9.502","0.005","11.646","0.005","13.277","0.005","84.836","0.005","73.449","0.005","84.18","0.005","1398.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cd N3 O8 -","- C30 H29 Cd N3 O8 -","- C60 H58 Cd2 N6 O16 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0434","0.0385","","","0.0948","0.1016","","","","","","1.078","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224130","9.5536","0.0011","28.335","0.004","10.1074","0.0012","90","","107.415","0.003","90","","2610.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H20 Co N2 O6 -","- C27 H20 Co N2 O6 -","- C108 H80 Co4 N8 O24 -","4","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0539","0.05","","","0.1346","0.1377","","","","","","1.051","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224131","13.1143","0.0006","18.2637","0.0008","18.1148","0.0009","90","","91.971","0.001","90","","4336.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Co3 N8 O18 -","- C66 H54 Co3 N8 O18 -","- C132 H108 Co6 N16 O36 -","2","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0908","0.0579","","","0.1423","0.1528","","","","","","1.005","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224152","14.75","0.01","9.887","0.01","8.419","0.007","90","","90","","90","","1227.8","1.8","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.25","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0585","0.0556","","","0.1348","0.1372","","","","","","1.077","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224153","14.674","0.009","9.779","0.006","8.412","0.005","90","","90","","90","","1207.1","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","1","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0393","0.0366","","","0.0806","0.0822","","","","","","1.021","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224154","14.7","0.013","9.771","0.008","8.414","0.007","90","","90","","90","","1208.5","1.8","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.5","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0386","0.0374","","","0.0885","0.0893","","","","","","1.086","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224155","7.48","0.0015","23.63","0.005","12.47","0.003","90","","98.05","0.03","90","","2182.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cu4 N4 O15 -","- C50 H34 Cu4 N4 O15 -","- C100 H68 Cu8 N8 O30 -","2","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0988","0.0839","","","0.2165","0.2322","","","","","","1.076","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224156","7.8383","0.0006","9.4782","0.0006","14.9216","0.0013","91.826","0.006","95.897","0.006","103.056","0.006","1072.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","1","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0803","0.0504","","","0.1071","0.1221","","","","","","1.007","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224157","11.598","0.002","19.518","0.004","15.301","0.003","90","","91.47","0.03","90","","3462.5","1.2","153.15","","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 N4 O21 V6 -","- C56 H100 N4 O21 V6 -","- C112 H200 N8 O42 V12 -","2","0.5","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0475","0.0431","","","0.101","0.104","","","","","","1.11","","","","has coordinates,has disorder","185175","2020-10-21","18:00:00",""
"7224158","10.381","0.002","12.311","0.003","9.6175","0.0019","90","","104.2","0.03","90","","1191.6","0.5","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N2 O23 V6 -","- C8 H26 N2 O23 V6 -","- C16 H52 N4 O46 V12 -","2","0.25","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0297","0.0281","","","0.0767","0.0776","","","","","","1.128","","","","has coordinates","185175","2020-10-21","18:00:00",""
"7224168","25.151","0.003","10.4057","0.0013","30.589","0.005","90","","113.035","0.002","90","","7367.2","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H56 N11 O35 Zn4 -","- C67 H38 N11 O26 Zn4 -","- C268 H152 N44 O104 Zn16 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.1346","0.0849","","","0.23","0.256","","","","","","1.035","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224169","21.687","0.003","18.249","0.002","22.474","0.004","90","","118.15","0.002","90","","7842","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 N12 Ni3 O28 -","- C72 H46 N12 Ni3 O26 -","- C288 H184 N48 Ni12 O104 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0912","0.0806","","","0.2122","0.2215","","","","","","1.03","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224170","13.5739","0.0015","19.361","0.002","8.7636","0.0009","90","","96.151","0.001","90","","2289.9","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 Ni O8.02 -","- C24 H14 N4 Ni O8 -","- C96 H56 N16 Ni4 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0824","0.0692","","","0.191","0.2003","","","","","","1.085","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224171","13.827","0.003","19.685","0.004","8.9064","0.0017","90","","97.32","0.003","90","","2404.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Mn N4 O8 -","- C24 H14 Mn N4 O8 -","- C96 H56 Mn4 N16 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0777","0.0466","","","0.1042","0.1149","","","","","","1.109","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224172","13.641","0.004","19.536","0.005","8.806","0.002","90","","96.639","0.003","90","","2331","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Co0.5 N2 O4.18 -","- C12 H7 Co0.5 N2 O4.18 -","- C96 H56 Co4 N16 O33.44 -","8","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0564","0.0486","","","0.1288","0.1344","","","","","","1.086","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224173","7.361","0.002","15.645","0.003","26.957","0.005","90","","90","","90","","3104.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Ni O17 -","- C24 H16 N4 Ni O9 -","- C96 H64 N16 Ni4 O36 -","4","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0881","0.0537","","","0.1093","0.1157","","","","","","1.152","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224174","7.9939","0.0002","9.0331","0.0004","11.1337","0.0005","89.976","0.004","83.248","0.003","85.245","0.003","795.6","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0499","0.0377","","","0.0814","0.0864","","","","","","1.047","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224175","8.3895","0.0003","9.1961","0.0003","15.9849","0.0006","103.892","0.003","97.021","0.003","90.97","0.003","1186.83","0.07","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N4 O S -","- C8 H16 N4 O S -","- C32 H64 N16 O4 S4 -","4","2","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","1.54184","CuKα","","0.0374","0.0344","","","0.0956","0.0987","","","","","","1.043","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224176","7.7966","0.0005","9.0094","0.0005","10.8792","0.0007","89.053","0.005","85.454","0.005","83.906","0.005","757.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0749","0.0793","","","","","","1.05","","","","has coordinates,has disorder","177742","2020-10-21","18:00:00",""
"7224177","6.6617","0.0002","9.4643","0.0002","13.0807","0.0004","70.44","0.001","80.953","0.001","83.307","0.001","765.64","0.04","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Cl2 I N2 O2 Ru -","- C12 H8 Cl2 I N2 O2 Ru -","- C24 H16 Cl4 I2 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0294","0.0211","","","0.044","0.0465","","","","","","1.018","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224178","6.6553","0.0001","16.3426","0.0004","10.2145","0.0002","90","","97.865","0.001","90","","1100.53","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H9 Br2 Cl3 I4 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C26 H18 Br4 Cl6 I4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0308","0.0239","","","0.0542","0.0558","","","","","","0.994","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224179","15.6811","0.0006","7.3656","0.0003","9.4737","0.0004","90","","90","","90","","1094.22","0.08","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H8 I6 N2 O2 Ru -","- C12 H8 I6 N2 O2 Ru -","- C24 H16 I12 N4 O4 Ru2 -","2","0.5","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0208","0.0193","","","0.04","0.0404","","","","","","1.088","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224180","9.0961","0.0016","10.371","0.003","10.572","0.003","112.39","0.03","93.49","0.03","90.7","0.02","919.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 I4 N2 O2 Ru -","- C12 H8 I4 N2 O2 Ru -","- C24 H16 I8 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0478","0.0338","","","0.0879","0.0955","","","","","","1.051","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224181","11.6841","0.0006","11.4179","0.0006","17.2077","0.0009","90","","105.946","0.001","90","","2207.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br Cl3 I3 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C52 H36 Br8 Cl12 I8 N8 O8 Ru4 -","4","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0309","0.0204","","","0.0454","0.0494","","","","","","1.052","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224182","6.4683","0.0003","12.3842","0.0005","21.1414","0.0009","89.106","0.002","83.451","0.002","87.535","0.002","1680.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl4 N2 O2 Ru -","- C13 H10 Cl4 N2 O2 Ru -","- C52 H40 Cl16 N8 O8 Ru4 -","4","2","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0412","0.0297","","","0.0703","0.0772","","","","","","1.035","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224183","8.3627","0.0006","6.9269","0.0005","12.705","0.0009","90","","103.49","0.002","90","","715.67","0.09","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Ru -","- C12 H8 Br2 N2 O2 Ru -","- C24 H16 Br4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0272","0.0235","","","0.0552","0.0564","","","","","","1.011","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224184","13.7231","0.0015","11.922","0.0013","18.0712","0.0019","90","","90","","90","","2956.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 O2 Ru -","- C12 H8 I2 N2 O2 Ru -","- C96 H64 I16 N16 O16 Ru8 -","8","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0324","0.0235","","","0.049","0.0522","","","","","","1.079","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224185","16.2","0.01","7.378","0.007","8.793","0.006","90","","105.079","0.03","90","","1014.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isoniazid-adipic acid cocrystal II","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Sarceviča, I.; Kons, A.; Orola, L.","Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods","CrystEngComm","2016","18","9","1625","","10.1039/C5CE01774B","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.9","","","","","","","has coordinates","177768","2020-10-21","18:00:00",""
"7224194","18.1183","0.0003","19.5986","0.0004","24.7135","0.0005","75.385","0.0007","83.625","0.0006","74.064","0.0011","8157.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","","- C135 H202 Ag4 Cl6 F12 O34 S12 -","- C133 H188 Ag4 Cl6 F12 O33 S12 -","- C266 H376 Ag8 Cl12 F24 O66 S24 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","0.71073","MoKα","","0.1226","0.0952","","","0.2465","0.2636","","","","","","1.071","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224195","14.4639","0.0003","17.1573","0.0005","19.8936","0.0008","67.754","0.003","71.544","0.003","88.853","0.002","4306.2","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","","- C72 H107 Ag3 F9 O19.5 S6 -","- C72 H106 Ag3 F9 O19.5 S6 -","- C144 H212 Ag6 F18 O39 S12 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","x-ray","1.54184","CuKα","","0.0996","0.0856","","","0.2508","0.272","","","","","","1.035","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224196","14.9657","0.0003","31.1456","0.0007","22.3769","0.0006","90","","94.729","0.002","90","","10394.7","0.4","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","","- C79 H111 Ag4.5 F13.5 O20.5 S6 -","- C79 H105.5 Ag4.5 F13.5 O20.5 S6 -","- C316 H422 Ag18 F54 O82 S24 -","4","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1187","0.0918","","","0.261","0.2876","","","","","","1.04","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224197","17.7963","0.0006","20.7997","0.0006","24.3087","0.0005","92.255","0.002","98.785","0.002","106.258","0.003","8504.9","0.4","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","","- C153 H227 Ag5 F15 O32.5 S8 -","- C153 H225 Ag5 F15 O32.5 S8 -","- C306 H450 Ag10 F30 O65 S16 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1131","0.0739","","","0.197","0.2279","","","","","","0.991","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224206","11.5457","0.0004","13.4021","0.0005","29.7173","0.0012","90","","95.335","0.004","90","","4578.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0756","0.0428","","","0.0761","0.0863","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224207","11.4775","0.0004","13.3647","0.0005","29.9849","0.0008","90","","94.569","0.003","90","","4584.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0785","0.0428","","","0.079","0.0901","","","","","","1.01","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224208","11.5673","0.0012","13.4937","0.0008","30.088","0.003","90","","93.738","0.01","90","","4686.3","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1413","0.065","","","0.1106","0.1395","","","","","","0.989","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224209","11.583","0.0005","13.5168","0.0004","30.1137","0.0011","90","","93.57","0.004","90","","4705.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0955","0.0505","","","0.0966","0.1141","","","","","","0.991","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224210","11.5844","0.0006","13.5468","0.0005","30.1451","0.0011","90","","93.333","0.004","90","","4722.7","0.3","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0997","0.0513","","","0.1053","0.1244","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224211","11.6183","0.0007","13.554","0.0005","30.111","0.002","90","","93.455","0.005","90","","4733.1","0.5","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1325","0.0595","","","0.1085","0.1357","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224212","11.65","0.0005","13.5543","0.0006","30.068","0.0012","90","","93.859","0.004","90","","4737.2","0.3","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0964","0.0491","","","0.0888","0.104","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224213","11.5238","0.0007","13.4068","0.0005","29.8526","0.0013","90","","95.231","0.005","90","","4592.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1061","0.0534","","","0.0946","0.1117","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224214","11.5241","0.0006","13.4062","0.0004","29.8989","0.0011","90","","95.061","0.004","90","","4601.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.096","0.051","","","0.0898","0.1048","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224215","11.4898","0.0007","13.3882","0.0005","29.98","0.0013","90","","94.753","0.005","90","","4595.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1051","0.0534","","","0.0953","0.1134","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224216","11.4937","0.0003","13.381","0.0004","29.9575","0.001","90","","94.717","0.003","90","","4591.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0748","0.0466","","","0.0929","0.1046","","","","","","1.023","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224217","11.4854","0.0003","13.3693","0.0003","30.0108","0.0008","90","","94.639","0.002","90","","4593.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0513","0.0329","","","0.0667","0.0728","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224218","11.5322","0.0004","13.4261","0.0005","30.0361","0.0011","90","","94.162","0.004","90","","4638.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0968","0.0514","","","0.0902","0.1054","","","","","","1.012","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224219","11.5569","0.0005","13.4632","0.0005","30.0545","0.0013","90","","93.906","0.004","90","","4665.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1115","0.0537","","","0.0908","0.109","","","","","","1.011","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224220","11.5703","0.0005","13.4876","0.0006","30.0621","0.0014","90","","93.739","0.005","90","","4681.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1202","0.0571","","","0.0914","0.1101","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224221","11.6115","0.0007","13.5033","0.0007","29.982","0.0017","90","","93.955","0.005","90","","4689.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1383","0.0628","","","0.1065","0.1333","","","","","","1","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224222","11.646","0.0006","13.5277","0.0007","30.0138","0.0015","90","","93.953","0.005","90","","4717.2","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.136","0.0596","","","0.0903","0.112","","","","","","1.002","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224223","11.6422","0.0005","13.5412","0.0006","30.0467","0.0011","90","","93.985","0.004","90","","4725.4","0.3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0913","0.0474","","","0.0889","0.1029","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224224","11.6538","0.0006","13.5552","0.0007","30.0383","0.0016","90","","93.725","0.005","90","","4735.1","0.4","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1492","0.0601","","","0.0904","0.1157","","","","","","0.983","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224225","13.691","0.004","22.544","0.006","11.572","0.003","90","","96.98","0.05","90","","3545.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C30 H52 N6 O17 -","- C30 H38 N6 O17 -","- C120 H152 N24 O68 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.71073","MoKα","","0.1222","0.1019","","","0.2549","0.2711","","","","","","1.069","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224226","11.73","0.003","19.81","0.005","17.13","0.004","90","","105.77","0.03","90","","3830.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3","","- C30 H45 Mn N6 Na O21 -","- C30 H35 Mn N6 Na O20.5 -","- C120 H140 Mn4 N24 Na4 O82 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1105","0.1048","","","0.2944","0.3013","","","","","","1.064","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224227","18.78","0.004","18.11","0.004","9.2","0.002","90","","106.22","0.05","90","","3004.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4","","- C30 H38 N6 Ni O11 -","- C30 H36 N6 Ni O11 -","- C120 H144 N24 Ni4 O44 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1095","0.0841","","","0.2394","0.2671","","","","","","1.085","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224228","10.83","0.016","18.48","0.002","16.55","0.002","90","","103.9","0.02","90","","3215","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C30 H40 N6 O14 Zn2 -","- C30 H34 N6 O14 Zn2 -","- C120 H136 N24 O56 Zn8 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotronradiation","","0.1989","0.0951","","","0.2204","0.2896","","","","","","1.018","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224229","11.36","0.003","22.08","0.003","15.56","0.003","90","","90.2","0.03","90","","3902.9","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6","","- C30 H50 N6 Ni O19 Zn -","- C30 H34 N6 Ni O19 Zn -","- C120 H136 N24 Ni4 O76 Zn4 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1127","0.1057","","","0.3426","0.3522","","","","","","1.669","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224230","37","0.004","12.5","0.004","18.68","0.004","90","","111.4","0.03","90","","8044","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7","","- C30 H52 Mn N6 O20 Zn -","- C30 H34 Mn N6 O20 Zn -","- C240 H272 Mn8 N48 O160 Zn8 -","8","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1171","0.1041","","","0.3237","0.345","","","","","","1.562","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224231","4.9477","0.0002","10.5762","0.0005","13.8911","0.0007","109.507","0.005","95.486","0.004","101.807","0.004","660","0.06","120","1","120","2","","","","","","","see text","4","P -1","-P 1","2","","111 GASM 14D sovate","","- C13 H15 N O8 -","- C13 H15 N O8 -","- C26 H30 N2 O16 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0389","0.034","","","0.0831","0.0862","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224232","4.7352","0.0002","16.3413","0.0005","15.6208","0.0009","90","","91.454","0.004","90","","1208.34","0.09","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","111 GASM hydrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0728","0.046","","","0.0873","0.1005","","","","","","1.012","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224233","8.0698","0.0004","10.3449","0.0006","15.3908","0.001","102.993","0.005","91.11","0.005","109.434","0.005","1174.4","0.13","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","221 GASM hydrate","","- C11 H12 N O7.5 -","- C11 H12 N O7.5 -","- C44 H48 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0741","0.0561","","","0.1406","0.1574","","","","","","1.06","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224234","11.4899","0.0007","13.1674","0.0007","13.3084","0.001","67.527","0.006","67.492","0.007","64.74","0.006","1623.5","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","421 GASM hydrate","","- C15 H17 N2 O9.5 -","- C15 H17 N2 O9.5 -","- C60 H68 N8 O38 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0581","0.0441","","","0.108","0.1202","","","","","","1.053","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224235","8.2761","0.0004","11.6893","0.0006","14.7645","0.0007","108.269","0.004","97.664","0.004","101.744","0.004","1297.75","0.12","110","0.1","110","2","","","","","","","see text","4","P -1","-P 1","2","","221 GASM Act solvate","","- C12.5 H14 N O7.5 -","- C12.5 H14 N O7.5 -","- C50 H56 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0495","0.0404","","","0.1039","0.1106","","","","","","1.037","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224236","9.1318","0.0004","14.0453","0.0006","15.5062","0.0007","79.362","0.004","85.337","0.003","79.211","0.003","1917.82","0.15","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","331 GASM EtOAc solvate","","- C37 H39 N3 O23 -","- C37 H39 N3 O23 -","- C74 H78 N6 O46 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.1053","0.0591","","","0.1542","0.1873","","","","","","1.019","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224237","5.927","0.005","8.342","0.005","13.899","0.005","79.829","0.005","84.029","0.005","77.411","0.005","658.6","0.7","110","0.1","110","0.1","","","","","","","see text","4","P 1","P 1","1","","221 GASM THF solvate","","- C13 H15 N O7.5 -","- C13 H15 N O7.5 -","- C26 H30 N2 O15 -","2","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0558","0.0442","","","0.1071","0.1172","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224244","38.3937","0.0002","38.3937","0.0002","38.3937","0.0002","90","","90","","90","","56595.2","0.5","150","2","150","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","Ir-POF-1","","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C576 H288 Cl12 Ir12 N48 O256 Zr48 -","4","0.0416667","","Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong","A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis","CrystEngComm","2016","18","12","2203","","10.1039/C6CE00358C","","","1.54178","","","0.0919","0.0763","","","0.2396","0.2559","","","","","","1.063","","","","has coordinates","181598","2020-10-21","18:00:00",""
"7224255","8.813","0.002","23.763","0.005","14.62","0.003","90","","91.91","0.02","90","","3060.1","1.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 I6 N10 O9 Zn2 -","- C55 H48 I6 N10 O9 Zn2 -","- C110 H96 I12 N20 O18 Zn4 -","2","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0772","0.0493","","","0.1041","0.1149","","","","","","1.04","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224256","24.0554","0.0018","11.3346","0.0009","22.9563","0.0018","90","","98.893","0.008","90","","6184","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 I6 N12 O10 Zn -","- C58 H52 I6 N12 O10 Zn -","- C232 H208 I24 N48 O40 Zn4 -","4","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0626","0.0475","","","0.1215","0.1298","","","","","","1.037","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224257","10.1389","0.0005","14.9139","0.0008","23.1236","0.0012","90","","95.194","0.002","90","","3482.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.42 H35.65 N6.81 O5.81 Zn -","- C33.421 H35.649 N6.807 O5.807 Zn -","- C133.684 H142.596 N27.228 O23.228 Zn4 -","4","1","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.1145","0.0789","","","0.2271","0.2566","","","","","","1.057","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224258","19.4674","0.0004","5.92693","0.00011","31.1266","0.0007","90","","90","","90","","3591.45","0.13","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 O23 Zn3 -","- C32 H32 O23 Zn3 -","- C128 H128 O92 Zn12 -","4","1","","Ohtani, Masataka; Takase, Kazutaka; Wang, Pengyu; Higashi, Kouki; Ueno, Kimiyoshi; Yasuda, Nobuhiro; Sugimoto, Kunihisa; Furuta, Mamoru; Kobiro, Kazuya","Water-triggered macroscopic structural transformation of a metal‒organic framework","CrystEngComm","2016","18","11","1866","","10.1039/C6CE00031B","","","0.78202","Synchrotron","","0.0319","0.0287","","","0.0658","0.0682","","","","","","1.069","","","","has coordinates,has disorder","181609","2020-10-21","18:00:00",""
"7224263","14.3465","0.0007","22.44","0.0011","19.3715","0.0011","90","","92.822","0.004","90","","6228.8","0.6","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 B16 Co2 N2 O10 -","- C14 H30 B16 Co2 N2 O10 -","- C112 H240 B128 Co16 N16 O80 -","8","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1386","0.0809","","","0.1916","0.2055","","","","2.91","2.91","2.22","","","","has coordinates","288070","2023-12-06","12:58:05",""
"7224264","31.1622","0.0012","31.1622","0.0012","11.1615","0.0005","90","","90","","90","","10838.7","0.8","299","1","299","","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C11 H16 B16 Cu2 O11.4 -","- C11 H16 B16 Cu2 O11.4 -","- C88 H128 B128 Cu16 O91.2 -","8","0.5","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1049","0.0928","","","0.1924","0.1945","","","","4.53","4.53","4.16","","","","has coordinates","181597","2020-10-21","18:00:00",""
"7224265","20.8189","0.0004","23.3745","0.0005","12.7036","0.0003","90","","90","","90","","6182","0.2","150","0.1","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.512 H58.127 B24 N3.102 O16.102 Zn4 -","- C27.515 H58.133 B24 N3.103 O16.103 Zn4 -","- C110.06 H232.532 B96 N12.412 O64.412 Zn16 -","4","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.0669","0.0617","","","0.1634","0.1675","","","","2.7","2.7","2.65","","","","has coordinates","288070","2023-12-06","12:58:11",""
"7224279","21.638","0.005","20.983","0.005","12.364","0.005","90","","90","","90","","5614","3","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O5 -","- C26 H18 Co N4 O5 -","- C208 H144 Co8 N32 O40 -","8","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0843","0.0569","","","0.15","0.1727","","","","","","1.019","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224280","14.556","0.005","12.648","0.005","17.312","0.005","90","","110.84","0.005","90","","2978.7","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N5 O6 -","- C29 H25 Co N5 O6 -","- C116 H100 Co4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0884","0.0728","","","0.2205","0.2355","","","","","","1.039","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224281","10.284","0.005","19.302","0.005","11.701","0.005","90","","102.472","0.005","90","","2267.9","1.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O5 Zn -","- C26 H18 N4 O5 Zn -","- C104 H72 N16 O20 Zn4 -","4","0.5","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0366","0.0328","","","0.0897","0.0922","","","","","","1.098","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224282","14.298","0.005","12.999","0.005","16.979","0.005","90","","108.28","0.005","90","","2996.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N5 O6 -","- C29 H25 Cd N5 O6 -","- C116 H100 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0638","0.0556","","","0.1573","0.1641","","","","","","1.04","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224283","14.261","0.005","13.024","0.005","17.038","0.005","90","","108.197","0.005","90","","3006.3","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0508","0.0357","","","0.0847","0.0929","","","","","","1.036","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224284","14.499","0.005","12.841","0.005","16.771","0.005","90","","108.244","0.005","90","","2965.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N5 O6 -","- C30 H27 Cd N5 O6 -","- C120 H108 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0818","0.0561","","","0.1355","0.1537","","","","","","1.073","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224285","14.268","0.005","12.993","0.005","16.902","0.005","90","","107.945","0.005","90","","2980.9","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cu N5 O6 -","- C29 H25 Cu N5 O6 -","- C116 H100 Cu4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.1009","0.0781","","","0.1844","0.2284","","","","","","1.05","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224286","12.713","0.016","8.649","0.011","15.231","0.019","90","","103.798","0.015","90","","1626","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.0618","0.0402","","","0.1019","0.1168","","","","","","1.03","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224287","11.62","0.003","13.232","0.003","13.981","0.003","105.776","0.001","90.626","0.002","112.721","0.001","1891.8","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C90 H66 N6 O24 -","6","3","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.1091","0.0627","","","0.1675","0.1936","","","","","","1.05","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224288","8.7874","0.0003","12.0308","0.0007","13.8215","0.0008","90","","104.964","0.003","90","","1411.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene 1,1,2,2-tetrachloroethane solvate","","- C30 H22 Cl8 -","- C30 H22 Cl8 -","- C60 H44 Cl16 -","2","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0738","0.0515","","","0.1201","0.1314","","","","","","1.062","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224289","10.4702","0.0009","13.3923","0.001","12.0158","0.0011","90","","89.931","0.008","90","","1684.9","0.2","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0485","0.0365","","","0.0876","0.0954","","","","","","1.101","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224290","10.041","0.002","13.15","0.002","11.378","0.002","90","","88.483","0.017","90","","1501.8","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0816","0.0528","","","0.1294","0.1475","","","","","","1.058","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224291","22.1305","0.0004","5.90728","0.00009","33.8663","0.0006","90","","106.709","0.0018","90","","4240.45","0.13","293","2","293.15","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0677","0.0448","","","0.1089","0.122","","","","","","1.023","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224292","32.3617","0.0007","18.5058","0.0005","7.04172","0.00013","90","","90","","90","","4217.14","0.17","293","2","293.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0624","0.0484","","","0.1275","0.1403","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224293","9.3498","0.0016","9.4481","0.0018","24.396","0.002","89.902","0.012","81.207","0.012","76.231","0.016","2067.2","0.6","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.1684","0.1011","","","0.2633","0.3295","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224320","13.0733","0.0002","16.7932","0.0003","19.0162","0.0002","91.0697","0.0011","94.1916","0.0012","103.074","0.0014","4053.1","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C198 H150 N30 O24 -","6","3","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0472","0.0425","","","0.1137","0.117","","","","","","1.087","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224321","14.34241","0.00019","19.5568","0.0002","11.3441","0.00016","90","","94.0477","0.0012","90","","3173.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N6 O5 -","- C37 H34 N6 O5 -","- C148 H136 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0538","0.0424","","","0.0981","0.1044","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224322","14.5114","0.0007","19.1956","0.0007","11.3102","0.0004","90","","97.975","0.004","90","","3120","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 D6 N5 O6 S -","- C35 H27 D6 N5 O6 S -","- C140 H108 D24 N20 O24 S4 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.1021","0.061","","","0.1416","0.1634","","","","","","1.093","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224323","13.934","0.003","19.167","0.0019","11.1543","0.0014","90","","94.855","0.018","90","","2968.3","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N6 O4 -","- C35 H28 N6 O4 -","- C140 H112 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54184","CuKα","","0.1041","0.0591","","","0.1209","0.1499","","","","","","0.952","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224324","8.9343","0.0002","12.0833","0.0002","13.1298","0.0002","112.097","0.002","93.024","0.002","101.52","0.002","1274.04","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 O3 -","- C27 H22 Cl2 N4 O3 -","- C54 H44 Cl4 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0838","0.0657","","","0.1671","0.183","","","","","","1.052","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224325","9.0133","0.0001","11.9653","0.0001","12","0.0001","83.142","0.001","81.233","0.001","69.213","0.001","1192.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H21 Cl N4 O3 -","- C26.5 H21 Cl N4 O3 -","- C53 H42 Cl2 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.067","0.0582","","","0.1498","0.1586","","","","","","1.049","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224326","8.189","0.0002","12.1939","0.0003","14.5599","0.0003","68.849","0.002","80.18","0.003","86.555","0.003","1336.08","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N5 O4 -","- C30 H29 N5 O4 -","- C60 H58 N10 O8 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0813","0.0512","","","0.1195","0.1369","","","","","","1.027","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224327","10.9333","0.0006","18.054","0.0011","21.5317","0.0014","90","","90","","90","","4250.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N4 O3 -","- C26 H20 N4 O3 -","- C208 H160 N32 O24 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.101","0.0543","","","0.1132","0.135","","","","","","1.039","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224328","8.5193","0.0003","9.8054","0.0004","14.3709","0.0004","74.437","0.003","75.224","0.003","78.208","0.003","1106.25","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C26 H21 N5 O3 -","- C26 H21 N5 O3 -","- C52 H42 N10 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0568","0.0439","","","0.1054","0.1126","","","","","","1.1","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224329","12.3983","0.0002","19.7518","0.0003","14.0691","0.0002","90","","99.8562","0.0016","90","","3394.51","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl3 N6 O4 -","- C35 H25 Cl3 N6 O4 -","- C140 H100 Cl12 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0661","0.0501","","","0.1198","0.1299","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224330","12.1856","0.0005","20.3897","0.0008","13.7195","0.0005","90","","95.426","0.003","90","","3393.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N7 O5 -","- C38 H33 N7 O5 -","- C152 H132 N28 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1275","0.0703","","","0.1653","0.2001","","","","","","1.021","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224331","12.2684","0.0004","20.2242","0.0007","13.8112","0.0005","90","","98.246","0.002","90","","3391.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N6 O5 -","- C38 H32 N6 O5 -","- C152 H128 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1238","0.083","","","0.21","0.2409","","","","","","1.031","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224332","8.7193","0.0002","13.1332","0.0003","13.2791","0.0005","114.688","0.001","97.288","0.001","103.693","0.001","1297.73","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N5 O5 -","- C30 H27 N5 O5 -","- C60 H54 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.71073","MoKα","","0.1002","0.0586","","","0.1308","0.1503","","","","","","1.062","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224333","8.7246","0.0005","13.2012","0.0005","15.2754","0.0005","97.888","0.003","104.934","0.004","104.062","0.004","1611.06","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N2-(2-acetamidophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C32 H35 N5 O6 S2 -","- C32 H35 N5 O6 S2 -","- C64 H70 N10 O12 S4 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0735","0.0516","","","0.1138","0.1271","","","","","","1.031","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224334","26.4407","0.0011","8.6348","0.0003","21.4502","0.001","90","","94.284","0.002","90","","4883.6","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N5 O4 -","- C28 H23 N5 O4 -","- C224 H184 N40 O32 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0901","0.0518","","","0.1129","0.1333","","","","","","1.072","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224335","9.6881","0.0006","10.6294","0.0007","15.8346","0.0009","105.487","0.005","103.244","0.005","102.241","0.005","1463.32","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C66 H66 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0937","0.058","","","0.0991","0.1136","","","","","","1.037","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224336","13.8945","0.0003","19.3946","0.0004","11.2987","0.0002","90","","92.96","0.002","90","","3040.69","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 D6 N5 O5 -","- C36 H25 D6 N5 O5 -","- C144 H100 D24 N20 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0787","0.0581","","","0.1478","0.1617","","","","","","1.077","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224337","8.837","0.003","9.956","0.002","12.431","0.004","67.08","0.02","85.63","0.03","73.08","0.02","962.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O4 S6 -","- C16 H14 N O4 S6 -","- C32 H28 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71075","MoKα","","0.0577","0.0436","","","0.1033","0.1277","","","","","","1.029","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224338","9.5145","0.0019","9.96","0.002","13.139","0.003","107.14","0.03","106.56","0.03","94.37","0.03","1122.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","1","0.5","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0528","0.0424","","","0.1109","0.1141","","","","","","1.071","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224339","7.5801","0.0015","11.601","0.002","12.317","0.003","89.25","0.03","74.54","0.03","88.44","0.03","1043.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N O4 S6 -","- C17 H16 N O4 S6 -","- C34 H32 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0629","0.0388","","","0.0926","0.1025","","","","","","1.041","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224340","26.74","0.02","15.068","0.012","19.967","0.016","90","","128.436","0.011","90","","6302","9","243","2","243","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","wcz","","","- C42 H70 Ca Cd Cl4 N24 O23 -","- C42 H48 Ca Cd Cl4 N24 O16 -","- C168 H192 Ca4 Cd4 Cl16 N96 O64 -","4","0.5","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1917","0.1023","","","0.2904","0.3397","","","","","","0.948","","","","has coordinates","181603","2020-10-21","18:00:00",""
"7224341","14.998","0.006","18.882","0.008","27.686","0.012","90","","92.018","0.006","90","","7836","6","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wcz","","","- C42 H90 Ba2 Cd Cl6 N24 O33 -","- C42 H48 Ba2 Cd Cl6 N24 O19 -","- C168 H192 Ba8 Cd4 Cl24 N96 O76 -","4","1","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1967","0.0987","","","0.2573","0.298","","","","","","0.897","","","","has coordinates,has disorder","181603","2020-10-21","18:00:00",""
"7224342","6.8378","0.0004","12.9909","0.0008","13.6543","0.0008","74.892","0.005","77.728","0.005","77.116","0.005","1126.02","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 La N3 O10 -","- C18 H17 F3 La N3 O10 -","- C36 H34 F6 La2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71","MoKα","","0.0544","0.0423","","","0.0618","0.0707","","","","","","1.027","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224343","6.8156","0.0008","12.914","0.0015","13.6372","0.0013","74.71","0.009","77.652","0.009","76.938","0.01","1112.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Pr -","- C18 H17 F3 N3 O10 Pr -","- C36 H34 F6 N6 O20 Pr2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0528","0.0418","","","0.0802","0.086","","","","","","1.006","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224344","6.806","0.0003","12.881","0.0009","13.6265","0.0008","74.631","0.006","77.655","0.005","76.893","0.005","1106.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 Nd O10 -","- C18 H17 F3 N3 Nd O10 -","- C36 H34 F6 N6 Nd2 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0468","0.039","","","0.0749","0.0812","","","","","","1.049","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224345","6.7955","0.0004","12.8007","0.0008","13.6033","0.0009","74.644","0.005","77.629","0.005","76.699","0.005","1095.54","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Eu F3 N3 O10 -","- C18 H17 Eu F3 N3 O10 -","- C36 H34 Eu2 F6 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0584","0.063","","","","","","1.038","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224346","6.7892","0.0005","12.7644","0.0012","13.5843","0.0016","74.594","0.009","77.659","0.009","76.719","0.008","1089.84","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 Gd N3 O10 -","- C18 H17 F3 Gd N3 O10 -","- C36 H34 F6 Gd2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0374","0.0329","","","0.0723","0.0759","","","","","","1.028","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224347","6.7859","0.0004","12.7748","0.0007","13.566","0.0008","74.689","0.005","77.546","0.005","76.536","0.005","1088.1","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Tb -","- C18 H17 F3 N3 O10 Tb -","- C36 H34 F6 N6 O20 Tb2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0332","0.0288","","","0.0589","0.0621","","","","","","1.039","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224348","6.7196","0.0004","13.0045","0.0009","13.3399","0.0009","94.604","0.006","93.382","0.005","102.228","0.005","1132.12","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F3 N3 O11 Tm -","- C18 H19 F3 N3 O11 Tm -","- C36 H38 F6 N6 O22 Tm2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0431","0.0364","","","0.0713","0.0768","","","","","","1.107","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224349","8.6142","0.0002","27.4686","0.0009","15.3524","0.0004","90","","100.233","0.003","90","","3574.9","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Eu F2 N7 O10 -","- C36 H28 Eu F2 N7 O10 -","- C144 H112 Eu4 F8 N28 O40 -","4","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0709","0.047","","","0.1078","0.1255","","","","","","1.046","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224350","13.6952","","11.1812","","10.7534","","82.39","","92.5433","","90.1698","","1630.54","","298.15","","298.15","","","","","","","","","5","P 1","P 1","1","GL-SA","","","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","1","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.782","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"7224351","10.8484","","14.3701","","13.0037","","90","","125.84","","90","","1643.34","","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GL-MA","","","- C19 H27 N3 O8 S -","- C19 H27 N3 O8 S -","- C76 H108 N12 O32 S4 -","4","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.894","","","","","","","has coordinates","181593","2020-10-21","18:00:00",""
"7224352","11.6181","0.0001","12.7879","0.0001","24.72","0.0002","90","","91.4752","0.0006","90","","3671.46","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(FIO)3:CH2Cl2","","","- C40 H23 Cl2 F3 N6 O6 -","- C40 H23 Cl2 F3 N6 O6 -","- C160 H92 Cl8 F12 N24 O24 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.042","0.0347","","","0.0867","0.093","","","","","","1.032","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224353","11.4994","0.0001","18.9382","0.0001","17.4326","0.0001","90","","91.599","0.002","90","","3794.96","0.04","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(FIO)3:DMSO","","","- C41 H27 F3 N6 O7 S -","- C41 H27 F3 N6 O7 S -","- C164 H108 F12 N24 O28 S4 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0416","0.036","","","0.0986","0.1048","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224354","12.007","0.001","12.0935","0.0009","17.6041","0.0014","100.016","0.007","103.607","0.007","90.467","0.007","2443.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","(FIO)4","","","- C53 H29 Cl3 F4 N8 O8 -","- C53 H29 Cl3 F4 N8 O8 -","- C106 H58 Cl6 F8 N16 O16 -","2","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0821","0.0582","","","0.1588","0.1839","","","","","","1.024","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224355","12.8052","0.0001","23.0739","0.0001","18.4579","0.0002","90","","107.394","0.001","90","","5204.29","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(FIO)4:2(Acetone)","","","- C58 H40 F4 N8 O10 -","- C58 H40 F4 N8 O10 -","- C232 H160 F16 N32 O40 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0677","0.0638","","","0.1931","0.1966","","","","","","1.11","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224356","55.0537","0.001","36.3597","0.0005","10.6018","0.0002","90","","90","","90","","21222","0.6","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","(ClIO)3:DMSO:H2O","","","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C684.16 H516.48 Cl48 N96 O146.08 S30.08 -","4","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0549","0.0497","","","0.1371","0.1426","","","","","","1.053","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224357","13.8337","0.0001","19.0181","0.0001","19.0737","0.0001","90","","90","","90","","5018.11","0.05","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(ClIO)4:CH2Cl2","","","- C106 H60 Cl12 N16 O16 -","- C106 H60 Cl12 N16 O16 -","- C212 H120 Cl24 N32 O32 -","2","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0451","0.0377","","","0.1066","0.1139","","","","","","1.023","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224358","13.9556","0.0003","19.085","0.0004","19.123","0.0003","90","","90","","90","","5093.27","0.17","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CH2Cl2","","","- C57 H42 Cl2 N8 O8 -","- C57 H42 Cl2 N8 O8 -","- C228 H168 Cl8 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0768","0.0611","","","0.1395","0.1476","","","","","","1.091","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224359","14.1849","0.0002","19.089","0.0002","19.1396","0.0002","90","","90","","90","","5182.54","0.11","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CHCl3","","","- C57 H41 Cl3 N8 O8 -","- C57 H41 Cl3 N8 O8 -","- C228 H164 Cl12 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.061","0.0445","","","0.1143","0.1271","","","","","","1.029","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224360","13.9915","0.0006","19.1005","0.0008","19.0658","0.0007","90","","90","","90","","5095.2","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 chloroform solvate","","","- C52.8 H28.8 Cl6.4 N8 O8 -","- C52.8 H28.8 Cl6.4 N8 O8 -","- C211.2 H115.2 Cl25.6 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.1716","0.0491","","","0.0901","0.1178","","","","","","0.703","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224361","13.6868","0.0009","19.0571","0.0011","19.07","0.0011","90","","90","","90","","4974","0.5","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 dichloromethane solvate","","","- C52.61 H29.22 Cl5.22 N8 O8 -","- C52.61 H29.22 Cl5.22 N8 O8 -","- C210.44 H116.88 Cl20.88 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0845","0.0553","","","0.1458","0.1723","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224362","40.2669","0.001","13.9032","0.0005","25.9948","0.0009","90","","104.201","0.003","90","","14108.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 Co3 N4 O16 -","- C80 H48 Co3 N4 O16 -","- C320 H192 Co12 N16 O64 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.0539","0.0393","","","0.0862","0.0887","","","","","","1.023","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224363","26.9364","0.0007","22.1231","0.0004","26.0462","0.0008","90","","109.737","0.003","90","","14609.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H48 Cd3 N4 O16 -","- C80 H48 Cd3 N4 O16 -","- C320 H192 Cd12 N16 O64 -","4","1","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.1186","0.0826","","","0.2405","0.2709","","","","","","1.057","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224366","24.282","0.005","19.029","0.004","16.19","0.003","90","","100.99","0.03","90","","7344","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N7 O6 Zn -","- C33.5 H25.5 N5.5 O4.5 Zn -","- C268 H204 N44 O36 Zn8 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.116","0.1046","","","0.2586","0.2651","","","","","","1.066","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224367","24.286","0.005","18.962","0.004","16.247","0.003","90","","99.84","0.03","90","","7372","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd N7 O6 -","- C32 H21.568 Cd N5 O4 -","- C256 H172.544 Cd8 N40 O32 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.1337","0.1108","","","0.316","0.3367","","","","","","1.201","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224368","8.5269","0.0017","26.774","0.005","12.05","0.002","90","","105.38","0.03","90","","2652.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H20 Cu Gd I N4 O7.5 -","- C21 H19 Cu Gd I N4 O7.5 -","- C84 H76 Cu4 Gd4 I4 N16 O30 -","4","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0634","0.0535","","","0.126","0.1302","","","","","","1.094","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224369","25.493","0.004","25.493","0.004","9.1268","0.0018","90","","90","","90","","5931.4","1.8","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H19 Cu2 Gd I2 N4 O7 -","- C21 H14 Cu2 Gd I2 N4 O7 -","- C168 H112 Cu16 Gd8 I16 N32 O56 -","8","0.5","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0326","0.0317","","","0.0797","0.0803","","","","","","1.055","","","","has coordinates,has disorder","185290","2020-10-21","18:00:00",""
"7224370","46.009","0.003","9.7333","0.0005","20.7159","0.0016","90","","105.77","0.004","90","","8927.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cu3 Gd I3 N3 O8 -","- C38 H31 Cu3 Gd I3 N3 O8 -","- C304 H248 Cu24 Gd8 I24 N24 O64 -","8","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0748","0.0369","","","0.0808","0.0936","","","","","","0.939","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224371","9.6323","0.0019","16.676","0.003","21.182","0.004","104.08","0.03","100.39","0.03","97.03","0.03","3196.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Gd I4 N3 O13 -","- C36 H28 Cu4 Gd I4 N3 O8 -","- C72 H56 Cu8 Gd2 I8 N6 O16 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0553","0.0392","","","0.1141","0.1201","","","","","","1.069","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224384","9.6221","0.0009","24.191","0.003","13.991","0.0014","90","","94.128","0.006","90","","3248.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C53 H68 Br10 Cd N8 O -","- C53 H64 Br10 Cd N8 O -","- C106 H128 Br20 Cd2 N16 O2 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","1.54178","CuKα","","0.0901","0.0608","","","0.1706","0.1855","","","","","","1.055","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224385","9.585","0.0019","24.232","0.005","14.047","0.003","90","","94.31","0.03","90","","3253.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H68.4 Br10 Cd N9 O0.7 -","- C54 H67 Br10 Cd N9 O0.7 -","- C108 H134 Br20 Cd2 N18 O1.4 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","0.7749","Synchrotron","","0.0828","0.0773","","","0.2281","0.2343","","","","","","1.082","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224386","7.727","0.0007","31.123","0.002","9.4423","0.0009","90","","90.283","0.007","90","","2270.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0575","0.0445","","","0.0761","0.0777","","","","","","1.546","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224387","7.696","0.0007","30.757","0.002","9.355","0.0009","90","","90.217","0.007","90","","2214.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.043","0.0371","","","0.1449","0.147","","","","","","1.522","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224388","10.9103","0.0002","19.8342","0.0004","11.3617","0.0002","90","","100.744","0.002","90","","2415.54","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br8 P2 Sb2 -","- C6 H20 Br8 P2 Sb2 -","- C24 H80 Br32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0377","0.029","","","0.0729","0.075","","","","","","1.157","","","","has coordinates,has disorder","181616","2020-10-21","18:00:00",""
"7224391","16.6417","0.0018","5.4913","0.0006","23.838","0.003","90","","98.603","0.002","90","","2153.9","0.4","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-adipic acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-hexane-1,6-dicarboxylic acid","","- C21 H20 Cl N2 O4 S -","- C21 H20 Cl N2 O4 S -","- C84 H80 Cl4 N8 O16 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0632","0.0555","","","0.1444","0.1516","","","","","","1.025","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224392","12.552","0.003","12.574","0.003","14.989","0.003","96.69","0.003","114.553","0.002","90.099","0.003","2133.8","0.8","278","2","278","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-caprolactam dihydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-Azepan-2-one dihydrate","","- C42 H45 Cl2 N5 O7 S2 -","- C42 H45 Cl2 N5 O7 S2 -","- C84 H90 Cl4 N10 O14 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0526","0.044","","","0.1227","0.1295","","","","","","1.037","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224393","11.8317","0.0015","12.7266","0.0016","15.772","0.002","90","","90.203","0.002","90","","2374.9","0.5","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-gluraric acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-pentanedioic acid","","- C23 H23 Cl N2 O6 S -","- C23 H23 Cl N2 O6 S -","- C92 H92 Cl4 N8 O24 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0517","0.0445","","","0.1219","0.1281","","","","","","1.039","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224394","9.0238","0.0003","10.1284","0.0005","14.8544","0.0009","82.766","0.005","77.64","0.004","85.386","0.004","1313.61","0.11","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid","","- C26 H29 Cl N2 O6 S -","- C26 H29 Cl N2 O6 S -","- C52 H58 Cl2 N4 O12 S2 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","1.54184","CuKα","","0.0498","0.0424","","","0.1154","0.1219","","","","","","1.044","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224395","12.2796","0.0015","12.4817","0.001","14.8713","0.0018","95.187","0.008","113.754","0.012","91.242","0.008","2073.5","0.4","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal hydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid trihydrate","","- C40 H41 Cl2 N4 O9 S2 -","- C40 H41 Cl2 N4 O9 S2 -","- C80 H82 Cl4 N8 O18 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.1562","0.0649","","","0.0936","0.1307","","","","","","0.962","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224398","8.2284","0.0005","9.8021","0.0006","9.8519","0.0006","96.266","0.001","90.993","0.001","112.429","0.001","728.61","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd N3 Na O10 -","- C9 H14 Cd N3 Na O10 -","- C18 H28 Cd2 N6 Na2 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0243","0.0231","","","0.0558","0.0573","","","","","","0.962","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224399","14.2044","0.0009","7.8754","0.0005","22.2696","0.0013","90","","90","","90","","2491.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd N3 O8 -","- C9 H11 Cd N3 O8 -","- C72 H88 Cd8 N24 O64 -","8","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0255","0.0208","","","0.0525","0.0552","","","","","","0.919","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224400","8.5713","0.0017","9.793","0.002","9.91","0.002","97.99","0.03","90.62","0.03","112.72","0.03","757.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd K N3 O10 -","- C9 H14 Cd K N3 O10 -","- C18 H28 Cd2 K2 N6 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0319","0.0288","","","0.0677","0.0699","","","","","","0.928","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224401","8.6333","0.0003","9.7461","0.0003","10.2243","0.0003","92.742","0.001","105.95","0.001","115.039","0.001","736","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 Cd N4 O9 -","- C10 H17 Cd N4 O9 -","- C20 H34 Cd2 N8 O18 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0171","0.0156","","","0.048","0.0599","","","","","","1.323","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224402","28.1876","0.0012","20.8706","0.0007","17.9257","0.0007","90","","106.239","0.005","90","","10124.8","0.7","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N4 O12 -","- C56 H60 N4 O12 -","- C448 H480 N32 O96 -","8","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.094","0.0651","","","0.1663","0.1891","","","","","","1.025","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224403","9.9521","0.0007","13.7594","0.001","15.1539","0.0012","113.562","0.007","94.266","0.006","90.364","0.006","1895.3","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O10 -","- C44 H46 N2 O10 -","- C88 H92 N4 O20 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0855","0.0518","","","0.1154","0.1339","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224404","11.6839","0.0004","13.6838","0.0006","14.7557","0.0006","67.409","0.004","89.351","0.003","67.249","0.004","1982.39","0.17","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H50 N2 O11 -","- C45 H50 N2 O11 -","- C90 H100 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0431","0.037","","","0.0973","0.1031","","","","","","1.023","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224405","18.6065","0.0003","14.6623","0.0003","14.2271","0.0003","90","","102.641","0.0018","90","","3787.27","0.13","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N2 O12 -","- C44 H46 N2 O12 -","- C176 H184 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0352","0.0324","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224406","10.8492","0.0006","20.9713","0.0008","11.4872","0.0006","90","","107.111","0.006","90","","2497.9","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 N4 O20 -","- C48 H64 N4 O20 -","- C96 H128 N8 O40 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0814","0.0668","","","0.1763","0.1896","","","","","","1.024","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224407","13.3203","0.0004","16.1527","0.0004","20.8931","0.0004","90","","100.307","0.002","90","","4422.79","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 O10 -","- C54 H50 N2 O10 -","- C216 H200 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0633","0.039","","","0.0943","0.1011","","","","","","0.871","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224408","16.5611","0.0004","20.8203","0.0008","14.9973","0.0004","90","","90","","90","","5171.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C53 H58 N2 O16 -","- C53 H58 N2 O16 -","- C212 H232 N8 O64 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.067","0.0542","","","0.149","0.159","","","","","","1.058","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224427","14.6","0.001","17.903","0.001","23.642","0.002","90","","90","","90","","6179.6","0.8","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H88 O16 P2 -","- C64 H73 O16 P2 -","- C256 H292 O64 P8 -","4","1","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.0947","0.0754","","","0.2274","0.2523","","","","","","0.999","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224428","19.079","0.001","21.608","0.001","26.346","0.002","90","","90","","90","","10861.4","1.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H68 O13 P2 -","- C61 H68 O13 P2 -","- C488 H544 O104 P16 -","8","2","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.1458","0.0824","","","0.2204","0.2711","","","","","","1.011","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224429","9.7558","0.0002","10.5549","0.0002","16.5111","0.0004","90","","112.447","0.002","90","","1571.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Eu N O12 P -","- C8 H15 Eu N O12 P -","- C32 H60 Eu4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0593","0.0612","","","","","","1.025","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224430","9.7306","0.0019","10.53","0.002","16.416","0.005","90","","112.13","0.02","90","","1558.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Gd N O12 P -","- C8 H15 Gd N O12 P -","- C32 H60 Gd4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0261","0.0246","","","0.0606","0.0614","","","","","","1.153","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224431","9.7284","0.0003","10.4717","0.0003","16.4594","0.0006","90","","112.511","0.003","90","","1549.01","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O12 P Tb -","- C8 H15 N O12 P Tb -","- C32 H60 N4 O48 P4 Tb4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0243","0.022","","","0.0541","0.0552","","","","","","1.092","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224432","9.7192","0.0002","10.4517","0.0002","16.4217","0.0004","90","","112.58","0.002","90","","1540.28","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Dy N O12 P -","- C8 H15 Dy N O12 P -","- C32 H60 Dy4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0264","0.0239","","","0.0605","0.0618","","","","","","1.07","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224433","9.7216","0.0003","10.4273","0.0003","16.4046","0.0006","90","","112.678","0.003","90","","1534.37","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Ho N O12 P -","- C8 H15 Ho N O12 P -","- C32 H60 Ho4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0251","0.0228","","","0.0552","0.0568","","","","","","1.016","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224434","10.989","0.002","11.526","0.002","14.98","0.003","90","","90","","90","","1897.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Er2 N O16 P -","- C10 H14 Er2 N O16 P -","- C40 H56 Er8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0161","0.0157","","","0.0396","0.0397","","","","","","1.073","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224435","10.9138","0.0003","11.4793","0.0003","14.9124","0.0003","90","","90","","90","","1868.27","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Tm2 -","- C10 H14 N O16 P Tm2 -","- C40 H56 N4 O64 P4 Tm8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0338","0.033","","","0.0832","0.0839","","","","","","1.049","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224436","10.901","0.002","11.447","0.002","14.89","0.003","90","","90","","90","","1858","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Yb2 -","- C10 H14 N O16 P Yb2 -","- C40 H56 N4 O64 P4 Yb8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0247","0.0234","","","0.0463","0.0466","","","","","","1.147","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224437","10.8491","0.0002","11.4465","0.0002","14.8471","0.0003","90","","90","","90","","1843.78","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Lu2 N O16 P -","- C10 H14 Lu2 N O16 P -","- C40 H56 Lu8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0527","0.0535","","","","","","1.063","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224439","15.198","0.003","15.38","0.004","16.755","0.004","79.01","0.03","69.01","0.03","60.419","0.018","3179.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.2324","0.1877","","","0.4038","0.4518","","","","","","2.114","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224440","16.467","0.004","16.942","0.005","26.1","0.007","81.578","0.009","83.78","0.011","85.515","0.012","7146","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H148 F24 N4 O24 P4 -","- C128 H148 F24 N4 O24 P4 -","- C256 H296 F48 N8 O48 P8 -","2","1","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.23","0.1657","","","0.38","0.4074","","","","","","1.656","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224441","15.07","0.004","15.155","0.003","16.795","0.004","69.85","0.02","78.78","0.02","60.465","0.016","3131.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1697","0.135","","","0.3082","0.3333","","","","","","1.433","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224442","15.109","0.003","15.144","0.003","16.813","0.003","79.04","0.03","69.65","0.03","60.46","0.03","3137.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1569","0.1348","","","0.3371","0.3623","","","","","","2.13","","","","has coordinates,has disorder","185187","2020-10-21","18:00:00",""
"7224443","7.0536","0.0019","9.661","0.003","18.08","0.005","84.809","0.005","78.965","0.005","80.563","0.005","1190.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl3 N6 O3 Sm -","- C20 H24 Cl3 N6 O3 Sm -","- C40 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.028","0.0254","","","0.0618","0.063","","","","","","1.093","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224444","7.0374","0.0007","9.4788","0.001","20.619","0.002","93.687","0.003","99.462","0.003","98.885","0.002","1334.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl3 N6 O3 Sm -","- C24 H24 Cl3 N6 O3 Sm -","- C48 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0375","0.0297","","","0.0755","0.0928","","","","","","1.194","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224445","7.8039","0.0008","12.3957","0.0013","12.9005","0.0014","75.916","0.002","75.023","0.002","82.22","0.002","1165.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Erdpq1","","","- C20 H22 Cl3 Er N6 O2 -","- C20 H22 Cl3 Er N6 O2 -","- C40 H44 Cl6 Er2 N12 O4 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0679","0.0652","","","0.2077","0.2089","","","","","","1.381","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224446","21.54","0.004","17.225","0.003","19.377","0.004","90","","90","","90","","7189","2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Erdppz2","","","- C36 H20 Cl3 Er N8 -","- C36 H20 Cl3 Er N8 -","- C288 H160 Cl24 Er8 N64 -","8","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0445","0.0343","","","0.0825","0.0872","","","","","","1.049","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224447","8.5167","0.0004","8.9163","0.0004","22.2579","0.001","90","","90","","90","","1690.21","0.13","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Cd N4 O2 S2 -","- C14 H12 Cd N4 O2 S2 -","- C56 H48 Cd4 N16 O8 S8 -","4","1","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0346","0.0284","","","0.0592","0.0612","","","","","","1.063","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224448","8.5984","0.0006","9.9463","0.0007","10.6576","0.0006","100.46","0.005","108.911","0.005","92.653","0.005","842.5","0.1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","1","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0558","0.0426","","","0.0962","0.101","","","","","","1.017","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224449","18.418","0.0005","18.418","0.0005","30.698","0.002","90","","90","","90","","10413.5","0.8","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cd4 N20 O8 -","- C48 H44 Cd4 N20 O8 -","- C384 H352 Cd32 N160 O64 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0717","0.0384","","","0.0832","0.0953","","","","","","1.031","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224450","13.498","0.0005","12.6484","0.0006","15.9441","0.0006","90","","107.628","0.004","90","","2594.28","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N20 O8 -","- C46 H40 Cd4 N20 O8 -","- C92 H80 Cd8 N40 O16 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0513","0.0303","","","0.0596","0.0649","","","","","","0.978","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224451","18.469","0.0007","18.469","0.0007","30.558","0.002","90","","90","","90","","10423.5","0.9","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Cd4 N12 O12 -","- C52 H44 Cd4 N12 O12 -","- C416 H352 Cd32 N96 O96 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0838","0.0579","","","0.1339","0.15","","","","","","0.994","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224452","13.479","0.0009","12.6998","0.0006","15.9841","0.0013","90","","106.524","0.008","90","","2623.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cd4 N12 O12 -","- C50 H40 Cd4 N12 O12 -","- C100 H80 Cd8 N24 O24 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0835","0.0561","","","0.1395","0.1556","","","","","","1.029","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224453","13.4664","0.0006","12.4449","0.0005","16.1614","0.0007","90","","100.398","0.005","90","","2664","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N16 O14 -","- C46 H40 Cd4 N16 O14 -","- C92 H80 Cd8 N32 O28 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0549","0.0376","","","0.086","0.0947","","","","","","1.058","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224454","13.3914","0.0006","12.5725","0.0005","16.135","0.0009","90","","101.274","0.004","90","","2664.1","0.2","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C96 H80 Cd8 N24 O32 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0773","0.0592","","","0.1523","0.1677","","","","","","1.046","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224455","12.5084","0.0005","19.1468","0.0009","22.4328","0.0009","90","","90","","90","","5372.6","0.4","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C192 H160 Cd16 N48 O64 -","4","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.1019","0.0571","","","0.0979","0.1092","","","","","","1.09","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224456","39.7415","0.0016","14.3866","0.0006","15.6815","0.0006","90","","103.11","0.0016","90","","8732.1","0.6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 I2 O4 -","- C40 H46 I2 O4 -","- C320 H368 I16 O32 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.0918","0.0809","","0.23","0.2139","0.23","","","","","","0.9725","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224457","29.0803","0.001","9.4848","0.0003","15.2528","0.0005","90","","90","","90","","4207","0.2","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44.82 H53.64 O9.41 -","- C44.82 H53.64 O9.414 -","- C179.28 H214.56 O37.656 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54178","CuKα","","0.0522","0.0516","","0.1246","0.1244","0.1246","","","","","","1.0377","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224458","13.8543","0.001","13.8543","0.001","9.9079","0.001","90","","90","","90","","1901.7","0.3","180","","180","","","","101","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42.54 H45.07 Cl1.07 O6 -","- C42.536 H45.072 Cl1.072 O6 -","- C85.072 H90.144 Cl2.144 O12 -","2","0.25","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54184","CuKα","","0.0622","0.0584","","0.1459","0.1417","0.1459","","","","","","0.9885","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224459","13.23816","0.00015","35.6977","0.0007","30.7491","0.0004","90","","91.61","0.0012","90","","14525.4","0.4","120","","120","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C169 H198 Cl2 O26 -","- C169 H198 Cl2 O26 -","- C676 H792 Cl8 O104 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.1144","0.0919","","0.1617","0.1535","0.1616","","","","","","0.9319","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224468","22.595","0.0003","25.026","0.0003","25.1004","0.0003","90","","109.726","0.001","90","","13360.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C209 H309 Cl2 N11 Nd10 O86 P4 S16 -","- C190 H220 Cl2 N8 Nd10 O76 P4 S16 -","- C380 H440 Cl4 N16 Nd20 O152 P8 S32 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0455","0.0371","","","0.0965","0.102","","","","","","1.018","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224469","22.16","0.0002","39.5294","0.0004","32.4297","0.0003","90","","105.798","0.001","90","","27334.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C215 H309 Cl3 N19 Nd11 O81 P6 S12 -","- C204 H272 Cl3 N16 Nd11 O76 P6 S12 -","- C816 H1088 Cl12 N64 Nd44 O304 P24 S48 -","4","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0906","0.0663","","","0.1667","0.179","","","","","","1.055","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224470","23.9081","0.0004","26.1353","0.0005","43.1391","0.0005","72.952","0.001","75.918","0.001","63.911","0.002","22938.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C326 H491 N23 Nd19 O159 P5 S20 -","- C279 H234 N12 Nd19 O134 P5 S20 -","- C558 H468 N24 Nd38 O268 P10 S40 -","2","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.1097","0.0662","","","0.181","0.1996","","","","","","1.074","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224479","27.509","0.003","7.6304","0.0008","16.2294","0.0017","90","","119.061","0.005","90","","2977.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C112 H80 N24 O32 Zn8 -","8","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0416","0.0342","","","0.092","0.0948","","","","","","1.057","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224480","10.2372","0.0003","27.0204","0.0007","8.738","0.0002","90","","95.568","0.001","90","","2405.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O7 Zn -","- C25 H23 N5 O7 Zn -","- C100 H92 N20 O28 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.069","0.0567","","","0.1376","0.1523","","","","","","1.15","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224481","11.3869","0.0005","8.3323","0.0004","13.9637","0.0006","90","","96.31","0.003","90","","1316.84","0.1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 N4 O6 Zn -","- C20 H14 N4 O6 Zn -","- C40 H28 N8 O12 Zn2 -","2","0.5","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0519","0.0415","","","0.1078","0.1115","","","","","","1.084","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224482","12.8815","0.0009","15.2513","0.0011","14.1699","0.001","90","","92.331","0.004","90","","2781.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C104 H72 N16 O24 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0847","0.0469","","","0.1077","0.1175","","","","","","0.966","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224483","12.486","0.001","14.7786","0.001","13.7673","0.001","90","","104.077","0.003","90","","2464.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br N4 O18 S2 -","- C52 H50 Br N4 O18 S2 -","- C104 H100 Br2 N8 O36 S4 -","2","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0672","0.0386","","","0.0888","0.1009","","","","","","1.013","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224484","13.257","0.0005","13.257","0.0005","31.1199","0.0014","90","","90","","90","","5469.3","0.4","170","2","170","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H20 Br Cu N2 O4 -","- C26 H20 Br Cu N2 O4 -","- C208 H160 Br8 Cu8 N16 O32 -","8","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0969","0.0652","","","0.192","0.2188","","","","","","1.038","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224485","34.9259","0.0006","34.9259","0.0006","27.7797","0.0006","90","","90","","120","","29346.3","1","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H198 Br2 Mn4 N12 O81 -","- C180 H198 Br2.0001 Mn4 N12 O81 -","- C1080 H1188 Br12.0006 Mn24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1088","0.0615","","","0.1627","0.189","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224486","35.0155","0.0008","35.0155","0.0008","27.5842","0.0007","90","","90","","120","","29289.5","1.2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 Co4 N12 O81 -","- C180 H204 Br2.0001 Co4 N12 O81 -","- C1080 H1224 Br12.0006 Co24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0785","0.0492","","","0.1281","0.1436","","","","","","1.02","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224487","35.0383","0.0017","35.0383","0.0017","27.5617","0.0012","90","","90","","120","","29304","2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 N12 Ni4 O81 -","- C180 H204 Br2.0001 N12 Ni4 O81 -","- C1080 H1224 Br12.0006 N72 Ni24 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1001","0.0645","","","0.1729","0.1942","","","","","","1.033","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224488","12.1281","0.0002","16.5109","0.0003","23.7085","0.0005","90","","93.5049","0.001","90","","4738.65","0.15","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Cd N3 O19 -","- C47 H52 Cd N3 O19 -","- C188 H208 Cd4 N12 O76 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0825","0.0439","","","0.0946","0.1123","","","","","","1","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224489","12.487","0.0006","16.035","0.0008","23.5332","0.0012","90","","94.808","0.0017","90","","4695.4","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 N3 O19 Zn -","- C47 H52 N3 O19 Zn -","- C188 H208 N12 O76 Zn4 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1814","0.0677","","","0.1422","0.1848","","","","","","0.985","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224490","11.9508","0.0016","17.898","0.002","16.975","0.002","90","","93.774","0.005","90","","3623","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cu2 N6 O15 -","- C34 H36 Cu2 N6 O15 -","- C136 H144 Cu8 N24 O60 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1744","0.09","","","0.1969","0.232","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224491","12.7183","0.0004","14.0183","0.0005","16.7134","0.0006","90","","110.776","0.0018","90","","2786.06","0.17","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N O2.17 Zn -","- C13 H10 Cl2 N O2.16665 Zn -","- C104 H80 Cl16 N8 O17.3332 Zn8 -","8","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0703","0.0507","","","0.1601","0.1778","","","","","","1.062","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224492","8.1476","0.0017","8.2521","0.0018","12.398","0.003","80.843","0.008","72.38","0.007","67.642","0.007","733.8","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","1","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0966","0.0484","","","0.0942","0.1058","","","","","","0.989","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224499","36.657","0.003","36.657","0.003","10.461","0.0012","90","","90","","120","","12174","2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0969","0.0691","","","0.1869","0.2084","","","","","","1.147","","","","has coordinates","177566","2020-10-21","18:00:00",""
"7224500","7.372","0.004","21.35","0.011","9.953","0.006","90","","105.79","0.009","90","","1507.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[ZnCl(N3)(tzmb)]n","","","- C12 H10 Cl N9 Zn -","- C12 H10 Cl N9 Zn -","- C48 H40 Cl4 N36 Zn4 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0405","0.0376","","","0.1","0.1021","","","","","","1.043","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224501","8.026","0.002","16.449","0.004","12.895","0.003","90","","102.776","0.008","90","","1660.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2Cl3(OH)(tzmb)]n","","","- C12 H11 Cl3 N6 O Zn2 -","- C12 H11 Cl3 N6 O Zn2 -","- C48 H44 Cl12 N24 O4 Zn8 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0627","0.0476","","","0.1176","0.125","","","","","","1.003","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224502","8.9251","0.0007","9.9975","0.0008","16.7168","0.0013","90","","90.338","0.006","90","","1491.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd2(N3)2(C2O4)(tzmb)2]n","","","- C26 H20 Cd2 N18 O4 -","- C26 H20 Cd2 N18 O4 -","- C52 H40 Cd4 N36 O8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0306","0.0267","","","0.0647","0.0682","","","","","","1.108","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224503","10.467","0.003","13.587","0.004","11.9","0.004","90","","112.036","0.007","90","","1568.7","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl(N3)(tzmb)]2??H2O","","","- C24 H22 Cl2 N18 O Zn2 -","- C24 H20 Cl2 N18 O Zn2 -","- C48 H40 Cl4 N36 O2 Zn4 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0621","0.0522","","","0.128","0.1344","","","","","","1.063","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224504","33.046","0.004","9.0309","0.001","16.4592","0.0018","90","","90","","90","","4912","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H32 Mn N2 O8 -","- C24 H32 Mn N2 O8 -","- C192 H256 Mn8 N16 O64 -","8","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0523","0.0489","","","0.1259","0.1299","","","","","","1.06","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224505","9.7472","0.0009","22.777","0.002","7.0903","0.0007","90","","131.453","0.006","90","","1179.8","0.2","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H32 Co N2 O8 -","- C24 H32 Co N2 O8 -","- C48 H64 Co2 N4 O16 -","2","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0476","0.0425","","","0.0894","0.0918","","","","","","1.031","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224506","10.6102","0.001","21.855","0.002","22.183","0.002","90","","90","","90","","5143.9","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H34 Cl2 N2 O7 -","- C24 H34 Cl2 N2 O7 -","- C192 H272 Cl16 N16 O56 -","8","2","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.097","0.0641","","","0.1327","0.1515","","","","","","1.028","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224507","9.261","0.003","10.162","0.003","21.929","0.007","90","","95.901","0.007","90","","2052.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B N2 O2 -","- C26 H19 B N2 O2 -","- C104 H76 B4 N8 O8 -","4","1","","Deng, Ruiping; Li, Leijiao; Song, Mingxing; Zhao, Shuna; Zhou, Liang; Yao, Shuang","Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes","CrystEngComm","2016","18","23","4382","","10.1039/C6CE00066E","","","0.71073","MoKα","","0.1326","0.0733","","","0.1669","0.2018","","","","","","0.987","","","","has coordinates","185281","2020-10-21","18:00:00",""
"7224508","10.9419","0.0004","11.4047","0.0005","14.4901","0.0007","97.473","0.004","107.198","0.004","105.458","0.004","1621.47","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0449","0.0356","","","0.0885","0.0934","","","","","","1.043","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224509","12.5634","0.0005","10.1057","0.0005","18.1729","0.0009","90","","105.024","0.005","90","","2228.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu4 N10 O18 -","- C38 H46 Cu4 N10 O18 -","- C76 H92 Cu8 N20 O36 -","2","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0489","0.0365","","","0.0832","0.0889","","","","","","1.008","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224510","10.1345","0.0007","10.674","0.0007","11.4983","0.0009","98.733","0.006","113.119","0.007","92.033","0.005","1124.48","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0556","0.039","","","0.0786","0.0855","","","","","","1.004","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224511","33.52","0.003","11.8717","0.0009","16.0987","0.0013","90","","105.855","0.002","90","","6162.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.13 H3.02 Br0.26 N0.55 O0.04 -","- C2.12766 H2.89362 Br0.255319 N0.553191 O0.0425532 -","- C200 H272 Br24 N52 O4 -","94","11.75","","Chen, Fei-Jian; Gao, Zi-Hao; Liang, Li-Li; Zhang, Jun; Du, Hong-Bin","Facile preparation of extra-large pore zeolite ITQ-37 based on supramolecular assemblies as structure-directing agents","CrystEngComm","2016","18","15","2735","","10.1039/C5CE02312B","","","0.71073","MoKα","","0.1202","0.0553","","","0.1496","0.173","","","","","","1.072","","","","has coordinates","182647","2020-10-21","18:00:00",""
"7224512","16.9052","0.0011","15.7416","0.001","16.3948","0.0011","90","","90","","90","","4362.9","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakisvinylpyridine bisisothiocyanato nickel(II) diindene","","- C48 H44 N6 Ni S2 -","- C48 H44 N6 Ni S2 -","- C192 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0402","0.0354","","","0.0939","0.0976","","","","","","1.04","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224513","16.8137","0.0018","16.1198","0.0019","16.3865","0.0019","90","","90","","90","","4441.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) dinaphthalene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0731","0.0424","","","0.0744","0.0849","","","","","","1.003","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224514","16.7378","0.0012","16.1297","0.0012","16.4588","0.0012","90","","90","","90","","4443.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) diazulene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0351","0.0276","","","0.0611","0.0643","","","","","","1.014","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224515","10.3322","0.001","16.8462","0.001","22.134","0.002","84.603","0.002","84.385","0.003","74.788","0.003","3690.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1403","0.0496","","","0.0911","0.1157","","","","","","1.001","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224516","10.1821","0.0006","23.1916","0.0014","28.6186","0.0017","74.602","0.001","85.683","0.001","81.596","0.001","6440.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C133 H122 N24 Ni4 S8 -","- C133 H112 N24 Ni4 S8 -","- C266 H224 N48 Ni8 S16 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1735","0.1101","","","0.263","0.2973","","","","","","1.033","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224517","10.4819","0.0009","16.8458","0.0014","22.569","0.0019","100.059","0.002","100.131","0.002","102.908","0.002","3727.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) phenanthrene.benzene","","- C80 H72 N12 Ni2 S4 -","- C80 H72 N12 Ni2 S4 -","- C160 H144 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0663","0.0445","","","0.1122","0.1254","","","","","","1.022","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224518","10.3117","0.0008","16.8992","0.0014","22.3886","0.0017","81.874","0.002","83.128","0.002","76.007","0.001","3732.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocycanato nickel(II) phenanthrene","","- C38.75 H34.25 N6 Ni S2 -","- C38.7499 H34.25 N6 Ni S1.9999 -","- C155 H137 N24 Ni4 S7.9996 -","4","2","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1261","0.0561","","","0.1454","0.1808","","","","","","1.007","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224519","10.1289","0.0004","16.477","0.0009","20.6537","0.001","100.43","0.002","97.129","0.003","105.351","0.003","3214.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) anthracene","","- C67 H56 N12 Ni2 S4 -","- C67 H56 N12 Ni2 S4 -","- C134 H112 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1188","0.0666","","","0.1707","0.1974","","","","","","1.031","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224520","10.9587","0.0007","12.1349","0.0008","19.7621","0.0012","93.907","0.001","91.426","0.001","97.878","0.001","2595.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) pyrene.methanol","","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0461","0.0365","","","0.1056","0.1138","","","","","","1.027","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224527","27.9705","0.0015","27.9705","0.0015","27.9705","0.0015","90","","90","","90","","21883","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 N3 O18 Tb2 -","- C42 H42 Cl3 N3 O18 Tb2 -","- C672 H672 Cl48 N48 O288 Tb32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0578","0.0517","","","0.1575","0.1616","","","","","","1.01","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224528","28.0835","0.0018","28.0835","0.0018","28.0835","0.0018","90","","90","","90","","22149","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H45 Cl3 N3 O18 Sm2 -","- C42 H39 Cl3 N3 O18 Sm2 -","- C672 H624 Cl48 N48 O288 Sm32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0647","0.0587","","","0.1858","0.1899","","","","","","1.143","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224529","27.8574","0.0012","27.8574","0.0012","27.8574","0.0012","90","","90","","90","","21618.3","1.6","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7 Cl0.5 Er0.33 N0.5 O3 -","- C7 H7 Cl0.5 Er0.333333 N0.5 O3 -","- C672 H672 Cl48 Er32 N48 O288 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0479","0.042","","","0.1253","0.1277","","","","","","1.169","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224530","27.9996","0.0006","27.9996","0.0006","27.9996","0.0006","90","","90","","90","","21951.1","0.8","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 Gd2 N3 O18 -","- C42 H42 Cl3 Gd2 N3 O18 -","- C672 H672 Cl48 Gd32 N48 O288 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0577","0.0492","","","0.1354","0.1395","","","","","","1.178","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224531","27.849","0.002","27.849","0.002","27.849","0.002","90","","90","","90","","21599","3","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7.67 Cl0.5 N0.5 O3.33 Yb0.33 -","- C7 H7.6666 Cl N0.5 O3.3333 Yb0.333333 -","- C672 H735.994 Cl96 N48 O319.997 Yb32 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0633","0.0579","","","0.1869","0.1928","","","","","","1.103","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224532","12.7068","0.0018","13.1565","0.0016","17.082","0.003","73.022","0.004","83.299","0.005","63.09","0.004","2435.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H76 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0509","0.0444","","","0.1342","0.1455","","","","","","1.077","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224533","12.0203","0.0002","14.7565","0.0004","16.2297","0.0004","95.69","0.002","109.65","0.002","92.242","0.002","2689.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H108 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0365","0.0297","","","0.0714","0.0756","","","","","","1.048","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224534","11.9641","0.0003","12.0257","0.0004","16.0944","0.0005","102.457","0.003","96.489","0.003","113.464","0.003","2022.34","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H80 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0513","0.0454","","","0.0955","0.0998","","","","","","1.029","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224535","7.4761","0.0005","18.313","0.0014","25.1258","0.0018","90","","93.708","0.002","90","","3432.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O6 S Zn -","- C38 H27 N5 O6 S Zn -","- C152 H108 N20 O24 S4 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1323","0.0521","","","0.1112","0.1518","","","","","","0.989","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224536","12.2467","0.0019","19.625","0.003","13.998","0.002","90","","97.063","0.004","90","","3338.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N5 O4 Zn -","- C36 H25 N5 O4 Zn -","- C144 H100 N20 O16 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1544","0.0687","","","0.1879","0.2451","","","","","","0.987","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224537","10.015","0.007","11.864","0.009","12.319","0.009","98.31","0.014","99.091","0.014","91.291","0.014","1428.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0606","0.0383","","","0.0976","0.1168","","","","","","1.106","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224538","12.4152","0.0009","9.8806","0.0007","27.299","0.002","90","","97.276","0.002","90","","3321.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H58 N10 O8 Zn2 -","- C80 H58 N10 O8 Zn2 -","- C160 H116 N20 O16 Zn4 -","2","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1373","0.0545","","","0.1286","0.1844","","","","","","1.035","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224539","16.8782","0.0007","21.3492","0.0009","20.0506","0.0011","90","","112.197","0.001","90","","6689.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H29 Cd N5 O6 -","- C38 H27 Cd N5 O6 -","- C304 H216 Cd8 N40 O48 -","8","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.057","0.0325","","","0.0862","0.1157","","","","","","1.119","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224540","9.7159","0.0019","11.154","0.002","16.493","0.003","72.729","0.003","78.866","0.004","85.786","0.004","1674.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0734","0.0459","","","0.124","0.1509","","","","","","1.08","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224541","9.8926","0.0016","13.378","0.002","19.747","0.003","97.526","0.003","100.724","0.003","97.005","0.003","2516.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 Cd3 N12 O14 -","- C90 H62 Cd3 N10 O12 -","- C90 H62 Cd3 N10 O12 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0857","0.0609","","","0.1801","0.1905","","","","","","1.025","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224542","18.2405","0.0016","35.036","0.002","22.8447","0.0014","90","","101.071","0.008","90","","14327.8","1.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N8 Na4 O116 P2 W18 Yb2 -","- C56 H64 N8 Na4 O116 P2 W18 Yb2 -","- C224 H256 N32 Na16 O464 P8 W72 Yb8 -","4","0.5","","Reddy, Pulikanti Guruprasad; Mamidi, Narsimha; Pradeep, Chullikkattil P.","An organic–inorganic hybrid supramolecular framework material based on a [P2W18O62]6−cluster and Yb & Na complexes of pyridine-2,6-dicarboxylic acid: a catalyst for selective oxidation of sulfides in water with H2O2","CrystEngComm","2016","18","23","4272","","10.1039/C5CE02546J","","","0.71073","MoKα","","0.1233","0.0849","","","0.2288","0.2872","","","","","","1.048","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7224547","17.342","0.0003","15.8773","0.0002","18.855","0.0003","90","","90","","90","","5191.61","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1822","0.1884","","","","","","1.122","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224548","14.6252","0.0007","16.5703","0.0007","10.4179","0.0005","90","","90","","90","","2524.7","0.2","273","2","273.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","2","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","0.71073","MoKα","","0.0737","0.0691","","","0.2073","0.2112","","","","","","1.117","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224550","24.9004","0.0016","7.9696","0.0006","27.613","0.002","90","","90","","90","","5479.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H54 Co N12 O12 -","- C54 H52 Co N12 O12 -","- C216 H208 Co4 N48 O48 -","4","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","","0.71073","MoKα","","0.1167","0.0804","","","0.2067","0.2357","","","","","","1.064","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224551","11.6287","0.0003","8.0502","0.0002","23.5159","0.0006","90","","103.876","0.003","90","","2137.16","0.1","185","0.1","185","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co N10 O8 -","- C48 H32 Co N10 O8 -","- C96 H64 Co2 N20 O16 -","2","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0496","0.0442","","","0.1167","0.1215","","","","","","1.037","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224552","6.702","0.0003","11.4636","0.0004","17.2245","0.0006","106.65","0.003","91.064","0.004","98.714","0.004","1250.54","0.09","185","0.1","185","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","1","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0886","0.0909","","","","","","1.05","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224553","11.844","0.005","18.268","0.008","16.34","0.007","90","","103.291","0.005","90","","3441","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl4 Fe N2 -","- C34 H39 Cl4 Fe N2 -","- C136 H156 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.1665","0.1078","","","0.3086","0.3658","","","","","","0.948","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224554","19.428","0.003","14.4576","0.0015","11.916","0.0016","90","","90","","90","","3347","0.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl4 Fe N2 -","- C34 H38 Cl4 Fe N2 -","- C136 H152 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","1.54178","CuKα","","0.2161","0.1086","","","0.293","0.3592","","","","","","1.08","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224555","17.33","0.03","11.523","0.017","14.65","0.02","90","","106.739","0.017","90","","2802","7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","0.5","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.0889","0.0539","","","0.1376","0.1607","","","","","","1","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224556","13.295","0.011","14.652","0.013","15.117","0.013","90","","103.464","0.016","90","","2864","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N4 O12 Zn2 -","- C28 H17 N4 O12 Zn2 -","- C112 H68 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1273","0.0681","","","0.1756","0.21","","","","","","0.879","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224557","7.9827","0.0003","14.5526","0.0005","22.379","0.0011","90","","102.608","0.005","90","","2537.06","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O12 Zn2 -","- C26 H12 N4 O12 Zn2 -","- C104 H48 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1568","0.1465","","","0.2996","0.3159","","","","","","1.137","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224558","11.5833","0.0005","11.7884","0.0005","13.8783","0.0006","96.027","0.008","92.924","0.006","107.066","0.009","1794.92","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 N6 O12 Zn -","- C40 H22 N6 O12 Zn -","- C80 H44 N12 O24 Zn2 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1775","0.1124","","","0.2373","0.3151","","","","","","1.069","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224559","13.0719","0.0006","22.534","0.0011","16.8938","0.0008","90","","99.908","0.001","90","","4902.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 Cd3 N4 O27 -","- C32 H8 Cd3 N4 O27 -","- C128 H32 Cd12 N16 O108 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0461","0.0369","","","0.1145","0.1204","","","","","","1.008","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224560","7.52","0.007","15.85","0.015","22.8","0.02","90","","90.031","0.017","90","","2718","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H13 Cd2 N5 O12 -","- C26 H13 Cd2 N5 O12 -","- C104 H52 Cd8 N20 O48 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0977","0.0607","","","0.1481","0.1652","","","","","","1.032","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224561","9.8097","0.0014","11.9458","0.0017","13.1508","0.0019","99.002","0.002","93.161","0.002","110.61","0.002","1414.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Ag2 N4 O12 -","- C29 H20 Ag2 N4 O12 -","- C58 H40 Ag4 N8 O24 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0517","0.0466","","","0.1522","0.1727","","","","","","1.022","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224562","9.782","0.005","13.006","0.007","16.517","0.009","105.994","0.009","93.197","0.008","109.106","0.009","1884","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co2 N6 O14 -","- C40 H24 Co2 N6 O14 -","- C80 H48 Co4 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0971","0.0691","","","0.1731","0.247","","","","","","1.016","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224563","9.7979","0.0014","12.993","0.0018","16.45","0.002","106.174","0.002","93.467","0.002","108.962","0.002","1875.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N6 Ni2 O14 -","- C40 H24 N6 Ni2 O14 -","- C80 H48 N12 Ni4 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0942","0.0622","","","0.1482","0.227","","","","","","1.006","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224564","10.059","0.002","11.605","0.003","16.86","0.004","77.458","0.004","79.847","0.004","79.381","0.004","1869.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Co N6 O14 -","- C40 H22 Co N6 O14 -","- C80 H44 Co2 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1228","0.0786","","","0.2095","0.3123","","","","","","0.97","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224565","13.23","0.002","14.587","0.003","15.124","0.003","90","","98.618","0.003","90","","2885.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 O12 Zn2 -","- C28 H14 N4 O12 Zn2 -","- C112 H56 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0954","0.0826","","","0.2185","0.2311","","","","","","1.054","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224572","4.7283","0.0004","5.7208","0.0004","5.0331","0.0005","90","","90","","90","","136.14","0.02","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Nb2.667 O8 Zn1.333 -","- Nb2.6668 O8 Zn1.3332 -","- Nb2.6668 O8 Zn1.3332 -","1","0.125","","Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia","Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6","CrystEngComm","2016","18","16","2929","","10.1039/C5CE01828E","","x-ray","0.71073","MoKα","","0.0188","0.0151","","","0.0136","0.015","","","","1.18","1.18","1.17","","","","has coordinates","182652","2020-10-21","18:00:00",""
"7224573","8.044","0.002","9.357","0.002","9.822","0.002","111.23","0.002","107.301","0.002","104.268","0.002","603.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","1","0.5","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0324","0.0321","","","0.0901","0.0904","","","","","","1.085","","","","has coordinates,has disorder","182640","2020-10-21","18:00:00",""
"7224574","10.649","0.004","10.677","0.004","10.799","0.004","94.771","0.004","100.757","0.004","95.748","0.004","1193.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C12 H68 Cu2 N8 O40 S8 -","2","1","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0276","0.0261","","","0.0764","0.0786","","","","","","1.032","","","","has coordinates","182640","2020-10-21","18:00:00",""
"7224575","13.7632","0.0003","7.3472","0.0002","18.3748","0.0004","90","","107.385","0.002","90","","1773.2","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C64 H124 N4 O16 S4 -","4","2","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","1.54178","CuKα","","0.0354","0.0292","","","0.0795","0.0857","","","","","","0.992","","","","has coordinates","182655","2020-10-21","18:00:00",""
"7224576","9.3694","0.0003","7.3823","0.0002","13.8573","0.0004","90","","105.537","0.003","90","","923.45","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C32 H62 N2 O8 S2 -","2","1","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","0.71073","MoKα","","0.0547","0.0481","","","0.13","0.1372","","","","","","1.043","","","","has coordinates,has disorder","182655","2020-10-21","18:00:00",""
"7224582","10.2312","0.001","11.0797","0.0012","16.1049","0.001","95.135","0.007","92.045","0.006","113.333","0.01","1664.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Mg1.5 N2 O12 -","- C33 H31 Mg1.5 N2 O12 -","- C66 H62 Mg3 N4 O24 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0744","0.0514","","","0.1158","0.1292","","","","","","1.016","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224583","11.6875","0.0012","12.7337","0.001","16.6287","0.0007","107.084","0.006","106.16","0.007","98.287","0.008","2202.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Mg1.5 N2 O11 -","- C35 H33 Mg1.5 N2 O11 -","- C70 H66 Mg3 N4 O22 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0965","0.0671","","","0.1896","0.2108","","","","","","1.013","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224584","14.6854","0.0004","17.3507","0.0007","17.565","0.0008","71.291","0.004","75.262","0.003","66.322","0.003","3841.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 Ca2.5 N2 O21 -","- C72 H70 Ca2.5 N2 O21 -","- C144 H140 Ca5 N4 O42 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0835","0.0555","","","0.1526","0.1678","","","","","","1.028","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224585","16.1122","0.0008","19.1301","0.0006","19.9491","0.0006","113.359","0.003","103.862","0.004","91.934","0.003","5423","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H85 Ca3 N3 O23 -","- C78 H85 Ca3 N3 O23 -","- C156 H170 Ca6 N6 O46 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.1331","0.0889","","","0.2663","0.3045","","","","","","1.004","","","","has coordinates,has disorder","182649","2020-10-21","18:00:00",""
"7224586","7.9089","0.0004","11.4057","0.0006","12.6968","0.0006","65.743","0.002","77.931","0.002","85.251","0.002","1021.13","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1","","- C21 H16 N2 O6 Pb S -","- C21 H16 N2 O6 Pb S -","- C42 H32 N4 O12 Pb2 S2 -","2","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.0175","0.0167","","","0.0407","0.041","","","","","","1.067","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224587","47.233","0.006","11.4571","0.0017","25.455","0.004","90","","119.856","0.007","90","","11947","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C62 H62 N10 O14 S2 Zn2 -","- C62 H62 N10 O14 S2 Zn2 -","- C496 H496 N80 O112 S16 Zn16 -","8","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.1626","0.111","","","0.2781","0.3087","","","","","","1.089","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224588","21.368","0.0011","14.5156","0.0009","18.5708","0.0009","90","","105.412","0.005","90","","5553","0.5","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cp1","","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C232 H192 Cl8 Cu8 N24 O8 P8 S8 -","4","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","0.71073","MoKα","","0.075","0.055","","","0.17","0.183","","","","","","1.117","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224589","14.862","0.0003","9.93191","0.00019","18.7016","0.0004","90","","99.793","0.002","90","","2720.28","0.1","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","CuCl 542","","- C29 H24 Cl Cu N3 O P S -","- C29 H24 Cl Cu N3 O P S -","- C116 H96 Cl4 Cu4 N12 O4 P4 S4 -","4","1","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0669","0.0378","","","0.0852","0.1325","","","","","","1.142","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224590","8.6008","0.0002","11.9216","0.0004","13.5031","0.0004","98.28","0.003","90.093","0.002","94.468","0.002","1365.83","0.07","173","","173","","","","","","","","","8","P -1","-P 1","2","","CuCl 556","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.032","0.0279","","","0.0731","0.0758","","","","","","1.045","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224591","8.6337","0.0006","13.7145","0.001","14.4014","0.0012","70.112","0.007","83.697","0.006","71.99","0.006","1524.9","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp3","","","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0517","0.0427","","","0.1074","0.114","","","","","","0.998","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224592","8.5296","0.0009","13.6245","0.0018","14.4843","0.0017","69.313","0.011","83.252","0.009","72.076","0.01","1498.2","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp2","","","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0994","0.0653","","","0.1665","0.1845","","","","","","1.088","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224603","10.2549","0.0012","11.3783","0.0013","16.1872","0.0018","72.094","0.003","76.795","0.003","86.411","0.003","1749.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H54 N4 O18 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","1","0.5","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1102","0.0656","","","0.1625","0.1907","","","","","","0.98","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224604","16.1582","0.0011","15.99","0.001","16.2334","0.001","90","","90.681","0.002","90","","4193.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N3 Ni2 O15 Si -","- C37 H23 N3 Ni2 O15.296 Si -","- C148 H92 N12 Ni8 O61.184 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0679","0.0524","","","0.1604","0.175","","","","","","0.955","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224605","10.4707","0.0009","24.487","0.002","17.3547","0.0016","90","","91.331","0.002","90","","4448.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Co2 N O13 Si -","- C31 H23 Co2 N O13 Si -","- C124 H92 Co8 N4 O52 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0745","0.0501","","","0.1282","0.1376","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224606","12.2029","0.0013","13.6985","0.0016","14.853","0.0017","104.571","0.002","107.562","0.002","102.41","0.002","2174.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H24 Co2 N3 O11.5 Si -","- C43 H24 Co2 N3 O11.5 Si -","- C86 H48 Co4 N6 O23 Si2 -","2","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1022","0.0736","","","0.228","0.255","","","","","","1.055","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224607","16.5492","0.0019","14.8523","0.0015","17.7313","0.0018","90","","112.758","0.002","90","","4018.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N3 O10 Si Zn2 -","- C36 H27 N3 O10 Si Zn2 -","- C144 H108 N12 O40 Si4 Zn8 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0866","0.064","","","0.2043","0.2227","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224608","28.9402","0.0009","4.8707","0.0002","17.3118","0.0006","90","","107.785","0.002","90","","2323.63","0.15","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C104 H128 N8 O16 -","4","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.0568","0.0528","","","0.1502","0.1521","","","","","","1.213","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224609","18.8248","0.001","4.6921","0.0003","21.4035","0.0011","90","","100.903","0.003","90","","1856.4","0.18","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 -","- C42 H64 N2 O4 -","- C84 H128 N4 O8 -","2","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.068","0.0446","","","0.11","0.1234","","","","","","1.013","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224610","10.5851","0.0004","10.7883","0.0005","12.8727","0.0008","73.878","0.002","67.677","0.002","81.16","0.002","1304.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0278","0.0234","","","0.0549","0.0559","","","","","","1.088","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224611","10.7673","0.0009","11.0209","0.001","13.0918","0.0011","105.064","0.002","94.854","0.003","93.847","0.003","1488.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[(mu-9,10-anthracenedicarboxylato-k2O,O':k2O'',O''')(mu4-9,10-anthracenedicarboxylato-kO:kO':kO'':kO''')(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')tetra(dimethylformamide)didysprosium(III)]","","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0783","0.0519","","","0.1016","0.1082","","","","","","1.021","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224612","24.5907","0.0008","17.8811","0.0008","25.0765","0.0009","90","","104.335","0.002","90","","10683","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(mu4-5-cyanide-1,3-dicarboxylato-kO:kO':kO'':kO''')bis(mu3-5-cyanide-1,3-dicarboxylato-kO:kO':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C39 H37 Dy2 N7 O16 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","1","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0328","0.0251","","","0.0591","0.0614","","","","","","1.053","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224613","27.5538","0.0005","27.5538","0.0005","22.0582","0.0005","90","","90","","120","","14503.2","0.5","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C36 H176 N9 Na9 O223 Se6 Sn6 W54 -","- C36 N9 Na3 O222 Se6 Sn6 W54 -","- C72 N18 Na6 O444 Se12 Sn12 W108 -","2","0.333333","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−","CrystEngComm","2016","18","16","2820","","10.1039/C6CE00377J","","","0.71073","MoKα","","0.0426","0.0365","","","0.0877","0.0904","","","","","","1.016","","","","has coordinates","182651","2020-10-21","18:00:00",""
"7224614","7.7346","0.0007","14.8899","0.0013","23.801","0.002","90","","94.674","0.009","90","","2732","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.085","0.0531","","","0.0963","0.1089","","","","","","1.054","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224615","7.7581","0.0014","15.139","0.003","23.695","0.006","90","","93.796","0.018","90","","2776.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.1048","0.0611","","","0.106","0.1217","","","","","","1.044","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224616","7.9867","0.0004","14.6323","0.0006","28.1005","0.0015","90","","93.36","0.005","90","","3278.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0709","0.0603","","","0.1497","0.1599","","","","","","1.066","","","","has coordinates","181618","2020-10-21","18:00:00",""
"7224617","8.0689","0.0004","14.7987","0.0006","28.0208","0.0012","90","","92.552","0.004","90","","3342.6","0.3","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0745","0.0591","","","0.1481","0.1636","","","","","","1.04","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224618","8.6431","0.0003","12.538","0.0005","16.8933","0.0007","100.234","0.003","97.965","0.003","101.09","0.003","1739.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)bis-(1,2-dichloroethane) solvate","","- C34 H24 Cl4 Fe N10 S2 -","- C34 H24 Cl4 Fe N10 S2 -","- C68 H48 Cl8 Fe2 N20 S4 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0496","0.042","","","0.1074","0.1125","","","","","","1.037","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224619","13.329","0.0009","16.1844","0.0009","17.3536","0.0008","90","","110.324","0.007","90","","3510.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0462","0.0375","","","0.0896","0.0953","","","","","","1.018","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224620","13.526","0.0006","16.3143","0.0006","17.8163","0.0008","90","","110.291","0.005","90","","3687.5","0.3","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0733","0.0464","","","0.1117","0.128","","","","","","1.01","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224621","24.6343","0.0009","21.2193","0.0004","18.1944","0.0005","90","","104.239","0.003","90","","9218.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate","","- C54 H30 Cl2 Fe N12 O8 -","- C54 H30 Cl2 Fe N12 O8 -","- C432 H240 Cl16 Fe8 N96 O64 -","8","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.6998","synchrotron","","0.0856","0.0637","","","0.1646","0.1819","","","","","","1.024","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224622","9.7973","0.0002","23.8139","0.0008","27.5891","0.0006","95.037","0.002","98.452","0.002","93.612","0.002","6323.5","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Tris[dipyrido[3,2-a:23-c]benzo[i]phenazine]iron(II) di-tetrafluoroborate hydrate tris-methanol solvate","","- C69 H50 B2 F8 Fe N12 O4 -","- C67.5 H42 B2 F8 Fe N12 O2.2 -","- C270 H168 B8 F32 Fe4 N48 O8.8 -","4","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.1237","0.0851","","","0.2313","0.2698","","","","","","1.036","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224623","13.3521","0.0004","16.1985","0.0005","17.4429","0.0004","90","","110.287","0.003","90","","3538.6","0.19","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0513","","","0.129","0.1445","","","","","","1.021","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224624","13.4396","0.0003","16.2494","0.0003","17.5932","0.0004","90","","110.306","0.002","90","","3603.32","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0491","","","0.1222","0.1389","","","","","","1.027","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224625","13.4781","0.0009","16.2943","0.0012","17.6998","0.0012","90","","110.31","0.008","90","","3645.5","0.5","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0923","0.0589","","","0.1517","0.186","","","","","","1.031","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224626","9.1639","0.0009","21.32","0.002","10.0007","0.001","90","","109.652","0.001","90","","1840.1","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21.18 N2 O2.59 -","- C22 H21.178 N2 O2.589 -","- C88 H84.712 N8 O10.356 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0522","0.0444","","","0.1025","0.1072","","","","","","1.083","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224627","8.2411","0.0001","14.0973","0.0002","16.1938","0.0002","90","","90","","90","","1881.35","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","1.54178","CuKα","","0.03","0.0291","","","0.071","0.0718","","","","","","1.06","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224628","8.3899","0.0007","8.3899","0.0007","27.226","0.002","90","","90","","90","","1916.4","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H10 N O2 S -","- C10 H10 N O2 S -","- C80 H80 N8 O16 S8 -","8","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0286","0.0271","","","0.0719","0.0729","","","","","","1.101","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224629","12.224","0.0003","13.6903","0.0003","14.0756","0.0009","90.71","0.006","105.688","0.007","90.843","0.006","2267.23","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Gd2 Na2 O67.07 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","1","0.5","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.0457","0.0443","","","0.1102","0.111","","","","","","1.12","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224630","16.504","0.004","23.227","0.003","38.406","0.007","73.798","0.012","80.363","0.016","85.658","0.015","13932","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H96 O195 S24 Tb8 -","- C168 H96 O195 S24 Tb8 -","- C336 H192 O390 S48 Tb16 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1324","0.0838","","","0.2125","0.2453","","","","","","0.823","","","","has coordinates","185201","2020-10-21","18:00:00",""
"7224631","11.9482","0.001","12.3059","0.0008","15.2457","0.0012","68.694","0.005","77.073","0.006","89.16","0.006","2030","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl2 O23 S4 -","- C29 H32 Cl2 O23 S4 -","- C58 H64 Cl4 O46 S8 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1462","0.0676","","","0.1521","0.176","","","","","","0.828","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224632","9.4916","0.0009","18.1887","0.0017","22.275","0.002","91.579","0.001","97.329","0.001","102.755","0.001","3713.8","0.6","173","2","173","2","","","","","","","No.","5","P -1","-P 1","2","pCF3DTDA","4-(4-trifluormethylphenyl)-1,2,3,5-dithiadiazolyl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C128 H64 F48 N32 S32 -","16","8","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.1396","0.054","","","0.093","0.1185","","","","","","0.973","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224633","11.4543","0.001","11.7399","0.001","13.948","0.0012","73.364","0.001","73.247","0.001","82.579","0.001","1718.6","0.3","263","2","263","2","","","101","","","","","6","P -1","-P 1","2","4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl triphenylstibine 2:1","2,7-bis[4-(trifluoromethyl)phenyl]-4/l4,5/l4,9/l4,10/l4-tetrathieto[1,2-a:3,4-a']bis[1,2,3,5]dithiadiazole triphenylstibine","","- C34 H23 F6 N4 S4 Sb -","- C34 H23 F6 N4 S4 Sb -","- C68 H46 F12 N8 S8 Sb2 -","2","1","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.0404","0.0313","","","0.0789","0.0864","","","","","","1.054","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224634","31.614","0.002","14.2436","0.0004","24.503","0.001","90","","124.645","0.007","90","","9077.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47 Br3 Cl2 N6 O3 -","- C43 H47 Br3 Cl2 N6 O3 -","- C344 H376 Br24 Cl16 N48 O24 -","8","1","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","0.71073","MoKα","","0.0733","0.0448","","","0.0817","0.0911","","","","","","1.02","","","","has coordinates,has disorder","185205","2020-10-21","18:00:00",""
"7224635","14.1389","0.0002","20.7594","0.0002","32.7591","0.0004","90","","100.665","0.001","90","","9449.2","0.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 N7 O3 -","- C46 H55.5 N6.5 O3 -","- C368 H444 N52 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0632","0.054","","","0.1496","0.1562","","","","","","1.037","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224636","17.3951","0.0003","26.2912","0.0004","27.8638","0.0005","90","","106.088","0.002","90","","12244.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H75 N7 O3 -","- C56 H75 N7 O3 -","- C448 H600 N56 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0754","0.0517","","","0.129","0.1392","","","","","","1.002","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224648","20.164","0.004","16.345","0.005","16.679","0.005","90","","90","","90","","5497","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C87 H72 La2 N2 O40 -","- C87 H72 La2 N2 O40 -","- C174 H144 La4 N4 O80 -","2","0.5","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.1004","0.0685","","","0.1849","0.2095","","","","","","1.037","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224649","20.052","0.007","16.35","0.004","16.623","0.004","90","","90","","90","","5450","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Lu N O20 -","- C44 H36 Lu N O20 -","- C176 H144 Lu4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.078","0.0584","","","0.1549","0.1698","","","","","","1.076","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224650","20.14","0.004","16.625","0.003","16.701","0.003","90","","90","","90","","5592","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Gd N O20 -","- C44 H36 Gd N O20 -","- C176 H144 Gd4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0453","0.0406","","","0.1076","0.1096","","","","","","1.096","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224651","20.285","0.004","16.776","0.003","16.805","0.003","90","","90","","90","","5718.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N O20 Pr -","- C44 H36 N O20 Pr -","- C176 H144 N4 O80 Pr4 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0689","0.0375","","","0.0856","0.0924","","","","","","0.858","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224652","9.4321","0.0019","23.555","0.005","16.669","0.003","90","","102.81","0.03","90","","3611.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H47 La2 O31 -","- C58 H47 La2 O31 -","- C116 H94 La4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0593","0.0497","","","0.1334","0.1475","","","","","","1.054","","","","has coordinates,has disorder","182657","2020-10-21","18:00:00",""
"7224653","9.4048","0.0019","23.598","0.005","16.683","0.003","90","","102.47","0.03","90","","3615.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 Ce2 O31 -","- C58 H48 Ce2 O31 -","- C116 H96 Ce4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0735","0.055","","","0.1364","0.1472","","","","","","0.981","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224654","9.333","0.0009","23.444","0.002","16.4638","0.0015","90","","103.628","0.001","90","","3500.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 O31 Pr2 -","- C58 H48 O31 Pr2 -","- C116 H96 O62 Pr4 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0513","0.0475","","","0.1284","0.1321","","","","","","1.055","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224655","9.3238","0.0019","23.424","0.005","16.73","0.003","90","","102.7","0.03","90","","3564.5","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H45 Nd2 O31 -","- C57 H45 Nd2 O31 -","- C114 H90 Nd4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0759","0.0558","","","0.1435","0.1784","","","","","","1.081","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224656","20.195","0.004","16.765","0.003","16.778","0.003","90","","90","","90","","5680.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Ce N O20 -","- C44 H36 Ce N O20 -","- C176 H144 Ce4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.036","0.0342","","","0.0972","0.0985","","","","","","1.05","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224657","20.169","0.004","16.722","0.003","16.759","0.003","90","","90","","90","","5652.2","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N Nd O20 -","- C44 H36 N Nd O20 -","- C176 H144 N4 Nd4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0456","0.04","","","0.1152","0.1181","","","","","","1.058","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224658","7.2055","0.0003","10.5292","0.0004","13.3705","0.0005","79.615","0.0014","75.18","0.0015","75.853","0.0015","943.38","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.025","","","0.0542","0.0574","","","","","","1.026","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224659","7.2017","0.0005","10.522","0.0007","13.3762","0.0009","79.622","0.003","75.172","0.003","75.896","0.003","942.78","0.11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C32 H40 Co0.24 N4 O24 Zn2.76 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0596","0.0384","","","0.0682","0.0743","","","","","","1.019","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224660","7.2538","0.0004","10.5659","0.001","13.3762","0.0009","79.593","0.007","75.556","0.005","75.382","0.007","953.04","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C32 H40 Co0.6 N4 O24 Zn2.4 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0392","0.0311","","","0.0738","0.0797","","","","","","1.029","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224661","7.2078","0.0003","10.5186","0.0004","13.3785","0.0005","79.506","0.0014","75.031","0.0015","75.782","0.0015","942.21","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.026","","","0.0547","0.0576","","","","","","1.062","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224662","28.2608","0.0003","17.9257","0.0003","10.2348","0.0001","90","","90","","90","","5184.89","0.11","310","2","310","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.486 N1.5 O3 -","- C192 H192 Cl35.888 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0894","0.0743","","","0.2093","0.2332","","","","","","1.065","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224663","28.2714","0.0003","17.9408","0.0002","10.2446","0.0001","90","","90","","90","","5196.18","0.09","315","2","315","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.4935 N1.5 O3 -","- C192 H192 Cl35.948 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0886","0.0775","","","0.2158","0.2301","","","","","","1.06","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224664","28.2869","0.0004","17.9428","0.0003","10.2513","0.0001","90","","90","","90","","5203.01","0.12","320","2","320","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.1013","0.085","","","0.2402","0.2619","","","","","","1.077","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224665","27.9771","0.001","17.8261","0.0007","10.0751","0.0003","90","","90","","90","","5024.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","0.71073","MoKα","","0.0565","0.04","","","0.0932","0.103","","","","","","1.024","","","","has coordinates","185234","2020-10-21","18:00:00",""
"7224692","14.0292","0.0009","5.0669","0.0004","14.7229","0.0011","90","","99.433","0.007","90","","1032.42","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.062","0.0567","","","0.1437","0.1476","","","","","","1.081","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224693","6.7362","0.0006","24.2039","0.0015","6.8686","0.0005","90","","112.293","0.009","90","","1036.17","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.0519","0.0411","","","0.0985","0.1073","","","","","","1.074","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224701","10.4247","0.0005","13.3796","0.0007","15.0146","0.0007","71.1","0.002","69.931","0.002","76.203","0.002","1841.79","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Ca2 Cd2 Cl8 N24 O25 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0461","0.0423","","","0.1188","0.1216","","","","","","1.039","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224702","10.694","0.019","13.459","0.023","15.1057","0.0027","99.314","0.028","107.545","0.018","105.669","0.018","1925","5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Cl8 N24 O32 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0782","0.0675","","","0.2033","0.2125","","","","","","1.076","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224703","15.676","0.003","17.177","0.004","20.2","0.004","92.786","0.003","105.91","0.003","116.818","0.003","4573.2","1.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H130 Ba2 Cd Cl6 N24 O51 -","- C44 H52 Ba2 Cd Cl6 N24 O19 -","- C88 H104 Ba4 Cd2 Cl12 N48 O38 -","2","1","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.1135","0.0594","","","0.1469","0.1651","","","","","","0.818","","","","has coordinates,has disorder","185204","2020-10-21","18:00:00",""
"7224724","5.947","0.003","8.068","0.008","13.411","0.005","90","","95.94","0.03","90","","640","0.8","296","2","296","2","350000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-dimethylbipyridinium dibromide","","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.097","0.0879","","","0.2298","0.24","","","","","","1.041","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224725","4.8986","0.0006","7.6614","0.001","7.989","0.0009","70.464","0.011","87.005","0.01","77.176","0.011","275.44","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","44'-bipyridine hydrobromide","","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0193","0.0184","","","0.0448","0.0451","","","","","","1.045","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224726","4.8839","0.0015","7.622","0.005","7.951","0.004","70.87","0.06","86.78","0.04","77.39","0.05","272.8","0.3","296","2","296","2","10000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.067","0.0623","","","0.1467","0.1523","","","","","","1.211","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224727","4.874","0.004","7.567","0.006","7.936","0.004","70.73","0.06","86.64","0.05","77.47","0.07","269.7","0.4","296","2","296","2","20000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0535","0.0487","","","0.1178","0.1238","","","","","","1.048","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224728","4.845","0.0011","7.453","0.002","7.875","0.005","70.89","0.04","86.82","0.04","77.82","0.02","262.6","0.2","296","2","296","2","50000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0427","0.0332","","","0.0656","0.0693","","","","","","1.438","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224729","4.8011","0.0017","7.275","0.004","7.759","0.005","71.06","0.06","86.46","0.05","78.64","0.04","251.3","0.3","296","2","296","2","100000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.082","0.0511","","","0.1094","0.1273","","","","","","1.006","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224730","10.33","0.0006","12.704","0.0007","12.798","0.0006","102.776","0.002","99.919","0.002","108.779","0.002","1495.87","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71069","MoKα","","0.0226","0.0226","","","0.0402","0.0402","","","","","","0.987","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224731","7.031","0.005","14.975","0.005","13.892","0.005","90","","96.408","0.005","90","","1453.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0239","0.0239","","","0.0331","0.0331","","","","","","0.543","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224732","15.488","0.005","8.481","0.005","17.387","0.005","90","","112.763","0.005","90","","2106","1.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0211","0.0211","","","0.0323","0.0323","","","","","","0.474","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224733","10.7694","0.0003","8.461","0.0003","11.3742","0.0003","90","","91.626","0.001","90","","1036","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0193","0.0193","","","0.0298","0.0298","","","","","","0.517","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224734","15.3248","0.001","15.3248","0.001","23.354","0.003","90","","90","","90","","5484.7","0.9","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Br4 Cu2 N16 O2 -","- C100 H96 Br4 Cu2 N16 O2 -","- C200 H192 Br8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0933","","","","0.1855","","","","","","1.18","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224735","15.2312","0.0008","15.2312","0.0008","23.338","0.002","90","","90","","90","","5414.2","0.6","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Cl4 Cu2 N16 O2 -","- C100 H96 Cl4 Cu2 N16 O2 -","- C200 H192 Cl8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0783","","","","0.1696","","","","","","1.051","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224736","16.918","0.002","16.918","0.002","32.534","0.005","90","","90","","90","","9312","2","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Br2 Cu2 N16 O5 S -","- C100 H96 Br2 Cu2 N16 O5 S -","- C400 H384 Br8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","0.0974","0.0755","","","0.1341","0.1442","","","","","","1.073","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224737","16.689","0.004","16.689","0.004","32.737","0.008","90","","90","","90","","9118","4","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Cl2 Cu2 N16 O5 S -","- C100 H96 Cl2 Cu2 N16 O5 S -","- C400 H384 Cl8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.71075","MoKα","","","0.1463","","","","0.3398","","","","","","1.387","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224738","4.804","0.0003","9.8809","0.0007","10.0661","0.0009","75.987","0.001","81.807","0.002","79.391","0.001","453.26","0.06","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0986","0.0702","","","0.1731","0.1891","","","","","","1.0052","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224739","11.0031","0.0009","11.2217","0.0011","11.6959","0.0011","69.193","0.001","79.676","0.001","81.008","0.002","1321.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","1.54178","CuKα","","0.1899","0.0947","","","0.1871","0.2865","","","","","","1.032","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224740","23.432","0.002","9.5422","0.0008","18.9958","0.0017","90","","125.964","0.002","90","","3437.7","0.5","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 O10 Zn -","- C32 H40 N4 O10 Zn -","- C128 H160 N16 O40 Zn4 -","4","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0842","0.0448","","","0.0941","0.1147","","","","","","1.009","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224741","10.4929","0.0013","11.1254","0.0012","16.981","0.002","90.561","0.006","96.469","0.007","99.986","0.006","1939","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PITE2","PITE2","","- C51 H51 N O -","- C51 H51 N O -","- C102 H102 N2 O2 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1148","0.058","","","0.1505","0.182","","","","","","1.001","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224742","9.1338","0.0002","13.6605","0.0002","16.0445","0.0003","90.823","0.001","91.397","0.001","101.432","0.001","1961.23","0.06","140","2","140","2","","","","","","","","3","P -1","-P 1","2","PITE1","PITE1","","- C51 H52 N2 -","- C51 H52 N2 -","- C102 H104 N4 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1221","0.0577","","","0.1193","0.148","","","","","","1.048","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224771","33.193","0.003","6.8956","0.0006","21.9291","0.0019","90","","114.468","0.002","90","","4568.5","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co N4 O8 -","- C58 H40 Co N4 O8 -","- C232 H160 Co4 N16 O32 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1471","0.0757","","","0.1402","0.1589","","","","","","1.045","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224772","32.836","0.003","14.4409","0.0013","14.228","0.0012","90","","101.308","0.002","90","","6615.7","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Co2 N10 O8 -","- C80 H58 Co2 N10 O8 -","- C320 H232 Co8 N40 O32 -","4","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1692","0.0774","","","0.1816","0.2048","","","","","","1.03","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224773","32.8","0.003","12.586","0.0011","16.0471","0.0014","90","","116.928","0.003","90","","5906.3","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H52 Co2 N12 O10 -","- C70 H52 Co2 N12 O10 -","- C280 H208 Co8 N48 O40 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.0844","0.0492","","","0.1045","0.1122","","","","","","1.066","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224774","27.805","0.003","9.381","0.0009","24.923","0.002","90","","114.715","0.003","90","","5905.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N3 O5 -","- C30 H26 Co N2.9995 O4.9995 -","- C240 H208 Co8 N23.996 O39.996 -","8","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1123","0.0603","","","0.1627","0.1935","","","","","","1.033","","","","has coordinates,has disorder","182650","2020-10-21","18:00:00",""
"7224775","5.3407","0.0004","10.8805","0.0009","20.8512","0.0012","93.153","0.006","94.366","0.006","99.411","0.007","1189.07","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N O5 S6 -","- C19 H19 N O5 S6 -","- C38 H38 N2 O10 S12 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1072","0.0792","","","0.1747","0.1959","","","","","","1.047","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224776","9.7149","0.0006","13.5293","0.0006","21.8111","0.0009","78.118","0.004","83.149","0.004","86.593","0.004","2783.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O8 S12 -","- C46 H9 N2 O8 S12 -","- C92 H18 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1531","0.0976","","","0.1636","0.1885","","","","","","1.014","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224777","9.6659","0.0006","13.4126","0.0007","25.3171","0.0017","76.598","0.005","79.897","0.005","86.413","0.005","3142.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 N2 O8 S12 -","- C53 H18.92 N2 O8 S12 -","- C106 H37.84 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.126","0.0904","","","0.1706","0.1864","","","","","","1.153","","","","has coordinates,has disorder","182653","2020-10-21","18:00:00",""
"7224779","24.513","0.005","18.922","0.004","17.238","0.003","90","","119.74","0.03","90","","6942","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cu N4 O4 -","- C20 H15 Cu N4 O4 -","- C320 H240 Cu16 N64 O64 -","16","2","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.073","0.0447","","","0.117","0.133","","","","","","0.954","","","","has coordinates","182637","2020-10-21","18:00:00",""
"7224780","7.3598","0.0015","14.818","0.003","26.434","0.005","90","","94.94","0.03","90","","2872.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Mo8 N8 O35 -","- C40 H38 Mo8 N8 O35 -","- C80 H76 Mo16 N16 O70 -","2","0.5","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.0623","0.0417","","","0.0957","0.1024","","","","","","0.945","","","","has coordinates,has disorder","182637","2020-10-21","18:00:00",""
"7224785","22.5563","0.001","17.1001","0.001","11.3279","0.001","90","","108.512","0.01","90","","4143.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Ag F6 N4 O0 Sb -","- C17 H15 Ag F6 N4 Sb -","- C136 H120 Ag8 F48 N32 Sb8 -","8","1","","Jiang, Ji-Jun; Li, Xiang-Ping; Zhang, Xue-Li; Kang, Bei-Sheng; Su, Cheng-Yong","A new Ag(I)-4,4'-bipyridine coordination polymer of honeycomb (6,3) networks containing a Ag~6~(4,4'-bipy)~6~ hexagonal ring of 17 ×26 Å dimensions","CrystEngComm","2005","7","99","603","607","10.1039/b512098e","","","0.71073","MoKα","","0.1841","0.0724","","","0.1153","0.1439","","","","","","1.008","","","","has coordinates","180919","2020-10-21","18:00:00",""
"7224786","7.081","0.002","8.559","0.002","9.604","0.003","67","0.02","81.82","0.02","71.19","0.02","507.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1535","0.0905","","","0.2311","0.3014","","","","","","1.089","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224787","7.0242","0.0016","8.496","0.002","9.475","0.002","66.75","0.02","81.96","0.02","71.38","0.02","492.3","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.141","0.0957","","","0.253","0.31","","","","","","1.119","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224788","7.0048","0.0007","8.453","0.003","9.3834","0.0012","66.49","0.02","81.84","0.009","71.705","0.018","483.6","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0833","0.0571","","","0.1414","0.1608","","","","","","1.155","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224789","6.926","0.003","8.343","0.004","9.223","0.004","66.57","0.05","81.99","0.04","72.07","0.05","465.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.56085","AgKα","","0.2012","0.1112","","","0.282","0.3637","","","","","","1.081","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224790","9.977","0.007","7.1746","0.0003","12.7576","0.0006","90","","93.545","0.013","90","","911.5","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1064","0.0501","","","0.1296","0.1788","","","","","","1.034","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224791","9.96","0.012","7.1574","0.001","12.579","0.0008","90","","93.71","0.02","90","","894.8","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1198","0.0644","","","0.1532","0.205","","","","","","1.06","","","","has coordinates,has disorder","182633","2020-10-21","18:00:00",""
"7224792","10.11","0.006","7.1","0.0007","6.6984","0.001","114.72","0.012","94.61","0.02","90.202","0.019","435","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0834","0.0631","","","0.1619","0.1812","","","","","","1.122","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224793","10.037","0.002","7.0477","0.001","6.6292","0.001","115.381","0.014","94.711","0.014","90.103","0.014","421.88","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0925","0.0612","","","0.1529","0.1813","","","","","","1.059","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224794","10.007","0.003","7.0202","0.0014","6.5889","0.0012","115.903","0.019","94.821","0.018","90.068","0.019","414.53","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0896","0.0525","","","0.1324","0.1587","","","","","","1.065","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224795","10.027","0.01","7.0054","0.0013","6.5581","0.0012","116.173","0.019","94.86","0.03","90.02","0.04","411.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1133","0.0757","","","0.196","0.2366","","","","","","1.126","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224796","23.245","0.003","9.9259","0.0012","17.277","0.002","90","","106.81","0.002","90","","3815.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O5 S Zn -","- C18 H14 N4 O5 S Zn -","- C144 H112 N32 O40 S8 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0238","0.0218","","","0.0506","0.0515","","","","","","0.986","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224797","8.7117","0.0012","11.0488","0.0016","13.293","0.0019","69.79","0.004","77.976","0.004","71.66","0.004","1132.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C48 H32 N8 O8 Zn2 -","2","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0595","0.0594","","","0.1421","0.1421","","","","","","0.991","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224798","24.568","0.005","10.146","0.002","17.994","0.003","90","","111.863","0.006","90","","4162.7","1.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N5 O5 Zn -","- C22 H10 N5 O5 Zn -","- C176 H80 N40 O40 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0791","0.0662","","","0.1743","0.1869","","","","","","1.045","","","","has coordinates,has disorder","185279","2020-10-21","18:00:00",""
"7224799","10.6476","0.0013","19.578","0.002","15.1746","0.0017","90","","107.808","0.004","90","","3011.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl2 N12 O20 Zn3 -","- C50 H46 Cl2 N12 O20 Zn3 -","- C100 H92 Cl4 N24 O40 Zn6 -","2","0.5","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0416","0.0374","","","0.0821","0.084","","","","","","1.164","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224800","4.3542","0.0003","7.3675","0.0006","8.714","0.0006","72.481","0.007","83.722","0.006","84.917","0.006","264.52","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C8 H6 Br4 -","1","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0266","0.0217","","","0.0489","0.0511","","","","","","1.067","","","","has coordinates","182660","2020-10-21","18:00:00",""
"7224801","6.6114","0.0005","8.7776","0.0006","9.1807","0.0006","90","","104.041","0.007","90","","516.86","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0478","0.0247","","","0.0404","0.0416","","","","","","0.874","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7224802","11.447","0.004","5.0219","0.0009","15.967","0.003","90","","91.41","0.02","90","","917.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C32 H32 N16 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","1.54184","CuKα","","0.0878","0.0581","","","0.1533","0.1751","","","","","","1.04","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224803","5.6677","0.0012","14.228","0.003","10.921","0.002","90","","100.939","0.004","90","","864.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N5 S -","- C7 H7 N5 S -","- C28 H28 N20 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.053","0.0395","","","0.1045","0.1126","","","","","","1.058","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224804","21.6688","0.0014","11.3368","0.0017","8.2128","0.0005","90","","107.851","0.006","90","","1920.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Hg N8 S2 -","- C16 H14 Hg N8 S2 -","- C64 H56 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0973","0.0366","","","0.0804","0.0929","","","","","","1.018","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224805","7.7077","0.0006","16.2385","0.0014","18.9449","0.0014","80.783","0.009","86.817","0.009","86.277","0.008","2333.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br2 Hg N8 O S2 -","- C16 H16 Br2 Hg N8 O S2 -","- C64 H64 Br8 Hg4 N32 O4 S8 -","4","2","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2689","0.0675","","","0.1742","0.2457","","","","","","0.962","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224806","9.726","0.002","10.608","0.002","12.611","0.003","104.613","0.004","109.647","0.004","95.734","0.004","1161.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","1","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0439","0.0291","","","0.0614","0.0665","","","","","","0.978","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224807","13.282","0.002","18.98","0.004","8.27","0.003","90","","90.328","0.008","90","","2084.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Hg N8 S2 -","- C18 H18 Hg N8 S2 -","- C72 H72 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2068","0.0534","","","0.1015","0.1321","","","","","","0.945","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224808","7.1597","0.0002","6.3074","0.0002","38.1938","0.001","90","","90","","90","","1724.8","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Hg N10 S2 -","- C14 H12 Hg N10 S2 -","- C56 H48 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0302","0.0274","","","0.054","0.0547","","","","","","1.2","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224809","14.646","0.016","10.045","0.011","15.852","0.017","90","","116.057","0.016","90","","2095","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Hg N10 S2 -","- C16 H16 Hg N10 S2 -","- C64 H64 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0529","0.0306","","","0.0597","0.0651","","","","","","1.055","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224810","29.9017","0.0019","29.9017","0.0019","96.281","0.006","90","","90","","120","","74553","8","100","","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C35.54 H40.21 O10.3 -","- C35.519 H40.1572 O10.2964 -","- C2557.37 H2891.32 O741.342 -","72","4","","Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L.","Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene","CrystEngComm","2016","18","17","3015","","10.1039/C6CE00698A","","","0.71073","MoKα","","0.0846","0.0577","","","0.1501","0.1653","","","","","","1.038","","","","has coordinates,has disorder","203909","2020-10-21","18:00:00",""
"7224841","11.18176","0.00015","15.2528","0.0002","19.3375","0.0003","90","","90.2091","0.0012","90","","3298.05","0.08","150","","150","","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","[HHTP.TBA.Cl]n","","- C68 H96 Cl2 N2 O12 -","- C68 H96 Cl2 N2 O12 -","- C136 H192 Cl4 N4 O24 -","2","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0416","0.0403","","0.1067","0.1055","0.1067","","","","","","0.9297","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224842","21.6122","0.0005","16.4917","0.0003","21.8385","0.0005","90","","117.021","0.003","90","","6934","0.3","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.I]n","","- C68 H97 I2 N2 O12.5 -","- C68 H97 I2 N2 O12.5 -","- C272 H388 I8 N8 O50 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0542","0.0412","","0.0902","0.0825","0.0902","","","","","","0.9705","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224843","12.7893","0.0003","16.0254","0.0004","17.4075","0.0004","90","","93.462","0.002","90","","3561.22","0.15","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.H2PO4]n","","- C35 H54 N O11 P -","- C35 H54 N O11 P -","- C140 H216 N4 O44 P4 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0692","0.0489","","0.1219","0.1056","0.1219","","","","","","0.9473","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224844","13.0411","0.0002","16.2078","0.0003","16.6185","0.0002","90","","90.0656","0.0014","90","","3512.61","0.09","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.OAc]n","","- C37 H55 N O9 -","- C37 H55 N O9 -","- C148 H220 N4 O36 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0817","0.0771","","0.2184","0.2146","0.2184","","","","","","0.9951","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224845","20.01455","0.00017","15.41266","0.00017","22.3318","0.00014","90","","90.0507","0.0007","90","","6888.85","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.MeOSO3]n","","- C70 H102 N2 O20 S2 -","- C70 H102 N2 O20 S2 -","- C280 H408 N8 O80 S8 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0491","0.0469","","0.1294","0.1266","0.1294","","","","","","0.968","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224846","11.298","0.0002","15.7065","0.0004","17.8505","0.0004","90","","90.914","0.002","90","","3167.2","0.12","150","","150","","","","","","","","syntheszied","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TEA.Cl]n","","- C30 H42 Cl N O7 -","- C30 H42 Cl N O7 -","- C120 H168 Cl4 N4 O28 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.1109","0.0951","","0.2305","0.2252","0.2305","","","","","","0.9826","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224847","24.271","0.002","14.1584","0.0014","9.641","0.0009","90","","98.97","0.009","90","","3272.5","0.5","180.01","0.1","180.01","0.1","","","","","","","none","6","C 1 2 1","C 2y","5","CuI(ph-dppb)2","","","- C73 H58 Cl2 Cu2 I2 P4 -","- C73 H58 Cl2 Cu2 I2 P4 -","- C146 H116 Cl4 Cu4 I4 P8 -","2","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0828","0.0558","","","0.1079","0.1248","","","","","","1.034","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224848","19.5414","0.0011","14.573","0.0006","26.9535","0.0014","90","","113.268","0.007","90","","7051.4","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(μ-I)OMe-dppb]2","4,5-dimethoxyl-1,2-bis(diphenylphosphino) benzene","","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C268 H248 Cl24 Cu8 I8 O16 P16 -","4","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0681","0.0429","","","0.09","0.1039","","","","","","1.023","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224849","13.6302","0.0006","13.8186","0.0005","18.0831","0.0007","110.055","0.003","104.744","0.003","97.913","0.003","2997.7","0.2","100.1","0.2","100.1","0.2","","","","","","","","6","P -1","-P 1","2","[Cu(μ-I)Pr-dppb]2","4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine","","- C68 H54 Cu2 I2 N2 P4 -","- C68 H54 Cu2 I2 N2 P4 -","- C136 H108 Cu4 I4 N4 P8 -","2","1","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0598","0.0367","","","0.0655","0.0786","","","","","","1.0742","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224863","10.7414","0.0006","11.2551","0.0006","16.1946","0.0008","84.01","0.003","77.531","0.003","69.651","0.003","1791.45","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N4 O6 -","- C46 H38 N4 O6 -","- C92 H76 N8 O12 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0686","0.0523","","","0.1322","0.1431","","","","","","1.019","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224864","13.8522","0.0015","15.6089","0.0016","15.8464","0.0015","65.532","0.003","83.496","0.003","89.872","0.003","3094.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H60 N4 O4 -","- C92 H60 N4 O4 -","- C184 H120 N8 O8 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0874","0.0604","","","0.1476","0.1637","","","","","","1.017","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224865","13.5292","0.0005","20.5192","0.0006","11.5369","0.0004","90","","107.657","0.001","90","","3051.86","0.18","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 N3 O2 -","- C43 H30 N3 O2 -","- C172 H120 N12 O8 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0548","0.0429","","","0.1073","0.1148","","","","","","1.044","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224866","11.44","0.0007","20.592","0.0012","14.745","0.0009","90","","110.377","0.003","90","","3256.1","0.3","110","2","110","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C94 H64 N6 O4 -","- C94 H64 N6 O4 -","- C188 H128 N12 O8 -","2","0.25","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0657","0.0481","","","0.1204","0.1333","","","","","","1.032","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224867","16.1034","0.0006","23.3602","0.0009","15.3638","0.0005","90","","113.178","0.002","90","","5313","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66.7 H54.8 N6 O6.7 -","- C65 H48 N6 O5 -","- C260 H192 N24 O20 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0947","0.0613","","","0.1582","0.1785","","","","","","1.015","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224868","32.937","0.004","6.2835","0.0005","29.547","0.003","90","","119.674","0.004","90","","5313.1","1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H62 N6 O9.5 -","- C56 H40 N6 O4 -","- C224 H160 N24 O16 -","4","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.1047","0.0645","","","0.1667","0.1813","","","","","","0.965","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224869","6.0722","0.0005","15.4167","0.0016","16.9383","0.0018","88.096","0.004","86.696","0.004","85.177","0.004","1576.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","1","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0564","0.043","","","0.1042","0.1126","","","","","","1.028","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224870","11.5191","0.0006","8.0183","0.0005","12.9595","0.0008","90","","100.259","0.003","90","","1177.85","0.12","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Ce O7 -","- C9 H11 Ce O7 -","- C36 H44 Ce4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0453","0.0465","","","","1.3","1.3","1.24","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224871","11.5115","0.0003","7.9773","0.0002","13.0081","0.0003","90","","100.209","0.001","90","","1175.63","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Pr -","- C9 H11 O7 Pr -","- C36 H44 O28 Pr4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0728","0.0438","","","0.0514","0.0529","","","","2.37","2.37","2.02","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224872","11.4812","0.0002","7.9164","0.0001","12.9995","0.0003","90","","100.355","0.002","90","","1162.28","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O7 -","- C9 H11 Nd O7 -","- C36 H44 Nd4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0826","0.0541","","","0.0621","0.0679","","","","1.19","1.19","1.1","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224873","11.4339","0.0001","7.8472","0.0001","13.0074","0.0002","90","","100.188","0.0006","90","","1148.67","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Sm -","- C9 H11 O7 Sm -","- C36 H44 O28 Sm4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0309","0.0198","","","0.024","0.0315","","","","1.29","1.29","1.52","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224874","11.4283","0.0006","7.8226","0.0004","13.0064","0.0006","90","","100.148","0.002","90","","1144.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Eu O7 -","- C9 H11 Eu O7 -","- C36 H44 Eu4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0719","0.0418","","","0.0431","0.0448","","","","2.41","2.41","2.08","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224875","11.3797","0.0006","7.7495","0.0004","12.9729","0.0006","90","","99.988","0.002","90","","1126.7","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Tb -","- C9 H11 O7 Tb -","- C36 H44 O28 Tb4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0297","0.0208","","","0.0249","0.0259","","","","1.4","1.4","1.3","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224876","11.407","0.003","7.7149","0.0016","12.942","0.003","90","","99.966","0.01","90","","1121.8","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Dy O7 -","- C9 H11 Dy O7 -","- C36 H44 Dy4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0434","0.0305","","","0.0347","0.0364","","","","1.15","1.15","1.09","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224895","7.4418","0.0005","10.0193","0.0009","12.2838","0.001","90.054","0.005","99.653","0.005","104","0.004","875.29","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O7 U -","- C16 H18 N2 O7 U -","- C32 H36 N4 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0277","0.0217","","","0.0414","0.0424","","","","","","1.02","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224896","7.4929","0.0006","11.4014","0.0006","21.3247","0.0018","90","","90","","90","","1821.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 U -","- C19 H18 N2 O6 U -","- C76 H72 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0326","0.0297","","","0.0845","0.0857","","","","","","1.086","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224897","6.8419","0.0003","14.9035","0.001","18.3664","0.0012","90","","97.677","0.004","90","","1856","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 U -","- C18 H20 N2 O6 U -","- C72 H80 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0377","0.0294","","","0.0709","0.0731","","","","","","1.128","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224898","8.9926","0.0005","10.1782","0.0006","12.334","0.0008","74.294","0.003","69.809","0.004","75.184","0.004","1003.39","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C42 H44 N4 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0309","0.0243","","","0.0549","0.0563","","","","","","1.001","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224899","9.2082","0.0006","13.2399","0.0012","18.1132","0.0014","73.667","0.004","78.133","0.004","83.081","0.005","2069.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C84 H88 N8 O24 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0672","0.0418","","","0.0914","0.0982","","","","","","1.044","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224900","9.1158","0.0004","19.5111","0.0011","19.6788","0.0008","103.432","0.004","92.911","0.003","94.315","0.004","3386.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O11 U2 -","- C33 H30 N4 O11 U2 -","- C132 H120 N16 O44 U8 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0705","0.0383","","","0.0583","0.0644","","","","","","0.936","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224901","7.7422","0.0004","16.7494","0.0007","18.1092","0.0008","90","","97.207","0.003","90","","2329.8","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O6 U -","- C23 H30 N2 O6 U -","- C92 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0429","0.0344","","","0.0914","0.0955","","","","","","1.038","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224902","8.0731","0.0004","17.3445","0.0006","17.4005","0.0007","90","","92.994","0.003","90","","2433.16","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O6 U -","- C25 H30 N2 O6 U -","- C100 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0767","0.0628","","","0.1733","0.1822","","","","","","1.059","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224903","11.786","0.002","11.786","","29.019","0.006","90","","90","","90","","4031","1.1","298","2","298","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C56 H78 Cl12 N28 Ni8 O6 -","- C56 H78 Cl12 N28 Ni8 O6 -","- C112 H156 Cl24 N56 Ni16 O12 -","2","0.125","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.0486","0.0354","","","0.0852","0.093","","","","","","1.034","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224904","21.043","0.006","22.205","0.007","17.844","0.005","90","","90","","90","","8338","4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Br12 N26 Ni8 O6 -","- C48 H62 Br12 N26 Ni8 O6 -","- C192 H248 Br48 N104 Ni32 O24 -","4","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.173","0.0898","","","0.2218","0.2527","","","","","","1.017","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224905","11.998","0.007","26.923","0.016","19.114","0.009","90","","116.81","0.03","90","","5511","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I12 N24 Ni8 O6 -","- C36 H30 I12 N24 Ni8 O6 -","- C72 H60 I24 N48 Ni16 O12 -","2","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71","MoKα","","0.1724","0.0997","","","0.2155","0.2408","","","","","","0.71","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224906","10.2928","0.0013","20.805","0.003","21.558","0.003","90","","90","","90","","4616.5","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H17 Eu N2 O8 -","- C27 H17 Eu N2 O8 -","- C216 H136 Eu8 N16 O64 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Du, Xi; Wang, Ping; Yang, Yulin","Assembly of one-, two-, and three-dimensional Ln(iii) complexes constructed from a novel asymmetric tricarboxylic acid: synthesis, structure, photoluminescence and tunable white-light emission","CrystEngComm","2016","18","20","3711","","10.1039/C6CE00483K","","","0.71073","MoKα","","0.2005","0.0707","","","0.1571","0.2331","","","","","","1.043","","","","has coordinates","185233","2020-10-21","18:00:00",""
"7224907","12.6658","0.0006","15.8879","0.0007","22.143","0.001","89.449","0.004","93.013","0.004","107.919","0.004","4233.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H77 Cl3 N34 O35 -","- C57 H77 Cl3 N34 O34.869 -","- C114 H154 Cl6 N68 O69.738 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1208","0.1052","","","0.2891","0.3125","","","","","","1.192","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224908","12.528","0.0014","15.3546","0.0012","17.2965","0.0016","107.352","0.008","100.18","0.009","95.791","0.008","3083.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 Cl3 Mg N27 O27 -","- C43 H70 Cl3 Mg N27 O27 -","- C86 H140 Cl6 Mg2 N54 O54 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1056","0.0805","","","0.2113","0.2382","","","","","","0.92","","","","has coordinates","185200","2020-10-21","18:00:00",""
"7224909","15.8539","0.0003","19.7194","0.0003","26.8892","0.0005","98.389","0.002","94.251","0.002","109.497","0.002","7771.3","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Ca2 Cl5.5 N54 O77 -","- C86 H92 Ca2 Cl5.5 N54 O76.99 -","- C172 H184 Ca4 Cl11 N108 O153.98 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1141","0.1021","","","0.2879","0.301","","","","","","1.12","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224910","15.6491","0.001","20.9747","0.0018","35.1781","0.001","100.397","0.005","99.817","0.004","103.379","0.006","10773.6","1.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H140 Cl2 N76 O80 -","- C128 H140 Cl2 N76 O80.069 -","- C256 H280 Cl4 N152 O160.138 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.2609","0.1567","","","0.3754","0.4392","","","","","","1.114","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224922","23.22","0.001","24.47","0.02","32.46","0.001","90","","90","","90","","18444","15","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C89.9 H138.6 F6.6 N2 O9.2 -","- C89.9 H138.6 F6.6 N2 O9.2 -","- C719.2 H1108.8 F52.8 N16 O73.6 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.7","","","0.1831","0.1298","","","0.3666","0.4113","","","","","","1.437","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224923","23.45","0.01","23.02","0.01","32.88","0.02","90","","90","","90","","17749","15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H133 N2 O7 -","- C86 H133 N2 O7 -","- C688 H1064 N16 O56 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.6525","","","0.1338","0.1128","","","0.3043","0.3384","","","","","","1.063","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224924","12.5712","0.0012","10.2622","0.0009","18.6905","0.0018","90","","101.379","0.003","90","","2363.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetrabromocadmate(II) monohydrate","bis(quinolinium) tetrabromocadmate(II) monohydrate","","- C18 H20 Br4 Cd N2 O2 -","- C18 H20 Br4 Cd N2 O2 -","- C72 H80 Br16 Cd4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0692","0.0374","","","0.072","0.0806","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224925","16.448","0.002","13.1972","0.0014","12.5022","0.0014","90","","106.338","0.004","90","","2604.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrachloromercurate(ii) dihydrate","bis(phenazinium) tetrachloromercury(ii) dihydrate","","- C24 H22 Cl4 Hg N4 O2 -","- C24 H22 Cl4 Hg N4 O2 -","- C96 H88 Cl16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.099","0.0447","","","0.0586","0.0685","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224926","13.155","0.013","10.375","0.011","18.777","0.017","90","","93.87","0.03","90","","2557","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachloro-zinc(II)","bis(acridinium) tetrachloro-zinc(II)","","- C26 H20 Cl4 N2 Zn -","- C26 H20 Cl4 N2 Zn -","- C104 H80 Cl16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.2053","0.1423","","","0.2463","0.2719","","","","","","1.185","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224927","10.788","0.002","20.604","0.005","15.212","0.003","90","","96.743","0.003","90","","3357.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) diaqua-dibromo-zinc(II)","tris(acridine) diaqua-dibromo-zinc(II)","","- C39 H31 Br2 N3 O2 Zn -","- C39 H31 Br2 N3 O2 Zn -","- C156 H124 Br8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0564","0.0391","","","0.0954","0.0996","","","","","","0.993","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224928","13.1044","0.0013","10.2306","0.0009","19.0699","0.0019","90","","92.513","0.003","90","","2554.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrabromo-zinc (II)","bis(acridinium) tetrabromo-zinc (II)","","- C26 H20 Br4 N2 Zn -","- C26 H20 Br4 N2 Zn -","- C104 H80 Br16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0986","0.0885","","","0.2868","0.2974","","","","","","1.218","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224929","16.5361","0.0014","13.2372","0.0011","12.7563","0.0011","90","","106.25","0.003","90","","2680.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromomercurate(II) dihydrate","bis(phenazinium) tetrabromomercurate(II) dihydrate","","- C24 H22 Br4 Hg N4 O2 -","- C24 H22 Br4 Hg N4 O2 -","- C96 H88 Br16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1426","0.1115","","","0.18","0.1901","","","","","","1.175","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224930","6.9401","0.0001","16.5048","0.0003","20.9602","0.0004","90","","91.82","0.03","90","","2399.67","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","","- C24 H22 Cl2 N4 O3 Zn -","- C24 H22 Cl2 N4 O3 Zn -","- C96 H88 Cl8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1208","0.1013","","","0.3008","0.3213","","","","","","1.141","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224931","16.2283","0.0014","12.5193","0.0011","17.939","0.002","90","","115.769","0.002","90","","3282.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","phenazindiium phenazine tetrachloro-zinc(II)","phenazindiium phenazine tetrachloro-zinc(II)","","- C36 H28 Cl4 N6 Zn -","- C36 H28 Cl4 N6 Zn -","- C144 H112 Cl16 N24 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0689","0.0567","","","0.1321","0.1394","","","","","","1.115","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224932","9.6262","0.0004","10.2001","0.0005","14.7243","0.0007","97.375","0.001","93.472","0.001","113.214","0.001","1307.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(acridinium) tetrabromocadmate(II)","bis(acridinium) tetrabromocadmate(II)","","- C26 H20 Br4 Cd N2 -","- C26 H20 Br4 Cd N2 -","- C52 H40 Br8 Cd2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0435","0.0293","","","0.0617","0.0667","","","","","","1.031","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224933","12.8432","0.0016","10.2106","0.0012","18.821","0.002","90","","92.326","0.005","90","","2466.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachlorocadmate (II)","bis(acridinium) tetrachlorocadmate (II)","","- C26 H20 Cd Cl4 N2 -","- C26 H20 Cd Cl4 N2 -","- C104 H80 Cd4 Cl16 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0781","0.0765","","","0.2109","0.2121","","","","","","1.212","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224934","12.0377","0.0009","9.9002","0.0007","18.3254","0.0013","90","","100.72","0.002","90","","2145.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetracholoromercurate(II) monohydrate","bis(quinolinium) tetracholoromercurate(II) monohydrate","","- C18 H20 Cl4 Hg N2 O2 -","- C18 H20 Cl4 Hg N2 O2 -","- C72 H80 Cl16 Hg4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0127","0.0119","","","0.0292","0.0295","","","","","","1.094","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224935","11.4956","0.0003","21.8349","0.0007","15.5772","0.0005","90","","93.772","0.001","90","","3901.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","","- C42 H37 I2 N3 O2 Zn -","- C42 H37 I2 N3 O2 Zn -","- C168 H148 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0548","0.0364","","","0.0847","0.0951","","","","","","1.023","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224936","7.7519","0.0003","10.0771","0.0004","18.7817","0.0007","93.974","0.001","99.551","0.001","104.544","0.001","1390.97","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","","- C26 H27 Br3 N4 O3 Zn -","- C26 H27 Br3 N4 O3 Zn -","- C52 H54 Br6 N8 O6 Zn2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0258","0.0237","","","0.0624","0.0634","","","","","","1.05","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224937","16.693","0.0015","13.4439","0.0012","12.7863","0.0011","90","","106.754","0.002","90","","2747.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromocadmate(II) dihydrate","bis(phenazinium) tetrabromocadmate(II) dihydrate","","- C24 H21 Br4 Cd N4 O2 -","- C24 H21 Br4 Cd N4 O2 -","- C96 H84 Br16 Cd4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1288","0.0755","","","0.1331","0.1569","","","","","","1.126","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224938","11.2134","0.0005","21.5564","0.0011","15.1841","0.0008","90","","92.675","0.002","90","","3666.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","","- C41 H35 I2 N3 O2 Zn -","- C41 H35 I2 N3 O2 Zn -","- C164 H140 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0231","0.0211","","","0.0591","0.0617","","","","","","0.824","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224939","6.917","0.0007","16.4068","0.0015","21.562","0.002","90","","92.213","0.002","90","","2445.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","","- C24 H22 Br2 N4 O3 Zn -","- C24 H22 Br2 N4 O3 Zn -","- C96 H88 Br8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0551","0.0473","","","0.1189","0.1246","","","","","","1.065","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224944","16.4496","0.0006","16.5567","0.0007","17.7879","0.0007","90","","90","","90","","4844.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N10 O10 -","- C42 H66 N10 O10 -","- C168 H264 N40 O40 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.71073","MoKα","","0.0562","0.0469","","","0.1045","0.1085","","","","","","1.052","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7224945","16.7243","0.001","16.7433","0.0009","17.6543","0.001","90","","90","","90","","4943.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 N10 O11 -","- C44 H72 N10 O11 -","- C176 H288 N40 O44 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.7107","MoKα","","0.114","0.0841","","","0.2063","0.2243","","","","","","1.094","","","","has coordinates","185247","2020-10-21","18:00:00",""
"7224946","7.4337","0.0001","9.2677","0.0001","17.007","0.0003","74.3","0.001","79.907","0.001","68.455","0.001","1045.37","0.03","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0966","0.1011","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224947","7.3931","0.0007","9.2277","0.0008","14.7018","0.0013","98.038","0.006","97.853","0.006","110.152","0.005","913.71","0.15","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C40 H62 N2 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0896","0.0469","","","0.0883","0.1041","","","","","","1.004","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224951","13.5184","0.0009","13.4639","0.0008","21.0031","0.0013","90","","106.412","0.007","90","","3667","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","","0.71073","MoKα","","0.1398","0.0682","","","0.1653","0.1915","","","","","","0.8832","","","","has coordinates,has disorder","185237","2020-10-21","18:00:00",""
"7224952","7.2006","0.0001","16.7077","0.0001","30.1005","0.0003","90","","90","","90","","3621.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","korol","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0629","0.0631","","","","","","1.066","","","","has coordinates","185237","2020-10-21","18:00:00",""
"7224953","7.339","0.002","19.964","0.006","10.771","0.003","90","","104.306","0.005","90","","1529.2","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0664","0.0578","","","0.1331","0.14","","","","","","1.001","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224954","12.04","0.003","6.7907","0.0014","19.562","0.004","90","","90","","90","","1599.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0562","0.0447","","","0.0907","0.0967","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7224955","11.55","0.002","11.294","0.002","33.009","0.006","90","","90","","90","","4305.9","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C224 H160 N16 O16 -","8","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0905","0.0451","","","0.105","0.1273","","","","","","1.008","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224961","6.2362","0.0002","16.4475","0.0006","11.5774","0.0005","90","","93.457","0.004","90","","1185.33","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl yellow","'N,N-dimethyl-4-aminoazobenzene '","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C.","Polymorphism of the azobenzene dye compound methyl yellow","CrystEngComm","2016","18","19","3456","","10.1039/C6CE00387G","","","0.71073","MoKα","","0.0892","0.0519","","","0.1046","0.1221","","","","","","1.026","","","","has coordinates","185291","2020-10-21","18:00:00",""
"7224962","15.114","0.001","19.254","0.001","12.036","0.001","103.109","0.008","104.063","0.008","102.422","0.007","3170.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 Cl6 O8 -","- C70 H70 Cl6 O8 -","- C140 H140 Cl12 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","1.54178","CuKα","","0.1585","0.1087","","","0.3134","0.3501","","","","","","1.119","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224963","10.574","0.001","15.785","0.001","17.417","0.002","88.866","0.002","89.179","0.002","75.592","0.002","2815","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 Cl4 O8 -","- C64 H60 Cl4 O8 -","- C128 H120 Cl8 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","0.71069","MoKα","","0.1553","0.0998","","","0.297","0.341","","","","","","1.106","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224964","24.013","0.001","4.8573","0.0002","18.3684","0.0007","90","","110.975","0.004","90","","2000.49","0.15","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br2 N4 O4 -","- C18 H16 Br2 N4 O4 -","- C72 H64 Br8 N16 O16 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0968","0.0328","","","0.0482","0.0522","","","","","","0.705","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224965","15.734","0.0006","7.37","0.0003","12.207","0.0004","90","","107.213","0.004","90","","1352.12","0.09","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 -","- C14 H12 Br N3 O2 -","- C56 H48 Br4 N12 O8 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0595","0.031","","","0.0535","0.0565","","","","","","0.833","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224966","12.7147","0.0016","6.2855","0.0009","27.243","0.003","90","","100.679","0.009","90","","2139.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N6 O3 S -","- C20 H26 N6 O3 S -","- C80 H104 N24 O12 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.132","0.0509","","","0.0875","0.0994","","","","","","0.817","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224967","8.5882","0.0006","9.0566","0.0007","13.2569","0.0009","93.909","0.004","107.379","0.004","107.982","0.004","921.26","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.059","0.0398","","","0.0739","0.0802","","","","","","1.036","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224968","7.8556","0.0004","10.5492","0.0005","11.5009","0.0006","91.605","0.003","102.511","0.003","110.839","0.002","863.8","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O3 S3 -","- C13 H16 N4 O3 S3 -","- C26 H32 N8 O6 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0393","0.0339","","","0.0719","0.0739","","","","","","1.037","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224969","35.437","0.002","5.1812","0.0003","19.7021","0.001","90","","94.827","0.005","90","","3604.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.6 H31.6 N10 O6 S4 Zn -","- C27.6 H31.6 N10 O6 S4 Zn -","- C110.4 H126.4 N40 O24 S16 Zn4 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0844","0.0571","","","0.0983","0.11","","","","","","1.034","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224970","10.6976","0.0008","12.5934","0.0009","14.4096","0.0009","87.49","0.005","85.965","0.005","83.479","0.005","1922.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C66 H60 N24 O12 S12 -","6","3","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1077","0.0577","","","0.1392","0.1705","","","","","","1.003","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224971","9.2653","0.0007","10.2683","0.0007","11.4407","0.0008","66.57","0.004","80.387","0.005","65.245","0.005","906.93","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br N4 O4 S2 -","- C13 H15 Br N4 O4 S2 -","- C26 H30 Br2 N8 O8 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1286","0.0516","","","0.0816","0.1075","","","","","","1.004","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224972","24.018","0.0018","4.9616","0.0002","23.5481","0.0018","90","","112.834","0.009","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C88 H80 N32 O16 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0572","0.0415","","","0.1201","0.1398","","","","","","0.999","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224973","8.6923","0.0002","9.6622","0.0002","11.9422","0.0003","106.389","0.001","91.668","0.001","107.403","0.001","911.1","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0444","0.0384","","","0.118","0.1269","","","","","","1.005","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224974","6.557","0.002","8.595","0.002","12.225","0.003","92.35","0.02","91.9","0.02","98.16","0.02","680.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O4 S -","- C11 H12 N4 O4 S -","- C22 H24 N8 O8 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.2901","0.1164","","","0.2735","0.3261","","","","","","1.097","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224975","8.4079","0.0008","10.8878","0.0011","13.9669","0.0014","86.117","0.006","85.722","0.006","68.541","0.005","1185.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N7 O5 S -","- C23 H25 N7 O5 S -","- C46 H50 N14 O10 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1518","0.0552","","","0.0654","0.0818","","","","","","1.001","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224985","10.1327","0.0005","13.1142","0.0006","16.2637","0.0007","80.616","0.004","84.703","0.004","68.575","0.005","1983.63","0.17","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N O P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.","Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy","CrystEngComm","2016","18","38","7260","","10.1039/C6CE00735J","","","0.71073","MoKα","","0.0497","0.038","","","0.079","0.085","","","","","","1.037","","","","has coordinates,has disorder","187031","2020-10-21","18:00:00",""
"7224986","10.0316","0.0014","10.0316","0.0014","17.575","0.004","90","","90","","120","","1531.7","0.5","122.1","0.1","122.1","0.1","","","","","","","","5","R 3","R 3","146","","","","- C12 H14 N12 O4 Zn2 -","- C12 H13.98 N12 O4 Zn2 -","- C36 H41.94 N36 O12 Zn6 -","3","","","Cao, Chun-Shuai; Hu, Huan-Cheng; Xu, Hang; Qiao, Wan-Zhen; Zhao, Bin","Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions","CrystEngComm","2016","18","23","4445","","10.1039/C5CE02568K","","","0.71073","MoKα","","0.0807","0.0643","","","0.1534","0.1684","","","","","","1.046","","","","has coordinates","185285","2020-10-21","18:00:00",""
"7224988","31.5821","0.0012","31.5821","0.0012","5.8362","0.0005","90","","90","","120","","5041.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C252 H162 N54 -","9","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1191","0.0411","","","0.0906","0.1006","","","","","","0.713","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224989","11.8253","0.0014","6.2971","0.0005","15.069","0.002","90","","100.9","0.005","90","","1101.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C56 H36 N12 -","2","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1892","0.0691","","","0.1811","0.2376","","","","","","0.949","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224990","7.2379","0.001","8.6275","0.0012","12.664","0.002","102.003","0.008","100.361","0.008","91.428","0.009","759.3","0.19","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","neutral complex TMTTF_1","TMTTF_1","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0813","0.061","","","0.1361","0.1464","","","","","","1.024","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224991","9.9664","0.0007","9.6751","0.0006","16.8053","0.0013","90","","99.922","0.005","90","","1596.2","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 S3 -","- C14 H13 N5 S3 -","- C56 H52 N20 S12 -","4","1","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0527","0.0423","","","0.099","0.106","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224992","7.2959","0.0011","8.7231","0.0012","12.7388","0.0018","102.719","0.008","101.011","0.007","91.481","0.007","774.3","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0685","0.0417","","","0.1016","0.114","","","","","","1.065","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224993","5.3638","0.0002","7.2562","0.0003","12.7329","0.0005","77.773","0.002","80.204","0.001","69.11","0.001","450.06","0.03","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0292","0.0261","","","0.0711","0.0747","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224994","8.6586","0.0005","20.4937","0.0012","10.9221","0.0006","90","","109.724","0.002","90","","1824.38","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Fe N6 S4 -","- C36 H40 Fe N6 S4 -","- C72 H80 Fe2 N12 S8 -","2","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.1067","0.0937","","","0.2136","0.2203","","","","","","1.279","","","","has coordinates,has disorder","287935","2023-12-01","15:08:13",""
"7224995","8.0024","0.0002","9.6519","0.0003","10.0837","0.0003","102.814","0.001","96.576","0.001","91.473","0.001","753.4","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","monobenzoylpyrene","phenyl(pyren-1-yl)methanone","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0511","0.0377","","","0.1208","0.1458","","","","","","1.151","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224996","10.0326","0.0003","10.6238","0.0003","11.6287","0.0004","94.489","0.001","99.49","0.002","117.263","0.001","1069.83","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrene-1,3-diylbis(phenylmethanone)","1,3 Dibenzoylpyrene","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0503","0.0408","","","0.1147","0.1292","","","","","","1.067","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224997","5.4689","0.0003","8.251","0.0005","22.572","0.0015","90","","95.604","0.002","90","","1013.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6 Dibenzoylpyrene","pyrene-1,6-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0427","0.0337","","","0.087","0.0955","","","","","","1.039","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224998","25.1722","0.0005","8.4269","0.0002","19.6579","0.0005","90","","99.886","0.001","90","","4107.99","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8 Dibenzoylpyrene","pyrene-1,8-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0711","0.0482","","","0.1237","0.16","","","","","","1.155","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224999","8.9515","0.0004","11.9373","0.0005","14.2375","0.0006","104.703","0.002","102.28","0.002","109.581","0.002","1310.36","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tribenzoylpyrene","pyrene-1,3,6-triyltris(phenylmethanone)","","- C37 H22 O3 -","- C37 H22 O3 -","- C74 H44 O6 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0855","0.0421","","","0.114","0.161","","","","","","1.082","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225000","5.6503","0.0016","20.897","0.005","12.787","0.003","90","","101.506","0.012","90","","1479.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrabenzoylpyrene","pyrene-1,3,6,8-tetrayltetrakis(phenylmethanone)","","- C44 H26 O4 -","- C44 H26 O4 -","- C88 H52 O8 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0623","0.0403","","","0.1084","0.1253","","","","","","1.003","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225001","21.563","0.005","14.172","0.005","13.642","0.005","90","","106.815","0.005","90","","3991","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.2 H39.8 Cd N10.4 O8.4 -","- C22 H16 Cd N7 O5 -","- C88 H64 Cd4 N28 O20 -","4","1","","Yang, Liu; Li, Xiao; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A fluorescent sensor for highly selective sensing of nitro explosives and Hg(ii) ions based on a 3D porous layer metal‒organic framework","CrystEngComm","2016","18","25","4765","","10.1039/C6CE00745G","","","0.71069","MoKα","","0.0545","0.0373","","","0.0904","0.0935","","","","","","1.04","","","","has coordinates","185210","2020-10-21","18:00:00",""
"7225002","8.522","0.0002","15.459","0.0001","15.7009","0.0002","90","","122.166","0.001","90","","1750.97","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N6 O S2 Zn -","- C15 H12 N6 O S2 Zn -","- C60 H48 N24 O4 S8 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","1.5418","CuKα","","0.0357","0.0282","","","0.0662","0.0697","","","","","","1.06","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225003","27.2384","0.001","12.3781","0.0002","23.7446","0.0009","90","","133.803","0.007","90","","5777.9","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N10 O9 Zn -","- C26 H25.192 N10 O8.596 Zn -","- C208 H201.536 N80 O68.768 Zn8 -","8","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0303","0.0274","","","0.0626","0.0637","","","","","","1.028","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225004","12.4748","0.0003","19.5344","0.0003","10.0185","0.0002","90","","90","","90","","2441.39","0.09","130","0.1","130","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Cd N8 O2 -","- C26 H22 Cd N8 O2 -","- C104 H88 Cd4 N32 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.7107","MoKα","","0.0418","0.0289","","","0.0639","0.0711","","","","","","1.048","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225005","7.5604","0.0003","8.0042","0.0003","15.2219","0.0006","93.114","0.002","103.265","0.002","115.536","0.002","796.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 I2 N4 O Zn -","- C13 H12 I2 N4 O Zn -","- C26 H24 I4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.038","0.0276","","","0.0613","0.0649","","","","","","1.033","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225006","7.5331","0.0009","7.832","0.001","14.7352","0.0018","93.269","0.001","103.01","0.001","116.005","0.001","749.16","0.16","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N4 O Zn -","- C13 H12 Br2 N4 O Zn -","- C26 H24 Br4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0283","0.0217","","","0.0488","0.0508","","","","","","1.044","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225007","8.874","0.003","15.738","0.005","15.117","0.007","90","","95.4","0.02","90","","2101.9","1.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd I2 N4 O3 -","- C15 H20 Cd I2 N4 O3 -","- C60 H80 Cd4 I8 N16 O12 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.021","0.0203","","","0.0507","0.051","","","","","","1.161","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225008","7.8599","0.0001","14.8149","0.0002","15.7341","0.0002","90","","93.383","0.001","90","","1828.94","0.04","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 Cd N4 O2 -","- C14 H16 Br2 Cd N4 O2 -","- C56 H64 Br8 Cd4 N16 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.028","0.0218","","","0.041","0.0427","","","","","","1.06","","","","has coordinates,has disorder","185225","2020-10-21","18:00:00",""
"7225009","26.559","0.0016","27.6534","0.0016","21.9738","0.0012","90","","120.836","0.001","90","","13857.2","1.4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H52 N51 O89 Si2 W24 Zn12.5 -","- C34 H35 N51 O89 Si2 W24 Zn12.5 -","- C136 H140 N204 O356 Si8 W96 Zn50 -","4","0.5","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71073","MoKα","","0.0874","0.0547","","","0.1268","0.1462","","","","","","1.013","","","","has coordinates,has disorder","186358","2020-10-21","18:00:00",""
"7225010","18.517","0.0008","15.842","0.0011","26.966","0.005","90","0.001","92.78","0.001","90","0.001","7901.1","1.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N10 O54 Pb2 Si W12 -","- C50 H40 N10 O54 Pb2 Si W12 -","- C200 H160 N40 O216 Pb8 Si4 W48 -","4","1","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71069","MoKα","","0.0508","0.032","","","0.0549","0.0599","","","","","","1.011","","","","has coordinates","186358","2020-10-21","18:00:00",""
"7225038","13.883","0.003","5.6927","0.0011","13.226","0.003","90","","90.43","0.03","90","","1045.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-tellura-1,3-dithiaferrocenophane","","- C10 H8 Fe S2 Te -","- C10 H8 Fe S2 Te -","- C40 H32 Fe4 S8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0793","","","","","","1.041","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225039","11.705","0.002","9.7452","0.0019","9.1003","0.0018","90","","90","","90","","1038","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-diselena-2-thia-ferrocenophane","","- C10 H8 Fe S Se2 -","- C10 H8 Fe S Se2 -","- C40 H32 Fe4 S4 Se8 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0457","0.0386","","","0.0882","0.0928","","","","","","1.072","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225040","14.174","0.003","5.798","0.0012","13.574","0.003","90","","90.19","0.03","90","","1115.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-diselena-2-telluraferrocenophane","","- C10 H8 Fe Se2 Te -","- C10 H8 Fe Se2 Te -","- C40 H32 Fe4 Se8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0721","0.0483","","","0.1023","0.1166","","","","","","1.095","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225041","13.514","0.003","10.494","0.002","16.226","0.003","90","","90","","90","","2301.1","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-ditellura-2-thiaferrocenophane","","- C10 H8 Fe S Te2 -","- C10 H8 Fe S Te2 -","- C80 H64 Fe8 S8 Te16 -","8","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.1264","0.0683","","","0.0819","0.0933","","","","","","1.168","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225042","11.8549","0.0013","16.4789","0.0018","17.32","0.0019","90","","101.091","0.002","90","","3320.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-tyrosiniumpolyiodide hydrate","compound 1","","- C18 H25 I8 N2 O6.5 -","- C18 H25 I8 N2 O6.5 -","- C72 H100 I32 N8 O26 -","4","2","","Lamberts, Kevin; Handels, Philipp; Englert, Ulli; Aubert, Emmanuel; Espinosa, Enrique","Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory","CrystEngComm","2016","18","21","3832","","10.1039/C6CE00396F","","","0.71073","MoKα","","0.0555","0.0494","","","0.1241","0.1301","","","","","","1.051","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225043","9.4953","0.0004","7.4545","0.0004","23.2683","0.001","90","","92.551","0.004","90","","1645.36","0.13","190","","190","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hemitriiodide","","- C15 H17.5 I1.5 N O2 -","- C15 H17.5 I1.5 N O2 -","- C60 H70 I6 N4 O8 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","1.5418","CuKα","","0.048","0.045","","0.1345","0.1296","0.1345","","","","","","0.9861","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225044","13.5939","0.0011","7.2782","0.0005","19.7522","0.0016","90","","109.567","0.009","90","","1841.4","0.3","301","","301","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hydriodide trihydrate","","- C15 H24 I N O5 -","- C15 H24 I N O5 -","- C60 H96 I4 N4 O20 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","0.71073","MoKα","","0.0793","0.0565","","0.1356","0.1201","0.1356","","","","","","0.9748","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225045","13.1828","0.0004","14.6064","0.0005","18.7024","0.0012","89.99","0.004","75.962","0.004","73.901","0.003","3347.9","0.3","100.01","0.1","100.01","","","","","","","","","5","P -1","-P 1","2","agomelatine iodine ‒ triiodide","agomelatine hemitriiodide iodine","","- C60 H68 I8 N4 O8 -","- C60 H70 I8 N4 O8 -","- C120 H140 I16 N8 O16 -","2","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","x-ray","0.71073","MoKα","","0.0229","0.0181","","","0.0443","0.0467","","","","1.17","1.17","1.15","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225046","13.6238","0.001","14.4019","0.001","16.3902","0.0012","78.797","0.001","77.346","0.001","65.537","0.001","2836.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0589","0.0478","","","0.1271","0.1378","","","","","","0.951","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225047","13.6332","0.0018","14.3983","0.0019","16.347","0.002","78.969","0.003","77.335","0.003","65.518","0.002","2831","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1106","0.0699","","","0.1269","0.1495","","","","","","0.967","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225048","13.659","0.003","14.392","0.003","16.317","0.003","78.947","0.003","77.37","0.004","65.555","0.004","2830.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1129","0.0898","","","0.1854","0.2028","","","","","","1.083","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225049","13.616","0.003","14.396","0.003","16.304","0.003","78.978","0.004","77.352","0.004","65.513","0.003","2819.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1096","0.0599","","","0.0935","0.112","","","","","","0.937","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225050","13.6431","0.0017","14.3607","0.0019","16.245","0.002","79.042","0.002","77.557","0.002","65.639","0.002","2812.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0535","0.0416","","","0.0935","0.1013","","","","","","1.027","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225051","13.6739","0.0008","14.3581","0.0008","16.2252","0.0009","79.064","0.001","77.579","0.001","65.711","0.001","2817.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0524","0.0417","","","0.105","0.1155","","","","","","1.037","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225052","13.6709","0.0018","14.3413","0.0018","16.202","0.002","79.129","0.002","77.703","0.002","65.706","0.002","2810.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0706","0.0506","","","0.11","0.1213","","","","","","1.003","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225053","13.6968","0.0015","14.3565","0.0017","16.2082","0.0017","79.075","0.002","77.696","0.002","65.666","0.002","2818.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0704","0.0492","","","0.1063","0.1222","","","","","","1.051","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225054","13.6997","0.0017","14.3367","0.0018","16.203","0.002","79.004","0.002","77.826","0.002","65.631","0.002","2814.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0539","0.0412","","","0.0893","0.0948","","","","","","0.98","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225055","8.3992","0.0007","9.6188","0.0008","17.1946","0.0014","80.489","0.001","81.363","0.001","80.311","0.001","1339.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.032","0.0291","","","0.0684","0.0698","","","","","","1.059","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225056","7.8172","0.0008","10.1764","0.001","16.325","0.0017","82.035","0.001","86.015","0.001","69.337","0.001","1203.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0355","0.0348","","","0.0936","0.0943","","","","","","1.089","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225057","8.2486","0.0003","8.2486","0.0003","65.782","0.004","90","","90","","90","","4475.8","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C108 H80 Er4 N12 O24 -","- C108 H80 Er4 N12 O24 -","- C216 H160 Er8 N24 O48 -","2","0.25","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0802","0.0808","","","","","","1.072","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225058","8.959","0.0006","11.0509","0.0007","14.1615","0.0009","81.507","0.001","76.996","0.001","67.683","0.001","1260.76","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0249","0.0231","","","0.0508","0.0521","","","","","","1.036","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225059","8.6593","0.0009","11.3825","0.0012","14.6811","0.0015","69.244","0.002","73.365","0.002","82.764","0.002","1296","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0275","0.0241","","","0.053","0.0544","","","","","","1.048","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225060","8.6566","0.0011","11.3992","0.0015","14.6846","0.0018","69.373","0.002","73.559","0.002","82.771","0.002","1300.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0318","0.0285","","","0.0575","0.0592","","","","","","1.087","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225061","8.5902","0.0005","11.3902","0.0007","14.602","0.0009","69.573","0.001","73.741","0.001","82.79","0.001","1284.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0267","0.0239","","","0.0505","0.0518","","","","","","1.029","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225062","19.5429","0.0008","4.7197","0.0001","17.2626","0.0007","90","","114.668","0.005","90","","1446.94","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","0.5","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0353","0.0335","","","0.0686","0.0692","","","","","","1.306","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225063","9.8401","0.0004","12.0388","0.0005","15.2173","0.0005","95.386","0.003","106.844","0.003","112.289","0.004","1553.6","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O6 P2 -","- C13 H18 N2 O6 P2 -","- C52 H72 N8 O24 P8 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0593","0.0406","","","0.0851","0.092","","","","","","1.042","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225064","9.1052","0.0002","9.5324","0.0003","20.3596","0.0006","79.976","0.002","86.857","0.002","69.836","0.002","1633.45","0.08","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 N2 O12 P4 -","- C26 H48 N2 O12 P4 -","- C52 H96 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0883","0.0912","","","","","","1.046","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225065","42.86","0.009","11.426","0.002","7.3826","0.0015","90","","90.59","0.03","90","","3615.2","1.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H52 N2 O12 P4 -","- C28 H52 N2 O12 P4 -","- C112 H208 N8 O48 P16 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0598","0.0504","","","0.1039","0.1079","","","","","","1.131","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225066","9.1687","0.0004","9.605","0.0004","17.9827","0.0007","79.13","0.003","89.668","0.003","70.32","0.003","1461.54","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0424","0.034","","","0.0875","0.093","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225067","23.4234","0.0007","4.64205","0.00013","16.9643","0.0005","90","","104.72","0.003","90","","1784.03","0.09","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O6 P2 -","- C15 H28 N O6 P2 -","- C60 H112 N4 O24 P8 -","4","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0694","0.0435","","","0.0888","0.0974","","","","","","1.019","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225068","4.7551","0.0001","8.7442","0.0003","22.6864","0.0008","81.639","0.003","87.13","0.003","88.196","0.003","931.81","0.05","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N O6 P2 -","- C16 H30 N O6 P2 -","- C32 H60 N2 O12 P4 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0464","0.0375","","","0.0909","0.0967","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225069","9.1869","0.0018","9.2725","0.0019","24.348","0.005","83.68","0.03","81.01","0.03","81.4","0.03","2017.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 N2 O12 P4 -","- C34 H64 N2 O12 P4 -","- C68 H128 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0892","0.0717","","","0.1843","0.1933","","","","","","1.115","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225070","13.0898","0.0015","13.0898","0.0015","16.96","0.003","90","","90","","90","","2906","0.7","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H60 B Cl F4 N8 O8 Re2 -","- C60 H60 B Cl F4 N8 O8 Re3 -","- C120 H120 B2 Cl2 F8 N16 O16 Re6 -","2","0.25","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0691","0.0367","","","0.0996","0.1224","","","","","","1.315","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225071","8.7092","0.0007","17.5095","0.0015","12.4774","0.001","90","","90","","90","","1902.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C80 H88 Cd4 N8 O20 -","4","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0317","0.0237","","","0.0636","0.0834","","","","","","1.198","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225072","10.0056","0.0005","10.264","0.0005","22.7508","0.001","84.883","0.004","81.606","0.004","63.403","0.005","2066.07","0.19","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cd2 N4 O8 -","- C42 H48 Cd2 N4 O8 -","- C84 H96 Cd4 N8 O16 -","2","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","1.54178","CuKα","","0.0642","0.045","","","0.1058","0.1179","","","","","","1.014","","","","has coordinates,has disorder","185223","2020-10-21","18:00:00",""
"7225079","9.2607","0.0002","12.0677","0.0003","31.0183","0.0007","90","","97.604","0.003","90","","3435.98","0.14","285.9","0.6","285.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co3 N4 O10 -","- C24 H18 Co3 N4 O10 -","- C96 H72 Co12 N16 O40 -","4","1","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","A CoII-based metal‒organic framework based on [Co6(μ3-OH)4] units exhibiting selective sorption of C2H2over CO2and CH4","CrystEngComm","2016","18","21","3760","","10.1039/C6CE00709K","","x-ray","0.71","MoKα","","0.0836","0.0582","","","0.1905","0.2157","","","","","","1.094","","","","has coordinates,has disorder","185244","2020-10-21","18:00:00",""
"7225080","9.9523","0.0007","9.9523","0.0007","36.798","0.003","90","","90","","90","","3644.8","0.5","293","2","293","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","NNU-32","","","- C34 H14 In O8 -","- C34 H14 In O8 -","- C68 H28 In2 O16 -","2","0.125","","Li, Xingyu; Chen, Dashu; Liu, Yue; Yu, Ziyang; Xia, Qiansu; Xing, Hongzhu; Sun, Wendong","Anthracene-based indium metal‒organic framework as a promising photosensitizer for visible-light-induced atom transfer radical polymerization","CrystEngComm","2016","18","20","3696","","10.1039/C6CE00465B","","","0.71073","MoKα","","0.0756","0.0413","","","0.1038","0.1151","","","","","","0.963","","","","has coordinates","185236","2020-10-21","18:00:00",""
"7225090","8.888","0.004","16.396","0.008","14.795","0.007","90","","90","","90","","2156","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Ag2 N6 O6 -","- C18 H16 Ag2 N6 O6 -","- C72 H64 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.042","0.0349","","","0.1039","0.1084","","","","","","1.085","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225091","13.3465","0.0017","7.1935","0.0009","19.632","0.003","90","","102.694","0.001","90","","1838.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Ag2 N6 O6 -","- C19 H12 Ag2 N6 O6 -","- C76 H48 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0481","0.0322","","","0.0713","0.0813","","","","","","1.007","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225092","18.11","0.013","14.899","0.011","10.013","0.007","90","","104.397","0.008","90","","2617","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Ag6 N8 O8 -","- C22 H10 Ag6 N8 O8 -","- C88 H40 Ag24 N32 O32 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0733","0.0635","","","0.1672","0.1751","","","","","","0.998","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225093","13.3233","0.0005","7.3226","0.0002","8.0133","0.0003","90","","97.8638","0.0009","90","","774.44","0.05","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Br K N2 O3 -","- C4 H4 Br K N2 O3 -","- C16 H16 Br4 K4 N8 O12 -","4","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0115","2.09046","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225094","14.1395","0.0006","7.374","0.0003","13.9831","0.0006","90","","102.141","0.002","90","","1425.33","0.1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Br N2 Na O3 -","- C4 H4 Br N2 Na O3 -","- C32 H32 Br8 N16 Na8 O24 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0649","8.84972","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225095","8.2776","0.0004","21.885","0.003","7.16","0.0006","90","","90","","90","","1297.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C32 H32 Br4 N16 O24 Rb4 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","","","0.71073","MoKα","","0.0438","0.0246","","","0.0476","0.0501","","","","","","0.934","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225096","13.1709","0.0004","13.5041","0.0005","14.1929","0.0005","85.631","0.003","89.267","0.002","63.403","0.003","2250.03","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0431","0.0364","","","0.1021","0.1079","","","","","","1.079","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225097","13.2476","0.0004","13.6218","0.0004","14.1692","0.0005","85.747","0.002","88.605","0.003","63.083","0.003","2273.51","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.047","0.0375","","","0.1082","0.1149","","","","","","1.113","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225098","13.2798","0.0005","13.6291","0.0005","14.1655","0.0004","85.823","0.003","88.506","0.003","63.048","0.004","2279.23","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0537","0.0433","","","0.1194","0.1272","","","","","","1.125","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225099","13.192","0.0011","13.5237","0.001","14.1426","0.0008","85.88","0.005","89.094","0.006","63.263","0.008","2247.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0442","0.0354","","","0.0998","0.1048","","","","","","1.07","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225100","13.2572","0.0008","13.5997","0.0007","14.1795","0.0007","85.809","0.004","88.882","0.004","63.111","0.005","2273.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0551","0.0433","","","0.1168","0.126","","","","","","1.067","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225101","50.824","0.0014","11.369","0.0003","17.604","0.0004","90","","90","","90","","10171.9","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 Nd6 O44 S9 -","- C79 H79 N5 Nd6 O44 S9 -","- C316 H316 N20 Nd24 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0442","0.0312","","","0.0576","0.0631","","","","","","1.079","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225102","50.925","0.0014","11.3821","0.0003","17.6499","0.0004","90","","90","","90","","10230.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 Pr6 S9 -","- C79 H79 N5 O44 Pr6 S9 -","- C316 H316 N20 O176 Pr24 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0411","0.032","","","0.0613","0.0649","","","","","","1.025","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225103","17.3778","0.0004","11.64042","0.00019","18.3475","0.0004","90","","110.413","0.003","90","","3478.36","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N3 O14.5 S3 Tb2 -","- C28 H28 N2 O14.5 S3 Tb2 -","- C112 H112 N8 O58 S12 Tb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0323","0.0271","","","0.0698","0.0728","","","","","","1.088","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225104","17.2053","0.0008","11.6462","0.0004","18.2629","0.0009","90","","110.462","0.005","90","","3428.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23.5 H27 N8 O13.5 S3 Yb2 -","- C28 H28 N2 O14.5 S3 Yb2 -","- C112 H112 N8 O58 S12 Yb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0624","0.0566","","","0.1091","0.1118","","","","","","1.165","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225105","17.3974","0.0003","11.64531","0.00019","18.375","0.0004","90","","110.319","0.002","90","","3491.09","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Gd2 N2 O15 S3 -","- C28 H28 Gd2 N2 O15 S3 -","- C112 H112 Gd8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0379","0.0323","","","0.0791","0.0827","","","","","","1.105","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225106","17.3358","0.0004","11.6348","0.0002","18.3198","0.0004","90","","110.426","0.003","90","","3462.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Dy2 N2 O15 S3 -","- C28 H28 Dy2 N2 O15 S3 -","- C112 H112 Dy8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0384","0.0327","","","0.0733","0.0775","","","","","","1.045","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225107","51.1545","0.0014","11.4493","0.0003","17.7196","0.0005","90","","90","","90","","10378.1","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 Ce6 N5 O44 S9 -","- C79 H79 Ce6 N5 O44 S9 -","- C316 H316 Ce24 N20 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0603","0.0549","","","0.1383","0.1417","","","","","","1.09","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225108","50.641","0.003","11.353","0.0008","17.5277","0.001","90","","90","","90","","10077.2","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 S9 Sm6 -","- C79 H79 N5 O44 S9 Sm6 -","- C316 H316 N20 O176 S36 Sm24 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0304","0.0268","","","0.0611","0.0622","","","","","","1.163","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225109","11.2547","0.0005","17.5664","0.0008","16.8496","0.0009","90","","93.473","0.002","90","","3325.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H47 Eu4 N3 O29 S6 -","- C51 H47 Eu4 N3 O29 S6 -","- C102 H94 Eu8 N6 O58 S12 -","2","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0328","0.0311","","","0.071","0.0718","","","","","","1.131","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225126","33.368","0.009","13.694","0.003","23.569","0.007","90","","133.022","0.01","90","","7874","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-tris(phenylthio)-1,3,5-triazine","","- C21 H15 N3 S3 -","- C21 H15 N3 S3 -","- C336 H240 N48 S48 -","16","2","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0847","0.0523","","","0.1161","0.1345","","","","","","1.006","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225127","7.5595","0.0016","9.694","0.002","29.683","0.006","90","","96.753","0.004","90","","2160.1","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(p-tolylthio)-1,3,5-triazine","","- C24 H21 N3 S3 -","- C24 H21 N3 S3 -","- C96 H84 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.077","0.0514","","","0.1233","0.1545","","","","","","1.083","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225128","10.233","0.003","14.35","0.004","14.563","0.004","90","","90.98","0.005","90","","2138.2","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((4-chlorophenyl)thio)-1,3,5-triazine","","- C21 H12 Cl3 N3 S3 -","- C21 H12 Cl3 N3 S3 -","- C84 H48 Cl12 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.08","0.0461","","","0.1043","0.1298","","","","","","1.06","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225129","20.799","0.004","7.8317","0.0015","15.126","0.003","90","","109.382","0.005","90","","2324.3","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris((3-nitrophenyl)thio)-1,3,5-triazine","","- C21 H12 N6 O6 S3 -","- C21 H12 N6 O6 S3 -","- C84 H48 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2272","0.0756","","","0.1106","0.1432","","","","","","0.964","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225130","12.642","0.003","8.916","0.002","23.281","0.005","90","","97.804","0.006","90","","2599.8","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((2-methyl-5-nitrophenyl)thio)-1,3,5-triazine","","- C24 H18 N6 O6 S3 -","- C24 H18 N6 O6 S3 -","- C96 H72 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1009","0.0495","","","0.0995","0.1167","","","","","","1.007","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225131","9.411","0.002","12.295","0.003","13.934","0.003","108.662","0.004","108.819","0.003","92.389","0.004","1426.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N3 S3 -","- C30 H27 F3 N3 S3 -","- C60 H54 F6 N6 S6 -","2","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1076","0.093","","","0.245","0.2863","","","","","","1.163","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225132","11.446","0.002","9.9569","0.0018","22.647","0.004","90","","93.964","0.008","90","","2574.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 S3 -","- C27 H27 N3 S3 -","- C108 H108 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0946","0.0508","","","0.1135","0.1324","","","","","","1.022","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225133","13.491","0.005","10.406","0.004","23.955","0.009","90","","94.092","0.007","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 N3 S3 -","- C36 H45 N3 S3 -","- C144 H180 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2417","0.0807","","","0.127","0.1836","","","","","","0.906","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225134","9.899","0.003","12.113","0.003","20.03","0.005","90","","90","","90","","2401.7","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H3 F12 N3 S3 -","- C21 H3 F12 N3 S3 -","- C84 H12 F48 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1336","0.045","","","0.0761","0.1014","","","","","","1.001","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225136","17.507","0.004","14.509","0.004","14.459","0.004","90","","121.212","0.007","90","","3141.1","1.4","296","2","296","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C32 H32 Cl2 Cu24 N48 O80 P2 W24 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0845","0.0643","","","0.1419","0.1479","","","","","","1.096","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225137","17.436","0.002","14.52","0.002","14.457","0.003","90","","121.431","0.004","90","","3123","0.9","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C32 H32 Cl2 Cu24 Mo24 N48 O80 P2 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0732","0.0562","","","0.1113","0.119","","","","","","1.051","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225145","9.2965","0.001","15.3442","0.0018","27.151","0.003","90","","91.243","0.003","90","","3872.1","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Co F12 Gd N3 O10 -","- C35 H26 Co F12 Gd N3 O10 -","- C140 H104 Co4 F48 Gd4 N12 O40 -","4","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0686","0.0468","","","0.0922","0.1001","","","","","","1.059","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225146","18.2485","0.0006","15.8544","0.0006","28.0187","0.0009","90","","90","","90","","8106.3","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 F12 Gd N3 Ni O10 -","- C35 H26 F12 Gd N3 Ni O10 -","- C280 H208 F96 Gd8 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0513","0.0363","","","0.0798","0.0884","","","","","","0.964","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225147","18.235","0.0011","15.8583","0.0011","28.0209","0.0019","90","","90","","90","","8103","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 Dy F12 N3 Ni O10 -","- C35 H26 Dy F12 N3 Ni O10 -","- C280 H208 Dy8 F96 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.062","0.0358","","","0.0741","0.0849","","","","","","1.02","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225148","8.7174","0.0019","8.617","0.002","12.019","0.003","90","","93.283","0.006","90","","901.4","0.4","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.052","0.0457","","","0.1007","0.1037","","","","","","0.965","","","","has coordinates","185219","2020-10-21","18:00:00",""
"7225149","8.7522","0.0004","8.6342","0.0004","12.141","0.0006","90","","90.136","0.004","90","","917.47","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.0265","0.0255","","","0.0651","0.0659","","","","","","1.035","","","","has coordinates,has disorder","185219","2020-10-21","18:00:00",""
"7225150","10.6574","0.0016","14.801","0.002","7.7136","0.0011","90","","97.635","0.003","90","","1206","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.35 Cl0.65 N2 Zn -","- C10 H8 Br1.346 Cl0.654 N2 Zn -","- C40 H32 Br5.384 Cl2.616 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0864","0.0418","","","0.0769","0.088","","","","","","1.032","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225151","10.7037","0.0016","14.806","0.002","7.7392","0.0012","90","","97.673","0.003","90","","1215.5","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.51 Cl0.49 N2 Zn -","- C10 H8 Br1.512 Cl0.488 N2 Zn -","- C40 H32 Br6.048 Cl1.952 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0425","0.0289","","","0.0691","0.0738","","","","","","1.077","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225152","10.755","0.006","14.818","0.008","7.775","0.004","90","","97.568","0.009","90","","1228.3","1.1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.75 Cl0.25 N2 Zn -","- C10 H8 Br1.754 Cl0.246 N2 Zn -","- C40 H32 Br7.016 Cl0.984 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0587","0.0313","","","0.0633","0.0706","","","","","","1.042","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225153","7.5299","0.0006","8.7931","0.0007","9.0498","0.0007","112.835","0.0019","94.457","0.002","95.707","0.002","545.06","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 Zn -","- C10 H8 Cl2 N2 Zn -","- C20 H16 Cl4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0309","0.0244","","","0.0557","0.0577","","","","","","1.038","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225154","7.5668","0.001","8.8117","0.0011","9.083","0.0011","113.005","0.0018","94.6504","0.0019","95.787","0.0019","549.79","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.19 Cl1.81 N2 Zn -","- C10 H8 Br0.1859 Cl1.8141 N2 Zn -","- C20 H16 Br0.3718 Cl3.6282 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0247","0.0201","","","0.0471","0.0484","","","","","","1.073","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225155","7.6518","0.0005","8.8233","0.0006","9.1333","0.0006","113.523","0.0013","95.1819","0.0015","95.9954","0.0015","556.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.62 Cl1.38 N2 Zn -","- C10 H8 Br0.6191 Cl1.3809 N2 Zn -","- C20 H16 Br1.2382 Cl2.7618 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0209","0.0175","","","0.0436","0.0448","","","","","","1.038","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225156","7.6883","0.0008","8.8529","0.0009","9.1701","0.0009","113.7","0.0013","95.3265","0.0014","95.9991","0.0014","562.12","0.1","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.88 Cl1.12 N2 Zn -","- C10 H8 Br0.8808 Cl1.1192 N2 Zn -","- C20 H16 Br1.7616 Cl2.2384 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0202","0.0175","","","0.0441","0.045","","","","","","1.066","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225157","7.7335","0.0013","8.9213","0.0015","9.2304","0.0016","114.064","0.004","95.245","0.004","96.005","0.004","571.96","0.17","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.37 Cl0.64 N2 Zn -","- C10 H8 Br1.365 Cl0.635 N2 Zn -","- C20 H16 Br2.73 Cl1.27 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0522","0.035","","","0.0785","0.0811","","","","","","0.957","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225158","7.785","0.004","8.976","0.005","9.255","0.005","114.285","0.007","95.568","0.007","95.95","0.008","579.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.71 Cl0.29 N2 Zn -","- C10 H8 Br1.711 Cl0.289 N2 Zn -","- C20 H16 Br3.422 Cl0.578 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.095","0.0634","","","0.1482","0.166","","","","","","1.085","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225159","7.882","0.006","9.046","0.007","9.355","0.007","114.689","0.014","95.786","0.016","95.861","0.015","595.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.1121","0.0719","","","0.1996","0.2251","","","","","","1.047","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225160","10.6281","0.0012","14.7546","0.0016","7.6742","0.0008","90","","97.2146","0.0016","90","","1193.9","0.2","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C40 H32 Br3.6 Cl4.4 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0461","0.0354","","","0.0809","0.0846","","","","","","1.165","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225161","10.7082","0.0005","14.7769","0.0007","7.7285","0.0003","90","","97.3492","0.0014","90","","1212.87","0.09","321","2","321","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.36 Cl0.64 N2 Zn -","- C10 H8 Br1.358 Cl0.642 N2 Zn -","- C40 H32 Br5.432 Cl2.568 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.05","0.0289","","","0.0666","0.0732","","","","","","1.035","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225162","10.826","0.003","14.85","0.004","7.813","0.002","90","","97.435","0.005","90","","1245.5","0.6","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.77 Cl0.23 N2 Zn -","- C10 H8 Br1.766 Cl0.234 N2 Zn -","- C40 H32 Br7.064 Cl0.936 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0586","0.0313","","","0.0696","0.0782","","","","","","1.015","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225163","10.8238","0.0018","14.807","0.002","7.8103","0.0012","90","","97.425","0.003","90","","1241.2","0.3","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0697","0.0351","","","0.0772","0.0886","","","","","","1.026","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225164","9.3081","0.0019","14.1","0.003","18.227","0.004","90","","96.81","0.03","90","","2375.3","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Zn(1,3-BDC)(abimb)]?H2O}n","","- C26 H21 N5 O5 Zn -","- C26 H21 N5 O5 Zn -","- C104 H84 N20 O20 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.085","0.0654","","","0.1388","0.1505","","","","","","1.016","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225165","11.976","0.002","13.901","0.003","17.491","0.006","90","","119.05","0.02","90","","2545.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn(5-Br-1,3-BDC)(bimcz)]n","","- C26 H16 Br N5 O4 Zn -","- C26 H16 Br N5 O4 Zn -","- C104 H64 Br4 N20 O16 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.2732","0.1205","","","0.1937","0.2538","","","","","","1.074","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225166","7.2124","","29.0912","","11.686","","90","","106.181","","90","","2354.8","","119.8","0.3","119.8","","","","","","","","","5","P 1 21 1","P 2yb","4","Phase 1","Sitagliptin L-tartrate Phase 1","","- C40 H44 F12 N10 O15 -","- C40 H44 F12 N10 O15 -","- C80 H88 F24 N20 O30 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1042","0.1141","","","","1.22","1.22","1.22","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225167","7.21076","0.00011","11.66322","0.00014","15.64522","0.00015","99.3299","0.0008","98.8646","0.0013","105.99","0.0012","1220.43","0.03","293","","293","","","","","","","","","5","P 1","P 1","1","Phase 2","Sitagliptin L-tartrate Phase 2","","- C20 H21 F6 N5 O7 -","- C20 H15 F6 N5 O7.5 -","- C40 H30 F12 N10 O15 -","2","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","powder diffraction","x-ray","1.5418","CuKα","","0.0583","0.0583","","0.0759","0.0759","","","","5.91","","","","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225168","45.2368","0.0004","8.2403","0.0004","7.1817","0.0018","90","","95.326","0.004","90","","2665.5","0.7","119.98","0.1","120","","","","","","","","","5","C 1 2 1","C 2y","5","tetrahydrate","Sitagliptin L-tartrate tetrahydrate","","- C20 H20 F6 N5 O11.227 -","- C20 H20 F6 N5 O11.22 -","- C80 H80 F24 N20 O44.88 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.0716","0.0669","","","0.1678","0.1707","","","","2.51","2.51","2.42","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225173","12.1488","0.001","10.8376","0.0008","12.125","0.0009","90","","107.254","0.003","90","","1524.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0637","0.0324","","","0.0617","0.0703","","","","","","1.023","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225174","13.03","0.005","11.026","0.005","17.428","0.005","90","0.005","100.716","0.005","90","0.005","2460.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N5 O3 Sn -","- C20 H35 N5 O3 Sn -","- C80 H140 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0794","0.0487","","","0.1343","0.1475","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225175","12.117","0.005","9.762","0.005","12.936","0.005","90","","103.504","0.005","90","","1487.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0455","0.0338","","","0.0782","0.0981","","","","","","1.118","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225176","16.6335","0.0008","18.0945","0.0009","15.1131","0.0008","90","","111.797","0.001","90","","4223.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N4 O9 Sn2 -","- C34 H62 N4 O9 Sn2 -","- C136 H248 N16 O36 Sn8 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0408","0.0341","","","0.0827","0.0863","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225177","10.7847","0.0006","7.4633","0.0004","19.1432","0.001","90","","100.684","0.001","90","","1514.11","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N5 O3 Sn -","- C11 H19 N5 O3 Sn -","- C44 H76 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0251","0.0223","","","0.0568","0.0599","","","","","","1.071","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225178","24.5009","0.0007","21.006","0.0006","35.5102","0.0011","90","","90","","90","","18275.9","0.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53 Ce Fe2 N6 O87 P2 W20 -","- C10 Ce0.99 Fe2 N6 O87 P2 W20 -","- C80 Ce7.92 Fe16 N48 O696 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1415","0.0726","","","0.1401","0.1646","","","","","","1.064","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225179","24.4846","0.0014","21.2236","0.0013","35.6854","0.0016","90","","90","","90","","18544","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H57 Fe2 La N6 O89 P2 W20 -","- C10 Fe2 La N6 O84 P2 W20 -","- C80 Fe16 La8 N48 O672 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.2144","0.0865","","","0.1245","0.151","","","","","","1.036","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225180","31.9258","0.0011","31.9258","0.0011","20.7484","0.0015","90","","90","","120","","18314.7","1.6","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H97 Fe2 N8 O105 P2 Sm W20 -","- C4 Fe2 O80 P2 Sm W20 -","- C24 Fe12 O480 P12 Sm6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1255","0.0729","","","0.1463","0.1572","","","","","","1.014","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225181","31.9128","0.001","31.9128","0.001","20.7587","0.0009","90","","90","","120","","18308.8","1.1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H89 Fe2 N8 O101 P2 Tb W20 -","- C8 Fe2 N4 O94.6667 P2 Tb W20 -","- C48 Fe12 N24 O568 P12 Tb6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1124","0.0653","","","0.1512","0.1675","","","","","","1.046","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225182","28.6873","0.0009","28.6873","0.0009","15.9087","0.001","90","","90","","120","","11338.2","0.9","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate","","- C144 H156 Co12 N12 O60 -","- C126 H114 Co12 N6 O54 -","- C378 H342 Co36 N18 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","0.71073","MoKα","","0.1194","0.0538","","","0.1141","0.1331","","","","","","0.901","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225183","12.3354","0.0005","12.8534","0.0007","14.3146","0.0005","91.265","0.004","97.978","0.003","94.724","0.004","2238.71","0.17","121","1","121","1","","","","","","","","5","P -1","-P 1","2","","di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate","","- C46 H44 Co3 N4 O15 -","- C46 H44 Co3 N4 O15 -","- C92 H88 Co6 N8 O30 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.7107","MoKα","","0.0401","0.0298","","","0.0675","0.0722","","","","","","1.02","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225184","15.6278","0.0016","15.6996","0.0015","29.048","0.003","90.9201","0.001","104.139","0.0016","90.234","0.0013","6909.9","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","di[tetra(chrysazinato)-tetra(N,N-dimethylformamide)-tetra-cobalt(II)] di(N,N-dimethylformamide) solvate hemihydrate","","- C143.05 H120.45 Co8 N10.35 O42.85 -","- C142 H118 Co8 N10 O42.5 -","- C284 H236 Co16 N20 O85 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.0696","0.0627","","","0.1777","0.1829","","","","","","1.07","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225185","13.5308","0.0003","7.7288","0.0002","19.6854","0.0004","90","","99.38","0.002","90","","2031.11","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di(chrysazinato)-di-copper(II)","","- C28 H12 Cu2 O8 -","- C28 H12 Cu2 O8 -","- C112 H48 Cu8 O32 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.5418","CuKα","","0.0364","0.0314","","","0.088","0.0921","","","","","","1.066","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225186","40.04","0.03","40.04","0.03","3.674","0.003","90","","90","","120","","5101","7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate","","- C29.33 H15.11 Cu2 N0.44 O8.44 -","- C28 H12 Cu2 O8 -","- C252 H108 Cu18 O72 -","9","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.6889","synchrotron","","0.0528","0.0503","","","0.1297","0.1317","","","","","","1.145","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225187","7.90242","0.00016","19.4909","0.0004","18.5266","0.0004","90","","90","","90","","2853.56","0.1","119.95","0.1","119.95","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","di(chrysazinato)-bis(dimethylsulfoxide)-di-copper(II)","","- C32 H24 Cu2 O10 S2 -","- C32 H24 Cu2 O10 S2 -","- C128 H96 Cu8 O40 S8 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0996","0.1019","","","","","","1.055","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225188","10.0131","0.0004","8.4169","0.0004","18.1414","0.0008","90","","100.448","0.004","90","","1503.59","0.12","269.95","0.1","269.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N2 O10 -","- C34 H28 Fe N2 O10 -","- C68 H56 Fe2 N4 O20 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.54184","CuKα","","0.0444","0.0385","","","0.1055","0.1113","","","","","","1.039","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225189","8.2927","0.0004","15.5166","0.0007","15.8042","0.0006","118.226","0.004","92.344","0.004","92.239","0.004","1786.34","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate","","- C45 H26 Fe2 N O13.5 -","- C45 H26 Fe2 N O13.5 -","- C90 H52 Fe4 N2 O27 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0619","0.0516","","","0.1349","0.144","","","","","","1.022","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225190","28.6809","0.0007","28.6809","0.0007","15.8967","0.0004","90","","90","","120","","11324.6","0.5","120.1","0.14","120.1","0.14","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate","","- C144 H156 N12 Ni12 O60 -","- C126 H114 N6 Ni12 O54 -","- C378 H342 N18 Ni36 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0319","0.0291","","","0.0831","0.0847","","","","","","1.048","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225191","9.7302","0.0006","13.4388","0.0005","17.0848","0.0007","95.504","0.003","97.873","0.004","95.172","0.004","2190.67","0.18","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","tetra(acetato)-tetra(chrysazinato)-tetra(N,N-dimethylformamide)-hexa-nickel(II) bis(N,N-dimethylformamide) solvate","","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","1","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0719","0.0598","","","0.166","0.181","","","","","","1.025","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225192","9.578","0.0007","11.0933","0.0008","20.1508","0.0014","90","","99.517","0.006","90","","2111.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N8 Ni2 O20 -","- C40 H36 N8 Ni2 O20 -","- C80 H72 N16 Ni4 O40 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.1422","0.0765","","","0.1479","0.1696","","","","","","1.135","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225193","9.422","0.0019","10.196","0.002","25.032","0.005","90","","96.37","0.03","90","","2389.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H36 N2 O17 Zn3 -","- C54 H36 N2 O17 Zn3 -","- C108 H72 N4 O34 Zn6 -","2","1","","Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong","A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure","CrystEngComm","2016","18","38","7221","","10.1039/C6CE00727A","","","0.71073","MoKα","","0.1401","0.0593","","","0.1062","0.166","","","","","","0.974","","","","has coordinates","187032","2020-10-21","18:00:00",""
"7225194","15.7172","0.0009","4.0206","0.0002","17.5023","0.001","90","","114.595","0.001","90","","1005.67","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C40 H36 Br4 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0529","0.0362","","","0.0912","0.1001","","","","","","1.036","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225195","3.9208","0.0002","11.0581","0.0007","12.1034","0.0007","79.857","0.001","86.846","0.001","80.343","0.001","509.07","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0435","0.039","","","0.1037","0.1078","","","","","","1.046","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225196","4.0982","0.0003","13.3942","0.0009","20.0019","0.0014","90","","91.125","0.001","90","","1097.73","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0622","0.0554","","","0.164","0.1714","","","","","","1.055","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225197","18.77","0.002","4.742","0.0005","23.122","0.003","90","","90.86","0.001","90","","2057.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C80 H72 Br8 O24 -","8","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.055","0.0443","","","0.1043","0.1109","","","","","","1.075","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225198","9.9527","0.0005","10.3401","0.0005","12.2625","0.0006","82.421","0.0008","83.5482","0.0009","82.2157","0.0009","1233.65","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H28 O6 -","- C27.5 H28 O6 -","- C55 H56 O12 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0746","0.0668","","","0.1925","0.2028","","","","","","1.042","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225199","7.738","0.0006","8.1099","0.0006","10.0048","0.0008","71.822","0.001","84.921","0.001","64.415","0.001","537.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C24 H24 O6 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0719","0.0617","","","0.1697","0.1813","","","","","","1.062","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225200","7.5522","0.0009","8.1546","0.001","8.99","0.0011","91.546","0.002","111.209","0.002","94.653","0.002","513.5","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0669","0.0484","","","0.1301","0.1484","","","","","","1.032","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225201","8.3783","0.0004","9.3392","0.0005","9.5107","0.0005","75.719","0.001","82.633","0.001","69.677","0.001","675.55","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C31 H32 O6 -","1","0.5","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0536","0.0483","","","0.1307","0.1376","","","","","","1.045","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225202","9.0513","0.0005","10.3906","0.0005","14.5614","0.0007","108.141","0.001","102.794","0.001","94.194","0.001","1254.09","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Br2 O9 -","- C22 H26 Br2 O9 -","- C44 H52 Br4 O18 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0649","0.0482","","","0.1227","0.1317","","","","","","1.031","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225203","26.9829","0.001","37.6059","0.0015","19.3314","0.0007","90","","90","","90","","19615.9","1.3","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H38 Cu2 Mo16 N24 O57 -","- C32 H32 Cu2 Mo16 N24 O57 -","- C256 H256 Cu16 Mo128 N192 O456 -","8","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0828","0.0561","","","0.1605","0.1743","","","","","","1.081","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225204","27.09","0.0013","38.276","0.0013","19.107","0.0008","90","","90","","90","","19812","1.4","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C16 H22 Co Mo8 N12 O30 -","- C16 H16 Co Mo8 N12 O30 -","- C256 H256 Co16 Mo128 N192 O480 -","16","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0746","0.0475","","","0.1396","0.1507","","","","","","1.082","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225205","12.932","0.0004","18.982","0.0006","21.457","0.0007","90","","102.729","0.001","90","","5137.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Ag4 Mo24 N24 O90 P2 -","- C32 H32 Ag4 Mo24 N24 O90 P2 -","- C64 H64 Ag8 Mo48 N48 O180 P4 -","2","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0523","0.0486","","","0.1104","0.1121","","","","","","1.031","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225206","12.7322","0.001","13.6706","0.0011","16.522","0.0014","89.582","0.002","87.082","0.002","86.877","0.002","2867.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H38 Ag N6 O49 P W12 -","- C21 H24 Ag N6 O49 P W12 -","- C42 H48 Ag2 N12 O98 P2 W24 -","2","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0981","0.0722","","","0.1954","0.2218","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225207","5.7985","0.0011","11.964","0.003","17.496","0.003","101.978","0.007","97.828","0.007","90.114","0.008","1175.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F4 N3 O5 S -","- C25 H21 F4 N3 O5 S -","- C50 H42 F8 N6 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0828","0.0536","","","0.1214","0.1308","","","","","","1.125","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225208","5.8888","0.0003","21.5969","0.0011","19.2814","0.001","90","","97.821","0.002","90","","2429.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N3 O6 S -","- C25 H21 F4 N3 O6 S -","- C100 H84 F16 N12 O24 S4 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0389","0.03","","","0.0696","0.0741","","","","","","1.028","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225235","18.188","0.004","22.992","0.005","14.357","0.003","90","","125.36","0.03","90","","4896","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H90 Cd3 N18 O51 Sb6 V15 -","- C18 H72 Cd3 N18 O51 Sb6 V15 -","- C36 H144 Cd6 N36 O102 Sb12 V30 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1059","0.083","","","0.2124","0.2305","","","","","","1.022","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225236","12.4887","0.0007","12.4887","0.0007","39.986","0.005","90","","90","","120","","5401","0.8","292","2","292","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 N12 Ni2 O48 Sb6 V15 -","- C12 H42 N12 Ni2 O48 Sb6 V15 -","- C36 H126 N36 Ni6 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0995","0.089","","","0.2245","0.2432","","","","","","1.076","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225237","12.4543","0.0018","12.4543","0.0018","39.916","0.008","90","","90","","120","","5361.9","1.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 Co2 N12 O48 Sb6 V15 -","- C12 H42 Co2 N12 O48 Sb6 V15 -","- C36 H126 Co6 N36 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0608","0.0501","","","0.1324","0.1415","","","","","","1.038","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225238","13.6766","0.001","11.9042","0.0005","19.2758","0.0015","90","","109.348","0.009","90","","2961","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H16 O48 Sb8 V14 -","- O48 Sb8 V14 -","- O96 Sb16 V28 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1011","0.0676","","","0.1731","0.2071","","","","","","1.021","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225239","29.05","0.006","15.812","0.003","21.821","0.004","90","","128.43","0.03","90","","7852","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H70 Co2 N12 O47 Sb8 V14 -","- C18 H60 Co2 N12 O47 Sb8 V14 -","- C72 H240 Co8 N48 O188 Sb32 V56 -","4","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0533","0.0405","","","0.0949","0.0988","","","","","","1.08","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225240","7.488","0.0015","13.035","0.003","15.569","0.003","105.68","0.03","101.8","0.03","90.67","0.03","1428.5","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 Cl2 O8 -","- C33 H30 Cl2 O8 -","- C66 H60 Cl4 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0541","0.0505","","","0.1346","0.1374","","","","","","1.069","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225241","7.523","0.0015","11.901","0.002","15.487","0.003","107.5","0.03","101.49","0.03","96.92","0.03","1271.5","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0636","0.0527","","","0.1349","0.1432","","","","","","1.038","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225242","26.689","0.005","15.869","0.003","7.169","0.0014","90","","101.83","0.03","90","","2971.8","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 O8 -","- C34 H28 Cl2 O8 -","- C136 H112 Cl8 O32 -","4","0.5","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.1024","0.0884","","","0.2488","0.2597","","","","","","1.768","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225243","7.312","0.0015","23.629","0.005","20.889","0.004","90","","90","","90","","3609.1","1.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Br6 O8 -","- C34 H30 Br6 O8 -","- C136 H120 Br24 O32 -","4","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0506","0.0498","","","0.1304","0.131","","","","","","1.047","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225244","17.042","0.01","19.312","0.011","25.505","0.015","111.723","0.008","93.518","0.008","102.47","0.008","7521","8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H155 N7 O26 Zn8 -","- C139 H155 N7 O26 Zn8 -","- C278 H310 N14 O52 Zn16 -","2","1","","Kumari, Harshita; Mayhan, Collin M.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Metal exchange study of pyrogallol[4]arene based dimers","CrystEngComm","2016","18","26","4909","","10.1039/C6CE00639F","","","0.71073","MoKα","","0.3279","0.1297","","","0.3363","0.446","","","","","","1.006","","","","has coordinates","185189","2020-10-21","18:00:00",""
"7225245","23.519","0.004","23.519","0.004","10.8159","0.0013","90","","90","","120","","5181.2","1.4","120","2","120","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene tetrahydrofuran solvate","","- C35.6 H45.2 O9.4 -","- C34 H42 O9 -","- C204 H252 O54 -","6","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.144","0.0987","","","0.2474","0.2724","","","","","","1.103","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225246","13.3213","0.0002","13.3213","0.0002","31.0721","0.0006","90","","90","","90","","5513.96","0.16","120","2","120","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate","","- C30 H38 O8 -","- C30 H38 O8 -","- C240 H304 O64 -","8","0.5","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0455","0.0451","","","0.1161","0.1168","","","","","","1.041","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225247","8.8058","0.0005","9.1775","0.0006","14.0128","0.0008","84.071","0.005","85.136","0.004","82.927","0.005","1114.83","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene ethyl acetate solvate","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0719","0.0622","","","0.176","0.1941","","","","","","1.042","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225248","23.2178","0.0016","25.566","0.002","10.7276","0.0007","90","","116.349","0.006","90","","5706.2","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate","","- C24.15 H20.15 Cl6.44 O6 -","- C23 H19 Cl3 O6 -","- C184 H152 Cl24 O48 -","8","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1144","0.0868","","","0.2545","0.2839","","","","","","1.046","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225249","13.1161","0.0004","11.8371","0.0003","24.858","0.0007","90","","97.306","0.003","90","","3828.03","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene hemihydratehemi-diethyl ether solvate","","- C24 H24 O5 -","- C24 H23 O5 -","- C192 H184 O40 -","8","2","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1069","0.0683","","","0.1783","0.206","","","","","","1.034","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225250","9.6831","0.0002","11.9425","0.0002","18.3518","0.0004","90","","90","","90","","2122.21","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene 1,4-dioxane solvate","","- C26 H26 O6 -","- C26 H26 O6 -","- C104 H104 O24 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0401","0.038","","","0.0974","0.0994","","","","","","1.055","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225251","8.7138","0.0004","14.7312","0.0007","15.9961","0.0008","90","","90","","90","","2053.34","0.17","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.0745","0.0534","","","0.1147","0.1247","","","","","","1.064","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225253","7.651","0.0015","21.538","0.004","12.283","0.003","90","","98.89","0.03","90","","1999.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Dy N5 O22 -","- C34 H26 Dy N5 O17 -","- C68 H52 Dy2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0743","0.0715","","","0.1849","0.1877","","","","","","1.084","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225254","7.6434","0.0015","21.477","0.004","12.246","0.002","90","","98.6","0.03","90","","1987.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Er N5 O22 -","- C34 H26 Er N5 O17 -","- C68 H52 Er2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0734","0.0693","","","0.1758","0.1794","","","","","","1.093","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225255","7.6624","0.0015","21.609","0.004","12.271","0.003","90","","98.79","0.03","90","","2007.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Gd N5 O22 -","- C34 H26 Gd N5 O17 -","- C68 H52 Gd2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0941","0.0838","","","0.2225","0.2311","","","","","","1.1","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225256","7.6418","0.0015","21.485","0.004","12.249","0.002","90","","98.71","0.03","90","","1987.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 N5 O22 Tm -","- C34 H27 N5 O17 Tm -","- C68 H54 N10 O34 Tm2 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0687","0.0665","","","0.1764","0.179","","","","","","1.099","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225257","5.0156","0.001","18.675","0.004","22.796","0.005","90","","95.41","0.03","90","","2125.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N3 O10 Tm -","- C20 H18 N3 O10 Tm -","- C80 H72 N12 O40 Tm4 -","4","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0453","0.0374","","","0.074","0.0774","","","","","","1.154","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225258","6.8757","0.0014","11.325","0.002","13.463","0.003","102.54","0.03","102.36","0.03","90.49","0.03","997.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Gd N3 O11 -","- C19 H18 Gd N3 O11 -","- C38 H36 Gd2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.023","0.0213","","","0.0562","0.0569","","","","","","1.063","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225259","6.9004","0.0014","11.235","0.002","13.381","0.003","102.47","0.03","101.76","0.03","90.56","0.03","990.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Er N3 O11 -","- C19 H18 Er N3 O11 -","- C38 H36 Er2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0535","0.044","","","0.0892","0.0931","","","","","","0.977","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225260","6.9043","0.0014","11.198","0.002","13.366","0.003","102.73","0.03","101.74","0.03","90.49","0.03","985.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 O11 Tm -","- C19 H18 N3 O11 Tm -","- C38 H36 N6 O22 Tm2 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0198","0.0179","","","0.0455","0.0459","","","","","","1.048","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225261","8.476","0.002","9.029","0.002","10.274","0.003","73.979","0.003","85.725","0.003","84.377","0.003","751.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cd Cl N6 O -","- C12 H10 Cd Cl N6 O -","- C24 H20 Cd2 Cl2 N12 O2 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0314","0.028","","","0.0696","0.072","","","","","","1.048","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225262","6.3373","0.0008","10.7022","0.0014","11.3187","0.0015","107.774","0.002","95.235","0.002","104.287","0.001","696.78","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N7 O3 -","- C12 H8 Cd N7 O3 -","- C24 H16 Cd2 N14 O6 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0302","0.0264","","","0.0597","0.0617","","","","","","1.058","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225263","10.5519","0.0014","12.7771","0.0017","11.4874","0.0015","90","","93.251","0.002","90","","1546.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cd N6 O3 -","- C14 H13 Cd N6 O3 -","- C56 H52 Cd4 N24 O12 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.042","0.0292","","","0.0629","0.069","","","","","","1.013","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225264","21.508","0.004","14.936","0.003","10.109","0.002","90","","95.266","0.002","90","","3233.7","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd3 N24 -","- C24 H16 Cd3 N24 -","- C96 H64 Cd12 N96 -","4","0.5","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.051","0.0366","","","0.096","0.106","","","","","","1.045","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225265","24.09","0.002","14.7011","0.0014","20.418","0.002","90","","122.311","0.001","90","","6111.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd2 N14 O7 -","- C25 H20 Cd2 N14 O7 -","- C200 H160 Cd16 N112 O56 -","8","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0546","0.0326","","","0.069","0.0795","","","","","","1.03","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225266","13.076","0.008","12.914","0.008","11.69","0.007","90","","104.749","0.008","90","","1909","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cd2 N12 O2 -","- C14 H11 Cd2 N12 O2 -","- C56 H44 Cd8 N48 O8 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0559","0.0358","","","0.068","0.0764","","","","","","1.078","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225280","12.9417","0.0002","21.8435","0.0003","15.0559","0.0002","90","","94.18","0.0013","90","","4244.86","0.1","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu1.5 H24.5 O52.25 P W12 -","- Cu1.5 O52.25 P W12 -","- Cu6 O209 P4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.036","0.0291","","","0.0635","0.0656","","","","","","1.167","","","","has coordinates,has disorder","185267","2020-10-21","18:00:00",""
"7225281","12.9789","0.0006","22.2778","0.001","15.469","0.0005","90","","94.527","0.004","90","","4458.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0505","0.0373","","","0.0888","0.0969","","","","","","1.081","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225282","12.8897","0.0004","14.007","0.0005","15.3382","0.0004","63.169","0.003","71.079","0.003","63.827","0.003","2190.49","0.14","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu4 O112 Si2 W24 -","2","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.031","0.0266","","","0.0576","0.059","","","","","","1.154","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225283","12.901","0.0003","22.1952","0.0004","15.3468","0.0003","90","","94.432","0.002","90","","4381.27","0.16","123.7","0.6","123.7","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0353","0.0276","","","0.0553","0.0575","","","","","","1.106","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225284","12.795","0.003","17.242","0.004","16.094","0.004","90","","111.687","0.004","90","","3299.2","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 Mo8 N16 O26 -","- C48 H40 Cu2 Mo8 N16 O26 -","- C96 H80 Cu4 Mo16 N32 O52 -","2","0.5","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0614","0.0385","","","0.0871","0.0973","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225285","16.2672","0.0018","12.932","0.0016","13.5101","0.0016","90","","107.112","0.002","90","","2716.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu Mo N4 O4 -","- C12 H10 Cu Mo N4 O4 -","- C96 H80 Cu8 Mo8 N32 O32 -","8","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0666","0.0595","","","0.1596","0.1684","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225286","11.833","0.003","13.247","0.003","13.648","0.003","90","","103.555","0.003","90","","2079.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu Mo4 N4 O14 -","- C12 H10 Cu Mo4 N4 O14 -","- C48 H40 Cu4 Mo16 N16 O56 -","4","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0603","0.0532","","","0.1484","0.1546","","","","","","0.996","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225287","6.2723","0.0012","6.2723","0.0012","6.2723","0.0012","90","","90","","90","","246.76","0.08","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","CH3NH3PbI3","","- C H6 I3 N Pb -","- C I3 N Pb -","- C I3 N Pb -","1","0.0208333","","Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua","Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability","CrystEngComm","2016","18","28","5257","","10.1039/C6CE00375C","","","0.71073","MoKα","","0.0433","0.0418","","","0.1016","0.1036","","","","","","1.2","","","","has coordinates","185272","2020-10-21","18:00:00",""
"7225302","14.7021","0.0011","7.1057","0.0008","9.676","0.0007","90","","90","","90","","1010.84","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.024","0.0189","","","0.0464","0.0475","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225303","14.7044","0.0011","7.1209","0.0008","9.6716","0.0007","90","","90","","90","","1012.7","0.16","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0245","0.0198","","","0.0481","0.0491","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225304","14.7115","0.0011","7.1415","0.0008","9.6639","0.0007","90","","90","","90","","1015.31","0.16","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0253","0.0203","","","0.0508","0.0519","","","","","","1.024","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225305","14.7211","0.0011","7.1625","0.0008","9.6562","0.0007","90","","90","","90","","1018.15","0.16","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0261","0.0209","","","0.051","0.0523","","","","","","1.034","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225306","14.7279","0.0011","7.1809","0.0008","9.6504","0.0007","90","","90","","90","","1020.62","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0263","0.0211","","","0.0519","0.053","","","","","","1.041","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225307","14.739","0.0011","7.2001","0.0008","9.6461","0.0007","90","","90","","90","","1023.67","0.16","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0273","0.0218","","","0.0522","0.0536","","","","","","1.065","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225308","14.736","0.002","7.222","0.0011","9.6239","0.0013","90","","90","","90","","1024.2","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0313","0.0262","","","0.0603","0.0625","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225309","14.755","0.002","7.2394","0.0011","9.6181","0.0013","90","","90","","90","","1027.4","0.3","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0324","0.0268","","","0.0613","0.0638","","","","","","1.099","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225310","14.77","0.002","7.254","0.0011","9.6152","0.0013","90","","90","","90","","1030.2","0.3","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0329","0.0273","","","0.0632","0.0658","","","","","","1.076","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225311","14.787","0.002","7.2696","0.0011","9.6113","0.0013","90","","90","","90","","1033.2","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0339","0.0272","","","0.0638","0.0663","","","","","","1.081","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225312","14.804","0.002","7.2851","0.0011","9.6112","0.0014","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0342","0.0268","","","0.0619","0.0647","","","","","","1.084","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225313","14.815","0.002","7.2951","0.0011","9.6129","0.0013","90","","90","","90","","1038.9","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0326","0.0266","","","0.0608","0.0631","","","","","","1.123","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225314","14.825","0.002","7.3004","0.0011","9.6126","0.0014","90","","90","","90","","1040.4","0.3","313","2","313","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0334","0.0268","","","0.0624","0.0647","","","","","","1.125","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225315","14.832","0.002","7.3084","0.0011","9.6102","0.0014","90","","90","","90","","1041.7","0.3","323","2","323","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0345","0.0273","","","0.0635","0.0661","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225316","14.841","0.002","7.3153","0.0011","9.61","0.0013","90","","90","","90","","1043.3","0.3","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0341","0.0282","","","0.0651","0.0673","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225317","14.851","0.002","7.3236","0.0011","9.609","0.0013","90","","90","","90","","1045.1","0.3","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0355","0.0282","","","0.0643","0.0671","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225318","14.86","0.002","7.3294","0.0011","9.6098","0.0014","90","","90","","90","","1046.7","0.3","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0359","0.029","","","0.0645","0.067","","","","","","1.094","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225319","14.872","0.002","7.3394","0.0011","9.6071","0.0014","90","","90","","90","","1048.6","0.3","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0356","0.028","","","0.0631","0.0663","","","","","","1.056","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225320","14.877","0.002","7.3463","0.0012","9.6072","0.0014","90","","90","","90","","1050","0.3","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0377","0.0288","","","0.0643","0.0679","","","","","","1.058","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225321","14.881","0.002","7.3506","0.0012","9.6096","0.0014","90","","90","","90","","1051.1","0.3","383","2","383","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.037","0.0288","","","0.0658","0.0689","","","","","","1.053","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225322","14.896","0.003","7.3587","0.0015","9.6062","0.0017","90","","90","","90","","1053","0.4","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0375","0.0287","","","0.0637","0.067","","","","","","1.074","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225330","11.8182","0.0014","12.3712","0.0013","18.764","0.002","90","","90","","90","","2743.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O6 -","- C27 H33 N7 O6 -","- C108 H132 N28 O24 -","4","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2251","0.1122","","","0.2715","0.3493","","","","","","1.194","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225331","14.3519","0.0009","21.1721","0.0013","21.6903","0.0012","90","","90","","90","","6590.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C216 H288 Cl24 N56 O48 -","8","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.067","0.0505","","","0.1341","0.1481","","","","","","0.994","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225332","15.3493","0.0011","15.4384","0.0013","21.013","0.0016","84.839","0.006","75.566","0.005","61.549","0.005","4237.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H103 N17 O35 S3 -","- C60 H80 N16 O34 S3 -","- C120 H160 N32 O68 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1012","0.0749","","","0.2137","0.2383","","","","","","0.895","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225333","15.1064","0.0003","15.1064","0.0003","12.4344","0.0005","90","","90","","120","","2457.41","0.12","298","2","298","2","","","","","","","","5","R 3","R 3","146","","","","- C27 H36 Br3 F7 N4 -","- C27 H36 Br3 F7 N4 -","- C81 H108 Br9 F21 N12 -","3","","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.0937","0.0514","","","0.1164","0.1319","","","","","","0.891","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225334","15.3545","0.0017","15.5993","0.0018","21.362","0.002","83.354","0.006","72.763","0.006","62.704","0.006","4341.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H116 Br6 N12 O24 S3 -","- C57 H79 Br6 N9 O21 S3 -","- C114 H158 Br12 N18 O42 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2168","0.0843","","","0.2171","0.254","","","","","","0.837","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225335","7.86","0.0006","11.1738","0.001","19.087","0.0017","77.214","0.006","85.475","0.005","75.105","0.006","1579.4","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C54 H72 Cl6 N14 O12 -","2","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1279","0.0825","","","0.1866","0.2112","","","","","","0.989","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225347","42.3668","0.0002","42.3668","0.0002","42.3668","0.0002","90","","90","","90","","76046.1","0.6","100","0.11","100","0.11","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 Ni O8 S2 -","- C46 H44 N4 Ni O8 S2 -","- C2208 H2112 N192 Ni48 O384 S96 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.54184","CuKα","","0.1033","0.0869","","","0.2801","0.3084","","","","","","1.051","","","","has coordinates","185269","2020-10-21","18:00:00",""
"7225348","42.559","0.0002","42.559","0.0002","42.559","0.0002","90","","90","","90","","77085.8","0.6","100","0.1","100","0.1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 O9 S2 Zn -","- C46 H44 N4 O9 S2 Zn -","- C2208 H2112 N192 O432 S96 Zn48 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.5418","CuKα","","0.1027","0.0716","","","0.2056","0.2479","","","","","","1.039","","","","has coordinates,has disorder","185269","2020-10-21","18:00:00",""
"7225358","7.768","0.0016","9.1578","0.0018","10.466","0.002","90.77","0.03","98.75","0.03","95.52","0.03","732.2","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 Cu N3 O S -","- C13 H13 Cl2 Cu N3 O S -","- C26 H26 Cl4 Cu2 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.1007","0.0864","","","0.2365","0.2519","","","","","","1.036","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225359","12.6428","0.0003","9.0531","0.0002","15.2733","0.0004","90","","99.138","0.01","90","","1725.94","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C56 H52 Cu2 F12 N12 O16 S8 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0594","0.0391","","","0.0981","0.1084","","","","","","1.02","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225360","6.6282","0.0003","10.3741","0.0005","11.1178","0.0005","96.7","0.01","92.305","0.01","99.927","0.01","746.47","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 B F4 N3 O S -","- C13 H14 B F4 N3 O S -","- C26 H28 B2 F8 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0854","0.0479","","","0.1152","0.1324","","","","","","1.099","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225361","8.2365","0.0003","9.636","0.0003","11.5943","0.0004","110.59","0.02","97","0.02","103.85","0.02","814.6","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0804","0.0641","","","0.1579","0.1662","","","","","","0.874","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225362","8.9556","0.0003","21.6859","0.0009","7.1433","0.0004","90","","98.9","0.01","90","","1370.6","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N8 O8 S2 -","- C26 H26 Cu N8 O8 S2 -","- C52 H52 Cu2 N16 O16 S4 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0691","0.0405","","","0.0938","0.1069","","","","","","1.063","","","","has coordinates,has disorder","185268","2020-10-21","18:00:00",""
"7225363","7.8394","0.0016","8.192","0.0016","12.372","0.003","104.4","0.03","92.42","0.03","116.28","0.03","679.3","0.4","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.0337","0.0268","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225364","4.2277","0.0002","11.0881","0.0008","14.3608","0.0012","90","","95.224","0.005","90","","670.4","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H I S3 -","- C3 H I S3 -","- C12 H4 I4 S12 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.1504","0.0814","","","0.235","0.3345","","","","","","1.401","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225365","4.2308","0.0008","28.57","0.006","15.756","0.003","90","","95.7","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C7 I4.67 S7 -","- C6.9999 I4.6667 S6.9999 -","- C27.9996 I18.6668 S27.9996 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0629","0.0354","","","0.0687","0.079","","","","","","1.102","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225366","7.9979","0.0003","8.1038","0.0003","14.8354","0.0005","90","","96.761","0.001","90","","954.85","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","3-ethyl-4,5-diiodothiazole-2(3H)-thione","","- C5 H5 I2 N S2 -","- C5 H5 I2 N S2 -","- C20 H20 I8 N4 S8 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0332","0.0309","","","0.0753","0.0767","","","","","","1.104","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225367","6.9028","0.0013","15.231","0.003","8.4906","0.0016","90","","108.101","0.006","90","","848.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","3-ethyl-5-iodothiazole-2-thione","","- C5 H6 I N S2 -","- C5 H6 I N S2 -","- C20 H24 I4 N4 S8 -","4","2","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0715","0.072","","","","","","1.143","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225368","12.8328","0.0012","16.1439","0.0015","16.2738","0.0015","84.645","0.002","79.837","0.002","69.372","0.002","3104","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 N3 Ni3 O22.5 -","- C56 H34 Ni3 O22.5 -","- C112 H68 Ni6 O45 -","2","1","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71073","MoKα","","0.0806","0.0519","","","0.1228","0.1347","","","","","","0.997","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225369","13.8441","0.0006","17.6855","0.0007","21.1859","0.0008","90","","91.435","0.004","90","","5185.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Co3 O25 -","- C56 H42 Co3 O25 -","- C224 H168 Co12 O100 -","4","0.5","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71","MoKα","","0.1039","0.0566","","","0.105","0.1245","","","","","","1.017","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225370","19.0949","0.0019","9.2904","0.0009","17.9875","0.0019","90","","110.543","0.005","90","","2988.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0984","0.0629","","","0.176","0.2424","","","","","","1.632","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225371","17.9195","0.0015","9.1323","0.0008","18.7653","0.0015","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0297","0.027","","","0.0635","0.0651","","","","","","1.052","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225372","14.204","0.003","8.573","0.002","8.3934","0.0019","90","","91.851","0.013","90","","1021.5","0.4","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Diaminobenzene+lawsone","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.25","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.1261","0.0982","","","0.2413","0.2574","","","","","","1.134","","","","has coordinates,has disorder","185273","2020-10-21","18:00:00",""
"7225373","9.1366","0.0007","6.2639","0.0006","20.6631","0.0016","90","","94.489","0.005","90","","1178.94","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diaminobenzene+sebacic acid","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0796","0.0722","","","0.1854","0.1891","","","","","","1.213","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225374","3.9902","0.0002","17.052","0.0009","23.5518","0.0012","90","","90","","90","","1602.49","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diaminobenzene+trimesic acid+methanol","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0334","0.0298","","","0.0716","0.0742","","","","","","1.059","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225375","7.3698","0.0003","21.6379","0.0012","14.5584","0.0007","90","","102.509","0.004","90","","2266.47","0.19","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C88 H56 Cl8 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0374","0.0272","","","0.0583","0.0614","","","","","","1.034","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225376","7.4264","0.0004","21.7744","0.0014","14.5258","0.0008","90","","102.97","0.005","90","","2289","0.2","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C88 H56 Br4 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0713","0.0545","","","0.1342","0.1448","","","","","","1.039","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225377","16.2788","0.0013","7.0245","0.0007","21.716","0.002","90","","98.966","0.007","90","","2452.9","0.4","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C96 H60 Cl4 F12 N12 O12 Pt4 S8 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0403","0.0288","","","0.0631","0.0673","","","","","","1.041","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225378","10.325","0.008","11.063","0.003","6.087","0.001","90","","90","","90","","695.3","0.6","295","2","295","2","360000","","360000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.126","0.1066","","","0.3214","0.3494","","","","","","1.175","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225379","10.21","0.007","11.039","0.003","6.0415","0.0009","90","","90","","90","","680.9","0.5","295","2","295","2","450000","","450000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.1147","0.0997","","","0.3005","0.3193","","","","","","1.095","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225380","9.5458","0.0006","11.3671","0.0006","6.4745","0.0004","90","","111.126","0.007","90","","655.32","0.07","85","0.5","85","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0295","0.0275","","","0.0729","0.0739","","","","","","1.032","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225381","9.742","0.0009","11.5821","0.0008","6.5192","0.0006","90","","111.347","0.01","90","","685.11","0.11","230","0.1","230","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0441","0.0393","","","0.1079","0.1114","","","","","","1.076","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225382","9.519","0.0017","11.3199","0.0004","6.393","0.003","90","","111.78","0.03","90","","639.7","0.3","295","2","295","2","760000","","760000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0501","0.0409","","","0.1115","0.1152","","","","","","1.163","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225383","9.4194","0.0009","11.22","0.0003","6.379","0.004","90","","111.75","0.03","90","","626.2","0.4","295","2","295","2","1000000","","1000000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0305","0.0282","","","0.0732","0.0745","","","","","","1.097","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225384","4.7832","0.0005","12.0775","0.0004","16.3371","0.0005","90","","92.226","0.003","90","","943.07","0.11","290","","290","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine monohydrate","2-Methyl-4-quinolinamine","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J.","4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form","CrystEngComm","2016","18","22","4053","","10.1039/C5CE01758K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.0966","3.71","","","","","","","has coordinates","183192","2020-10-21","18:00:00",""
"7225385","10.2536","0.0002","19.8774","0.0004","14.8763","0.0007","90","","90","","90","","3032.01","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C120 H136 Cu4 N16 O32 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0643","0.0454","","","0.1215","0.132","","","","","","1.051","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225386","9.4","0.0002","19.5102","0.0003","14.7022","0.0002","90","","90","","90","","2696.32","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O12 -","- C21 H16 Cu N4 O12 -","- C84 H64 Cu4 N16 O48 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0427","0.0354","","","0.0954","0.0996","","","","","","1.11","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225387","14.6652","0.0004","8.6882","0.0003","26.0272","0.0008","90","","90","","90","","3316.23","0.18","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1105","0.0723","","","0.1949","0.2471","","","","","","1.018","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225388","14.6606","0.0018","8.689","0.0012","25.95","0.004","90","","90","","90","","3305.7","0.8","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1301","0.0648","","","0.1692","0.217","","","","","","0.912","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225397","10.2257","0.0002","12.3002","0.0002","19.2829","0.0003","77.153","0.001","77.761","0.001","72.052","0.001","2222.51","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Ag3 Co N10 O11 -","- C42 H37 Ag3 Co N10 O11 -","- C84 H74 Ag6 Co2 N20 O22 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0877","0.0557","","","0.1432","0.1662","","","","","","1.044","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225398","11.527","0.004","11.527","0.004","19.263","0.014","90","","90","","90","","2560","2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H17 Co0.25 N2.25 O -","- C14 H17 Co0.25 N2.25 O -","- C112 H136 Co2 N18 O8 -","8","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0683","0.0524","","","0.1433","0.1604","","","","","","1.028","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225399","11.595","0.005","13.528","0.005","13.555","0.005","88.726","0.005","83.438","0.005","77.73","0.005","2064","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Ag Co N9 O9 -","- C42 H45 Ag Co N9 O9 -","- C84 H90 Ag2 Co2 N18 O18 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.1047","0.0808","","","0.2241","0.244","","","","","","1.092","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225400","12.288","0.003","16.136","0.004","18.416","0.005","90","","98.103","0.01","90","","3615.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Ag Co N8 O5 -","- C40 H34 Ag Co N8 O5 -","- C160 H136 Ag4 Co4 N32 O20 -","4","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0616","0.0375","","","0.0874","0.1007","","","","","","1.03","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225405","13.2688","0.0018","17.186","0.002","14.3147","0.0019","90","","103.795","0.002","90","","3170.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Ag4 B4 F16 O8 S4 -","- C54 H68 Ag4 B4 F16 O8 S4 -","- C108 H136 Ag8 B8 F32 O16 S8 -","2","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0463","0.0371","","","0.0991","0.1055","","","","","","1.014","","","","has coordinates","185266","2020-10-21","18:00:00",""
"7225406","19.608","0.002","11.9909","0.0013","22.223","0.002","90","","90","","90","","5225","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H52 Ag2 Cl2 O12 S4 -","- C50 H52 Ag2 Cl2 O12 S4 -","- C200 H208 Ag8 Cl8 O48 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0726","0.0517","","","0.123","0.136","","","","","","1.068","","","","has coordinates,has disorder","185266","2020-10-21","18:00:00",""
"7225407","15.4","0.002","17.15","0.003","35.343","0.006","90","","93.279","0.002","90","","9319","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 La2 N76 O94 -","- C120 H126 La2 N76 O94 -","- C240 H252 La4 N152 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1514","0.0911","","","0.247","0.2966","","","","","","1.026","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225408","12.3756","0.0018","32.47","0.005","15.176","0.002","90","","92.089","0.005","90","","6094.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 La N27 O32.5 -","- C40 H44 La N27 O32.5 -","- C160 H176 La4 N108 O130 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1034","0.0558","","","0.1325","0.1575","","","","","","1.029","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225409","22.4385","0.0018","12.4556","0.001","14.7421","0.0013","90","","114.782","0.002","90","","3740.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Dy N24 O20 -","- C40 H44 Cl3 Dy N24 O20 -","- C80 H88 Cl6 Dy2 N48 O40 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0426","0.0421","","","0.1233","0.1237","","","","","","1.141","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225410","22.434","0.005","12.421","0.003","14.859","0.003","90","","115.105","0.007","90","","3749.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Ho N24 O22 -","- C40 H44 Cl3 Ho N24 O22 -","- C80 H88 Cl6 Ho2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0457","0.0455","","","0.1306","0.131","","","","","","1.125","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225411","22.429","0.003","12.4151","0.0015","14.8727","0.0018","90","","115.035","0.004","90","","3752.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Er N24 O26 -","- C40 H40 Cl3 Er N24 O26 -","- C80 H80 Cl6 Er2 N48 O52 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0733","0.0729","","","0.219","0.2199","","","","","","1.228","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225412","22.438","0.003","12.3991","0.0018","14.869","0.002","90","","115.027","0.002","90","","3748.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tm -","- C40 H48 Cl3 N24 O20 Tm -","- C80 H96 Cl6 N48 O40 Tm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0737","0.0732","","","0.2265","0.2275","","","","","","1.23","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225413","22.429","0.01","12.394","0.006","14.895","0.007","90","","115.018","0.004","90","","3752","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Yb -","- C40 H48 Cl3 N24 O20 Yb -","- C80 H96 Cl6 N48 O40 Yb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0725","","","0.2252","0.2262","","","","","","1.248","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225414","22.372","0.005","12.33","0.003","14.778","0.003","90","","114.881","0.007","90","","3698.1","1.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Lu N24 O22 -","- C40 H48 Cl3 Lu N24 O22 -","- C80 H96 Cl6 Lu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0762","0.0742","","","0.2233","0.2261","","","","","","1.194","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225415","15.375","0.004","17.143","0.004","35.259","0.009","90","","93.376","0.003","90","","9277","4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2'","","","- C120 H132 Ce2 N76 O64 -","- C120 H132 Ce2 N76 O64 -","- C240 H264 Ce4 N152 O128 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0939","0.057","","","0.1329","0.1473","","","","","","0.929","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225416","12.322","0.002","32.346","0.006","15.145","0.003","90","","92.505","0.002","90","","6030.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Ce N27 O33 -","- C40 H44 Ce N27 O33 -","- C160 H176 Ce4 N108 O132 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0754","0.0489","","","0.1241","0.1398","","","","","","1.028","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225417","25.508","0.017","10.756","0.007","14.224","0.009","90","","90","","90","","3903","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl3 N25 O21 Pr2 -","- C40 H44 Cl3 N25 O21 Pr2 -","- C80 H88 Cl6 N50 O42 Pr4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1043","0.0581","","","0.1643","0.2063","","","","","","0.949","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225418","15.507","0.008","17.145","0.009","35.161","0.019","90","","93.37","0.008","90","","9332","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N76 O56 Pr2 -","- C120 H132 N76 O56 Pr2 -","- C240 H264 N152 O112 Pr4 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0966","0.0505","","","0.1202","0.1394","","","","","","0.978","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225419","22.63","0.02","12.723","0.014","14.913","0.016","90","","116.085","0.01","90","","3856","7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O34 Pr -","- C40 H44 N24 O34 Pr -","- C80 H88 N48 O68 Pr2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0707","","","0.2198","0.2239","","","","","","1.153","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225420","25.819","0.015","10.779","0.006","14.304","0.008","90","","90","","90","","3981","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H46 Cl2 N26 Nd2 O30 -","- C40 H46 Cl2 N26 Nd2 O30.008 -","- C80 H92 Cl4 N52 Nd4 O60.016 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1303","0.0894","","","0.281","0.3194","","","","","","1.071","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225421","15.408","0.0017","17.0805","0.0019","35.289","0.004","90","","92.852","0.001","90","","9275.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 N78 Nd2 O94 -","- C120 H126 N78 Nd2 O94 -","- C240 H252 N156 Nd4 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.093","0.0728","","","0.2276","0.2487","","","","","","1.047","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225422","22.295","0.013","12.542","0.007","14.812","0.008","90","","116.125","0.006","90","","3719","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl0 N24 Nd O22 -","- C40 H44 N24 Nd O22 -","- C80 H88 N48 Nd2 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0347","0.0335","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225423","25.712","0.009","10.726","0.004","14.392","0.005","90","","90","","90","","3969","2","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl2 N26 O29 Sm2 -","- C40 H44 Cl2 N26 O29 Sm2 -","- C80 H88 Cl4 N52 O58 Sm4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0841","0.0665","","","0.2009","0.2159","","","","","","1.056","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225424","22.308","0.01","12.54","0.006","14.747","0.007","90","","115.685","0.004","90","","3718","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O20 Sm -","- C40 H46 N24 O20 Sm -","- C80 H92 N48 O40 Sm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0377","0.0354","","","0.0993","0.1017","","","","","","1.121","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225425","22.329","0.01","12.544","0.006","14.897","0.007","90","","116.15","0.005","90","","3745","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Eu N24 O22 -","- C40 H44 Eu N24 O22 -","- C80 H88 Eu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0641","0.0593","","","0.1666","0.1703","","","","","","1.088","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225426","22.397","0.003","12.4587","0.0016","14.729","0.002","90","","115.102","0.004","90","","3721.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Gd N24 O21 -","- C40 H48 Cl3 Gd N24 O21 -","- C80 H96 Cl6 Gd2 N48 O42 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0766","0.0736","","","0.224","0.228","","","","","","1.117","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225427","22.443","0.005","12.472","0.002","14.88","0.003","90","","115.094","0.007","90","","3771.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tb -","- C40 H48 Cl3.0002 N24 O20 Tb -","- C80 H96 Cl6.0004 N48 O40 Tb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0547","0.0541","","","0.1665","0.1671","","","","","","1.163","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225442","6.104","0.0005","8.9243","0.0008","12.0304","0.0014","90","","99.516","0.008","90","","646.33","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","","Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V.","Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide","CrystEngComm","2016","18","29","5423","","10.1039/C6CE00711B","","","0.81984","x-rays","","0.1033","0.0665","","","0.1878","0.2044","","","","","","1.178","","","","has coordinates","185259","2020-10-21","18:00:00",""
"7225443","11.6939","0.0008","15.2594","0.0014","15.931","0.0013","90","","90","","90","","2842.8","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 N4 Ni O4 P2 S5 -","- C20 H28 N4 Ni O4 P2 S5 -","- C80 H112 N16 Ni4 O16 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0438","0.0331","","","0.0817","0.0903","","","","","","0.86","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225444","11.728","0.002","14.435","0.003","18.657","0.004","104.4","0.03","103.02","0.03","101.92","0.03","2862.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh1465/ssg1554/208","","- C40 H56 N8 Ni2 O8 P4 S10 -","- C40 H56 N8 Ni2 O8 P4 S10 -","- C80 H112 N16 Ni4 O16 P8 S20 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.6893","synchrotron","","0.1277","0.0969","","","0.2445","0.2663","","","","","","1.137","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225445","6.8385","0.0002","12.0415","0.0003","22.6405","0.0004","101.922","0.002","97.35","0.002","93.086","0.002","1802.95","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 N4 Ni P2 S5 -","- C36 H28 N4 Ni P2 S5 -","- C72 H56 N8 Ni2 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0684","0.0407","","","0.1033","0.114","","","","","","0.964","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225446","12.8213","0.0003","7.2342","0.0002","19.1246","0.0003","90","","106.186","0.001","90","","1703.53","0.07","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","2007slh0908/189","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N3.984 Ni O4 P2 S5.016 -","- C56 H56 N7.968 Ni2 O8 P4 S10.032 -","2","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0459","0.0372","","","0.0741","0.0778","","","","","","1.04","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225447","16.542","0.003","7.489","0.002","20.642","0.006","90","","94.29","0.02","90","","2550","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0868","0.0492","","","0.1031","0.1164","","","","","","1.051","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225448","9.7075","0.0002","10.6736","0.0002","17.4582","0.0003","73.23","0.001","87.086","0.001","72.131","0.001","1647.02","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh0906/187","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N4 Ni O4 P2 S5 -","- C56 H56 N8 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0474","0.0361","","","0.0798","0.085","","","","","","1.038","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225449","26.52841","0.00017","25.85346","0.00016","7.00906","0.00005","90","","90","","90","","4807.17","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H44 N4 Ni P2 S5 -","- C50.014 H44.016 N4 Ni P2 S5 -","- C200.056 H176.064 N16 Ni4 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","1.54184","CuKα","","0.0886","0.0861","","","0.2236","0.2246","","","","","","1.211","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225450","14.0311","0.0013","14.9236","0.0013","12.846","0.0005","90","","113.786","0.005","90","","2461.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0739","0.0641","","","0.1917","0.1964","","","","","","1.161","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225451","8.3025","0.0003","13.6899","0.0006","15.9951","0.0007","90.908","0.003","99.985","0.003","104.369","0.003","1731.16","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 N5 O4 -","- C32 H51 N5 O4 -","- C64 H102 N10 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1527","0.0839","","","0.1765","0.2225","","","","","","1.098","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225452","20.7631","0.0008","8.2356","0.0003","21.9337","0.0008","90","","107.378","0.002","90","","3579.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 F N5 O4 -","- C32 H52 F N5 O4 -","- C128 H208 F4 N20 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1286","0.0707","","","0.1388","0.1613","","","","","","1.056","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225453","19.3315","0.0009","8.5518","0.0004","22.8978","0.001","90","","95.077","0.003","90","","3770.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl N5 O5 -","- C32 H54 Cl N5 O5 -","- C128 H216 Cl4 N20 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.2428","0.0688","","","0.1234","0.1632","","","","","","1.076","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225454","9.7527","0.001","13.1156","0.0014","13.1419","0.0014","96.951","0.001","107.563","0.001","98.293","0.001","1561.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C48 H48 Cl6 Cu6 Dy2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0387","0.0336","","","0.0804","0.0835","","","","","","1.047","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225455","9.7558","0.0013","13.1043","0.0017","13.1554","0.0017","97.247","0.002","98.245","0.002","107.215","0.002","1564.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Eu N3 O9 -","- C24 H22 Cl3 Cu3 Eu N3 O9 -","- C48 H44 Cl6 Cu6 Eu2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.049","","","0.1195","0.1285","","","","","","1.04","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225456","9.75","0.002","13.103","0.003","13.133","0.003","97.405","0.003","98.215","0.003","107.29","0.003","1559.3","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Gd N3 O9 -","- C24 H22 Cl3 Cu3 Gd N3 O9 -","- C48 H44 Cl6 Cu6 Gd2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0683","0.0561","","","0.1447","0.1547","","","","","","1.084","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225457","9.7468","0.0013","13.1256","0.0017","13.1381","0.0017","97.029","0.002","98.26","0.002","107.433","0.002","1562.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 N3 O9 Tb -","- C24 H22 Cl3 Cu3 N3 O9 Tb -","- C48 H44 Cl6 Cu6 N6 O18 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0512","0.0453","","","0.1154","0.12","","","","","","1.067","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225458","22.007","0.003","9.3047","0.0012","29.38","0.005","90","","110.486","0.001","90","","5635.6","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C192 H184 Cu8 Dy8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.041","0.0321","","","0.0792","0.0836","","","","","","1.036","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225459","21.998","0.002","9.2967","0.0009","29.381","0.004","90","","110.425","0.001","90","","5630.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Gd2 I2 N6 O17 -","- C48 H44 Cu2 Gd2 I2 N6 O17 -","- C192 H176 Cu8 Gd8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.033","0.0273","","","0.0639","0.0669","","","","","","1.015","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225460","22.069","0.004","9.2855","0.0015","29.444","0.005","90","","110.419","0.002","90","","5654.6","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C192 H184 Cu8 I8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0462","0.0316","","","0.0591","0.0639","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225461","21.9956","0.0015","9.2876","0.0006","29.387","0.003","90","","110.514","0.001","90","","5622.7","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C192 H184 Cu8 I8 N24 O68 Tb8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.053","0.0331","","","0.0586","0.0653","","","","","","0.994","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225462","22.078","0.002","9.3534","0.0009","28.855","0.004","90","","109.788","0.001","90","","5606.8","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu Eu N3 O9 -","- C24 H22 Br Cu Eu N3 O9 -","- C192 H176 Br8 Cu8 Eu8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0756","0.0476","","","0.1004","0.1144","","","","","","1.032","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225463","22.315","0.004","9.4268","0.0017","29.048","0.005","90","","110.025","0.002","90","","5741.1","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu La N3 O9 -","- C24 H22 Br Cu La N3 O9 -","- C192 H176 Br8 Cu8 La8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0854","0.0483","","","0.0999","0.1165","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225464","22.175","0.004","9.3814","0.0017","28.994","0.005","90","","110.156","0.002","90","","5662.3","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 Nd2 O17 -","- C48 H44 Br2 Cu2 N6 Nd2 O17 -","- C192 H176 Br8 Cu8 N24 Nd8 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0618","0.0409","","","0.0929","0.1025","","","","","","1.028","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225465","22.121","0.003","9.3741","0.0009","28.944","0.003","90","","110.003","0.002","90","","5639.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 O17 Sm2 -","- C48 H44 Br2 Cu2 N6 O17 Sm2 -","- C192 H176 Br8 Cu8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0421","0.0328","","","0.0748","0.0789","","","","","","1.033","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225466","8.1814","0.0011","8.2858","0.0011","18.974","0.003","86.452","0.003","84.078","0.002","79.676","0.002","1257.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Eu I2 N2 O10 -","- C17 H20 Cu2 Eu I2 N2 O10 -","- C34 H40 Cu4 Eu2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.0451","","","0.1008","0.1207","","","","","","1.069","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225467","8.161","0.003","8.25","0.003","18.961","0.006","86.444","0.007","83.969","0.006","79.622","0.006","1247.6","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Gd I2 N2 O10 -","- C17 H20 Cu2 Gd I2 N2 O10 -","- C34 H40 Cu4 Gd2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0958","0.0661","","","0.1541","0.1739","","","","","","0.954","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225468","8.2377","0.0017","8.366","0.0017","18.956","0.004","86.42","0.004","84.477","0.004","79.549","0.003","1277.4","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 I2 N2 Nd O10 -","- C17 H20 Cu2 I2 N2 Nd O10 -","- C34 H40 Cu4 I4 N4 Nd2 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0847","0.0621","","","0.1353","0.1451","","","","","","0.914","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225469","7.439","0.0017","7.797","0.002","21.617","0.005","86.532","0.004","87.711","0.004","65.178","0.004","1135.8","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C34 H32 Br4 Cu4 Gd2 N4 O16 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.1085","0.0667","","","0.1423","0.1738","","","","","","1.003","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225470","7.4069","0.0015","7.7788","0.0015","21.614","0.004","86.456","0.003","87.677","0.004","65.171","0.003","1127.9","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 N2 O8 Tb -","- C17 H14 Br2 Cu2 N2 O8 Tb -","- C34 H28 Br4 Cu4 N4 O16 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0939","0.0585","","","0.12","0.1387","","","","","","0.946","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225471","12.9013","0.0006","7.3232","0.0003","15.7261","0.0007","90","","113.248","0.005","90","","1365.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.054","0.0456","","","0.1215","0.131","","","","","","1.069","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225472","14.0621","0.0005","6.4884","0.0003","17.373","0.0007","90","","111.527","0.004","90","","1474.55","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5b","6-methoxy-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0479","0.0382","","","0.0987","0.1076","","","","","","1.04","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225473","5.17677","0.00017","9.5698","0.0003","30.6216","0.0009","90","","92.127","0.003","90","","1515.97","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5c","7-methoxy-3-(4-phenyl-1,2,3-triazol-1-yl)-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0689","0.0456","","","0.1057","0.1224","","","","","","1.037","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225474","11.7803","0.0004","19.8443","0.0006","7.6437","0.0002","90","","98.403","0.003","90","","1767.7","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5f","7-(diethylamino)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0612","0.0467","","","0.1259","0.141","","","","","","1.022","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225475","5.8032","0.0003","7.5652","0.0004","15.7517","0.0007","79.805","0.004","89.756","0.004","84.314","0.004","677.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5h","3-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H10 F N3 O2 -","- C17 H10 F N3 O2 -","- C34 H20 F2 N6 O4 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0591","0.0501","","","0.1349","0.1492","","","","","","1.047","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225476","5.8823","0.0004","7.5418","0.0004","18.0542","0.0008","78.784","0.004","83.537","0.004","83.826","0.005","777.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5j","3-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)-6-methoxy-2H-chromen-2-one","","- C18 H12 Cl N3 O3 -","- C18 H12 Cl N3 O3 -","- C36 H24 Cl2 N6 O6 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.048","0.0401","","","0.1097","0.1187","","","","","","1.0481","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225477","7.2786","0.0003","5.9228","0.0003","36.7067","0.0016","90","","90.466","0.005","90","","1582.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5k","7-methoxy-3-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0566","0.0424","","","0.1079","0.1178","","","","","","1.057","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225478","7.3822","0.0002","7.6039","0.0003","23.245","0.0008","90","","90","","90","","1304.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5l","3-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0653","0.05","","","0.1256","0.1371","","","","","","1.079","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225479","33.02","0.05","13.317","0.019","14.22","0.02","90","","101.739","0.015","90","","6122","15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu O8 -","- C21 H15 Eu O8 -","- C168 H120 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0886","0.0651","","","0.1721","0.1891","","","","","","1.019","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225480","33.13","0.02","13.572","0.008","14.049","0.009","90","","101.324","0.007","90","","6194","7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 O8 Tb -","- C21 H15 O8 Tb -","- C168 H120 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0496","0.0375","","","0.0807","0.0832","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225481","33.69","0.03","12.97","0.011","14.771","0.012","90","","101.572","0.009","90","","6323","9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 La O8 -","- C21 H15 La O8 -","- C168 H120 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0543","0.0406","","","0.0918","0.096","","","","","","1.03","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225482","42.142","0.015","14.065","0.005","13.87","0.005","90","","101.996","0.005","90","","8042","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 Eu O8 -","- C27 H19 Eu O8 -","- C216 H152 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.1276","0.1014","","","0.2569","0.2824","","","","","","0.994","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225483","42.145","0.007","14.296","0.003","13.771","0.002","90","","101.683","0.002","90","","8125","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 O8 Tb -","- C27 H19 O8 Tb -","- C216 H152 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0633","0.0461","","","0.1238","0.1277","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225484","13.9999","0.001","14.647","0.0011","42.04","0.003","90","","97.948","0.001","90","","8537.8","1.1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H19 La O8 -","- C27 H19 La O8 -","- C216 H152 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0748","0.0521","","","0.1314","0.1363","","","","","","1.076","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225485","24.799","0.018","13.263","0.01","14.971","0.011","90","","96.635","0.008","90","","4891","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 La O8 -","- C15 H11 La O8 -","- C120 H88 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.057","0.0448","","","0.1228","0.1331","","","","","","1.132","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225486","29.012","0.001","7.058","0.002","32.683","0.001","90","","105.991","0.003","90","","6433.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H90 N6 O18 -","- C66 H90 N6 O18 -","- C264 H360 N24 O72 -","4","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.0772","0.076","","","0.2002","0.2008","","","","","","1.191","","","","has coordinates","185203","2020-10-21","18:00:00",""
"7225487","11.91","0.01","14.88","0.01","16.83","0.01","70.96","0.02","87.15","0.01","71.42","0.02","2668","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57.5 H64 O15 -","- C57.5 H64 O15 -","- C115 H128 O30 -","2","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.1089","0.1056","","","0.268","0.2738","","","","","","1.096","","","","has coordinates,has disorder","185203","2020-10-21","18:00:00",""
"7225488","5.3288","0.0004","18.3034","0.0013","10.3561","0.0008","90","","94.819","0.007","90","","1006.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O3 -","- C9 H7 N5 O3 -","- C36 H28 N20 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1234","0.0696","","","0.1405","0.167","","","","","","0.999","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225489","5.8474","0.0012","21.04","0.004","7.5567","0.0018","90","","107.25","0.02","90","","887.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1607","0.0848","","","0.1722","0.1998","","","","","","1.043","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225490","19.9241","0.0013","19.9241","0.0013","5.1153","0.0005","90","","90","","90","","2030.6","0.3","298","2","298","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1008","0.0662","","","0.1117","0.1221","","","","","","1.115","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225491","3.7737","0.0014","14.259","0.005","8.993","0.003","90","","101.23","0.04","90","","474.6","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H7 Cl N4 O -","- C9 H7 Cl N4 O -","- C18 H14 Cl2 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0831","0.0727","","","0.1938","0.2008","","","","","","1.144","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225492","13.4933","0.0016","10.4263","0.0013","7.2548","0.0013","90","","93.731","0.013","90","","1018.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N4 O -","- C9 H7 Br N4 O -","- C36 H28 Br4 N16 O4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0704","0.0561","","","0.1464","0.1573","","","","","","1.091","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225493","11.7895","0.0005","11.7895","0.0005","17.6053","0.0008","90","","90","","120","","2119.17","0.16","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C81 H72 N36 O18 -","9","3","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0669","0.0455","","","0.101","0.1121","","","","","","1.005","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225494","8.7625","0.0006","5.8854","0.0004","11.0081","0.0012","90","","91.833","0.007","90","","567.41","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0618","0.052","","","0.1436","0.1587","","","","","","1.082","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225535","20.75","0.0015","7.916","0.0007","9.058","0.0005","90","","90","","90","","1487.84","0.19","330","1","330","2","","","","","","","Sigma","5","P n a 21","P 2c -2n","33","Tolbutamide form I^H^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.1044","0.0572","","","0.1439","0.1855","","","","","","1.05","","","","has coordinates,has disorder","185176","2020-10-21","18:00:00",""
"7225536","20.2133","0.0006","7.8233","0.0002","9.0717","0.0002","90","","90","","90","","1434.55","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0424","0.0399","","","0.113","0.1148","","","","","","1.042","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225537","19.7525","0.0003","7.7998","0.0001","9.0583","0.0001","90","","90","","90","","1395.57","0.03","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0277","0.0266","","","0.0714","0.0717","","","","","","1.097","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225538","19.4331","0.0003","7.801","0.0001","9.0277","0.0001","90","","90","","90","","1368.58","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0306","0.0277","","","0.0715","0.0724","","","","","","1.021","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225539","9.0256","0.0002","17.1443","0.0005","17.7904","0.0005","90","","94.268","0.003","90","","2745.21","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tolbutamide form II","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0948","0.0632","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225540","8.7461","0.0007","10.5696","0.0008","11.8018","0.0009","95.426","0.003","105.576","0.003","95.516","0.003","1037.78","0.14","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","1","0.5","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0285","0.0271","","","0.0782","0.0793","","","","","","1.114","","","","has coordinates,has disorder","185177","2020-10-21","18:00:00",""
"7225541","10.529","0.0004","11.3431","0.0004","18.5469","0.0008","90","","101.742","0.002","90","","2168.73","0.15","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cd N8 O8 -","- C17 H18 Cd N8 O8 -","- C68 H72 Cd4 N32 O32 -","4","1","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0409","0.0336","","","0.0755","0.0788","","","","","","1.068","","","","has coordinates","185177","2020-10-21","18:00:00",""
"7225542","9.216","0.0003","26.743","0.001","13.932","0.0005","90","","96.91","0.001","90","","3408.8","0.2","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C32 H48 Co N7 O6 -","- C128 H192 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1208","0.0854","","","0.1948","0.2107","","","","","","1.069","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225543","9.168","0.0006","26.964","0.002","14.024","0.0011","90","","97.328","0.002","90","","3438.5","0.4","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C31.3 H44 Co N7 O5.3 -","- C125.2 H176 Co4 N28 O21.2 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.153","0.0839","","","0.16","0.1922","","","","","","1.062","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225544","8.88","0.0005","12.2","0.0008","16.687","0.0011","109.096","0.002","95.643","0.002","103.792","0.002","1628.16","0.18","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1029","0.0569","","","0.1153","0.1328","","","","","","1.023","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225545","8.9","0.0008","12.216","0.0012","16.818","0.0015","109.239","0.003","94.666","0.003","104.585","0.003","1643.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1865","0.0773","","","0.1688","0.2183","","","","","","1.055","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225546","17.211","0.0005","7.562","0.0002","21.477","0.0005","90","","107.555","0.001","90","","2665.04","0.12","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24 H30 Co N7 O6 -","- C96 H120 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.045","0.0376","","","0.0987","0.1017","","","","","","1.086","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225547","17.083","0.0006","7.633","0.0003","21.527","0.0008","90","","108.711","0.001","90","","2658.65","0.17","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24.093 H30.124 Co N7.031 O6 -","- C96.372 H120.496 Co4 N28.124 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1228","0.1288","","","","","","1.099","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225548","7.962","0.0007","8.407","0.0006","18.899","0.0014","90","","94.566","0.002","90","","1261.02","0.17","173","2","173","2","","","101.3","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl Co N7 O5 -","- C23 H27 Cl Co N7 O5 -","- C46 H54 Cl2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1306","0.0639","","","0.1209","0.1644","","","","","","1.069","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225549","8.401","0.0005","13.093","0.0009","13.775","0.001","63.746","0.002","89.633","0.002","75.599","0.002","1306.78","0.15","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","","","","- C23 H27 Br Co N7 O5 -","- C23 H27 Br Co N7 O5 -","- C46 H54 Br2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1276","0.0533","","","0.1151","0.1605","","","","","","1.134","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225550","10.1677","0.0005","14.6615","0.0008","17.0409","0.0009","90","","106.069","0.001","90","","2441.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C112 H88 F24 S8 -","4","1","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0443","0.0399","","","0.0919","0.0941","","","","","","1.08","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225551","21.9703","0.0011","10.0662","0.0005","21.3","0.0011","90","","93.092","0.001","90","","4703.8","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C224 H176 F48 S16 -","8","2","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0554","0.0462","","","0.1006","0.1056","","","","","","1.116","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225552","10.7918","0.0003","13.7957","0.0005","20.5392","0.0005","83.691","0.003","87.739","0.002","86.459","0.003","3031.92","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.6 H131.2 Br11.2 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","1.5418","CuKα","","0.0884","0.069","","","0.1624","0.1759","","","","","","1.065","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225553","9.8061","0.0005","13.1997","0.0006","13.2846","0.0006","115.493","0.002","91.131","0.002","107.138","0.002","1461.62","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Cl4 N5 Pt -","- C31 H23 Cl4 N5 Pt -","- C62 H46 Cl8 N10 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0256","0.0206","","","0.0446","0.0461","","","","","","1.038","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225554","10.7179","0.0003","13.6861","0.0004","20.5784","0.0007","84.512","0.003","87.526","0.002","85.48","0.002","2993.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0648","0.0465","","","0.0945","0.1022","","","","","","1.109","","","","has coordinates,has disorder","185275","2020-10-21","18:00:00",""
"7225565","6.7184","0.0011","9.4772","0.0014","9.9727","0.0015","94.5","0.002","96.361","0.003","98.937","0.002","620.44","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 O7 Zn -","- C11 H5 O7 Zn -","- C22 H10 O14 Zn2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.1004","0.0688","","","0.2055","0.3005","","","","","","1.036","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225566","7.648","0.002","16.648","0.005","11.768","0.003","90","","115.798","0.013","90","","1349","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O5 Zn -","- C14 H12 N O5 Zn -","- C56 H48 N4 O20 Zn4 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0655","0.0416","","","0.1271","0.1851","","","","","","1.087","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225567","10.861","0.003","6.3914","0.0015","17.003","0.004","90","","105.828","0.004","90","","1135.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O14 Zn3 -","- C22 H12 O14 Zn3 -","- C44 H24 O28 Zn6 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0645","0.0472","","","0.2042","0.2375","","","","","","1.028","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225568","12.206","0.011","17.833","0.015","15.309","0.013","90","","111.229","0.014","90","","3106","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O15 Zn2 -","- C26 H19 N O10 Zn2 -","- C104 H76 N4 O40 Zn8 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0652","0.0527","","","0.1584","0.1698","","","","","","0.993","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225569","7.935","0.001","6.8376","0.0009","21.605","0.003","90","","105.871","0.004","90","","1127.5","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Cd O11 -","- C22 H10 Cd O11 -","- C44 H20 Cd2 O22 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0485","0.0354","","","0.1051","0.1396","","","","","","1.07","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225570","7.5857","0.001","12.7604","0.0017","11.2862","0.0016","90","","95.635","0.002","90","","1087.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 Cd2 O11 -","- C22 H10 Cd2 O11 -","- C44 H20 Cd4 O22 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0516","0.0422","","","0.1325","0.1824","","","","","","1.048","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225571","6.881","0.001","7.7133","0.0011","9.8423","0.0014","94.799","0.002","98.494","0.002","96.112","0.002","511.09","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 O5 Pb -","- C11 H5 O5 Pb -","- C22 H10 O10 Pb2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0723","0.0543","","","0.1571","0.2409","","","","","","1.065","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225572","11.248","0.002","12.241","0.002","12.431","0.003","102.219","0.006","92.044","0.007","109.964","0.006","1561.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0595","0.0519","","","0.1488","0.158","","","","","","1.064","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225573","11.2155","0.0019","12.436","0.002","12.44","0.002","102.507","0.008","91.252","0.008","110.743","0.008","1574.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0427","0.0374","","","0.1029","0.1088","","","","","","1.046","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225574","11.3694","0.0007","12.439","0.0007","12.4649","0.0008","102.276","0.003","110.249","0.003","92.234","0.003","1603.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0674","0.056","","","0.1288","0.1395","","","","","","1.131","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225575","11.5248","0.0006","15.4562","0.0009","18.8105","0.0011","91.181","0.003","98.392","0.003","107.518","0.003","3153.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Mn3 N12 O17.5 -","- C60 H66 Mn3 N12 O17.5 -","- C120 H132 Mn6 N24 O35 -","2","1","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.1276","0.0892","","","0.2335","0.2719","","","","","","1.058","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225581","12.0439","0.0008","13.194","0.0005","25.6543","0.001","102.364","0.003","93.086","0.005","90.337","0.004","3975.7","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 Cl3 I3 N4 O12 -","- C74 H116 Cl3 I3 N4 O12 -","- C148 H232 Cl6 I6 N8 O24 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1396","0.0909","","","0.2347","0.285","","","","","","1.029","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225582","12.2171","0.0003","13.1621","0.0003","25.6541","0.0006","77.8171","0.0019","86.247","0.002","89.7322","0.0018","4023.52","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H118.6 Br3 I3 N4 O12.8 -","- C74 H118.6 Br3 I3 N4 O12.8 -","- C148 H237.2 Br6 I6 N8 O25.6 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0946","0.0831","","","0.2289","0.2472","","","","","","1.035","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225583","15.0087","0.0004","27.3833","0.0005","16.3215","0.0004","90","","91.343","0.002","90","","6706.1","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H96 Br3 I3 N4 O10 -","- C58 H96 Br3 I3 N4 O10 -","- C232 H384 Br12 I12 N16 O40 -","4","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0994","0.0692","","","0.1935","0.2275","","","","","","1.016","","","","has coordinates","185180","2020-10-21","18:00:00",""
"7225584","12.3868","0.0002","12.3868","0.0002","36.9094","0.0011","90","","90","","90","","5663.1","0.2","123","0.1","123","0.1","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C88 H128 Br7 I5 N8 O24 -","- C88 H128 Br7 I5 N8 O24 -","- C176 H256 Br14 I10 N16 O48 -","2","","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1237","0.1135","","","0.3201","0.3311","","","","","","1.17","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225592","11.756","0.003","18.059","0.005","23.342","0.006","90","","104.947","0.012","90","","4788","2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd Cl2 N4 O4 -","- C40 H32 Cd Cl2 N4 O4 -","- C160 H128 Cd4 Cl8 N16 O16 -","4","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0663","0.0531","","","0.1588","0.1692","","","","","","0.97","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225593","27.982","0.008","12.703","0.004","16.341","0.005","90","","125.27","0.006","90","","4742","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd Cl2 N2 O2 -","- C20 H16 Cd Cl2 N2 O2 -","- C160 H128 Cd8 Cl16 N16 O16 -","8","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0626","0.0466","","","0.1352","0.1426","","","","","","0.959","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225594","15.3055","0.0002","6.43674","0.00009","19.516","0.0003","87.279","0.0011","95.5964","0.0017","98.7257","0.0018","1890.31","0.05","173","2","173","2","","","","","","","see text","4","P -1","-P 1","2","sodium benzoate form II","sodium benzoate form II","","- C7 H5 Na O2 -","- C7 H5 Na O2 -","- C84 H60 Na12 O24 -","12","6","","Martin, T. W.; Gorelik, T. E.; Greim, D.; Butterhof, C.; Kolb, U.; Senker, J.; Breu, J.","Microphase separation upon crystallization of small amphiphilic molecules: ‘low’ temperature form II of sodium benzoate (E 211)","CrystEngComm","2016","18","31","5811","","10.1039/C6CE01281G","powder diffraction","","1.54175","CuKα","","","","","","","","","0.0058","2.831","","","","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7225595","4.9955","0.0001","17.1031","0.0004","13.0176","0.0003","90","","100.38","0.002","90","","1094","0.04","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(F2_23 or 11-059)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0722","0.0438","","","0.0895","0.0988","","","","","","0.991","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225596","5.2115","0.0002","6.4193","0.0003","16.1911","0.0007","90","","97.894","0.004","90","","536.53","0.04","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(23_F2 or 10-015)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0492","0.0394","","","0.102","0.1061","","","","","","1.033","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225597","5.5268","0.0003","4.9905","0.0002","19.7058","0.0011","90","","90.665","0.005","90","","543.48","0.05","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(F2_24 or 11-051)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1116","0.0347","","","0.0428","0.0514","","","","","","0.767","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225598","5.425","0.0002","7.7256","0.0003","25.4216","0.0008","90","","92.708","0.003","90","","1064.26","0.07","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(24-F2 or 10-016)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.131","0.0477","","","0.0782","0.0941","","","","","","0.837","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225599","24.4897","0.0016","5.0316","0.0003","8.6187","0.0006","90","","90","","90","","1062.02","0.12","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(F2_25 or 11-034)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0665","0.0591","","","0.1595","0.1675","","","","","","1.07","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225600","5.185","0.0008","24.767","0.004","8.3089","0.0019","90","","90.206","0.017","90","","1067","0.3","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(25_F2 or 10-017)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1036","0.046","","","0.0844","0.0984","","","","","","0.82","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225601","11.0951","0.0003","12.1037","0.0003","16.9753","0.0003","90","","94.195","0.002","90","","2273.54","0.09","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_26 or 11-045)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C104 H72 F16 N8 O8 -","8","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.105","0.0628","","","0.1476","0.173","","","","","","1.027","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225602","10.1031","0.0018","21.838","0.003","4.8875","0.0006","90","","90","","90","","1078.3","0.3","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","","(26_F2 or 11-018)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0716","0.0336","","","0.0599","0.0667","","","","","","0.848","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225603","5.4841","0.0003","7.8068","0.0006","12.6875","0.0005","106.756","0.005","98.878","0.004","90.151","0.005","513.26","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(F2_34 or 11-036)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0463","0.0409","","","0.1122","0.1174","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225604","5.4519","0.0002","7.7415","0.0005","12.9335","0.0007","106.965","0.005","100.535","0.004","90.213","0.004","512.37","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(34_F2 or 10-019)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0412","0.0333","","","0.0955","0.0983","","","","","","1.064","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225605","10.3601","0.0002","5.1575","0.0001","20.2429","0.0004","90","","103.012","0.002","90","","1053.85","0.04","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_35 or 11-035)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0384","0.034","","","0.0868","0.09","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225606","5.1095","0.0001","9.4583","0.0004","22.2306","0.0008","90","","96.284","0.003","90","","1067.89","0.06","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(35_F2 or 10-021)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0771","0.0359","","","0.0813","0.0925","","","","","","0.857","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225607","10.377","0.005","10.954","0.005","13.394","0.005","81.382","0.005","86.711","0.005","63.095","0.005","1342.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N8 O6 Zn -","- C28 H20 N8 O6 Zn -","- C56 H40 N16 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0465","0.04","","","0.1075","0.1123","","","","","","1.042","","","","has coordinates,has disorder","185182","2020-10-21","18:00:00",""
"7225608","8.0366","0.0001","9.3162","0.0002","12.3132","0.0002","97.715","0.001","108.104","0.001","113.175","0.001","770.05","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O7 Zn -","- C15 H15 N2 O7 Zn -","- C30 H30 N4 O14 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0421","0.0377","","","0.1092","0.1124","","","","","","1.075","","","","has coordinates","185182","2020-10-21","18:00:00",""
"7225609","4.8563","0.0007","9.3274","0.0009","20.671","0.003","90","","103.494","0.011","90","","910.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0774","0.0341","","","0.08","0.0957","","","","","","0.87","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225610","4.8492","0.0008","9.3222","0.0011","20.646","0.003","90","","103.324","0.013","90","","908.2","0.2","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1","0.0351","","","0.0785","0.1048","","","","","","0.843","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225611","4.8433","0.0007","9.3162","0.001","20.618","0.003","90","","103.172","0.012","90","","905.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0952","0.0377","","","0.0865","0.1155","","","","","","0.9","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225612","4.8349","0.0007","9.3138","0.001","20.579","0.003","90","","103.032","0.012","90","","902.8","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0828","0.0358","","","0.0786","0.0964","","","","","","0.874","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225613","4.8273","0.0007","9.3086","0.0009","20.535","0.003","90","","102.85","0.011","90","","899.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0839","0.0357","","","0.0815","0.1034","","","","","","0.939","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225614","4.8221","0.0006","9.3052","0.0009","20.493","0.003","90","","102.666","0.01","90","","897.2","0.2","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0362","","","0.0863","0.116","","","","","","0.972","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225615","4.8165","0.0006","9.3035","0.0008","20.45","0.003","90","","102.5","0.01","90","","894.65","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0752","0.0354","","","0.0836","0.1057","","","","","","0.983","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225616","4.8107","0.0006","9.3013","0.0008","20.411","0.003","90","","102.337","0.01","90","","892.22","0.19","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0744","0.0378","","","0.0892","0.1116","","","","","","1.013","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225617","4.8067","0.0006","9.3033","0.0008","20.367","0.002","90","","102.159","0.01","90","","890.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0392","","","0.0982","0.1264","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225618","8.133","0.0011","11.3031","0.0013","23.884","0.004","90","","90","","90","","2195.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1025","0.0538","","","0.1338","0.1783","","","","","","0.943","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225619","8.1071","0.0011","11.3252","0.0012","23.827","0.004","90","","90","","90","","2187.7","0.5","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0807","0.0399","","","0.0884","0.1078","","","","","","0.923","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225620","8.0808","0.0011","11.3449","0.0012","23.766","0.004","90","","90","","90","","2178.8","0.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0804","0.0405","","","0.0944","0.1189","","","","","","0.984","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225621","8.0565","0.001","11.3647","0.0012","23.719","0.004","90","","90","","90","","2171.7","0.5","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0465","","","0.1129","0.1474","","","","","","0.997","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225622","8.0324","0.001","11.3875","0.0011","23.665","0.003","90","","90","","90","","2164.6","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0818","0.0491","","","0.124","0.1581","","","","","","1.019","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225623","8.0056","0.0009","11.4027","0.0011","23.615","0.003","90","","90","","90","","2155.7","0.4","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0864","0.0565","","","0.1477","0.1754","","","","","","1.016","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225624","7.9837","0.001","11.4209","0.0012","23.589","0.003","90","","90","","90","","2150.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0432","","","0.104","0.1174","","","","","","0.927","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225625","7.9621","0.001","11.4304","0.0013","23.548","0.004","90","","90","","90","","2143.1","0.5","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0759","0.0423","","","0.095","0.1066","","","","","","0.889","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225626","7.9445","0.0011","11.4431","0.0014","23.524","0.004","90","","90","","90","","2138.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0858","0.0458","","","0.1015","0.1151","","","","","","0.894","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225627","7.8988","0.0008","11.3424","0.0012","23.327","0.01","90","","90","","90","","2089.9","0.9","293","2","293","2","500000","","500000","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1999","0.0775","","","0.1747","0.2431","","","","","","1.021","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225628","4.8316","0.0003","9.291","0.002","20.4354","0.0015","90","","102.972","0.006","90","","893.9","0.2","293","2","293","2","100000","","100000","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.132","0.0619","","","0.1419","0.1915","","","","","","0.93","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225629","4.854","0.0004","9.3349","0.0011","19.2555","0.0015","98.866","0.008","92.311","0.006","96.887","0.008","854.31","0.14","293","2","293","2","400000","","400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1605","0.1012","","","0.2496","0.2992","","","","","","1.057","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225630","4.8193","0.0003","9.2205","0.0012","18.9807","0.0013","99.01","0.008","93.373","0.006","96.474","0.008","825.2","0.13","293","2","293","2","1010000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1571","0.0995","","","0.2501","0.3045","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225631","4.8011","0.0003","9.1664","0.0013","18.8557","0.0016","99.072","0.009","93.873","0.006","96.313","0.008","811.42","0.15","293","2","293","2","1480000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1395","0.0623","","","0.1306","0.1527","","","","","","0.91","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225632","4.7793","0.0003","9.0995","0.0012","18.7215","0.0016","99.175","0.008","94.392","0.006","96.158","0.008","795.48","0.14","293","2","293","2","1960000","","1960000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1325","0.0896","","","0.2193","0.2573","","","","","","1.03","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225633","4.7548","0.0003","9.0519","0.001","18.5909","0.0011","99.268","0.007","94.92","0.005","95.865","0.007","781.3","0.11","293","2","293","2","2460000","","2460000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1369","0.0653","","","0.1322","0.1525","","","","","","0.887","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225634","4.7294","0.0003","9.015","0.0012","18.4226","0.0014","99.561","0.008","95.475","0.006","94.927","0.008","766.86","0.13","293","2","293","2","3130000","","3130000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1382","0.0868","","","0.2096","0.2527","","","","","","1.043","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225635","4.7136","0.0003","8.9774","0.001","18.3305","0.0011","99.633","0.007","95.811","0.005","94.695","0.006","756.94","0.11","293","2","293","2","3570000","","3570000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1464","0.0943","","","0.2387","0.2875","","","","","","1.083","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225636","4.7036","0.0003","8.9504","0.0012","18.2696","0.0014","99.64","0.008","96.012","0.006","94.585","0.008","750.37","0.13","293","2","293","2","3980000","","3980000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1326","0.0829","","","0.2009","0.2423","","","","","","1.073","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225637","4.6911","0.0003","8.9235","0.0011","18.2045","0.0011","99.652","0.007","96.245","0.005","94.537","0.007","743.12","0.11","293","2","293","2","4400000","","4400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1233","0.079","","","0.197","0.2335","","","","","","1.045","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225638","4.6691","0.0003","8.8675","0.001","18.0795","0.0011","99.614","0.007","96.706","0.005","94.481","0.007","729.34","0.11","293","2","293","2","5310000","","5310000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1171","0.0709","","","0.1611","0.1964","","","","","","1.032","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225639","12.0457","0.001","24.685","0.002","13.3843","0.0011","90","","99.531","0.001","90","","3924.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H60 Eu3 N5 O22 -","- C82 H60 Eu3 N5 O22 -","- C164 H120 Eu6 N10 O44 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0692","0.0538","","","0.1245","0.1325","","","","","","1.069","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225640","12.008","0.0003","24.6141","0.0006","13.3586","0.0003","90","","99.442","0.002","90","","3894.86","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Tb3 -","- C87 H70 N6 O23 Tb3 -","- C174 H140 N12 O46 Tb6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71073","MoKα","","0.0443","0.0406","","","0.0878","0.0908","","","","","","1.014","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225641","12.0744","0.0003","24.653","0.0007","13.3768","0.0003","90","","99.52","0.002","90","","3927.04","0.17","295.06","0.1","295.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Sm3 -","- C87 H70 N6 O23 Sm3 -","- C174 H140 N12 O46 Sm6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.0474","0.0408","","","0.083","0.0883","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225642","11.9691","0.0003","24.5557","0.0007","13.3369","0.0004","90","","99.538","0.003","90","","3865.66","0.19","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Dy3 N6 O23 -","- C87 H70 Dy3 N6 O23 -","- C174 H140 Dy6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.033","0.031","","","0.0664","0.0678","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225643","12.0505","0.0012","24.708","0.003","13.4026","0.0013","90","","99.519","0.002","90","","3935.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Gd3 N6 O23 -","- C87 H70 Gd3 N6 O23 -","- C174 H140 Gd6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0576","0.0429","","","0.069","0.0753","","","","","","0.967","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225667","3.8653","0.0004","11.5522","0.0012","14.4711","0.0014","98.976","0.006","93.377","0.005","91.025","0.006","636.91","0.11","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0767","0.0457","","","0.0909","0.098","","","","","","1.019","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225668","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0295","0.0266","","","0.0813","0.0828","","","","","","1.063","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225669","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.021","0.017","","","","0.022","","","","","","1.33","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225670","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0763","0.0786","","","","","","1.039","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225671","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.022","0.016","","","","0.02","","","","","","1.204","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225672","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0399","0.0292","","","0.0592","0.0623","","","","","","1.055","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225673","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0515","0.0368","","","0.1018","0.1079","","","","","","1.035","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225674","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.056","0.029","","","","0.028","","","","","","1.447","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225675","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0372","0.0274","","","0.0816","0.0849","","","","","","1.047","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225676","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.032","0.019","","","","0.021","","","","","","1.131","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225677","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0524","0.0378","","","0.0891","0.0941","","","","","","1.103","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225678","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0303","0.0251","","","0.0816","0.0839","","","","","","1.056","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225679","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.023","0.015","","","","0.019","","","","","","1.171","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225680","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0799","0.083","","","","","","1.038","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225681","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.02","","","","","","1.088","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225682","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0409","0.0337","","","0.0779","0.0808","","","","","","1.106","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225683","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0557","0.0348","","","0.0939","0.1011","","","","","","1.017","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225684","7.14","0.005","9.29","0.005","14.774","0.005","90","0.005","94.463","0.005","90","0.005","977","0.9","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.06","0.028","","","","0.026","","","","","","1.155","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225685","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.1269","0.0888","","","0.223","0.2545","","","","","","0.989","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225686","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0509","0.0328","","","0.0909","0.0965","","","","","","1.02","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225687","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.051","0.027","","","","0.024","","","","","","1.094","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225688","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.1027","0.1065","","","","","","1.07","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225689","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.034","0.024","","","","0.033","","","","","","2.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225690","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.0891","0.0943","","","","","","1.032","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225691","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.043","0.026","","","","0.028","","","","","","1.575","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225692","7.9413","0.0003","8.901","0.0004","9.0838","0.0003","71.31","0.002","70.358","0.001","76.061","0.002","566.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0354","0.0289","","","0.0872","0.0903","","","","","","1.029","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225693","10.036","0.002","7.6591","0.0017","13.948","0.003","90","","99.62","0.014","90","","1057.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O6 -","- C20 H24 Cl2 N2 O6 -","- C40 H48 Cl4 N4 O12 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0668","0.0429","","","0.0909","0.0991","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225694","10.6104","0.0004","17.7659","0.0007","12.3211","0.0005","90","","108.681","0.001","90","","2200.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O7 -","- C20 H26 Cl2 N2 O7 -","- C80 H104 Cl8 N8 O28 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0438","0.0334","","","0.0962","0.1008","","","","","","1.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225695","8.0154","0.0003","9.3997","0.0003","11.8524","0.0005","71.632","0.002","88.044","0.002","86.436","0.002","845.75","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C32 H24 Cl6 N2 O12 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0452","0.0332","","","0.0775","0.0814","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225696","18.3393","0.0005","4.9542","0.0001","19.8433","0.0005","90","","110.869","0.001","90","","1684.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C64 H48 Cl12 N4 O24 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0267","0.0239","","","0.0644","0.0652","","","","","","1.064","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225697","8.4477","0.0003","10.5046","0.0003","18.2834","0.0004","99.084","0.0016","93.6611","0.0017","91.1015","0.0012","1598.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl5 N2 O10 -","- C29 H23 Cl5 N2 O10 -","- C58 H46 Cl10 N4 O20 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0583","0.0336","","","0.0816","0.0863","","","","","","1.05","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225698","11.7516","0.0011","11.5488","0.0012","15.4398","0.0015","90","","95.931","0.006","90","","2084.2","0.4","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl2 N O4 -","- C20 H25 Cl2 N O4 -","- C80 H100 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0791","0.0406","","","0.0862","0.1025","","","","","","1.026","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225699","20.1682","0.0002","20.1682","0.0002","20.1682","0.0002","90","","90","","90","","8203.54","0.14","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C60 H37.92 In8 N36 O55 -","- C60 H37.92 In8 N36 O55 -","- C120 H75.84 In16 N72 O110 -","2","0.0416667","","Guo, Xiao-Qing; Wang, Miao; Meng, Fei; Tang, Yan-Feng; Tian, Shu; Yang, Hua-Ling; Jiang, Guo-Qing; Zhu, Jin-Li","Rational design and synthesis of an amino-functionalized hydrogen-bonded network with an ACO zeolite-like topology for gas storage","CrystEngComm","2016","18","30","5616","","10.1039/C6CE01164K","","","0.71073","MoKα","","0.0974","0.0912","","","0.2921","0.3045","","","","","","1.384","","","","has coordinates","185185","2020-10-21","18:00:00",""
"7225700","6.5991","0.0007","6.9097","0.0007","8.2602","0.0009","109.839","0.01","95.545","0.009","94.714","0.008","349.97","0.07","","","293.2","","","","","","","","","5","P 1","P 1","1","","1,5,3-dithiazepan-3-ol","","- C2.667 H6 N0.667 O0.667 S1.333 -","- C2.66667 H6 N0.666667 O0.666667 S1.33333 -","- C8 H18 N2 O2 S4 -","3","3","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.7107","MoKα","","0.044094","0.035372","","","","0.1103","","","","","","1.10693","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225701","6.4993","0.0006","8.663","0.0006","8.5034","0.0005","90","","104.738","0.007","90","","463.02","0.06","200","2","200.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C14 H26 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0396","0.0381","","","0.1086","0.1108","","","","","","1.108","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225702","6.58182","0.00017","16.4019","0.0004","11.5843","0.0004","90","","98.923","0.003","90","","1235.44","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C8 H17 N O3 S3 -","- C8 H17 N O3 S3 -","- C32 H68 N4 O12 S12 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0374","0.0318","","","0.0736","0.0762","","","","","","1.067","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225703","10.5874","0.0004","10.2833","0.0003","25.2185","0.001","90","","90","","90","","2745.62","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(1,5,3-dithiazepan-3-yl)-2-phenylpropanoic acid","","- C13 H17 N O2 S2 -","- C13 H17 N O2 S2 -","- C104 H136 N8 O16 S16 -","8","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0558","0.0464","","","0.1113","0.1176","","","","","","1.11","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225704","10.6926","0.0006","10.9871","0.0007","21.4364","0.0015","90","","90","","90","","2518.4","0.3","200.19","0.1","200.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-4-methylpentanoic acid","","- C10 H19 N O2 S2 -","- C10 H19 N O2 S2 -","- C80 H152 N8 O16 S16 -","8","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0781","0.0602","","","0.1102","0.1211","","","","","","1.012","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225705","5.0968","0.0003","6.7869","0.0003","16.636","0.001","78.801","0.005","87.344","0.005","69.141","0.005","527.34","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(1,5,3-dithiazepan-3-yl)butanoic acid","","- C8 H15 N O2 S2 -","- C8 H15 N O2 S2 -","- C16 H30 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.7107","MoKα","","0.0466","0.0384","","","0.119","0.1328","","","","","","0.943","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225706","6.8616","0.0011","8.8688","0.0008","8.9458","0.001","66.923","0.01","70.122","0.013","85.373","0.01","470.12","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid","","- C7 H13 N O3 S2 -","- C7 H13 N O3 S2 -","- C14 H26 N2 O6 S4 -","2","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.71073","","","0.0524","0.0467","","","0.1122","0.1182","","","","","","0.864","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225707","4.9212","0.0005","30.519","0.002","6.7336","0.0004","90","","103.709","0.008","90","","982.51","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H12 N O2 S2 -","- C7 H12 N O2 S2 -","- C28 H48 N4 O8 S8 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0678","0.0536","","","0.1348","0.1448","","","","","","1.057","","","","has coordinates,has disorder","185186","2020-10-21","18:00:00",""
"7225708","6.6882","0.0003","8.6039","0.0004","8.0793","0.0004","90","","94.507","0.005","90","","463.48","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C6 H13 N O3 S2 -","- C6 H13 N O3 S2 -","- C12 H26 N2 O6 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0313","0.0303","","","0.0865","0.0888","","","","","","0.853","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225711","35.116","0.002","7.7402","0.0005","9.1539","0.0005","90","","90","","90","","2488.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Namespetra, Andrew M.; Hirsh, David A.; Hildebrand, Marcel P.; Sandre, Anthony R.; Hamaed, Hiyam; Rawson, Jeremy M.; Schurko, Robert W.","35Cl solid-state NMR spectroscopy of HCl pharmaceuticals and their polymorphs in bulk and dosage forms","CrystEngComm","2016","18","33","6213","","10.1039/C6CE01069E","","","0.71073","MoKα","","0.0585","0.0577","","","0.1075","0.1078","","","","","","1.452","","","","has coordinates","190385","2020-10-21","18:00:00",""
"7225712","5.964","0.002","20.098","0.008","14.385","0.008","90","","99.25","0.05","90","","1701.8","1.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8.018 H20.054 Br4 N Sb -","- C32.072 H80.216 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0663","0.046","","","0.1133","0.121","","","","","","0.915","","","","has coordinates,has disorder","186362","2020-10-21","18:00:00",""
"7225713","6.046","0.002","18.186","0.003","14.839","0.003","90","","96.32","0.02","90","","1621.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8 H20 Br4 N Sb -","- C32 H80 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0511","0.0325","","","0.0724","0.0752","","","","","","1.007","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225714","5.79","0.002","19.485","0.003","14.275","0.003","90","","101.28","0.03","90","","1579.4","0.7","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0728","0.0343","","","0.0589","0.0645","","","","","","0.822","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225715","5.75","0.002","19.314","0.003","14.248","0.003","90","","101.99","0.02","90","","1547.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0784","0.0803","","","","","","1.146","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225720","27.249","0.005","27.42","0.005","25.189","0.005","90","0.005","90","0.005","90","0.005","18820","6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C96 H108 Co5 N32 O100 P2 W24 -","- C96 H80 Co5 N32 O86 P2 W24 -","- C384 H320 Co20 N128 O344 P8 W96 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0731","0.0493","","","0.1211","0.1328","","","","","","0.809","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225721","26.8635","0.0013","20.0627","0.001","13.1107","0.0006","90","","90","","90","","7066.1","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 Co2 Ge N12 O42 W12 -","- C36 H30 Co2 Ge N12 O40 W12 -","- C144 H120 Co8 Ge4 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0907","0.0689","","","0.1701","0.1834","","","","","","1.066","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225722","26.78","0.005","19.963","0.005","12.98","0.005","90","0.005","90","0.005","90","0.005","6939","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 B Co2 N12 O42 W12 -","- C36 H30 B Co2 N12 O41 W12 -","- C144 H120 B4 Co8 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0865","0.0555","","","0.1622","0.178","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225723","26.548","0.005","20.076","0.005","12.964","0.005","90","0.005","90","0.005","90","0.005","6910","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H38 Co2 N12 O42 W12 -","- C36 H30 Co2 N12 O40 W12 -","- C144 H120 Co8 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0804","0.0576","","","0.147","0.1613","","","","","","1.057","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225724","11.2301","0.0006","12.9434","0.0007","13.2453","0.0008","96.455","0.001","113.462","0.001","104.427","0.001","1661.18","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B Cu N12 O42 W12 -","- C36 H30 B Cu N12 O40 W12 -","- C36 H30 B Cu N12 O40 W12 -","1","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0828","0.0662","","","0.1455","0.1525","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225725","26.664","0.005","20.022","0.005","12.937","0.005","90","0.005","90","0.005","90","0.005","6907","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H41 Ag2 B N12 O42 W12 -","- C36 H30 Ag2 B N12 O41 W12 -","- C144 H120 Ag8 B4 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.103","0.0702","","","0.176","0.1995","","","","","","0.834","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225726","25.994","0.0003","25.994","0.0003","25.994","0.0003","90","","90","","90","","17563.8","0.4","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C76.6 H78.2 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","","","0.0733","0.055","","","0.1658","0.1969","","","","","","1.048","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225727","25.7627","0.0002","25.7627","0.0002","25.7627","0.0002","90","","90","","90","","17099.1","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C79 H83 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0416","0.0365","","","0.108","0.1175","","","","","","1.155","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225728","25.77025","0.00014","25.77025","0.00014","25.77025","0.00014","90","","90","","90","","17114.2","0.16","250","2","250.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C77.1 H83.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0421","0.0382","","","0.1323","0.137","","","","","","1.172","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225729","25.7752","0.0002","25.7752","0.0002","25.7752","0.0002","90","","90","","90","","17124","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C73.98 H77.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.0545","0.0534","","","0.1958","0.1973","","","","","","1.109","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225730","25.8577","0.0002","25.8577","0.0002","25.8577","0.0002","90","","90","","90","","17289","0.2","250","2","250","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C78.1 H74.6 N3 O13 S1.95 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.066","0.064","","","0.1951","0.2064","","","","","","1.227","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225731","10.886","0.002","10.237","0.002","11.376","0.002","90","","94.16","0.03","90","","1264.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B Br F4 N2 O -","- C8 H18 B Br F4 N2 O -","- C32 H72 B4 Br4 F16 N8 O4 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0984","0.0649","","","0.1464","0.1692","","","","","","0.967","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225732","10.919","0.002","10.331","0.002","11.33","0.002","90","","94.06","0.03","90","","1274.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O5 -","- C8 H18 Cl2 N2 O5 -","- C32 H72 Cl8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0569","0.0436","","","0.1037","0.1105","","","","","","1.055","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225733","11.018","0.002","10.388","0.002","11.406","0.002","90","","94.03","0.03","90","","1302.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Br Cl D2 N2 O5 -","- C8 H16 Br Cl D2 N2 O5 -","- C32 H64 Br4 Cl4 D8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0634","0.046","","","0.1014","0.1094","","","","","","1.045","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225734","10.98","0.002","10.333","0.002","11.37","0.002","90","","93.92","0.03","90","","1287","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0558","0.0427","","","0.0921","0.098","","","","","","1.088","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225735","11.055","0.006","10.452","0.006","11.388","0.006","90","","94.249","0.009","90","","1312.2","1.2","333","2","333","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.08","0.0521","","","0.0974","0.107","","","","","","1.11","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225736","11.067","0.002","10.483","0.002","11.404","0.002","90","","94.32","0.03","90","","1319.3","0.4","343","2","343","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.131","0.0576","","","0.1074","0.1336","","","","","","0.972","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225737","6.8562","0.0005","11.9649","0.0009","20.6362","0.001","78.951","0.005","88.87","0.005","76.106","0.006","1612.26","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) dihydrate","","- C15 H15 N3 O8 -","- C15 H15 N3 O8 -","- C60 H60 N12 O32 -","4","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0975","0.0848","","","0.2353","0.2446","","","","","","1.087","","","","has coordinates","287892","2023-11-30","16:04:10",""
"7225738","7.7787","0.0001","18.8747","0.0002","13.0343","0.0001","90","","91.528","0.001","90","","1913.02","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-phenylurea 5-nitroisophthalic acid acetone solvate","","- C18 H19 N3 O8 -","- C18 H19 N3 O8 -","- C72 H76 N12 O32 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0376","0.0345","","","0.0937","0.0969","","","","","","1.029","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225739","12.2579","0.0006","14.7289","0.0009","23.505","0.0014","94.49","0.005","91.215","0.004","90.291","0.004","4229.6","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","Heptakis(n-phenylurea) tetrakis(5-nitroisophthalic acid) dimethanol solvate","","- C83 H84 N18 O33 -","- C83 H84 N18 O33 -","- C166 H168 N36 O66 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.1125","0.0553","","","0.1163","0.146","","","","","","1.015","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225740","6.9335","0.0003","12.4902","0.0007","25.4854","0.0013","89.062","0.005","83.694","0.004","74.923","0.003","2118.02","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) monohydrate ethanol solvate","","- C39 H42 N8 O17 -","- C39 H34 N8 O17 -","- C78 H68 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","0.9538","synchrotron","","0.1972","0.1019","","","0.2761","0.3331","","","","","","1.005","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225741","10.0887","0.0005","12.3161","0.0005","17.3345","0.001","70.478","0.005","87.122","0.004","87.659","0.004","2026.83","0.19","150","0.14","150","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) acetonitrile solvate","","- C39 H37 N9 O15 -","- C39 H37 N9 O15 -","- C78 H74 N18 O30 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","1.54184","CuKα","","0.0526","0.0396","","","0.1018","0.1125","","","","","","1.041","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225742","12.3639","0.0007","13.0486","0.001","13.8208","0.001","71.686","0.007","89.156","0.005","87.439","0.005","2114.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","'tris(n-phenylurea) bis(5-nitroisophthalic acid) acetone solvate hydrate","","- C40 H42 N8 O17 -","- C40 H42 N8 O17 -","- C80 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.2373","0.0834","","","0.1392","0.2","","","","","","0.959","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225743","12.3606","0.0005","13.4644","0.0006","14.3535","0.0006","81.404","0.004","83.684","0.004","64.194","0.004","2123.72","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran solvate hydrate","","- C41 H44 N8 O17 -","- C41 H44 N8 O17 -","- C82 H88 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0633","0.0509","","","0.1348","0.147","","","","","","1.034","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225744","9.8732","0.0004","10.997","0.0003","20.4449","0.0006","80.035","0.002","89.288","0.003","77.29","0.003","2131.99","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Hepta(n-phenylurea) tetra(5-nitroisophthalic acid) ethyl acetate solvate","","- C41 H42 N8 O17 -","- C41 H42 N8 O17 -","- C82 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0687","0.0539","","","0.1404","0.1547","","","","","","1.008","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225745","9.9483","0.0008","9.9564","0.0008","10.6641","0.0007","66.488","0.007","75.79","0.007","71.335","0.007","909.16","0.13","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran methanol solvate","","- C18 H21 N3 O8.5 -","- C19 H13 N3 O7.5 -","- C38 H26 N6 O15 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0721","0.0642","","","0.1914","0.204","","","","","","1.081","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225746","8.9131","0.0007","9.7105","0.0008","13.3778","0.0011","71.44","0.007","78.479","0.007","83.019","0.007","1073.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C44 H42 N10 O16 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.093","0.052","","","0.0933","0.1101","","","","","","1.023","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225747","15.1254","0.0003","12.7462","0.0002","16.2905","0.0004","90","","107.286","0.003","90","","2998.81","0.12","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(n-phenylurea) bis(5-nitroisophthalic acid)","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C120 H104 N24 O56 -","8","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0659","0.0526","","","0.1358","0.1426","","","","","","1.123","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225786","12.6235","0.0002","16.225","0.0004","18.622","0.0004","90.7497","0.0018","103.79","0.0018","102.411","0.0017","3609.26","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 Cl8 I2 N4 O10 -","- C67 H68 Cl8 I2 N4 O10 -","- C134 H136 Cl16 I4 N8 O20 -","2","1","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0643","0.0544","","","0.1408","0.1513","","","","","","1.059","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225787","11.6992","0.0001","14.9802","0.0002","20.2256","0.0003","72.161","0.001","83.489","0.001","73.806","0.001","3238.85","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","1","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0362","0.0359","","","0.0987","0.0991","","","","","","1.041","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225788","20.04603","0.00013","23.88917","0.00014","14.22073","0.0001","90","","90","","90","","6810.07","0.08","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H68 F8 I4 N4 O12 -","- C67 H66 F8 I4 N4 O12 -","- C268 H264 F32 I16 N16 O48 -","4","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0471","0.046","","","0.1036","0.1041","","","","","","1.178","","","","has coordinates","185249","2020-10-21","18:00:00",""
"7225789","13.058","0.003","17.418","0.004","20.041","0.004","90","","108.21","0.03","90","","4329.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H48.5 Co N9.5 O7.5 -","- C35.5 H41.5 Co N8.5 O6.5 -","- C142 H166 Co4 N34 O26 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.1076","0.0887","","","0.2908","0.3118","","","","","","1.246","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225790","10.156","0.002","11.554","0.002","15.972","0.003","83.61","0.03","88.74","0.03","71.26","0.03","1763.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd N8 O6 -","- C34 H38 Cd N8 O6 -","- C68 H76 Cd2 N16 O12 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0385","0.0342","","","0.0821","0.0841","","","","","","1.098","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225791","10.0203","0.0004","11.3836","0.0004","15.9371","0.0005","82.852","0.001","87.396","0.001","72.518","0.001","1720.39","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N8 O6 Zn -","- C34 H38 N8 O6 Zn -","- C68 H76 N16 O12 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.0545","0.0398","","","0.0911","0.0973","","","","","","1.061","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225792","16.7033","0.0017","9.3648","0.0009","19.686","0.003","90","","108.139","0.005","90","","2926.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H31 Cu N7 O5 -","- C31 H31 Cu N7 O5 -","- C124 H124 Cu4 N28 O20 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.1287","0.0584","","","0.1153","0.1459","","","","","","0.961","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225793","7.965","0.0016","8.04","0.0016","20.311","0.004","81.56","0.03","85.94","0.03","86.61","0.03","1281.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O5 Zn -","- C28 H26 N6 O5 Zn -","- C56 H52 N12 O10 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0916","0.0557","","","0.1239","0.1489","","","","","","1.043","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225794","12.344","0.0017","12.344","0.0017","17.575","0.004","90","","90","","90","","2678","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 N6 O5.5 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0364","0.0362","","","0.1185","0.1189","","","","","","1.157","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225795","12.469","0.0018","12.469","0.0018","17.439","0.003","90","","90","","90","","2711.3","0.7","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 Cd N6 O5.5 -","- C28 H24 Cd N6 O4 -","- C112 H96 Cd4 N24 O16 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0274","0.027","","","0.0661","0.0663","","","","","","1.127","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225796","14.792","0.002","14.792","0.002","18.957","0.004","90","","90","","120","","3592.1","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H38 N6 Ni O11 -","- C28 H24 N6 Ni O4 -","- C84 H72 N18 Ni3 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0279","0.0271","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225797","14.78","0.002","14.78","0.002","19.179","0.004","90","","90","","120","","3628.3","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H56 Co N6 O20 -","- C28 H24 Co N6 O4 -","- C84 H72 Co3 N18 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0747","0.0379","","","0.0807","0.0922","","","","","","0.92","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225798","9.484","0.0019","14.148","0.003","9.994","0.002","90","","109.45","0.03","90","","1264.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","synchrotron","","0.072","0.0627","","","0.164","0.1734","","","","","","1.026","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225799","9.801","0.002","13.736","0.003","14.268","0.003","79.99","0.03","80.75","0.03","85","0.03","1863.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C84 H78 N18 O12 -","6","6","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0618","0.0583","","","0.159","0.1629","","","","","","1.061","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225800","9.875","0.002","9.422","0.0019","18.577","0.004","90","","104.92","0.03","90","","1670.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O3 -","- C17 H20 N4 O3 -","- C68 H80 N16 O12 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","Synchrotron","","0.0581","0.0489","","","0.1342","0.1409","","","","","","1.033","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225801","13.152","0.003","8.441","0.0017","11.502","0.002","90","","90","","90","","1276.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0433","0.0411","","","0.1059","0.1133","","","","","","1.069","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225804","35.1044","0.0007","35.1044","0.0007","11.7352","0.0004","90","","90","","90","","14461.5","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C320 H256 Cu32 N192 O320 Si8 W96 -","8","","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.1001","0.0665","","","0.1414","0.1608","","","","","","1.003","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225805","12.482","0.003","14.603","0.003","21.09","0.004","97.12","0.03","97.82","0.03","105.37","0.03","3620.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C80 H64 Cu8 N48 O80 Si2 W24 -","2","1","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.0845","0.0571","","","0.1172","0.129","","","","","","1.029","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225806","13.433","0.002","9.4245","0.0014","17.988","0.003","90","","94.098","0.002","90","","2271.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Ag3 N2 O7 -","- C25 H15 Ag3 N2 O7 -","- C100 H60 Ag12 N8 O28 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0344","0.0283","","","0.0687","0.0714","","","","","","1.041","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225807","7.9925","0.0005","11.0074","0.0007","13.5766","0.0009","73.142","0.002","73.262","0.002","71.833","0.002","1060.17","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Ag N2 O7 -","- C25 H17 Ag N2 O7 -","- C50 H34 Ag2 N4 O14 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.075","0.049","","","0.1306","0.1481","","","","","","1.001","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225808","10.0949","0.0007","24.2027","0.0015","10.3445","0.0008","90","","97.76","0.003","90","","2504.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cu I0 N4 O9 -","- C27 H22 Cu N4 O9 -","- C108 H88 Cu4 N16 O36 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0949","0.0512","","","0.1283","0.1528","","","","","","0.941","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225809","9.766","0.009","14.061","0.013","23.12","0.02","82.775","0.012","80.273","0.011","72.37","0.012","2973","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H51 Ag3 N12 O16 -","- C66 H51 Ag3 N12 O16 -","- C132 H102 Ag6 N24 O32 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0768","0.0577","","","0.1183","0.1433","","","","","","1.004","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225810","14.952","0.002","14.952","0.002","9.0826","0.0018","90","","90","","90","","2030.5","0.6","293","2","293","2","","","","","","","","5","P -4","P -4","81","C28 H41.70 N12.40 O18.45 Zn4","","","- C28 H41.7 N12.4 O18.45 Zn4 -","- C28 H31.2 N12.4 O18.45 Zn4 -","- C56 H62.4 N24.8 O36.9 Zn8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong","An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels","CrystEngComm","2016","18","31","5803","","10.1039/C6CE00892E","","","0.71073","MoKα","","0.0421","0.0393","","","0.1022","0.1033","","","","","","1.007","","","","has coordinates,has disorder","185254","2020-10-21","18:00:00",""
"7225811","15.8769","0.0005","23.5103","0.0008","23.1577","0.0008","90","","101.226","0.002","90","","8478.7","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C168 H241 Ho4 N27 O59 P6 -","- C86 H48 Ho4 N6 O39 P6 -","- C172 H96 Ho8 N12 O78 P12 -","2","1","","Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing","A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption","CrystEngComm","2016","18","33","6254","","10.1039/C6CE00497K","","","0.71073","MoKα","","0.0614","0.0561","","","0.1462","0.1525","","","","","","1.006","","","","has coordinates","186369","2020-10-21","18:00:00",""
"7225812","8.898","0.0018","9.247","0.0018","14.663","0.003","93.17","0.03","98.79","0.03","114.16","0.03","1078.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N O Si -","- C24 H24 Cl N O Si -","- C48 H48 Cl2 N2 O2 Si2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0816","0.0561","","","0.1456","0.164","","","","","","1.057","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225813","8.8297","0.0018","9.1147","0.0018","14.282","0.003","91.02","0.03","99.85","0.03","115.48","0.03","1016.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C50 H48 Cl2 N2 O2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0596","0.0384","","","0.0934","0.1058","","","","","","1.008","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225814","10.008","0.002","14.177","0.003","14.937","0.003","64.62","0.03","72.74","0.03","77.69","0.03","1819.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.1022","0.0516","","","0.1099","0.1314","","","","","","1.006","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225815","8.5764","0.0017","8.9494","0.0018","15.567","0.003","89.44","0.03","85.34","0.03","63.17","0.03","1062.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O2 -","- C25 H26 Cl N O2 -","- C50 H52 Cl2 N2 O4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0563","0.0424","","","0.1048","0.1132","","","","","","1.022","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225816","8.761","0.0018","9.6081","0.0019","23.756","0.005","91.94","0.03","93.39","0.03","113.9","0.03","1821.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0695","0.0531","","","0.141","0.1541","","","","","","1.039","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225817","14.078","0.003","9.2242","0.0018","16.232","0.003","90","","96.74","0.03","90","","2093.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C100 H96 Cl4 N4 O4 -","4","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0665","0.0403","","","0.0907","0.1047","","","","","","1.028","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225818","8.8493","0.0018","9.1507","0.0018","14.38","0.003","91.4","0.03","99.68","0.03","115.03","0.03","1034.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.73 H24 Cl N O Si0.27 -","- C24.729 H24 Cl N O Si0.271 -","- C49.458 H48 Cl2 N2 O2 Si0.542 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0722","0.0588","","","0.1435","0.1527","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225819","8.8549","0.0018","9.148","0.0018","14.37","0.003","91.44","0.03","99.75","0.03","115.05","0.03","1033.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.76 H24 Cl N O Si0.24 -","- C24.756 H24 Cl N O Si0.244 -","- C49.512 H48 Cl2 N2 O2 Si0.488 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0845","0.0646","","","0.146","0.1585","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225820","26.284","0.003","26.284","0.003","12.9228","0.0015","90","","90","","90","","8927.7","1.8","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Cl4 Fe4 N16 O24 -","- C62 H88 Cl4 Fe4 N16 O24 -","- C248 H352 Cl16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.0834","0.0607","","","0.1735","0.2001","","","","","","1.007","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225821","26.292","0.005","26.292","0.005","12.959","0.002","90","","90","","90","","8958","3","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Br4 Fe4 N16 O24 -","- C62 H88 Br4 Fe4 N16 O24 -","- C248 H352 Br16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1033","0.0577","","","0.1471","0.1761","","","","","","1.011","","","","has coordinates,has disorder","186368","2020-10-21","18:00:00",""
"7225822","20.032","0.003","21.9","0.003","27.421","0.004","113.261","0.002","92.344","0.003","96.129","0.002","10943","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Cl10 Mn10 N26 O38 -","- C117 H106 Cl10 Mn10 N26 O38 -","- C234 H212 Cl20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1432","0.0706","","","0.1595","0.1714","","","","","","0.986","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225823","20.239","0.009","21.285","0.009","26.335","0.011","113.598","0.006","91.571","0.007","95.727","0.006","10316","8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Br10 Mn10 N26 O38 -","- C117 H106 Br10 Mn10 N26 O38 -","- C234 H212 Br20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1638","0.0989","","","0.2351","0.2597","","","","","","1.133","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225824","6.9562","0.0003","19.7321","0.0008","13.4459","0.0006","90","","93.4175","0.0013","90","","1842.31","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N3 O5.5 S -","- C6 H10 N3 O5.5 S -","- C48 H80 N24 O44 S8 -","8","2","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","","0.71073","MoKα","","0.046","0.0366","","","0.0929","0.0986","","","","","","1.0594","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225825","6.6307","0.0004","16.328","0.0013","7.4836","0.0005","90","","92.183","0.007","90","","809.63","0.1","290","2","290","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br N3 O -","- C6 H8 Br N3 O -","- C24 H32 Br4 N12 O4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.086","0.0448","","","0.1056","0.125","","","","","","0.979","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225826","6.363","0.0013","15.97","0.006","8.043","0.002","90","","92.151","0.016","90","","816.7","0.4","290","2","290","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0495","","","0.1261","0.1374","","","","","","1.055","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225827","7.3259","0.0002","6.3982","0.0002","19.5779","0.0007","90","","98.246","0.001","90","","908.18","0.05","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0463","","","0.1206","0.1291","","","","","","1.052","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225837","8.0806","0.0007","16.0141","0.0013","3.5431","0.0003","90","","101.206","0.001","90","","449.75","0.07","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.096Y0.904Ca4O(BO3)3","La0.096Y0.904COB","","- B6 Ca8 La0.18 O20 Y1.81 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","1","0.25","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0174","0.0172","","","0.041","0.0411","","","","","","0.767","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225838","8.1214","0.001","16.1024","0.0019","3.5623","0.0004","90","","101.211","0.001","90","","456.97","0.09","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.140Y0.860Ca4O(BO3)3","La0.140Y0.860COB","","- B3 Ca4.03 La0.11 O10 Y0.86 -","- B3 Ca4.029 La0.11 O10 Y0.861 -","- B6 Ca8.058 La0.22 O20 Y1.722 -","2","0.5","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0162","0.0158","","","0.0378","0.038","","","","","","0.757","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225839","3.8981","0.0003","13.3018","0.001","15.2307","0.0011","93.626","0.003","96.888","0.003","93.357","0.004","780.72","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Br2 F4 O2 -","- C17 H8 Br2 F4 O2 -","- C34 H16 Br4 F8 O4 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.025","0.0209","","","0.0511","0.0529","","","","","","1.031","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225840","17.0631","0.0012","4.1837","0.0003","24.5252","0.0019","90","","100.088","0.005","90","","1723.7","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H8 F4 I2 O2 -","- C17 H8 F4 I2 O2 -","- C68 H32 F16 I8 O8 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.0537","0.0355","","","0.0725","0.0795","","","","","","1.02","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225841","6.44","0.0004","16.3764","0.001","12.5711","0.001","90","","93.626","0.002","90","","1323.14","0.16","150","0.5","150","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 N2 O4 S -","- C31 H34 N2 O4 S -","- C62 H68 N4 O8 S2 -","2","1","","Lee, Kang-Hyun; Lee, Seung-Heon; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Multi-functional supramolecular building blocks with hydroxy piperidino groups: new opportunities for developing nonlinear optical ionic crystals","CrystEngComm","2016","18","31","5832","","10.1039/C6CE00401F","","","0.71073","MoKα","","0.129","0.0581","","","0.1253","0.16","","","","","","1.122","","","","has coordinates","185257","2020-10-21","18:00:00",""
"7225842","8.435","0.006","11.431","0.008","17.048","0.012","105.141","0.014","92.907","0.018","104.043","0.016","1527.8","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.367","0.1381","","","0.301","0.4215","","","","","","0.912","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225843","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1136","0.0516","","","0.1169","0.1416","","","","","","1.002","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225844","8.5451","0.0015","10.8805","0.0019","17.346","0.003","94.925","0.003","91.831","0.003","111.868","0.003","1487.6","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.0891","0.0566","","","0.1358","0.1535","","","","","","1.057","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225845","8.482","0.0016","10.894","0.002","17.36","0.003","96.558","0.003","91.831","0.004","111.203","0.004","1481.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1159","0.0559","","","0.1352","0.1618","","","","","","1.004","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225846","8.44","0.002","10.918","0.003","17.372","0.004","98.412","0.004","92.041","0.004","109.825","0.005","1483.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C32.9978 H35.9976 O8.9994 -","- C65.9956 H71.9952 O17.9988 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1499","0.0707","","","0.1695","0.202","","","","","","1.038","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225847","8.37","0.003","10.992","0.004","17.276","0.006","101.552","0.005","92.358","0.006","107.262","0.006","1478.5","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1645","0.0757","","","0.1912","0.2287","","","","","","1.027","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225848","8.3738","0.0014","11.2351","0.0019","17.064","0.003","106.059","0.003","92.617","0.004","104.502","0.003","1482.1","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1333","0.0591","","","0.1459","0.1771","","","","","","0.982","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225849","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1075","0.0516","","","0.1169","0.1371","","","","","","1.024","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225850","8.3766","0.0014","11.2383","0.0018","17.082","0.003","106.072","0.004","92.601","0.003","104.599","0.003","1483.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1336","0.0559","","","0.1231","0.1551","","","","","","0.99","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225856","30.854","0.005","7.3079","0.0013","9.1538","0.0016","90","","103.466","0.003","90","","2007.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H36 N6 O7 -","- C14 H36 N6 O7 -","- C56 H144 N24 O28 -","4","0.5","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0339","0.0312","","","0.0822","0.0839","","","","","","1.055","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225857","9.856","0.003","6.681","0.002","9.172","0.003","90","","108.778","0.004","90","","571.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperazine monohydrate","","","- C4 H12 N2 O -","- C4 H12 N2 O -","- C16 H48 N8 O4 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0363","0.0337","","","0.091","0.0936","","","","","","1.041","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225858","8.163","0.002","18.627","0.005","5.9869","0.0017","90","","110.214","0.004","90","","854.3","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","piperazinium carbaxamide trihydrate","","","- C5 H16 N2 O5 -","- C5 H16 N2 O5 -","- C20 H64 N8 O20 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0277","0.0259","","","0.0624","0.0636","","","","","","1.019","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225859","6.194","0.003","9.572","0.005","18.884","0.01","90","","90","","90","","1119.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 N4 O2 -","- C9 H20 N4 O2 -","- C36 H80 N16 O8 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0592","0.0435","","","0.0945","0.1016","","","","","","1.051","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225860","10.5503","0.0006","8.933","0.0005","20.1876","0.001","90","","90.672","0.002","90","","1902.47","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O8 S Tb -","- C19 H13 N2 O8 S Tb -","- C76 H52 N8 O32 S4 Tb4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0467","0.0349","","","0.0785","0.0848","","","","","","1.04","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225861","8.8357","0.0008","10.6784","0.0009","10.9831","0.0009","80.877","0.002","69.329","0.002","88.555","0.002","956.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 N2 O9 S Sm -","- C19 H15 N2 O9 S Sm -","- C38 H30 N4 O18 S2 Sm2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0313","0.0306","","","0.0795","0.08","","","","","","1.028","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225862","8.8196","0.0012","10.6527","0.0014","10.9383","0.0015","80.996","0.002","69.223","0.002","88.54","0.002","948.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Eu N2 O9 S -","- C19 H15 Eu N2 O9 S -","- C38 H30 Eu2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0491","0.0405","","","0.0919","0.1109","","","","","","1.071","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225863","8.8819","0.0006","10.7645","0.0007","11.2236","0.0007","80.093","0.001","69.851","0.001","88.74","0.001","991.58","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 La N2 O9 S -","- C19 H15 La N2 O9 S -","- C38 H30 La2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0339","0.0297","","","0.0732","0.0763","","","","","","0.896","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225864","11.2382","0.0012","11.7405","0.0011","14.0474","0.0013","108.24","0.002","91.419","0.002","113.675","0.002","1587.9","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 La N4 O9 S2 -","- C35 H24 La N4 O9 S2 -","- C70 H48 La2 N8 O18 S4 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0507","0.0411","","","0.0782","0.0833","","","","","","0.976","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225865","10.5998","0.0011","8.953","0.0009","20.265","0.002","90","","90.979","0.002","90","","1922.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Eu N2 O8 S -","- C19 H11 Eu N2 O8 S -","- C76 H44 Eu4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.095","0.0462","","","0.085","0.1026","","","","","","0.978","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225866","10.57","0.001","8.94","0.0009","20.224","0.002","90","","90.868","0.002","90","","1910.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Gd N2 O8 S -","- C19 H13 Gd N2 O8 S -","- C76 H52 Gd4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0778","0.0381","","","0.0713","0.0839","","","","","","0.999","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225867","4.8185","0.0004","10.7128","0.0009","10.5491","0.0009","90","","97.394","0.002","90","","540.01","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H6 N4 O2 Zn -","- C12 H6 N4 O2 Zn -","- C24 H12 N8 O4 Zn2 -","2","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0181","0.0175","","","0.0419","0.0422","","","","","","1.019","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225868","10.2092","0.0019","8.5034","0.0017","13.885","0.003","90","","98.655","0.005","90","","1191.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H6 Cd N4 O3 -","- C12 H6 Cd N4 O3 -","- C48 H24 Cd4 N16 O12 -","4","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0262","0.0204","","","0.0526","0.0561","","","","","","1.013","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225877","30.559","0.002","15.545","0.0008","22.014","0.0016","90","","132.937","0.002","90","","7656","0.9","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B Ce4 K N4 O74 W12 -","- C28 H48 B Ce4 K N4 O74 W12 -","- C112 H192 B4 Ce16 K4 N16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0516","0.0478","","","0.1006","0.1023","","","","","","1.055","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225878","30.27","0.003","15.5104","0.0013","21.842","0.003","90","","132.839","0.001","90","","7519.5","1.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 O74 Sm4 W12 -","- C28 H48 B K N4 O74 Sm4 W12 -","- C112 H192 B4 K4 N16 O296 Sm16 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0703","0.0647","","","0.1336","0.1375","","","","","","1.089","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225879","30.4412","0.0013","15.5369","0.0007","21.9253","0.001","90","","132.93","0.001","90","","7592.6","0.6","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 Nd4 O74 W12 -","- C28 H48 B K N4 Nd4 O74 W12 -","- C112 H192 B4 K4 N16 Nd16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0858","0.0672","","","0.127","0.1405","","","","","","1.041","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225880","16.9847","0.0011","24.2343","0.0016","36.286","0.002","90","","90","","90","","14935.8","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H58 B Ce3 N2 O77 W12 -","- C14 H58 B Ce3 N2 O77 W12 -","- C112 H464 B8 Ce24 N16 O616 W96 -","8","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0855","0.0514","","","0.1052","0.1225","","","","","","1.042","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225881","35.825","0.002","11.9982","0.0007","17.1452","0.0009","90","","90","","90","","7369.6","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H56 B N2 O75 Sm3 W12 -","- C14 H56 B N2 O75 Sm3 W12 -","- C56 H224 B4 N8 O300 Sm12 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0453","0.0378","","","0.0786","0.082","","","","","","1.034","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225882","36.263","0.002","12.0588","0.0007","16.972","0.001","90","","90","","90","","7421.7","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H60 B N2 Nd3 O77 W12 -","- C14 H60 B N2 Nd3 O77 W12 -","- C56 H240 B4 N8 Nd12 O308 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0467","0.0368","","","0.0773","0.0823","","","","","","1.022","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225906","7.1752","0.0007","10.3078","0.001","12.3995","0.0012","86.613","0.002","87.488","0.002","71.906","0.002","869.89","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ethylene-9,9'-diadenine","9,9'-(1,2-ethanediyl)bis-9H-purin-6-amine tetra-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","1","0.5","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0506","0.0365","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225907","12.15","0.003","12.921","0.003","13.546","0.003","113.938","0.005","101.075","0.006","96.166","0.006","1866.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9-methyladenine dihexafluoro-2-propanol solvate","9-methyladenine di-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C12 H11 F12 N5 O2 -","- C12 H11 F12 N5 O2 -","- C48 H44 F48 N20 O8 -","4","2","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0991","0.056","","","0.1058","0.1211","","","","","","1.046","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225908","16.1748","0.0018","7.7639","0.0009","7.539","0.0008","90","","91.191","0.002","90","","946.54","0.18","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BDHN-TTF","bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene","","- C22 H16 S4 -","- C22 H16 S4 -","- C44 H32 S8 -","2","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.0463","0.036","","","0.0985","0.1062","","","","","","1.036","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225909","3.9274","0.0014","7.167","0.003","15.716","0.006","83.267","0.006","89.379","0.006","80.859","0.006","433.7","0.3","300","2","300","2","","","","","","","","3","P -1","-P 1","2","BN-TTF","bis(naphtho[1,2-d])tetrathiafulvalene","","- C22 H12 S4 -","- C22 H12 S4 -","- C22 H12 S4 -","1","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.1119","0.0492","","","0.098","0.1131","","","","","","0.968","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225922","3.8397","0.0019","16.676","0.008","20.455","0.01","90","","93.894","0.01","90","","1306.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","0.71073","MoKα","","0.1145","0.0862","","","0.1869","0.2022","","","","","","1.13","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225923","14.2812","0.0002","16.2445","0.0002","18.4229","0.0003","111.657","0.001","101.872","0.001","108.452","0.001","3506.82","0.1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H81 Fe2 N O26 -","- C45 H40 Fe2 O20 -","- C90 H80 Fe4 O40 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54184","CuKα","","0.0474","0.0393","","","0.1201","0.1244","","","","","","1.112","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225924","12.6126","0.0002","13.5051","0.0002","14.6564","0.0003","73.585","0.001","87.921","0.001","71.445","0.001","2266.3","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Cd N3 O13 -","- C45 H41 Cd N3 O13 -","- C90 H82 Cd2 N6 O26 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54178","CuKα","","0.0374","0.0363","","","0.1041","0.1053","","","","","","1.091","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225941","14.7409","0.0005","15.3429","0.0006","22.1924","0.0008","90","","103.716","0.002","90","","4876.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H78 N16 O26 Zn6 -","- C72 H42 N12 O22 Zn6 -","- C144 H84 N24 O44 Zn12 -","2","1","","Meng, Pan Pan; Dang, Li Long; Zhang, Xiao Jing; Ma, Lu Fang; Li, Jian Qiang; Gong, Le Le; Zhang, Le; Meng, Li Na; Luo, Feng","A novel MOF showing a ring-like planar Zn6cluster and the coexistence of a single, double, and triple wall","CrystEngComm","2016","18","34","6336","","10.1039/C6CE01007E","","","0.71073","MoKα","","0.0803","0.0641","","","0.176","0.1827","","","","","","1.026","","","","has coordinates","186357","2020-10-21","18:00:00",""
"7225972","8.1989","0.0016","12.206","0.002","10.024","0.002","90","","102.81","0.03","90","","978.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N9 O0 Zn -","- C6 H8 N9 Zn -","- C24 H32 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0695","0.0629","","","0.1848","0.1964","","","","","","1.109","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225973","27.148","0.004","27.148","0.004","9.957","0.003","90","","90","","120","","6355","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 Cd3 Cl2 N18 -","- C8 H10 Cd3 Cl2 N18 -","- C72 H90 Cd27 Cl18 N162 -","9","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0238","0.0211","","","0.0553","0.0569","","","","","","1.07","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225974","7.7738","0.0005","14.0313","0.0009","10.2395","0.0007","90","","100.987","0.002","90","","1096.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Mn2 N18 O6 -","- C8 H22 Mn2 N18 O6 -","- C16 H44 Mn4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0402","0.0326","","","0.0777","0.0821","","","","","","1.049","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225975","7.776","0.004","13.987","0.006","8.352","0.004","90","","101.601","0.011","90","","889.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N9 Zn -","- C4 H5 N9 Zn -","- C16 H20 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0721","0.0488","","","0.1113","0.119","","","","","","0.986","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225976","7.7937","0.0006","14.2172","0.0012","10.3075","0.0008","90","","100.571","0.002","90","","1122.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cd2 N18 O6 -","- C8 H22 Cd2 N18 O6 -","- C16 H44 Cd4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0605","0.0629","","","","","","1.05","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225977","21.6492","0.0007","9.9528","0.0003","8.4146","0.0003","90","","105.597","0.001","90","","1746.33","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cd2 N18 O -","- C8 H12 Cd2 N18 O -","- C32 H48 Cd8 N72 O4 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0227","0.0222","","","0.0639","0.0644","","","","","","1.071","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225978","6.8924","0.0003","10.06","0.0004","19.7902","0.0008","90","","90","","90","","1372.2","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N12 Zn2 -","- C6 H8 Cl N12 Zn2 -","- C24 H32 Cl4 N48 Zn8 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0354","0.0294","","","0.0757","0.0792","","","","","","1.043","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225979","13.4767","0.0015","7.5845","0.0009","12.9148","0.0014","90","","99.542","0.002","90","","1301.8","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 Cd N9 O3 -","- C6 H15 Cd N9 O3 -","- C24 H60 Cd4 N36 O12 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0182","0.0181","","","0.0479","0.048","","","","","","1.184","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225980","10.6856","0.0006","7.3274","0.0004","18.8986","0.0011","90","","105.776","0.001","90","","1423.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cd2 N10 O5 -","- C6 H12 Cd2 N10 O5 -","- C24 H48 Cd8 N40 O20 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0181","0.0164","","","0.0369","0.0374","","","","","","1.1","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225981","8.0251","0.0004","10.0806","0.0006","12.6959","0.0007","89.821","0.0017","81.4586","0.0015","79.9673","0.0016","999.87","0.1","173","","173","2","","","","","","","","6","P -1","-P 1","2","","(anilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H44 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","1","0.5","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","0.0458","0.0425","","","0.1068","0.112","","","","","","1.158","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225982","13.4658","0.0006","19.0314","0.001","24.7402","0.001","77.941","0.006","77.593","0.006","81.569","0.006","6021.1","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","(m-fluoroanilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H43 F N Ni O6 S10 -","- C32 H43 F N Ni O6 S10 -","- C192 H258 F6 N6 Ni6 O36 S60 -","6","3","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","","0.0744","","","","0.2437","","","","","","1.06","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225986","29.353","0.0006","29.353","0.0006","16.1124","0.0004","90","","90","","90","","13882.4","0.5","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C83 H140 N8 Ni8 O59 -","- C83 H56 N8 Ni8 O59 -","- C332 H224 N32 Ni32 O236 -","4","","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71073","MoKα","","0.172","0.094","","","0.2893","0.3578","","","","","","1.196","","","","has coordinates,has disorder","186345","2020-10-21","18:00:00",""
"7225987","19.086","0.0016","18.084","0.0017","15.847","0.0015","90","","107.522","0.004","90","","5215.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl2 Cu4 N4 O28 -","- C43 H56 Cl2 Cu4 N4 O28 -","- C172 H224 Cl8 Cu16 N16 O112 -","4","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71069","MoKα","","0.0959","0.0535","","","0.1205","0.1394","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7225988","7.2984","0.0001","16.7188","0.0003","20.5514","0.0003","90","","90","","90","","2507.69","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br O2 -","- C26 H27 Br O2 -","- C104 H108 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0668","0.0535","","","0.1376","0.1455","","","","","","1.058","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225989","7.343","0.0002","17.039","0.0004","20.654","0.005","90","","90","","90","","2584.2","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I O2 -","- C26 H27 I O2 -","- C104 H108 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0676","0.0506","","","0.1275","0.1393","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225990","6.4755","0.0002","16.0635","0.0003","22.8738","0.0003","90","","90","","90","","2379.31","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I O2 -","- C27 H31 I O2 -","- C108 H124 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0503","0.0419","","","0.1029","0.1079","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225991","6.396","","16.289","","22.678","","90","","90","","90","","2362.7","","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Br Ca0 F O2 -","- C27 H30 Br F O2 -","- C108 H120 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.096","0.0667","","","0.1679","0.1897","","","","","","1.03","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225992","7.3624","0.0001","16.7118","0.0003","20.7142","0.0004","90","","90","","90","","2548.65","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Br F2 O2 -","- C26 H25 Br F2 O2 -","- C104 H100 Br4 F8 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.053","0.0435","","","0.1105","0.1156","","","","","","1.056","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225993","7.2612","0.0003","15.8845","0.0006","19.4007","0.0004","90","","90","","90","","2237.69","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br F O2 -","- C26 H29 Br F O2 -","- C104 H116 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0996","0.0532","","","0.1216","0.1422","","","","","","1.017","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225994","20.978","","6.314","","23.951","","90","","106.06","","90","","3048.62","","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C35 H47 I O3 -","- C35 H47 I O3 -","- C140 H188 I4 O12 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.075","0.0846","","","","","","1.051","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225995","6.3045","0.0001","16.0693","0.0004","22.117","0.0006","90","","90","","90","","2240.65","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 I O2 -","- C26 H29 I O2 -","- C104 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0482","0.0373","","","0.0796","0.0846","","","","","","1.046","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225996","7.7512","0.0016","14.839","0.003","20.627","0.004","90","","90","","90","","2372.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br O2 -","- C28 H28 Br O2 -","- C112 H112 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.2076","0.124","","","0.3187","0.3645","","","","","","1.034","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225997","6.5925","0.0001","22.2328","0.0006","10.2751","0.0002","90","","100.232","0.001","90","","1482.07","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Br O3 -","- C34 H36 Br O3 -","- C68 H72 Br2 O6 -","2","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0845","0.0924","","","","","","1.049","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225998","6.6335","0.0001","16.6143","0.0004","21.5766","0.0004","90","","90","","90","","2377.98","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 I O2 -","- C27 H29 I O2 -","- C108 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.093","0.0491","","","0.0942","0.1093","","","","","","1.012","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225999","7.9321","0.0002","14.7305","0.0003","27.7895","0.0006","90","","90","","90","","3247.03","0.13","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ce N4 O11 -","- C12 H11 Ce N4 O11 -","- C96 H88 Ce8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0388","0.0223","","","0.0402","0.0425","","","","","","1.003","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226000","7.9559","0.0005","14.7492","0.0008","27.8802","0.0018","90","","90","","90","","3271.6","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 La N4 O11 -","- C12 H11 La N4 O11 -","- C96 H88 La8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0579","0.031","","","0.0446","0.0499","","","","","","1.01","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226032","21.9466","0.0017","9.4061","0.0007","20.0971","0.0015","90","","117.266","0.0008","90","","3687.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N6 Ni2 O12 -","- C34 H38 N6 Ni2 O12 -","- C136 H152 N24 Ni8 O48 -","4","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0866","0.0638","","","0.1672","0.1867","","","","","","1.038","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226033","11.2195","0.0018","13.111","0.002","13.874","0.002","77.375","0.002","73.49","0.002","74.612","0.002","1863.8","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N6 Ni2 O13 -","- C34 H39 N6 Ni2 O13 -","- C68 H78 N12 Ni4 O26 -","2","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0792","0.0517","","","0.1181","0.1299","","","","","","0.988","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226034","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.0931","0.058","","","0.1349","0.1553","","","","","","1.032","","","","has coordinates","187040","2020-10-21","18:00:00",""
"7226035","26.818","0.006","6.8919","0.0008","9.7465","0.0012","90","","100.459","0.017","90","","1771.5","0.5","293","","293","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.1426","0.079","","","0.2134","0.2549","","","","","","1.06","","","","has coordinates,has disorder","187040","2020-10-21","18:00:00",""
"7226036","10.9266","0.0009","18.0002","0.001","18.562","0.002","90","","96.911","0.01","90","","3624.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Co3 N4 O26 -","- C70 H70 Co3 N4 O26 -","- C140 H140 Co6 N8 O52 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.1405","0.1004","","","0.2714","0.3057","","","","","","1.061","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226037","16.7644","0.0003","17.8611","0.0002","16.4068","0.0002","90","","113.298","0.002","90","","4512.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H89 Cd3 N3 O44 -","- C54 H30 Cd3 O22 -","- C108 H60 Cd6 O44 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0646","0.0583","","","0.184","0.1912","","","","","","1.093","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226038","10.2193","0.0006","11.1861","0.0005","16.235","0.0007","95.006","0.001","91.712","0.002","112.69","0.001","1701.64","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","1","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","0.71073","MoKα","","0.1147","0.05","","","0.1157","0.16","","","","","","1.031","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226039","12.2813","0.0002","27.3205","0.0004","16.465","0.0002","90","","102.863","0.001","90","","5385.89","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 N4 O15 Zn2 -","- C47 H59 N4 O15 Zn2 -","- C188 H236 N16 O60 Zn8 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0791","0.0687","","","0.2085","0.2204","","","","","","1.045","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226049","9.397","0.001","13.751","0.001","16.804","0.001","90","","95.736","0.001","90","","2160.5","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0312","0.0278","","","0.0645","0.066","","","","","","0.972","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226050","9.427","0.001","13.785","0.001","16.814","0.001","90","","95.667","0.001","90","","2174.3","0.3","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0572","0.0414","","","0.0945","0.1037","","","","","","0.877","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226051","9.45","0.001","13.796","0.001","16.753","0.001","90","","95.654","0.002","90","","2173.5","0.3","473","2","473","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.1033","0.0733","","","0.1806","0.21","","","","","","0.949","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226081","8.7424","0.0003","11.0479","0.0004","13.085","0.0004","71.61","0.003","83.241","0.003","85.831","0.003","1190.09","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag F6 N12 P -","- C16 H24 Ag F6 N12 P -","- C32 H48 Ag2 F12 N24 P2 -","2","1","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0452","0.0391","","","0.0912","0.0967","","","","","","1.032","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226082","9.4022","0.0005","9.0007","0.0006","21.7341","0.0012","90","","95.977","0.005","90","","1829.28","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C48 H72 Ag4 B4 F16 N36 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0856","0.0769","","","0.2059","0.2168","","","","","","1.074","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226083","9.33","0.0007","8.9872","0.0007","22.964","0.002","90","","97.11","0.007","90","","1910.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 F12 N18 P2 -","- C24 H36 Ag2 F12 N18 P2 -","- C48 H72 Ag4 F24 N36 P4 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","1.54184","CuKα","","0.1338","0.1082","","","0.275","0.2995","","","","","","1.07","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226084","5.5307","0.0003","13.1818","0.0007","12.0644","0.0006","90","","94.618","0.005","90","","876.69","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag2 N8 O6 -","- C10 H16 Ag2 N8 O6 -","- C20 H32 Ag4 N16 O12 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","0.71073","MoKα","","0.0425","0.0343","","","0.0743","0.0806","","","","","","1.069","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226085","7.5701","0.0003","10.994","0.0005","12.2207","0.0006","110.593","0.004","98.841","0.004","103.512","0.004","894.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","1","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","0.71073","MoKα","","0.0742","0.0618","","","0.1484","0.1612","","","","","","1.029","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226091","17.3383","0.0007","7.7724","0.0003","15.5015","0.0006","90","","90","","90","","2088.99","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 N4 O9 Zn2 -","- C22 H16 N4 O9 Zn2 -","- C88 H64 N16 O36 Zn8 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0303","0.0291","","","0.0838","0.0852","","","","","","1.064","","","","has coordinates,has disorder","187041","2020-10-21","18:00:00",""
"7226092","17.3409","0.0006","7.7719","0.0003","15.5112","0.0006","90","","90","","90","","2090.47","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Mn2 N4 O9 -","- C22 H12 Mn2 N4 O9 -","- C88 H48 Mn8 N16 O36 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.054","0.0531","","","0.1665","0.1679","","","","","","1.116","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226093","15.2246","0.0008","7.3657","0.0004","16.7773","0.0009","90","","106.831","0.002","90","","1800.81","0.17","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H28 N8 O11 Zn2 -","- C34 H28 N8 O11 Zn2 -","- C68 H56 N16 O22 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0631","0.0419","","","0.1152","0.1245","","","","","","1.03","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226094","7.3222","0.0003","25.5967","0.001","10.3654","0.0004","90","","99.32","0.001","90","","1917.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N4 Ni O8 -","- C17 H19 N4 Ni O8 -","- C68 H76 N16 Ni4 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0344","0.0325","","","0.0773","0.0785","","","","","","1.035","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226095","15.566","0.003","6.9981","0.0014","17.643","0.004","90","","107.99","0.03","90","","1827.9","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H27 N8 O9 Zn2 -","- C36 H27 N8 O9 Zn2 -","- C72 H54 N16 O18 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0526","0.0394","","","0.1039","0.1115","","","","","","1.038","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226096","29.9762","0.0012","6.7809","0.0003","21.3475","0.0009","90","","121.734","0.001","90","","3690.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cd N4 O6 -","- C18 H17 Cd N4 O6 -","- C144 H136 Cd8 N32 O48 -","8","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0288","0.0256","","","0.0728","0.0839","","","","","","1.067","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226097","16.7407","0.0006","9.5561","0.0003","16.5918","0.0006","90","","90.525","0.003","90","","2654.18","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 O18 -","- C20 H30 N4 O18 -","- C80 H120 N16 O72 -","4","0.5","","Kerr, Hannah E.; Mason, Helen E.; Sparkes, Hazel A.; Hodgkinson, Paul","Testing the limits of NMR crystallography: the case of caffeine‒citric acid hydrate","CrystEngComm","2016","18","35","6700","","10.1039/C6CE01453D","","","0.71073","MoKα","","0.063","0.0457","","","0.1","0.1108","","","","","","1.05","","","","has coordinates,has disorder","186351","2020-10-21","18:00:00",""
"7226122","11.8183","0.0006","7.9251","0.0004","8.957","0.0005","90","","90.047","0.003","90","","838.92","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C28 H28 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0461","0.0369","","","0.0899","0.0952","","","","","","1.05","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226123","21.4515","0.0004","8.4446","0.0001","8.9977","0.0001","90","","90","","90","","1629.93","0.04","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C56 H56 I8 N16 O8 -","8","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.071","0.0465","","","0.136","0.152","","","","","","1.024","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226124","4.6211","0.0007","5.2775","0.0008","16.932","0.003","90","","96.344","0.002","90","","410.41","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C14 H14 I2 N4 O2 -","2","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.015","0.0148","","","0.0358","0.0359","","","","","","1.103","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226125","12.7772","0.0011","5.1405","0.0004","20.7792","0.0016","90","","99.085","0.005","90","","1347.68","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0467","0.0395","","","0.077","0.0793","","","","","","1.186","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226126","21.0485","0.0013","4.6303","0.0003","12.8294","0.0007","90","","102.835","0.004","90","","1219.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0492","0.0411","","","0.0691","0.0713","","","","","","1.225","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226127","12.6626","0.0017","7.0591","0.001","15.395","0.002","90","","94.006","0.002","90","","1372.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0568","0.0484","","","0.1309","0.1354","","","","","","1.054","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226128","27.607","0.006","4.6224","0.0011","9.75","0.002","90","","93.235","0.003","90","","1242.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F I N2 O -","- C13 H10 F I N2 O -","- C52 H40 F4 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0409","0.0316","","","0.0792","0.0834","","","","","","1.04","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226129","12.481","0.002","9.9446","0.0016","23.867","0.004","90","","96.736","0.002","90","","2941.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C112 H104 I8 N16 O8 S8 -","8","2","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0643","0.0567","","","0.1265","0.13","","","","","","1.181","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226130","8.1518","0.0006","18.2688","0.0013","9.5334","0.0007","90","","93.672","0.001","90","","1416.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C56 H52 I4 N8 O4 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0268","0.0258","","","0.058","0.0584","","","","","","1.228","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226131","14.2167","0.0019","14.5308","0.0018","6.8955","0.001","90","","90","","90","","1424.5","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 I N3 O2 S -","- C13 H10 I N3 O2 S -","- C52 H40 I4 N12 O8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0334","0.0316","","","0.0701","0.0709","","","","","","1.159","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226132","15.3895","0.0012","5.4985","0.0005","17.1612","0.0015","90","","116.18","0.004","90","","1303.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0639","0.0549","","","0.1094","0.1126","","","","","","1.24","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226133","26.18","0.0017","4.6273","0.0003","9.9779","0.0007","90","","91.646","0.003","90","","1208.25","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0385","0.0274","","","0.0853","0.1324","","","","","","1.187","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226134","27.253","0.005","4.6408","0.0009","9.8532","0.0018","90","","91.991","0.006","90","","1245.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","1.54178","CuKα","","0.0717","0.057","","","0.1608","0.1728","","","","","","1.15","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226135","13.5715","0.0005","15.217","0.0005","24.985","0.0009","77.706","0.003","89.786","0.003","73.329","0.003","4820.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 Ag4 N14 O63 P2 W18 -","- C42 Ag4 N14 O63 P2 W18 -","- C84 Ag8 N28 O126 P4 W36 -","2","1","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.1398","0.101","","","0.2767","0.3106","","","","","","1.057","","","","has coordinates,has disorder","187055","2020-10-21","18:00:00",""
"7226136","27.2878","0.0014","14.5549","0.0005","24.4249","0.0012","90","","115.836","0.006","90","","8731.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N12 O62 P2 W18 -","- C36 H28 N12 O62 P2 W18 -","- C144 H112 N48 O248 P8 W72 -","4","0.5","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.0555","0.0394","","","0.095","0.1043","","","","","","1.086","","","","has coordinates","187055","2020-10-21","18:00:00",""
"7226142","23.7111","0.0004","23.7111","0.0004","46.9783","0.0007","90","","90","","90","","26412","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.144","0.0901","","","0.2552","0.2795","","","","","","0.95","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226143","23.68444","0.00016","23.68444","0.00016","46.9716","0.0004","90","","90","","90","","26348.8","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.1171","0.0894","","","0.2652","0.2836","","","","","","1.035","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226144","23.88216","0.00009","23.88216","0.00009","46.8514","0.0003","90","","90","","90","","26722.1","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C1016 H1104 Cl48 Co16 N128 O40 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.0954","0.0913","","","0.256","0.2615","","","","","","1.051","","","","has coordinates","185039","2020-10-21","18:00:00",""
"7226145","10.133","0.003","6.7797","0.0017","13.077","0.003","90","","91.44","0.02","90","","898.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br Hg I2 N3 O -","- C15 H10 Br Hg I2 N3 O -","- C30 H20 Br2 Hg2 I4 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0903","0.0718","","","0.1856","0.199","","","","","","1.099","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226146","9.8327","0.0014","6.6591","0.0013","12.8974","0.0017","90","","91.698","0.011","90","","844.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br3 Hg N3 O -","- C15 H10 Br3 Hg N3 O -","- C30 H20 Br6 Hg2 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0952","0.0906","","","0.171","0.192","","","","","","1.149","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226147","7.8032","0.0007","9.6586","0.0009","11.4038","0.0011","78.367","0.007","81.78","0.007","76.496","0.007","814.39","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br Cl2 Hg N3 O -","- C15 H10 Br Cl2 Hg N3 O -","- C30 H20 Br2 Cl4 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0704","0.041","","","0.1046","0.1101","","","","","","1.191","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226148","5.1029","0.0007","13.9355","0.0014","18.293","0.003","90","","92.318","0.011","90","","1299.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N3 O -","- C15 H10 Br N3 O -","- C60 H40 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.091","0.085","","","0.1569","0.1962","","","","","","1.194","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226149","5.0499","0.0007","13.8172","0.0011","18.221","0.002","90","","93.432","0.01","90","","1269.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N3 O -","- C15 H10 Cl N3 O -","- C60 H40 Cl4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.1609","0.0989","","","0.1368","0.1555","","","","","","1.201","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226150","8.5716","0.0007","9.8507","0.0009","11.6901","0.001","103.615","0.007","103.475","0.007","102.305","0.007","894.64","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Cl Hg I2 N3 O -","- C15 H10 Cl Hg I2 N3 O -","- C30 H20 Cl2 Hg2 I4 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0914","0.0763","","","0.1888","0.2029","","","","","","1.044","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226151","7.8587","0.0009","9.8104","0.001","11.5257","0.0013","76.986","0.008","80.953","0.009","75.314","0.009","832.75","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br2 Cl Hg N3 O -","- C15 H10 Br2 Cl Hg N3 O -","- C30 H20 Br4 Cl2 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0756","0.0479","","","0.0975","0.1078","","","","","","1.049","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226152","7.7489","0.0011","9.6446","0.0012","11.3533","0.0013","77.812","0.009","81.537","0.01","76.841","0.01","803.2","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl3 Hg N3 O -","- C15 H10 Cl3 Hg N3 O -","- C30 H20 Cl6 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0625","0.0481","","","0.1119","0.1183","","","","","","1.085","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226153","4.8886","0.0011","6.6448","0.0015","13.171","0.003","90","","96.305","0.005","90","","425.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cu K2 O8 -","- C4 Cu K2 O8 -","- C8 Cu2 K4 O16 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0367","0.0332","","","0.0753","0.0768","","","","","","1.174","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226154","6.904","0.002","8.66","0.003","8.929","0.003","107.95","0.004","99.637","0.004","97.637","0.004","490.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Cu K2 O10 -","- C4 H4 Cu K2 O10 -","- C8 H8 Cu2 K4 O20 -","2","1","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.029","0.0283","","","0.0774","0.0781","","","","","","1.075","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226155","3.7345","0.0007","14.764","0.003","10.742","0.002","90","","93.23","0.03","90","","591.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cu K2 O12 -","- C4 H8 Cu K2 O12 -","- C8 H16 Cu2 K4 O24 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0333","0.0304","","","0.0623","0.064","","","","","","1.132","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226156","8.094","0.002","8.186","0.002","13.626","0.004","104.044","0.015","92.51","0.015","99.071","0.014","861.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-diethylphosphono-4'-biphenyl carboxylic acid methyl ester","","- C18 H21 O5 P -","- C18 H21 O5 P -","- C36 H42 O10 P2 -","2","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0719","0.0595","","","0.1632","0.175","","","","","","1.072","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226157","5.2848","0.0012","8.1031","0.0018","27.371","0.006","90","","91.766","0.012","90","","1171.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H9 O5 P Zn -","- C13 H9 O5 P Zn -","- C52 H36 O20 P4 Zn4 -","4","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.083","0.0681","","","0.152","0.163","","","","","","1.053","","","","has coordinates,has disorder","185042","2020-10-21","18:00:00",""
"7226158","59.003","0.011","5.4907","0.0009","7.8375","0.0012","90","","93.644","0.009","90","","2534","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Hg O5 P -","- C13 H10 Hg O5 P -","- C104 H80 Hg8 O40 P8 -","8","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0932","0.0699","","","0.1646","0.1763","","","","","","1.03","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226159","32.838","0.012","5.3763","0.0019","7.913","0.003","90","","103.531","0.011","90","","1358.2","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 O14 P2 Zn5 -","- C26 H20 O14 P2 Zn5 -","- C52 H40 O28 P4 Zn10 -","2","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.051","0.0412","","","0.0819","0.0851","","","","","","1.011","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226160","6.0355","0.0004","7.298","0.0004","27.8833","0.0018","90","","90","","90","","1228.18","0.13","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C56 H44 I4 O8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0306","0.0287","","","0.0681","0.0687","","","","","","1.11","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226161","9.3961","0.0007","9.545","0.0007","27.323","0.0019","90","","90","","90","","2450.5","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 Cd3 O10 P2 -","- C26 H16 Cd3 O10 P2 -","- C104 H64 Cd12 O40 P8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0322","0.032","","","0.0772","0.0773","","","","","","1.128","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226162","8.6093","0.0004","9.1855","0.0004","9.5881","0.0004","94.55","0.001","94.069","0.001","96.684","0.001","748.24","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Complex 1","","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","1","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.037","0.0362","","","0.143","0.1439","","","","","","1.338","","","","has coordinates,has disorder","185043","2020-10-21","18:00:00",""
"7226163","20.232","0.004","9.072","0.0018","16.015","0.003","90","","116.84","0.03","90","","2622.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Complex 2","","- C10 H12 K O16 Tb -","- C10 H12 K O16 Tb -","- C40 H48 K4 O64 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.0495","0.0481","","","0.1724","0.1771","","","","","","1.014","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226164","9.483","0.0019","13.725","0.003","14.272","0.003","90","","105.18","0.03","90","","1792.7","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Complex 3","","- C12 H16 N O15 Tb -","- C12 H16 N O15 Tb -","- C48 H64 N4 O60 Tb4 -","4","1","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.039","0.0387","","","0.1057","0.106","","","","","","1.116","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226165","16.031","0.003","12.505","0.003","8.4522","0.0017","90","","90","","90","","1694.4","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","Complex 4","","- C10 H14 K O17 Tb -","- C10 H14 K O17 Tb -","- C40 H56 K4 O68 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.0272","0.0227","","","0.0469","0.0489","","","","","","0.897","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226166","7.3614","0.0018","13.234","0.004","13.939","0.004","106.77","0.04","104.9","0.04","98.84","0.04","1217.8","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C24 H68 N8 O32 S4 Zn2 -","2","1","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0367","0.0299","","","0.0757","0.079","","","","","","1.067","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226167","7.3453","0.0018","12.594","0.004","20.074","0.006","80.6","0.03","83.38","0.03","89.56","0.03","1819.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C36 H102 N12 O48 S6 Zn3 -","3","1.5","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0526","0.0407","","","0.1078","0.1117","","","","","","1.038","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226168","10.4863","0.0014","14.79","0.002","10.8544","0.0015","90","","116.161","0.002","90","","1511","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C52 H48 Cl8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0223","0.0183","","","0.0403","0.0418","","","","","","1.032","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226169","9.0862","0.0004","9.3122","0.0004","11.5175","0.0005","84.905","0.001","72.809","0.001","62.775","0.001","826.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetranitratobis(2-acetylpyridylnicotinylhydrozone)dilead(II))","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C26 H24 N12 O14 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0198","0.0192","","","0.0484","0.0487","","","","","","1.079","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226170","7.5527","0.0002","14.5337","0.0005","16.8369","0.0004","102.817","0.002","94.897","0.002","98.141","0.002","1770.85","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N12 O2 Pb2 S4 -","- C30 H24 N12 O2 Pb2 S4 -","- C60 H48 N24 O4 Pb4 S8 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0344","0.0248","","","0.0425","0.0454","","","","","","1.059","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226171","7.8658","0.0007","8.6864","0.0007","11.002","0.0009","100.321","0.004","92.891","0.005","95.189","0.004","734.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C26 H24 Cl4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0182","0.0172","","","0.0434","0.0439","","","","","","1.034","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226172","9.0537","0.0003","23.1055","0.0008","7.8698","0.0003","90","","98.458","0.001","90","","1628.38","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C52 H48 N24 O28 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0437","0.029","","","0.0507","0.0538","","","","","","1.027","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226173","8.6135","0.0004","9.3532","0.0007","11.1952","0.001","87.356","0.007","87.566","0.005","82.906","0.005","893.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 N6 O Pb S2 -","- C15 H12 N6 O Pb S2 -","- C30 H24 N12 O2 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","x-ray","0.71073","MoKα","","0.0363","0.0319","","","0.0773","0.0793","","","","","","1.147","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226185","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226186","17.781","0.0019","9.6259","0.001","11.3461","0.0012","90","","125.714","0.002","90","","1576.8","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-perfluoropyridyl-1,2,3,5-dithiadiazolyl","","- C6 F4 N3 S2 -","- C6 F4 N3 S2 -","- C48 F32 N24 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.0195","0.0133","","","0.0174","0.0177","","","","","","0.926","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226187","7.794","0.002","9.057","0.003","9.169","0.003","90.38","0.03","91.24","0.02","107.59","0.02","616.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N4 O7 Zn2 -","- C9 H7 N4 O7 Zn2 -","- C18 H14 N8 O14 Zn4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0613","0.0472","","","0.1129","0.1192","","","","","","1.04","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226188","11.2006","0.0016","11.1967","0.0016","18.5221","0.0018","90","","121.7","0.006","90","","1976.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N6 O5 Pb -","- C21 H14 N6 O5 Pb -","- C84 H56 N24 O20 Pb4 -","4","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0241","0.0208","","","0.0513","0.0525","","","","","","1.063","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226189","7.8513","0.0002","9.1456","0.0002","10.6941","0.0003","112.083","0.002","108.443","0.002","96.463","0.001","651.18","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 N4 O7 Pb2 -","- C9 H3 N4 O7 Pb2 -","- C18 H6 N8 O14 Pb4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0481","0.0456","","","0.1273","0.1298","","","","","","1.041","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226207","9.8334","0.0005","10.2673","0.0006","15.0986","0.0009","87.742","0.005","89.51","0.004","66.545","0.005","1397.31","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","C1N","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0364","0.0295","","","0.075","0.0778","","","","","","1.022","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226208","10.7768","0.0009","11.0362","0.0008","12.2584","0.0005","85.195","0.005","78.024","0.005","80.116","0.006","1403.3","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C1S","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","0.71073","MoKα","","0.0605","0.0444","","","0.0951","0.1072","","","","","","1.113","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226209","15.7005","0.0007","8.0099","0.0004","10.3633","0.0005","90","","94.374","0.004","90","","1299.49","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C2P","","","- C12 H9 Cu N4 O2 S -","- C12 H9 Cu N4 O2 S -","- C48 H36 Cu4 N16 O8 S4 -","4","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0488","0.0356","","","0.0866","0.0955","","","","","","1.035","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226210","9.8386","0.0007","10.1356","0.0006","14.9963","0.001","90.004","0.005","90.051","0.006","113.105","0.007","1375.48","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C2N","","","- C30 H24 Cu N4 O2 P S -","- C30 H24 Cu N4 O2 P S -","- C60 H48 Cu2 N8 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.043","0.0373","","","0.102","0.1078","","","","","","1.045","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226226","12.0282","0.0019","9.0364","0.0015","8.1578","0.0011","90","","90.601","0.009","90","","886.6","0.2","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","anhydrous sibutramine hydrochloride enantiomer","","- C17 H27 Cl2 N -","- C17 H27 Cl2 N -","- C34 H54 Cl4 N2 -","2","1","","Rosa, F.; Négrier, P.; Espeau, P.","Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability","CrystEngComm","2016","18","36","6903","","10.1039/C6CE01123C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","187043","2020-10-21","18:00:00",""
"7226232","60.91","0.007","60.91","0.007","60.91","0.007","90","","90","","90","","225978","4","296","2","296","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","DUT-63","","- C78 H48 Cu3 N2 O15 -","- C78 H48 Cu3 N2 O15 -","- C1248 H768 Cu48 N32 O240 -","16","0.166667","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1126","0.054","","","0.1205","0.1394","","","","","","0.65","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226233","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-64","","- C52 H32 Cu2 N1.33 O10 -","- C52 H32 Cu2 N1.33333 O10 -","- C312 H192 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1268","0.0771","","","0.2502","0.2861","","","","","","0.827","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226234","35.4","0.004","35.4","0.004","35.4","0.004","90","","90","","90","","44362","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-124","","- C64 H48 Cu2 N1.33 O10 -","- C64 H48 Cu2 N1.33333 O10 -","- C384 H288 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1351","0.1101","","","0.3135","0.3458","","","","","","1.131","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226235","35.51","0.004","35.51","0.004","35.51","0.004","90","","90","","90","","44777","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-125","","- C68 H48 Cu3 N5.33 O10 -","- C64.24 H42.24 Cu3 N5.89333 O10 -","- C385.44 H253.44 Cu18 N35.36 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1009","0.0673","","","0.1999","0.2455","","","","","","1.06","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226236","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-128","","- C82 H64 Cu3 N7.33 O10 -","- C82 H64 Cu3 N7.33333 O10 -","- C492 H384 Cu18 N44 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1558","0.0998","","","0.2748","0.3243","","","","","","1.135","","","","has coordinates,has disorder","188099","2020-10-21","18:00:00",""
"7226237","6.4948","0.0013","8.222","0.0016","20.348","0.004","90","","90.842","0.002","90","","1086.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-chlorobenzaldehyde 2-(2-pyridinyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0513","0.0382","","","0.0942","0.1026","","","","","","1.041","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226238","11.9741","0.0017","4.533","0.0007","20.337","0.003","90","","93.807","0.002","90","","1101.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-pyridinecarboxaldehyde 2-(4-chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0629","0.0386","","","0.0852","0.0952","","","","","","1.029","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226239","29.3899","0.0018","3.8643","0.0003","20.0344","0.0013","90","","108.118","0.005","90","","2162.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2pyridinecarboxaldehyde2(4chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C96 H80 Cl8 N24 -","8","2","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0862","0.0652","","","0.1341","0.1456","","","","","","1.101","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226240","16.787","0.004","3.9475","0.0009","17.596","0.004","90","","108.296","0.016","90","","1107.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde2(4bromophenyl)hydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C48 H40 Br4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0228","0.0222","","","0.0556","0.0567","","","","","","1.066","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226241","17.057","0.0007","3.867","0.0002","18.2283","0.0007","90","","115.093","0.002","90","","1088.85","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-pyrcarboxaldehyde-2-(4-CNphenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0995","0.0798","","","0.2227","0.2489","","","","","","1.077","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226242","13.1678","0.0011","4.2065","0.0004","20.2522","0.0018","90","","93.427","0.004","90","","1119.77","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde 2(4-cyanophenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0435","0.04","","","0.1193","0.125","","","","","","1.135","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226243","12.552","0.005","3.962","0.003","25.17","0.02","90","","102.71","0.03","90","","1221.1","1.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-CNbenzaldehyde 2-(5Br-2pyridinyl)hydrazone","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0489","0.0411","","","0.0882","0.0954","","","","","","1.128","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226244","6.7356","0.001","10.0422","0.0015","10.4886","0.0016","94.501","0.002","105.094","0.002","98.124","0.002","673.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Br-2-pyrcarboxaldehyde-4-CNphenylhydrazoneH2O","","- C13 H11 Br N4 O -","- C13 H11 Br N4 O -","- C26 H22 Br2 N8 O2 -","2","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0332","0.0267","","","0.0597","0.0621","","","","","","1.046","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226264","8.8698","0.0002","10.69","0.0003","17.5273","0.0005","90","","96.988","0.003","90","","1649.56","0.08","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C31 H36 Au2 Cl2 N4 O P2 -","- C31 H36 Au2 Cl2 N4 O P2 -","- C62 H72 Au4 Cl4 N8 O2 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.0342","0.0262","","","0.0472","0.0494","","","","","","1.053","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226265","24.029","0.004","16.9105","0.0016","12.0433","0.0018","90","","124.55","0.02","90","","4030.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C136 H168 Au8 Cl8 N16 O8 P8 -","4","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.049","0.0352","","","0.082","0.0879","","","","","","1.057","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226266","15.3277","0.0005","8.872","0.0002","14.8008","0.0006","90","","112.309","0.004","90","","1862.07","0.12","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H30 Au2 Cl2 N4 P2 -","- C28 H30 Au2 Cl2 N4 P2 -","- C56 H60 Au4 Cl4 N8 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","1.54184","CuKα","","0.0508","0.0444","","","0.1093","0.1137","","","","","","1.052","","","","has coordinates","188067","2020-10-21","18:00:00",""
"7226267","5.9472","0.0011","7.7189","0.0016","17.425","0.003","92.183","0.008","95.095","0.008","106.851","0.008","760.8","0.3","150","2","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","1","0.5","","Angeloski, Alexander; Hook, James M.; Bhadbhade, Mohan; Baker, Anthony T.; McDonagh, Andrew M.","Intramolecular H⋯S interactions in metal di-(isopropyl)dithiocarbamate complexes","CrystEngComm","2016","18","37","7070","","10.1039/C6CE01475E","","","0.71073","MoKα","","0.0451","0.0323","","","0.0655","0.0702","","","","","","1.036","","","","has coordinates","187048","2020-10-21","18:00:00",""
"7226268","10.2754","0.0003","16.2306","0.0004","8.8043","0.0003","90","","111.265","0.003","90","","1368.37","0.08","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Fe N10 Ni O6 -","- C16 H36 Fe N10 Ni O6 -","- C32 H72 Fe2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","x-ray","0.71073","MoKα","","0.0462","0.0307","","","0.0654","0.0731","","","","","","1.067","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226269","10.5579","0.0005","16.3314","0.0006","8.8748","0.0004","90","","112.254","0.003","90","","1416.26","0.11","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Cr N10 Ni O6 -","- C16 H36 Cr N10 Ni O6 -","- C32 H72 Cr2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","","0.71073","MoKα","","0.0585","0.0367","","","0.0618","0.0679","","","","","","1.044","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226270","9.8002","0.0014","11.9983","0.0017","10.126","0.0011","90","","102.646","0.019","90","","1161.8","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 Cr N10 Ni -","- C16 Cr N10 Ni -","- C32 Cr2 N20 Ni2 -","2","1","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","powder diffraction","x-ray","1.5418","CuKaradiation","","0.2233","0.1852","","0.1895","0.1839","","","","3.37","","","","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226290","8.4368","0.001","8.4962","0.0002","11.8803","0.001","100.565","0.011","107.57","","105.95","","746.94","0.12","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F4 I2 N2 -","- C13 H6 F4 I2 N2 -","- C26 H12 F8 I4 N4 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0432","0.0265","","","0.0563","0.0592","","","","","","0.882","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226291","7.5682","0.0017","13.372","0.003","14.198","0.002","90","","105.457","0.001","90","","1384.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F4 I2 N2 -","- C11 H6 F4 I2 N2 -","- C44 H24 F16 I8 N8 -","4","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0708","0.053","","","0.1326","0.1387","","","","","","0.922","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226292","6.1553","0.0003","9.6907","0.0006","10.8382","0.0005","113.014","0.005","96.686","0.004","104.202","0.005","560.28","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0225","0.0199","","","0.0487","0.0492","","","","","","1.078","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226293","8.43","0.0007","5.6597","0.0004","31.14","0.002","90","","94.781","0.007","90","","1480.56","0.19","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F4 I2 N2 O2 -","- C32 H22 F4 I2 N2 O2 -","- C64 H44 F8 I4 N4 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0693","0.0333","","","0.0905","0.0956","","","","","","0.898","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226294","9.4529","0.0006","10.6844","0.0008","12.1719","0.0017","96.727","0.002","112.766","0.004","103.57","0.006","1071.87","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F4 I2 N4 O4 -","- C18 H12 F4 I2 N4 O4 -","- C36 H24 F8 I4 N8 O8 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.1048","0.0373","","","0.0795","0.141","","","","","","0.818","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226295","6.0259","0.0003","8.6495","0.0004","20.3527","0.0013","90","","93.507","0.005","90","","1058.82","0.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F4 I2 N4 O2 -","- C18 H16 F4 I2 N4 O2 -","- C36 H32 F8 I4 N8 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0489","0.0286","","","0.0666","0.0916","","","","","","0.995","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226296","11.2748","0.0002","6.6501","0.0001","14.17","0.0002","90","","108.596","0.001","90","","1006.98","0.03","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br2 Hg N2 Si2 -","- C14 H20 Br2 Hg N2 Si2 -","- C28 H40 Br4 Hg2 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0509","0.0468","","","0.1097","0.1113","","","","","","1.008","","","","has coordinates,has disorder","187045","2020-10-21","18:00:00",""
"7226297","12.8706","0.0007","8.2506","0.0005","13.8348","0.001","90","","113.876","0.005","90","","1343.4","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C28 H44 Br10 Cl2 Hg4 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.1226","0.0594","","","0.1345","0.1436","","","","","","0.693","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226298","9.5172","0.0004","13.6206","0.0004","16.3559","0.0005","90","","98.7","0.002","90","","2095.82","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Hg I2 N2 Si2 -","- C14 H20 Hg I2 N2 Si2 -","- C56 H80 Hg4 I8 N8 Si8 -","4","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0431","0.0423","","","0.1131","0.1141","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226299","8.3261","0.0002","22.1706","0.0004","8.2547","0.0002","90","","111.042","0.001","90","","1422.16","0.06","194","2","194","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C28 H44 Cl4 Hg4 I8 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0434","0.0372","","","0.0958","0.0988","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226308","14.7508","0.0009","16.1947","0.001","17.6138","0.0011","75.197","0.002","79.775","0.003","80.709","0.003","3973.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","A-2-4 HOOC-CVT, 2-H2N-4-Cl-5-Br-6-H3C-pyrimidine","","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.0979","0.0664","","","0.1843","0.2085","","","","","","1.069","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226309","29.225","0.003","11.4565","0.0011","23.889","0.002","90","","99.091","0.005","90","","7898","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","A-2-6 CVT-COOH, 4,4'-bipyridyl","","- C85 H102 N5 O19 -","- C85 H102 N5 O19 -","- C340 H408 N20 O76 -","4","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.1113","0.0807","","","0.2301","0.2602","","","","","","1.067","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226322","11.6009","0.0007","13.0363","0.0008","15.2941","0.0009","106.333","0.002","96.656","0.002","106.04","0.002","2085.7","0.2","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O2 Se -","- C22 H23 I N O2 Se -","- C88 H92 I4 N4 O8 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0733","0.0619","","","0.1524","0.1586","","","","","","1.038","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226323","11.8766","0.0003","12.7576","0.0004","15.3353","0.0004","105.477","0.001","97.106","0.001","105.185","0.001","2113.78","0.1","120","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O3 Se -","- C22 H23 I N O3 Se -","- C88 H92 I4 N4 O12 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0331","0.0258","","","0.0594","0.0609","","","","","","1.019","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226324","7.3704","0.0004","10.8423","0.0005","14.5069","0.0007","107.977","0.002","100.703","0.002","93.136","0.002","1075.69","0.09","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 I N O3.3 Se -","- C21 H24 I N O3.3 Se -","- C42 H48 I2 N2 O6.6 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0342","0.0234","","","0.0433","0.0461","","","","","","1.0319","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226325","15.211","0.0003","14.7644","0.0003","21.0641","0.0004","90","","108.775","0.001","90","","4478.89","0.16","120","","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I3 N O2 Se -","- C19 H20 I3 N O2 Se -","- C152 H160 I24 N8 O16 Se8 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0537","0.0283","","","0.0487","0.0543","","","","","","0.8934","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226326","7.5216","0.0004","29.2202","0.0016","11.113","0.0006","90","","93.721","0.005","90","","2437.3","0.2","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.087","0.052","","","0.0958","0.1078","","","","","","1.034","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226327","7.5964","0.0007","29.113","0.003","10.9942","0.0009","90","","96.454","0.004","90","","2416","0.4","120","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.1764","0.0557","","","0.0661","0.0813","","","","","","0.724","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226328","7.2675","0.0002","12.9365","0.0006","15.3429","0.0006","108.909","0.004","92.576","0.003","96.008","0.003","1352.36","0.1","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0687","0.0535","","","0.1073","0.114","","","","","","1.097","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226329","7.2613","0.0003","12.9355","0.0007","15.3053","0.0009","109.055","0.005","92.175","0.004","96.618","0.004","1345.4","0.13","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0546","0.0416","","","0.0909","0.0961","","","","","","1.037","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226330","6.241","0.004","9.506","0.007","18.651","0.013","99.873","0.015","93.89","0.015","105.674","0.014","1042","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 F6 N2 O3 P -","- C17 H27 F6 N2 O3 P -","- C34 H54 F12 N4 O6 P2 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1085","0.0748","","","0.2235","0.2456","","","","","","1.086","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226331","5.3095","0.0018","7.917","0.003","23.201","0.008","84.701","0.007","83.488","0.007","80.058","0.008","951.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1806","0.0685","","","0.1474","0.2048","","","","","","0.971","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226332","4.6813","0.0003","8.4396","0.0005","23.3456","0.0015","80.193","0.002","88.216","0.002","80.574","0.002","896.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Br N2 O3 -","- C17 H27 Br N2 O3 -","- C34 H54 Br2 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.029","0.0248","","","0.0678","0.0844","","","","","","1.23","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226333","6.9325","0.0004","9.5052","0.0006","15.5569","0.001","100.851","0.003","90.364","0.002","104.223","0.002","974.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 B F4 N2 O3 -","- C17 H27 B F4 N2 O3 -","- C34 H54 B2 F8 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.0465","0.0398","","","0.1109","0.1233","","","","","","1.081","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226334","7.0445","0.0002","17.1474","0.0005","10.9776","0.0004","90","","107.251","0.004","90","","1266.39","0.07","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)acrylonitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Ceballos, Paulina; Soriano-Moro, Guillermo; Rodríguez, Oscar; Chapela, Víctor M.; Castro, M. Eugenia; Bonilla-Cruz, J.; Siegler, Maxime A.","Changes in the luminescence emission of α,β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect","CrystEngComm","2016","18","39","7554","","10.1039/C6CE01391K","","","1.54178","CuKα","","0.0446","0.0393","","","0.0989","0.1034","","","","","","1.037","","","","has coordinates","188072","2020-10-21","18:00:00",""
"7226336","8.9957","0.0011","10.0831","0.0013","10.4133","0.0014","89.154","0.005","71.747","0.005","64.264","0.005","799.87","0.18","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.041","0.0312","","","0.0783","0.0842","","","","","","1.055","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226337","9.0188","0.0009","10.1722","0.001","10.4719","0.001","88.254","0.005","71.579","0.005","64.025","0.005","812.82","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0948","0.0445","","","0.0977","0.1201","","","","","","1.026","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226338","9.0278","0.0009","10.2654","0.001","10.6009","0.0011","75.203","0.005","70.936","0.005","64.122","0.005","828.05","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0287","0.021","","","0.0493","0.0517","","","","","","1.049","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226339","9.0497","0.0009","10.3158","0.001","10.669","0.0011","76.068","0.005","70.779","0.005","64.511","0.005","843.19","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0353","0.0239","","","0.0558","0.0603","","","","","","1.02","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226340","9.2387","0.0009","10.497","0.001","10.8284","0.0011","88.215","0.005","69.551","0.005","64.302","0.005","877.57","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0198","0.0175","","","0.0408","0.0421","","","","","","1.072","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7226341","9.2547","0.0009","10.6163","0.0011","10.8929","0.0011","74.976","0.005","69.459","0.005","64.157","0.005","894.76","0.16","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0288","0.0235","","","0.0509","0.054","","","","","","1.046","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226342","3.7762","0.0004","5.8688","0.0007","10.3157","0.0012","90.165","0.005","95.411","0.005","99.256","0.005","224.59","0.04","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0477","0.0366","","","0.0897","0.1012","","","","","","1.059","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226343","3.8373","0.0006","5.9282","0.0007","10.3247","0.0014","90.671","0.007","95.227","0.008","100.693","0.008","229.73","0.06","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0953","0.0582","","","0.1378","0.1709","","","","","","1.073","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226345","10.393","0.002","14.018","0.003","14.24","0.003","117.59","0.03","93.18","0.03","98.27","0.03","1801.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.065","0.0532","","","0.1332","0.1422","","","","","","1.055","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226346","20.7373","0.0016","17.9433","0.0014","10.9131","0.0008","90","","91.475","0.007","90","","4059.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40.25 H35.15 Br0.1 Cu2.1 N6.65 O14.45 -","- C38 H29.9 Br0.1 Cu2.1 N5.9 O13.7 -","- C152 H119.6 Br0.4 Cu8.4 N23.6 O54.8 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.71073","MoKα","","0.0788","0.0583","","","0.1579","0.1685","","","","","","1.074","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226347","11.014","0.002","13.053","0.003","14.145","0.003","63.88","0.03","79.87","0.03","89.57","0.03","1791.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H60.5 Mn3 N11.5 O26.5 -","- C68 H50 Mn3 N8 O19 -","- C68 H50 Mn3 N8 O19 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.1094","0.0788","","","0.2133","0.233","","","","","","1.06","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226348","20.889","0.004","18.004","0.004","10.913","0.002","90","","91.36","0.03","90","","4103.1","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C72.25 H50.25 Br1.2 Cu1.2 N10.55 O26.15 Zn4 -","- C70 H45 Br1.2 Cu1.2 N9.8 O25.4 Zn4 -","- C140 H90 Br2.4 Cu2.4 N19.6 O50.8 Zn8 -","2","0.25","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0771","0.076","","","0.2121","0.2127","","","","","","1.055","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226349","23.128","0.005","14.043","0.003","23.412","0.005","90","","95.37","0.03","90","","7571","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75.5 H69.5 Co3 N12.5 O28.5 -","- C68 H52 Co3 N10 O26 -","- C272 H208 Co12 N40 O104 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0483","0.0453","","","0.1181","0.1199","","","","","","1.048","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226356","14.174","0.004","18.194","0.005","26.052","0.006","90","","90","","90","","6718","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Na3 O26 -","- C73 H67 Na3 O26 -","- C292 H268 Na12 O104 -","4","1","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1782","0.0677","","","0.1638","0.211","","","","","","0.982","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226357","14.84","0.002","17.911","0.003","31.01","0.005","79.663","0.011","86.268","0.011","82.469","0.012","8031","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H61.5 Na3 O24.25 -","- C72 H61.5 Na3 O24.25 -","- C288 H246 Na12 O97 -","4","2","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.3084","0.1435","","","0.3559","0.405","","","","","","0.878","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226358","21.041","0.004","21.041","0.004","16.456","0.003","90","","90","","90","","7285","2","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Na4 O26 S2 -","- C76 H72 Na4 O26 S2 -","- C304 H288 Na16 O104 S8 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1946","0.0689","","","0.1234","0.1666","","","","","","0.973","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226359","21.0771","0.0007","21.0771","0.0007","16.6303","0.0005","90","","90","","90","","7387.9","0.4","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C78 H74 N2 Na4 O26 -","- C78 H74 N2 Na4 O26 -","- C312 H296 N8 Na16 O104 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1725","0.0662","","","0.1548","0.2141","","","","","","1.005","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226360","23.156","0.003","23.156","0.003","13.081","0.0016","90","","90","","90","","7014","1.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H64 Cl N30 O25 -","- C62 H64 Cl N30 O27 -","- C248 H256 Cl4 N120 O108 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1112","0.0985","","","0.2363","0.2457","","","","","","1.106","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226361","28.597","0.002","27.378","0.002","19.9414","0.0015","90","","124.639","0.001","90","","12845.3","1.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C99.5 H112.5 N56 O41 -","- C100 H115 N56 O41 -","- C400 H460 N224 O164 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1041","0.0801","","","0.2379","0.2553","","","","","","1.111","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226362","24.382","0.002","23.126","0.002","27.053","0.003","90","","109.521","0.001","90","","14377","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 Br6 N40 O28 -","- C126 H142 Br6 N40 O28 -","- C504 H568 Br24 N160 O112 -","4","1","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1245","0.0779","","","0.2163","0.2408","","","","","","1.059","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226392","12.0794","0.0012","8.0555","0.0009","20.207","0.003","90","","90","","90","","1966.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 Ho2 O19 -","- C9 H6 Ho2 O19 -","- C36 H24 Ho8 O76 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0814","0.0831","","","","","","1.227","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226393","17.15","0.002","12.284","0.002","11.144","0.002","90","","127.549","0.013","90","","1861.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 O18 Sm2 -","- C9 H6 O18 Sm2 -","- C36 H24 O72 Sm8 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.043","0.0321","","","0.0797","0.0897","","","","","","1.16","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226394","11.3106","0.0007","12.6698","0.0012","14.7397","0.0015","90","","90","","90","","2112.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H22 Ce2 O20 -","- C9 H6 Ce2 O20 -","- C36 H24 Ce8 O80 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0624","0.0415","","","0.0926","0.1024","","","","","","1.109","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226395","7.6281","0.0008","12.8621","0.0013","8.8824","0.0011","90","","101.279","0.008","90","","854.65","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 Ce2 O17 -","- C9 H6 Ce2 O17 -","- C18 H12 Ce4 O34 -","2","1","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0337","0.0297","","","0.0653","0.0667","","","","","","1.078","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226403","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","188090","2020-10-21","18:00:00",""
"7226404","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","188090","2020-10-21","18:00:00",""
"7226405","10.5847","0.0006","8.8751","0.0005","16.2063","0.0009","90","","106.21","0.006","90","","1461.9","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C60 H52 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0757","0.0531","","","0.085","0.0956","","","","","","1.017","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226406","22.884","0.003","8.3045","0.0006","15.2009","0.0012","90","","101.047","0.008","90","","2835.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C120 H104 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0432","0.036","","","0.1107","0.1222","","","","","","1.092","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226407","7.6645","0.0006","7.8706","0.0007","12.6909","0.0012","107.745","0.006","99.244","0.007","97.038","0.006","707.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0527","0.0363","","","0.1056","0.117","","","","","","1.061","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226408","7.6357","0.0005","8.2456","0.0008","11.8464","0.0006","97.352","0.006","104.485","0.005","96.981","0.007","707","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.05","0.0382","","","0.0648","0.0709","","","","","","1.077","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226409","12.4078","0.0012","15.0565","0.0012","15.0342","0.0011","90","","97.887","0.008","90","","2782.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 S2 -","- C15 H11 N3 S2 -","- C120 H88 N24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1438","0.0954","","","0.1797","0.1939","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226410","8.079","0.005","9.344","0.006","9.702","0.006","100.825","0.013","94.448","0.013","105.221","0.012","687.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C30 H26 N6 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0621","0.0394","","","0.0751","0.0793","","","","","","1.078","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226411","15.4084","0.0008","7.7845","0.0004","27.4631","0.0014","90","","90","","90","","3294.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl N3 O2 S -","- C15 H16 Cl N3 O2 S -","- C120 H128 Cl8 N24 O16 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0866","0.0397","","","0.0578","0.0654","","","","","","1.085","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226412","8.335","0.0016","7.321","0.0018","14.859","0.003","90","","91.577","0.013","90","","906.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl N3 O6 S -","- C15 H16 Cl N3 O6 S -","- C30 H32 Cl2 N6 O12 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.096","0.0626","","","0.1456","0.1797","","","","","","1.057","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226413","8.3706","0.0012","18.536","0.002","21.658","0.003","90","","99.199","0.01","90","","3317.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Cl N4 O S -","- C31 H49 Cl N4 O S -","- C124 H196 Cl4 N16 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1229","0.0609","","","0.133","0.1531","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226414","8.4037","0.0012","10.2399","0.0015","19.874","0.003","97.051","0.007","95.211","0.007","94.056","0.007","1684.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C62 H102 Cl2 N8 O4 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0738","0.0497","","","0.0946","0.1024","","","","","","1.055","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226415","11.5868","0.0016","15.626","0.002","19.065","0.002","90","","98.02","0.009","90","","3418.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C124 H204 Cl4 N16 O8 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1919","0.0902","","","0.1919","0.2324","","","","","","1.096","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226416","8.4428","0.0008","22.3348","0.0019","7.7119","0.0007","90","","106.99","0.006","90","","1390.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0718","0.0439","","","0.0725","0.0811","","","","","","1.071","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226417","16.1738","0.0012","16.3065","0.0012","17.2609","0.0012","111.457","0.0019","110.595","0.002","96.01","0.002","3821.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 La2 N6 O18 S6 -","- C60 H60 La2 N6 O18 S6 -","- C120 H120 La4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.101","0.0869","","","0.2309","0.2367","","","","","","1.064","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226418","16.1339","0.0006","16.3437","0.0006","17.2177","0.0006","111.101","0.001","110.695","0.001","96.1766","0.0012","3816.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Ce2 N6 O18 S6 -","- C60 H60 Ce2 N6 O18 S6 -","- C120 H120 Ce4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0737","0.0548","","","0.1619","0.1716","","","","","","1.148","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226419","16.123","0.0008","16.3385","0.0008","17.2058","0.0008","110.634","0.001","110.904","0.001","96.368","0.001","3814.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 N6 O18 Pr2 S6 -","- C60 H60 N6 O18 Pr2 S6 -","- C120 H120 N12 O36 Pr4 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","mokα","","0.0572","0.05","","","0.1496","0.156","","","","","","0.965","","","","has coordinates,has disorder","189829","2020-10-21","18:00:00",""
"7226420","16.0585","0.0007","16.3646","0.0007","17.1438","0.0007","110.363","0.0007","111.01","0.0007","96.5967","0.0008","3792.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","1","0.5","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.074","0.0502","","","0.1567","0.1777","","","","","","1.123","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226421","16.0536","0.0006","16.3481","0.0007","17.1341","0.0007","110.266","0.001","111.024","0.001","96.714","0.001","3785.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H73 Eu2 N7 O20 S7 -","- C65 H73 Eu2 N7 O20 S7 -","- C130 H146 Eu4 N14 O40 S14 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0732","0.0543","","","0.1574","0.1765","","","","","","1.046","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226422","16.0917","0.0006","16.3567","0.0006","17.1769","0.0006","110.724","0.001","110.848","0.001","96.387","0.001","3803.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 Nd2 O18 S5 -","- C59 H58 N6 Nd2 O18 S5 -","- C118 H116 N12 Nd4 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0616","0.0531","","","0.1658","0.173","","","","","","1.096","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226423","16.0579","0.0007","16.2365","0.0007","17.1282","0.0008","109.654","0.001","111.356","0.001","96.945","0.001","3763","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Gd2 N6 O18 S5 -","- C59 H58 Gd2 N6 O18 S5 -","- C118 H116 Gd4 N12 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0757","0.0545","","","0.1762","0.1931","","","","","","1.105","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226424","16.029","0.0007","16.2743","0.0007","17.1155","0.0007","109.868","0.001","111.261","0.001","96.858","0.001","3760.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 O18 S5 Tb2 -","- C59 H58 N6 O18 S5 Tb2 -","- C118 H116 N12 O36 S10 Tb4 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0796","0.0565","","","0.1771","0.1945","","","","","","1.211","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226450","8.7785","0.0004","9.7547","0.0004","10.2957","0.0005","93.527","0.002","101.291","0.002","102.406","0.002","839.43","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N10 O8 -","- C11 H16 N10 O8 -","- C22 H32 N20 O16 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0437","0.0373","","","0.1066","0.1137","","","","","","1.059","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226451","12.7602","0.0004","9.0277","0.0004","17.1544","0.0007","90","","95.503","0.003","90","","1967","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N5 O5 -","- C6 H11 N5 O5 -","- C48 H88 N40 O40 -","8","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0392","0.0342","","","0.0955","0.0996","","","","","","1.033","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226452","7.7868","0.0014","10.0032","0.0018","10.6058","0.0019","72.744","0.006","70.282","0.006","75.842","0.006","733","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H19.16 N8 O6.59 -","- C7 H16 N8 O6.5833 -","- C14 H32 N16 O13.1666 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0559","0.0431","","","0.1234","0.1322","","","","","","1.055","","","","has coordinates,has disorder","188074","2020-10-21","18:00:00",""
"7226453","3.9966","0.0002","12.0312","0.0006","15.5723","0.0009","71.941","0.002","89.275","0.002","84.754","0.002","708.81","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H18 N10 O5 -","- C7 H18 N10 O5 -","- C14 H36 N20 O10 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0532","0.0413","","","0.1095","0.1196","","","","","","0.99","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7226454","7.3538","0.0004","6.7","0.0004","24.9855","0.0015","90","","95.147","0.002","90","","1226.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[BIM+][SA-]","benzimidazolium salicylate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0477","0.0392","","","0.1006","0.1072","","","","","","1.06","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226455","6.9999","0.0014","16.7","0.003","11.685","0.002","90","","101.81","0.03","90","","1337","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ADE+][SA-]H2O","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0865","0.0589","","","0.1418","0.1574","","","","","","1.018","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226456","9.6386","0.0019","8.5322","0.0017","13.91","0.003","90","","109.93","0.03","90","","1075.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CYT+][SA-]","Cytosinium salicylate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C44 H44 N12 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0441","0.0369","","","0.0995","0.1053","","","","","","1.048","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226457","9.909","0.002","9.817","0.002","22.872","0.005","90","","102.12","0.03","90","","2175.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2[BIM+][SSA-2]H2O","Di-benzimidazolium sulfosalicylate monohydrate","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0478","0.039","","","0.1012","0.107","","","","","","1.053","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226458","6.7311","0.0013","10.314","0.002","10.743","0.002","85.32","0.03","85.11","0.03","86.41","0.03","739.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[ADE+][SSA-]H2O","Adeninium sulfosalicylate monohydrate","","- C12 H13 N5 O7 S -","- C12 H13 N5 O7 S -","- C24 H26 N10 O14 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0556","0.0423","","","0.1018","0.1098","","","","","","1.035","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226459","7.2974","0.0015","8.4044","0.0017","15.47","0.003","77.82","0.03","83.19","0.03","88.82","0.03","920.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[CYT+][SAA-][CYT]H2O","Cytosinium sulfosalicylate cytosine monohydrate","","- C15 H18 N6 O9 S -","- C15 H18 N6 O9 S -","- C30 H36 N12 O18 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0785","0.045","","","0.1088","0.1256","","","","","","1.007","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226460","6.9579","0.0014","9.6421","0.0019","14.749","0.003","101.51","0.03","101.98","0.03","98.62","0.03","929.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FCYT+][SAA-][FCYT]","Fluorocytosinium sulfosalicylate fluorocytosine","","- C15 H14 F2 N6 O8 S -","- C15 H14 F2 N6 O8 S -","- C30 H28 F4 N12 O16 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0552","0.0387","","","0.0952","0.1048","","","","","","1.037","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226461","16.1475","0.0014","12.516","0.0011","19.8687","0.0017","90","","93.321","0.001","90","","4008.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 O11 Zn2 -","- C23 H11 O11 Zn2 -","- C92 H44 O44 Zn8 -","4","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.0627","0.0444","","","0.1048","0.1097","","","","","","1.047","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226462","29.218","0.003","11.1912","0.0011","22.9833","0.0017","90","","90","","90","","7515.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H23 Cd2 N2 O12 -","- C29 H23 Cd2 N2 O12 -","- C232 H184 Cd16 N16 O96 -","8","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.106","0.0662","","","0.1895","0.2155","","","","","","1.023","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226463","28.166","0.003","28.166","0.003","9.7199","0.0009","90","","90","","90","","7711","1.4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H50 N4 O24 Zn3 -","- C56 H50 N4 O24 Zn3 -","- C224 H200 N16 O96 Zn12 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.062","","","0.1621","0.1664","","","","","","1.051","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226464","29.22","0.002","29.22","0.002","9.3882","0.0009","90","","90","","90","","8015.7","1.1","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H64 Cd3 N6 O24 -","- C60 H64 Cd3 N6 O24 -","- C240 H256 Cd12 N24 O96 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.0505","","","0.1257","0.1361","","","","","","1.018","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226465","13.4384","0.0014","17.4194","0.0018","16.514","0.0017","90","","104.02","0.001","90","","3750.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Ag O4 P2 S -","- C42 H32 Ag O4 P2 S -","- C168 H128 Ag4 O16 P8 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0438","0.0352","","","0.0821","0.0866","","","","","","1.052","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226466","10.372","0.0012","5.6131","0.0006","30.25","0.003","90","","97.097","0.001","90","","1747.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ag2 N4 O4 S -","- C16 H14 Ag2 N4 O4 S -","- C64 H56 Ag8 N16 O16 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0443","0.0403","","","0.0859","0.088","","","","","","1.028","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226467","11.962","0.0014","11.315","0.0013","36.656","0.004","90","","90","","90","","4961.4","1","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ag2 N8 O7 S -","- C18 H32 Ag2 N8 O7 S -","- C144 H256 Ag16 N64 O56 S8 -","8","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0378","0.0334","","","0.0768","0.0787","","","","","","1.147","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226468","10.852","0.0003","14.2506","0.0006","19.6911","0.0008","96.202","0.003","103.112","0.003","94.223","0.003","2933.2","0.2","300","1","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N3 O5 S -","- C25 H47 N3 O5 S -","- C100 H188 N12 O20 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.0789","0.0564","","","0.1675","0.1933","","","","","","1.031","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226469","9.33311","0.00013","18.8139","0.0003","15.7107","0.0002","90","","90","","90","","2758.68","0.07","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H47 N3 O5 S -","- C24 H47 N3 O5 S -","- C96 H188 N12 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.075","0.0764","","","","","","1.031","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226470","19.1853","0.0005","16.9662","0.0004","19.0342","0.0005","90","","109.85","0.003","90","","5827.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 N8 O13 S2 -","- C48 H90 N8 O13 S2 -","- C192 H360 N32 O52 S8 -","4","0.5","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.086","0.0794","","","0.2289","0.2406","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226471","19.4863","0.0008","16.95","0.0006","19.0704","0.0005","90","","110.145","0.004","90","","5913.5","0.4","100","1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 F3 N3 O4.5 S -","- C25 H45 F3 N3 O4.5 S -","- C200 H360 F24 N24 O36 S8 -","8","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.069","0.0602","","","0.1485","0.1558","","","","","","1.045","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226472","12.3465","0.0007","13.2148","0.0009","20.8662","0.001","78.866","0.005","76.851","0.004","82.631","0.005","3240.1","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 F3 N3 O4 S2.5 -","- C52 H96 F6 N6 O8 S5 -","- C104 H192 F12 N12 O16 S10 -","2","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0819","0.0543","","","0.1208","0.1386","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226473","13.3272","0.0004","20.7771","0.0006","22.3152","0.0006","90","","92.086","0.003","90","","6175","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 F6 N3 O4 S -","- C26 H43 F6 N3 O4 S -","- C208 H344 F48 N24 O32 S8 -","8","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.058","0.0446","","","0.1054","0.1148","","","","","","1.017","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226474","12.1225","0.0005","13.1483","0.0004","21.4144","0.0011","74.424","0.004","87.1","0.004","84.476","0.003","3271.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 F6 N3 O4 S2 -","- C26 H45 F6 N3 O4 S2 -","- C104 H180 F24 N12 O16 S8 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.1342","0.111","","","0.3006","0.3293","","","","","","1.055","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226475","4.8741","0.0003","6.3672","0.0004","40.456","0.003","90","","90","","90","","1255.53","0.14","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N2 Na O5 S -","- C9 H10 F3 N2 Na O5 S -","- C36 H40 F12 N8 Na4 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0697","0.0701","","","","","","1.066","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226476","9.1526","0.0003","12.9487","0.0005","13.3592","0.0006","93.444","0.004","97.949","0.003","92.527","0.003","1563.01","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 N3 O4 S -","- C14 H14 F3 N3 O4 S -","- C56 H56 F12 N12 O16 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0441","0.0424","","","0.1103","0.1113","","","","","","1.128","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226499","11.196","0.0007","13.4174","0.0009","16.1522","0.001","70.32","0.001","70.03","0.001","86.337","0.001","2143.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1","","","- C24 H32 N10 O34 Pr2 -","- C24 H36 N10 O34 Pr2 -","- C48 H72 N20 O68 Pr4 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0228","0.019","","","0.0469","0.05","","","","","","1.04","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226500","15.0627","0.001","16.6949","0.0011","18.0047","0.0012","115.295","0.001","101.985","0.001","90.845","0.001","3976.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","2","","","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C110 H90 Cu14 I14 N26 O45 Pr6 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.024","0.0197","","","0.043","0.0444","","","","","","1.011","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226501","15.289","0.006","8.168","0.003","28.995","0.011","90","","100.646","0.005","90","","3559","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C42 H39 Cu8 I8 N9 O16.5 Pr2 -","- C44 H32 Cu8 I8 N10 O17 Pr2 -","- C88 H64 Cu16 I16 N20 O34 Pr4 -","2","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0435","0.0367","","","0.0931","0.0972","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226502","15.095","0.0004","25.0532","0.0008","29.7588","0.0008","90","","107.936","0.001","90","","10707.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-Pr","","","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C276 H280 Cu48 I48 N56 O92 Pr12 -","4","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0364","0.0318","","","0.0731","0.0752","","","","","","1.046","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226503","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226504","30.332","0.004","46.354","0.006","18.13","0.003","90","","116.729","0.002","90","","22767","6","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","6","","","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C234.4 H160 Cu48 I48 K4 N40 O121.6 Pr12 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.223","0.1302","","","0.3437","0.4407","","","","","","1.08","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226505","42.221","0.005","30.379","0.004","27.178","0.003","90","","90","","90","","34859","7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","7","","","- C51 H32 Cs0 Cu8 I8 N10 O31 Pr4 -","- C51 H39 Cu8 I8 N10 O31 Pr4 -","- C408 H312 Cu64 I64 N80 O248 Pr32 -","8","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.1046","0.0639","","","0.1834","0.2025","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226506","5.0952","0.001","13.021","0.003","6.8264","0.0014","90","","105.26","0.03","90","","436.93","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Hg N5 -","- C H2 Hg N5 -","- C4 H8 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0618","0.0594","","","0.1491","0.1528","","","","","","1.087","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226507","8.1233","0.0013","6.9274","0.0011","8.7456","0.0014","90","","93.122","0.002","90","","491.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C4 H8 Cl4 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0259","0.0249","","","0.065","0.0658","","","","","","1.055","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226508","5.8459","0.0013","6.9731","0.0015","6.1725","0.0013","90","","94.27","0.002","90","","250.92","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C2 H4 Cl2 Hg2 N10 -","2","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0604","0.054","","","0.1323","0.1405","","","","","","1.131","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226509","7.2488","0.001","6.2654","0.0008","10.1326","0.0013","90","","90","","90","","460.19","0.1","296","2","296","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C7 H6 Hg N6 O2 -","- C7 H6 Hg N6 O2 -","- C14 H12 Hg2 N12 O4 -","2","0.25","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0432","0.0431","","","0.1065","0.1067","","","","","","1.001","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226528","18.7531","0.0008","25.0061","0.0011","10.5276","0.0005","90","","91.259","0.001","90","","4935.6","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31.5 N0.5 O6 -","- C28 H31.5 N0.5 O6 -","- C224 H252 N4 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0925","0.0476","","","0.1117","0.1322","","","","","","1.023","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226529","18.606","0.002","24.551","0.003","10.4027","0.0013","90","","90.819","0.003","90","","4751.4","1","153","2","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C216 H240 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0696","0.0444","","","0.1005","0.1122","","","","","","1.027","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226538","14.095","0.0005","15.667","0.0005","21.182","0.0008","86.503","0.003","76.211","0.003","69.422","0.003","4251.6","0.3","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","compound 1","","- C95 H74 B2 Cl6 Fe N16 -","- C95 H70 B2 Cl6 Fe N16 -","- C190 H140 B4 Cl12 Fe2 N32 -","2","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71069","MoKα","","0.1551","0.0909","","","0.2557","0.3255","","","","","","1.022","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226539","12.328","0.0006","20.697","0.0008","17.7258","0.001","90","","117.72","0.004","90","","4003.7","0.4","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C32 H23 Br2 F6 Fe N12 O8.5 S2 -","- C32 H18 Br2 F6 Fe N12 O8.5 S2 -","- C128 H72 Br8 F24 Fe4 N48 O34 S8 -","4","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71073","MoKα","","0.1649","0.0885","","","0.2422","0.3225","","","","","","0.952","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226540","18.0922","0.0015","28.182","0.002","16.7188","0.0012","90","","90","","90","","8524.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H20 Cu2 N4 -","- C30 H20 Cu2 N4 -","- C360 H240 Cu24 N48 -","12","3","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.2443","0.1496","","","0.2879","0.3181","","","","","","1.426","","","","has coordinates","188095","2020-10-21","18:00:00",""
"7226541","18.2348","0.0006","18.2348","0.0006","16.395","0.0004","90","","90","","120","","4721.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H24 Cu2 N4 O -","- C30 H20 Cu2 N4 -","- C180 H120 Cu12 N24 -","6","1","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.0458","0.0409","","","0.1097","0.1129","","","","","","1.059","","","","has coordinates,has disorder","188095","2020-10-21","18:00:00",""
"7226550","7.6484","0.0005","16.6146","0.0011","11.9576","0.0007","90","","108.111","0.001","90","","1444.23","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O6 -","- C15 H11 N3 O6 -","- C60 H44 N12 O24 -","4","1","","Mekala, R.; Mani, Rajaboopathi; Rietveld, Ivo B.; Jagdish, P.; Mathammal, R.; Jiang, Huaidong","Crystal growth and physical properties of the organic salt benzimidazolium 3-nitrophthalate","CrystEngComm","2016","18","42","8194","","10.1039/C6CE01712F","","","0.71073","MoKα","","0.047","0.0358","","","0.0846","0.0953","","","","","","1.049","","","","has coordinates","188100","2020-10-21","18:00:00",""
"7226551","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","188086","2020-10-21","18:00:00",""
"7226560","14.19","0.003","8.068","0.0016","22.427","0.005","90","","100.06","0.03","90","","2528.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ebp-terpyridine","ebptpy","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0658","0.0487","","","0.1508","0.1608","","","","","","1.127","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226561","22.883","0.005","8.352","0.0017","14.445","0.003","90","","106.61","0.03","90","","2645.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etp-terpyridine","etptpy","","- C36 H27 N3 O2 -","- C36 H27 N3 O2 -","- C144 H108 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0563","0.0499","","","0.1422","0.148","","","","","","1.063","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226562","6.527","0.0013","7.903","0.0016","18.016","0.004","95.78","0.03","95.32","0.03","94.15","0.03","917.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pfpatpy","pfpatpy","","- C23 H10 F5 N3 -","- C23 H10 F5 N3 -","- C46 H20 F10 N6 -","2","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.63","Synchrotron","","0.0766","0.0662","","","0.183","0.1991","","","","","","1.046","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226563","5.714","0.0011","16.831","0.003","17.555","0.004","90","","92.54","0.03","90","","1686.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bzo-terpyridine","bzotpy","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0514","0.0443","","","0.1262","0.1307","","","","","","1.077","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226564","13.742","0.006","10.981","0.005","23.785","0.01","90","","103.153","0.006","90","","3495","3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C132 H72 Eu4 N12 O30 -","2","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.0605","0.0436","","","0.0908","0.0968","","","","","","1.022","","","","has coordinates","188109","2020-10-21","18:00:00",""
"7226565","13.502","0.004","26.611","0.008","18.609","0.006","90","","90","","90","","6686","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C264 H144 Eu8 N24 O60 -","4","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.1047","0.0491","","","0.1025","0.1208","","","","","","1.006","","","","has coordinates,has disorder","188109","2020-10-21","18:00:00",""
"7226566","12.1013","0.0003","12.1013","0.0003","24.5291","0.0009","90","","90","","90","","3592.08","0.18","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 N6 O7 -","- C36 H34 N6 O7 -","- C144 H136 N24 O28 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.1147","0.0999","","","0.3109","0.3351","","","","","","1.079","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226567","8.1558","0.0002","12.8129","0.0003","22.6191","0.0004","90","","90","","90","","2363.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C96 H120 N24 O24 -","4","1","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","1.54184","CuKα","","0.0399","0.0395","","","0.1051","0.1055","","","","","","1.085","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226568","23.6335","0.0014","4.9941","0.0002","18.5991","0.0012","90","","123.025","0.004","90","","1840.5","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cd Cl2 N6 O4 -","- C34 H30 Cd Cl2 N6 O4 -","- C68 H60 Cd2 Cl4 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0561","0.052","","","0.1504","0.1541","","","","","","1.025","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226569","23.604","0.004","4.9826","0.0008","18.294","0.003","90","","124.204","0.003","90","","1779.4","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cl2 Hg N6 O4 -","- C34 H30 Cl2 Hg N6 O4 -","- C68 H60 Cl4 Hg2 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0486","0.0443","","","0.1062","0.1086","","","","","","1.03","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226570","10.5415","0.0004","23.0604","0.0013","35.42","0.0014","90","","90","","90","","8610.3","0.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C69 H78 Cl6 Hg3 N18 O15 -","- C69 H78 Cl6 Hg3 N18 O15 -","- C276 H312 Cl24 Hg12 N72 O60 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0862","0.0844","","","0.2068","0.2076","","","","","","1.005","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226571","10.229","0.003","10.526","0.004","12.346","0.004","66.68","0.01","78.973","0.011","67.688","0.01","1128","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0797","0.0495","","","0.1091","0.1227","","","","","","1.03","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226572","9.8216","0.0003","11.6073","0.0004","12.2477","0.0004","105.726","0.002","111.775","0.001","105.364","0.002","1139","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F4 N4 O -","- C26 H22 F4 N4 O -","- C52 H44 F8 N8 O2 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0412","0.037","","","0.0917","0.0942","","","","","","1.037","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226585","10.464","0.0004","12.0162","0.0005","13.1846","0.0005","83.78","0.003","86.014","0.003","75.659","0.004","1595.12","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Eu N4 O12 -","- C28 H35 Eu N4 O12 -","- C56 H70 Eu2 N8 O24 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","0.71073","MoKα","","0.035","0.0305","","","0.0672","0.0697","","","","","","1.036","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226586","10.4702","0.0004","12.0131","0.0005","13.1765","0.0006","83.827","0.004","85.92","0.004","75.686","0.004","1594.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Eu N2 O10 -","- C22 H20 Eu N2 O10 -","- C44 H40 Eu2 N4 O20 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","1.54184","CuKα","","0.0292","0.0278","","","0.0725","0.0731","","","","","","1.044","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226587","8.3723","0.0005","10.0412","0.0005","15.094","0.0008","90","","90","","90","","1268.92","0.12","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 Br I3 N Pb -","- C5 H5 Br I3 N Pb -","- C20 H20 Br4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.054","0.053","","","0.1298","0.1312","","","","","","1.1","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226588","23.01","0.002","9.6665","0.0007","11.1481","0.0012","90","","107.617","0.008","90","","2363.3","0.4","180.15","","180.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.25","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0245","0.0232","","","0.0559","0.0564","","","","","","1.124","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226589","12.1436","0.0014","8.7824","0.0006","9.4776","0.0011","90","","99.676","0.009","90","","996.41","0.18","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 I4 N2 Pb -","- C10 H10 Br2 I4 N2 Pb -","- C20 H20 Br4 I8 N4 Pb2 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0782","0.0683","","","0.1872","0.2024","","","","","","1.051","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226590","12.0812","0.0011","22.6","0.002","8.8122","0.0008","90","","102.175","0.007","90","","2351.9","0.4","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.136","0.08","","","0.1879","0.214","","","","","","0.978","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226591","11.0224","0.0007","14.7278","0.0007","8.0001","0.0005","90","","100.14","0.005","90","","1278.42","0.13","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C20 H20 Cl4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0309","0.0277","","","0.07","0.0717","","","","","","1.07","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226592","20.9773","0.001","8.314","0.0003","14.4916","0.0008","90","","90","","90","","2527.4","0.2","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C40 H40 Cl8 I24 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0409","0.026","","","0.0452","0.0474","","","","","","0.871","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226593","8.6645","0.0004","22.3952","0.001","12.1729","0.0005","90","","103.179","0.003","90","","2299.86","0.18","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl4 I10 N4 Pb3 -","- C20 H20 Cl4 I10 N4 Pb3 -","- C40 H40 Cl8 I20 N8 Pb6 -","2","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0953","0.0872","","","0.215","0.2238","","","","","","1.048","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226594","14.9503","0.001","8.0231","0.0006","21.786","0.002","90","","90","","90","","2613.2","0.4","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C48 H64 I24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0281","0.0187","","","0.0348","0.0365","","","","","","0.929","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226595","7.9441","0.0006","10.5453","0.0003","15.663","0.0006","90","","90","","90","","1312.14","0.12","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C24 H32 I12 N4 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0613","0.0635","","","","","","0.975","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226596","9.1279","0.0006","8.0558","0.0004","15.7073","0.0011","90","","103.014","0.006","90","","1125.33","0.12","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0435","0.0383","","","0.0927","0.0948","","","","","","0.994","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226597","8.2011","0.0005","24.015","0.002","9.0459","0.0005","90","","90","","90","","1781.6","0.2","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Br6 N2 Pb -","- C10 H10 Br6 N2 Pb -","- C40 H40 Br24 N8 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.1123","0.0805","","","0.1887","0.204","","","","","","0.955","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226598","20.1312","0.0007","8.0508","0.0003","13.6068","0.0007","90","","90","","90","","2205.28","0.16","180.15","","180.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C40 H40 Br32 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0315","0.0273","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226599","19.8954","0.0018","8.0101","0.0006","13.5899","0.0012","90","","90","","90","","2165.7","0.3","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C40 H40 Br24 Cl8 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0461","0.031","","","0.0651","0.069","","","","","","0.936","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226600","9.2804","0.0007","8.029","0.0004","15.4764","0.0012","90","","103.89","0.006","90","","1119.46","0.14","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C24 H32 Br12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0397","0.024","","","0.0441","0.0466","","","","","","0.877","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226601","13.842","0.003","7.74","0.0015","21.22","0.004","90","","90","","90","","2273.4","0.8","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C48 H64 Br24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0322","0.022","","","0.0454","0.0477","","","","","","0.934","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226608","22.268","","8.67","","7.99","","90","","95.1","","90","","1536.47","","120","","120","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Acetone","Acetone","- C3 O -","- C3 O -","- C48 O16 -","16","4","","Ferrer, P.; da Silva, I.; Puente-Orench, I.","Solid acetone structure dependence on pressure: a new fibre textured thin film crystallographic structure studied by grazing-incidence X-ray diffraction","CrystEngComm","2016","18","42","8220","","10.1039/C6CE01333C","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188107","2020-10-21","18:00:00",""
"7226609","21.8891","0.0018","9.107","0.0008","32.038","0.003","90","","124.121","0.002","90","","5287.2","0.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 N2 O8 Tb -","- C42 H26 N2 O8 Tb -","- C168 H104 N8 O32 Tb4 -","4","1","","Yao, Qingxia; Fan, Yerong; Wang, Zhan; Duan, Wenzeng; Wang, Suna; Li, Yunwu; Li, Dacheng; Zhang, Qingfu; Du, Yuchang; Dou, Jianmin","Coexistence of self- and interpenetration in two (3,6)-connected porous coordination polymers","CrystEngComm","2016","18","44","8574","","10.1039/C6CE01705C","","","0.71073","MoKα","","0.1024","0.0548","","","0.0992","0.1051","","","","","","1.01","","","","has coordinates,has disorder","190090","2020-10-21","18:00:00",""
"7226626","18.4148","0.0009","29.5574","0.0015","16.3155","0.0008","90","","119.269","0.001","90","","7746.7","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 N2 Na6 O51 -","- C104 H66 Cd6 N2 Na6 O51 -","- C208 H132 Cd12 N4 Na12 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0552","0.0406","","","0.1128","0.1234","","","","","","1.025","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226627","18.9895","0.0013","28.481","0.002","16.9587","0.0018","90","","119.896","0.002","90","","7951.4","1.2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H48 Cd6 K2 Na4 O51 -","- C96 H48 Cd6 K2 Na4 O51 -","- C192 H96 Cd12 K4 Na8 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1456","0.1707","","","","","","1.048","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226628","19.2145","0.0017","26.4088","0.0017","17.7174","0.0012","90","","118.431","0.002","90","","7906.1","1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H49 Cd3 K3 N4 O29 -","- C63 H49 Cd3 K3 N4 O29 -","- C252 H196 Cd12 K12 N16 O116 -","4","0.5","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0979","0.0697","","","0.1629","0.1934","","","","","","1.072","","","","has coordinates,has disorder","188102","2020-10-21","18:00:00",""
"7226629","18.5166","0.0007","29.4652","0.0008","16.385","0.0004","90","","119.388","0.003","90","","7789.2","0.5","294.39","","294.39","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 Mg6 N2 O57 -","- C104 H66 Cd6 Mg6 N2 O57 -","- C208 H132 Cd12 Mg12 N4 O114 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","1.54178","CuKα","","0.0836","0.0624","","","0.1628","0.1829","","","","","","1.031","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226630","19.999","0.0011","18.6284","0.0011","35.123","0.002","90","","90","","90","","13085.1","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H67 Ca2 Cd4 N5 O35 -","- C76 H67 Ca2 Cd4 N5 O35 -","- C304 H268 Ca8 Cd16 N20 O140 -","4","1","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.083","0.0736","","","0.1774","0.1819","","","","","","1.05","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226631","20.8809","0.001","10.6287","0.0004","16.6021","0.0007","90","","115.3","0.005","90","","3331.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd N4 O5 -","- C14 H18 Cd N4 O5 -","- C112 H144 Cd8 N32 O40 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0375","0.0289","","","0.0626","0.0675","","","","","","1.006","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226632","7.5703","0.0005","7.9467","0.0005","10.1633","0.0007","76.859","0.006","81.936","0.006","68.543","0.006","553.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 Cd N3 O6 -","- C7 H11 Cd N3 O6 -","- C14 H22 Cd2 N6 O12 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0256","0.0228","","","0.0546","0.0561","","","","","","1.064","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226633","9.3607","0.0004","8.3293","0.0004","15.9905","0.001","90","","113.611","0.004","90","","1142.38","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H13 Cd N2 O4 -","- C10 H13 Cd N2 O4 -","- C40 H52 Cd4 N8 O16 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0453","0.0316","","","0.0796","0.0931","","","","","","1.042","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226634","5.1689","0.0004","8.3362","0.0007","9.9402","0.0008","102.695","0.007","95.013","0.007","93.047","0.007","415.09","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","1","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0305","0.03","","","0.0697","0.0702","","","","","","1.059","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226635","17.6907","0.0005","16.1672","0.0004","16.8283","0.0004","90","","90","","90","","4813","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Cd N4 O7 -","- C18 H34 Cd N4 O7 -","- C144 H272 Cd8 N32 O56 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0786","0.0631","","","0.2166","0.2317","","","","","","1.019","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226636","8.8482","0.0005","10.5491","0.0005","12.8133","0.0006","86.422","0.004","73.769","0.004","83.139","0.004","1139.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd2 N6 O8 -","- C19 H21 Cd2 N6 O8 -","- C38 H42 Cd4 N12 O16 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0349","0.0271","","","0.0566","0.0615","","","","","","1.015","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226637","28.3889","0.0016","7.3715","0.0005","9.0819","0.0005","90","","92.276","0.005","90","","1899.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Cd N2 O4 -","- C8 H9 Cd N2 O4 -","- C64 H72 Cd8 N16 O32 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0255","0.0232","","","0.0603","0.0622","","","","","","1.025","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226638","8.3519","0.0003","10.8757","0.0008","18.006","0.001","106.753","0.006","91.98","0.004","94.345","0.004","1558.89","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 Cd N6 O9 -","- C24 H45 Cd N6 O9 -","- C48 H90 Cd2 N12 O18 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0867","0.0663","","","0.1677","0.1858","","","","","","1.054","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226639","12.403","0.004","19.548","0.007","18.963","0.007","90","","103.787","0.006","90","","4465","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Dy4 N10 O34 -","- C74 H84 Co2 Dy4 N10 O34 -","- C148 H168 Co4 Dy8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0562","0.0324","","","0.0763","0.085","","","","","","1.018","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226640","12.4424","0.0019","19.73","0.003","19.024","0.003","90","","104.094","0.002","90","","4529.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Eu4 N10 O34 -","- C74 H84 Co2 Eu4 N10 O34 -","- C148 H168 Co4 Eu8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0702","0.0385","","","0.0918","0.1059","","","","","","1.049","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226641","12.443","0.003","19.742","0.004","19.009","0.004","90","","104.077","0.003","90","","4529.3","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Gd4 N10 O34 -","- C74 H84 Co2 Gd4 N10 O34 -","- C148 H168 Co4 Gd8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.069","0.046","","","0.1184","0.132","","","","","","0.995","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226642","12.371","0.002","19.544","0.003","18.941","0.003","90","","103.988","0.003","90","","4443.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 N10 O34 Tb4 -","- C74 H84 Co2 N10 O34 Tb4 -","- C148 H168 Co4 N20 O68 Tb8 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0923","0.047","","","0.0907","0.1059","","","","","","1.019","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226643","11.717","0.006","17.333","0.009","8.824","0.005","90","","106.29","0.006","90","","1720.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N8 O6 -","- C34 H36 N8 O6 -","- C68 H72 N16 O12 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.2952","Synchrotron","","0.0809","0.0678","","","0.2034","0.2189","","","","","","1.113","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226644","13.022","0.002","17.377","0.003","8.6788","0.0015","90","","102.255","0.004","90","","1919.1","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N6 O10 S2 -","- C34 H42 N6 O10 S2 -","- C68 H84 N12 O20 S4 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1987","0.1145","","","0.2724","0.363","","","","","","1.003","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226645","29.138","0.011","8.033","0.002","21.635","0.008","90","","118.774","0.007","90","","4439","3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N8 O10 -","- C42 H48 N8 O10 -","- C168 H192 N32 O40 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2229","0.089","","","0.1798","0.2361","","","","","","0.977","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226646","29.227","0.011","7.997","0.003","21.68","0.008","90","","119.615","0.007","90","","4405","3","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H48 N8 O11 -","- C41 H45 N8 O11 -","- C164 H180 N32 O44 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1474","0.0967","","","0.238","0.2725","","","","","","1.063","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226647","29.25","0.012","7.997","0.003","21.648","0.009","90","","120.242","0.009","90","","4375","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N8 O12 -","- C40 H40 N8 O12 -","- C160 H160 N32 O48 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2658","0.1178","","","0.2771","0.3762","","","","","","0.988","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226648","29.177","0.01","7.999","0.002","21.586","0.007","90","","119.075","0.007","90","","4403","2","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.56 H48 N8 O10.44 -","- C41.564 H46.692 N8 O10.436 -","- C166.256 H186.768 N32 O41.744 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2146","0.1105","","","0.2591","0.3272","","","","","","1.083","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226649","19.3577","0.0013","19.3577","0.0013","11.0242","0.0015","90","","90","","90","","4131","0.7","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C28 H20 Cu8 I4 N4 O20 -","- C28 H12 Cu8 I4 N4 O20 -","- C56 H24 Cu16 I8 N8 O40 -","2","0.125","","Wang, Guoming; Xue, Zhenzhen; Pan, Jie; Wei, Li; Han, Songde; Qian, Jinjie; Wang, Zonghua","Ligand-oriented assembly of a porous metal‒organic framework by [CuI4I4] clusters and paddle-wheel [CuII2(COO)4(H2O)2] subunits","CrystEngComm","2016","18","43","8362","","10.1039/C6CE01954D","","","0.71073","MoKα","","0.0791","0.07","","","0.1972","0.2075","","","","","","1.012","","","","has coordinates","188087","2020-10-21","18:00:00",""
"7226658","12.572","0.003","16.149","0.004","19.077","0.005","90","","100.52","0.005","90","","3808","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 O6.5 Pb S2 -","- C35 H31 N7 O6.5 Pb S2 -","- C140 H124 N28 O26 Pb4 S8 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.1513","0.0551","","","0.1082","0.1477","","","","","","1.022","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226659","14.5188","0.0004","7.6162","0.0002","27.7076","0.0007","90","","102.505","0.002","90","","2991.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N7 O7 S2 Sn -","- C25 H29 N7 O7 S2 Sn -","- C100 H116 N28 O28 S8 Sn4 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0603","0.0415","","","0.0735","0.078","","","","","","1.102","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226660","10.0349","0.0003","15.1394","0.0005","26.2883","0.0009","90","","97.571","0.002","90","","3959","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 N9 O6 S2 Sn -","- C39 H37 N9 O6 S2 Sn -","- C156 H148 N36 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.021","0.019","","","0.0455","0.0464","","","","","","1.045","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226661","14.6879","0.0003","18.3871","0.0004","12.6439","0.0003","90","","90","","90","","3414.71","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H31 N7 O6 S2 Sn -","- C35 H31 N7 O6 S2 Sn -","- C140 H124 N28 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0309","0.0248","","","0.0566","0.0586","","","","","","1.052","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226662","10.3584","0.001","10.854","0.001","10.4469","0.001","90","","108.403","0.002","90","","1114.48","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 1)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C40 H52 F4 N8 O20 -","4","2","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0433","0.0418","","","0.1038","0.1049","","","","","","1.041","","","","has coordinates,has disorder","188106","2020-10-21","18:00:00",""
"7226663","8.9716","0.0009","5.3099","0.0005","11.8624","0.0011","90","","105.98","0.002","90","","543.27","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 2)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C20 H26 F2 N4 O10 -","2","1","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0295","0.0293","","","0.0767","0.0769","","","","","","1.053","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226664","10.4391","0.0013","16.017","0.002","13.8687","0.0018","90","","101.604","0.002","90","","2271.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 3)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","4","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0419","0.0355","","","0.0831","0.0862","","","","","","1.031","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226673","10.1347","0.0004","10.8799","0.0005","12.0819","0.0005","90","","101.789","0.002","90","","1304.1","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O5 -","- C15 H14 N O5 -","- C60 H56 N4 O20 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0899","0.0527","","","0.1347","0.1603","","","","","","0.804","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226674","11.6691","0.0009","6.8681","0.0005","14.3968","0.0009","90","","95.62","0.005","90","","1148.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1009","0.0524","","","0.1293","0.1665","","","","","","0.79","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226675","15.589","0.0013","5.2685","0.0004","12.4962","0.001","90","","90","","90","","1026.32","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.2077","0.0422","","","0.1343","0.1713","","","","","","1.114","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226676","9.4702","0.0002","15.5487","0.0003","18.2269","0.0004","90","","102.059","0.0013","90","","2624.67","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N2 O6 -","- C58 H80 N2 O6 -","- C116 H160 N4 O12 -","2","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0569","0.0435","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226677","10.977","0.003","12.112","0.004","16.439","0.005","90","","90","","90","","2185.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0586","0.0418","","","0.1127","0.1294","","","","","","0.868","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226678","10.5317","0.0011","8.5508","0.0008","21.75","0.002","90","","91.055","0.007","90","","1958.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O4 S2 -","- C19 H17 N5 O4 S2 -","- C76 H68 N20 O16 S8 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1539","0.0548","","","0.1443","0.1908","","","","","","0.75","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226679","12.3648","0.0003","7.733","0.0002","19.4502","0.0004","90","","114.44","0.001","90","","1693.13","0.07","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0469","0.0409","","","0.1013","0.1069","","","","","","1.046","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226680","7.7154","0.0002","9.5901","0.0003","22.5595","0.0006","90","","90","","90","","1669.21","0.08","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0421","0.037","","","0.0959","0.0999","","","","","","1.035","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226681","7.723","0.0002","9.6004","0.0003","22.5562","0.0007","90","","90","","90","","1672.4","0.09","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0391","0.0346","","","0.0996","0.1053","","","","","","0.98","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226684","51.107","0.013","9.448","0.003","18.492","0.005","90","","102.189","0.007","90","","8728","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","UBMOF-3","","- C101 H61.01 N7 O27 Zn6 -","- C101 H61 N7 O27 Zn6 -","- C202 H122 N14 O54 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1527","0.1054","","","0.2852","0.3082","","","","","","1.039","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226685","39.751","0.004","9.7399","0.0011","18.388","0.002","90","","91.374","0.004","90","","7117.2","1.3","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H48 N4 O24 S4 Zn6 -","- C112 H48 N4 O24 S4 Zn6 -","- C224 H96 N8 O48 S8 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1081","0.079","","","0.2163","0.2305","","","","","","1.087","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226686","10.3907","0.0002","11.7359","0.0003","14.0932","0.0003","68.809","0.005","86.046","0.006","86.623","0.006","1597.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0401","0.0347","","","0.0875","0.092","","","","","","1.091","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226687","11.3672","0.0002","8.53265","0.00015","45.911","0.003","90","","90","","90","","4453","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H40 N2 O8 S17 -","- C31 H40 N2 O8 S17 -","- C124 H160 N8 O32 S68 -","4","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0391","0.0342","","","0.0765","0.0784","","","","","","1.093","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226695","15.63","0.0011","12.6171","0.0007","5.4481","0.0004","90","","92.926","0.007","90","","1072.99","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 Ca O5 -","- C8 H4 Br2 Ca O5 -","- C32 H16 Br8 Ca4 O20 -","4","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0446","0.0365","","","0.0819","0.0896","","","","","","1.096","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226696","11.0693","0.0005","12.9647","0.0003","13.6267","0.0004","90","","90","","90","","1955.57","0.11","293","2","293","2","","","","","","","","6","P n n n","-P 2ab 2bc","48","","","","- C40 H30 Br4 Ca N4 O8 -","- C40 H30 Br4 Ca N4 O8 -","- C80 H60 Br8 Ca2 N8 O16 -","2","","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0476","0.0347","","","0.0796","0.0864","","","","","","1.035","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226697","10.0545","0.0006","11.5943","0.0006","12.401","0.0007","74.417","0.005","84.716","0.005","83.3","0.005","1380.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","1","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0464","0.0342","","","0.0732","0.0791","","","","","","1.044","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226698","7.7834","0.0004","10.1301","0.0005","10.3277","0.0008","103.873","0.005","91.797","0.005","90.935","0.004","789.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 Ca N O6 -","- C13 H10 Br2 Ca N O6 -","- C26 H20 Br4 Ca2 N2 O12 -","2","1","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0479","0.0354","","","0.0679","0.0736","","","","","","1.043","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226714","14.5618","0.0003","16.5325","0.0004","31.0145","0.0007","90","","100.296","0.0009","90","","7346.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 F6 O4 S2 -","- C41 H34 F6 O4 S2 -","- C328 H272 F48 O32 S16 -","8","2","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.049","0.0464","","","0.1175","0.1197","","","","","","1.067","","","","has coordinates,has disorder","186974","2020-10-21","18:00:00",""
"7226715","15.0294","0.0002","15.1977","0.0002","10.6992","0.0001","90","","107.778","0.0005","90","","2327.13","0.05","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 F6 O4 S2 -","- C25 H18 F6 O4 S2 -","- C100 H72 F24 O16 S8 -","4","0.5","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.0372","0.0371","","","0.0964","0.0965","","","","","","1.035","","","","has coordinates","186974","2020-10-21","18:00:00",""
"7226728","16.6796","0.0002","16.6796","0.0002","11.9659","0.0002","90","","90","","90","","3329.02","0.08","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C60 H84 N4 O12 S8 -","- C60 H80 N4 O12 S8 -","- C120 H160 N8 O24 S16 -","2","0.25","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0743","0.0523","","","0.1536","0.1763","","","","","","1.052","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226729","12.7393","0.0003","15.3611","0.0003","17.4026","0.0004","64.301","0.001","82.054","0.001","80.592","0.001","3018.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 O8 S8 -","- C56 H72 O8 S8 -","- C112 H144 O16 S16 -","2","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1074","0.0573","","","0.13","0.1552","","","","","","1.03","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226730","15.1566","0.0009","13.6474","0.0007","28.4065","0.0019","90","","92.503","0.002","90","","5870.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H73 Cl3 O12 S4 -","- C57 H73 Cl3 O12 S4 -","- C228 H292 Cl12 O48 S16 -","4","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1787","0.0943","","","0.2132","0.2653","","","","","","1.043","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226731","12.2472","0.0003","15.6106","0.0004","20.633","0.0006","92.39","0.002","96.895","0.001","96.801","0.001","3882.4","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H150 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","1","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0854","0.0616","","","0.1956","0.2153","","","","","","1.105","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226732","41.2998","0.0017","16.5977","0.0007","29.4977","0.0011","90","","125.525","0.001","90","","16456.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H196 N16 O21 S16 -","- C138 H196 N16 O21 S16 -","- C552 H784 N64 O84 S64 -","4","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2029","0.1084","","","0.2986","0.3609","","","","","","1.045","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226733","40.449","0.01","10.2346","0.0017","33.844","0.008","90","","90","","90","","14011","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H76 N8 O12 S4 -","- C76 H76 N8 O12 S4 -","- C608 H608 N64 O96 S32 -","8","2","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2248","0.0887","","","0.1599","0.1925","","","","","","1.026","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226734","11.0804","0.0005","22.8508","0.001","19.1244","0.0006","90","","105.727","0.001","90","","4660.9","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H112 N8 O10 S8 -","- C92 H104 N8 O10 S8 -","- C184 H208 N16 O20 S16 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2288","0.1264","","","0.2812","0.3383","","","","","","1.019","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226735","33.2961","0.001","11.7323","0.0003","20.7114","0.0005","90","","114.114","0.001","90","","7384.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C133 H186 N8 O18 S16 -","- C133 H184 N8 O18 S16 -","- C266 H368 N16 O36 S32 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0951","0.066","","","0.1821","0.2051","","","","","","1.021","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226738","5.6838","0.0009","11.4266","0.0019","13.585","0.002","90","","95.904","0.004","90","","877.6","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cu3 O16 S2 -","- C6 H20 Cu3 O16 S2 -","- C12 H40 Cu6 O32 S4 -","2","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0667","0.0574","","","0.1457","0.1598","","","","","","1.188","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226739","5.608","0.0004","8.6585","0.0007","17.5909","0.0019","88.075","0.005","89.276","0.005","77.558","0.005","833.62","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0351","0.0315","","","0.0784","0.0811","","","","","","1.044","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226740","5.7415","0.0004","8.794","0.0006","27.737","0.002","83.89","0.004","89.704","0.005","80.177","0.004","1371.97","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cu3 O16 S2 -","- C18 H30 Cu3 O16 S2 -","- C36 H60 Cu6 O32 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0498","0.0367","","","0.089","0.0936","","","","","","0.912","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226741","5.766","0.002","8.639","0.004","15.848","0.007","101.4","0.007","99.046","0.009","100.39","0.011","745.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0466","0.0402","","","0.1254","0.1434","","","","","","1.145","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226742","17.2932","0.0013","5.7712","0.0002","31.2089","0.0019","90","","93.088","0.004","90","","3110.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu3 O17 S2 -","- C24 H30 Cu3 O17 S2 -","- C96 H120 Cu12 O68 S8 -","4","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0756","0.0489","","","0.1018","0.1166","","","","","","1.052","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226743","5.6096","0.0002","8.9824","0.0006","12.1172","0.0009","86.288","0.006","77.183","0.006","77.676","0.006","581.53","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0333","0.0298","","","0.0752","0.0774","","","","","","1.101","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226744","9.2709","0.0007","10.6339","0.0017","11.848","0.002","82.673","0.016","70.523","0.014","69.251","0.012","1029.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu3 O14 S2 -","- C14 H18 Cu3 O14 S2 -","- C28 H36 Cu6 O28 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0388","0.031","","","0.0782","0.0864","","","","","","0.983","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226745","14.2783","0.0002","9.93551","0.00015","14.7043","0.0003","90","","99.5877","0.0017","90","","2056.85","0.06","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP/B18C6 cocrystal","","- C16 H28 Cl N O10 -","- C16 H28 Cl N O10 -","- C64 H112 Cl4 N4 O40 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0774","0.0706","","","0.2059","0.2167","","","","","","1.055","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226746","12.6348","0.0002","12.918","0.0002","20.7752","0.0003","90","","107.36","0.0017","90","","3236.39","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AP/DB18C6 cocrystal","","- C30 H40 Cl N O13 -","- C30 H40 Cl N O13 -","- C120 H160 Cl4 N4 O52 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0894","0.0823","","","0.248","0.26","","","","","","1.049","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226747","21.9447","0.0009","8.6823","0.0003","22.5551","0.0011","90","","118.257","0.006","90","","3785.3","0.3","176.41","0.1","176.41","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AP/18C6","cocrystal","","- C12 H28 Cl N O10 -","- C12 H28 Cl N O10 -","- C96 H224 Cl8 N8 O80 -","8","2","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0672","0.0585","","","0.1616","0.1727","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7226748","18.0441","0.0008","18.0441","0.0008","8.3135","0.0007","90","","90","","90","","2706.8","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H20 Dy N8 Na O8 -","- C24 H20 Dy N8 Na O8 -","- C96 H80 Dy4 N32 Na4 O32 -","4","","","Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour","CrystEngComm","2016","18","45","8718","","10.1039/C6CE01810F","","","0.71069","MoKα","","0.0719","0.0459","","","0.1205","0.1508","","","","","","1.231","","","","has coordinates","190083","2020-10-21","18:00:00",""
"7226761","10.2321","0.0004","11.9576","0.0005","12.27","0.0005","91.001","0.001","99.561","0.001","100.188","0.001","1455.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0557","0.0405","","","0.0942","0.1017","","","","","","1.038","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226762","8.6636","0.0004","11.9452","0.0006","14.3305","0.0007","100.527","0.002","90.917","0.002","95.64","0.002","1450.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0883","0.0628","","","0.139","0.1495","","","","","","1.106","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226763","7.6956","0.0002","12.3234","0.0004","15.6647","0.0005","82.079","0.001","86.38","0.001","84.459","0.001","1462.66","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0609","0.0457","","","0.1047","0.1122","","","","","","1.053","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226764","11.7568","0.0009","15.0687","0.001","11.1422","0.0007","90","","90","","90","","1973.9","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C88 H72 Fe4 N8 O20 Zn4 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","1.54184","CuKα","","0.031","0.0277","","","0.0785","0.081","","","","","","1.061","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226765","12.016","0.002","14.441","0.002","11.1347","0.0015","90","","90","","90","","1932.1","0.5","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C88 H72 Cu4 Fe4 N8 O20 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","0.71073","MoKα","","0.0666","0.0467","","","0.1227","0.1416","","","","","","1.073","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226766","10.7602","0.0007","10.3933","0.0006","21.0922","0.0011","90","","113.25","0.003","90","","2167.3","0.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H12.5 Eu N2.5 O13.5 Zn -","- C18 H11.5 Eu N2.5 O13.5 Zn -","- C72 H46 Eu4 N10 O54 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0236","0.0207","","","0.0499","0.0515","","","","","","1.006","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226767","12.4323","0.0017","12.9418","0.0018","15.241","0.002","90","","95.588","0.002","90","","2440.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0305","0.0272","","","0.0663","0.068","","","","","","1.071","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226768","12.4296","0.0012","12.9364","0.0012","15.1888","0.0014","90","","95.66","0.001","90","","2430.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H12 N3 O15 Tb Zn -","- C88 H48 N12 O60 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.026","0.0228","","","0.0555","0.0571","","","","","","1.084","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226769","16.8984","0.0011","24.3162","0.0016","22.832","0.0015","90","","99.333","0.001","90","","9257.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C256 H124 Eu8 N36 O152 Zn16 -","8","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0536","0.0413","","","0.1279","0.1376","","","","","","1.027","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226770","10.4803","0.0011","17.8855","0.0019","17.8364","0.0018","90","","105.744","0.001","90","","3217.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0509","0.0366","","","0.1112","0.1195","","","","","","1.061","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226771","11.589","0.003","17.792","0.005","16.441","0.005","90","","109.73","0.004","90","","3191","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H10 N3 O16 Tb Zn -","- C88 H40 N12 O64 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.1304","0.081","","","0.2199","0.27","","","","","","1.065","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226788","7.8028","0.0006","17.6121","0.0012","18.6177","0.0012","90","","90","","90","","2558.5","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N3 O4 S -","- C28 H37 N3 O4 S -","- C112 H148 N12 O16 S4 -","4","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0399","0.0352","","","0.0837","0.086","","","","","","1.035","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226789","7.3761","0.0005","17.7987","0.0015","9.5359","0.0009","90","","98.633","0.006","90","","1237.74","0.18","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 S -","- C25 H37 N3 O5 S -","- C50 H74 N6 O10 S2 -","2","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0644","0.0462","","","0.114","0.1345","","","","","","0.825","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226831","7.161","0.0002","7.161","0.0002","8.0474","0.0004","90","","90","","120","","357.38","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0604","0.0499","","","0.1216","0.1369","","","","","","1.239","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226832","7.1208","0.0006","7.1208","0.0006","8.0513","0.0004","90","","90","","120","","353.55","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0682","0.0496","","","0.1086","0.1276","","","","","","1.1","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226833","6.306","0.013","8.0599","0.0014","7.25","0.013","90","","115.6","0.2","90","","332.3","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.41168","synchrotron","","0.1801","0.1111","","","0.1271","0.1417","","","","2.97","2.97","2.19","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226834","7.2864","0.00016","7.2864","0.00016","8.05248","0.00018","90","","90","","120","","370.243","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0257","0.021","","","0.0448","0.0455","","","","","","1.169","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226835","7.26097","0.00016","7.26097","0.00016","8.0811","0.0002","90","","90","","120","","368.969","0.015","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7 N Ni O6 -","- C6 H14 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0188","0.0179","","","0.0473","0.0477","","","","","","1.176","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226836","6.668","0.006","8.298","0.004","7.393","0.006","90","","116.64","0.11","90","","365.6","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium iron formate","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.2903","synchrotron","","0.1914","0.1431","","","0.1562","0.1657","","","","3.31","3.31","2.44","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226837","3.8271","0.0003","19.192","0.002","10.816","0.002","90","","91.771","0.011","90","","794.05","0.18","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1198","0.0502","","","0.099","0.1181","","","","","","1.006","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226838","3.84","0.002","19.183","0.016","10.87","0.018","90","","91.94","0.08","90","","800.3","1.5","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2555","0.1334","","","0.3255","0.3985","","","","","","1.144","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226839","3.7896","0.0004","19.207","0.002","10.703","0.003","90","","91.51","0.011","90","","778.8","0.2","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1633","0.0908","","","0.2382","0.2958","","","","","","1.043","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226840","3.7768","0.0005","19.151","0.003","10.824","0.004","90","","91.839","0.017","90","","782.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2136","0.1106","","","0.3012","0.3677","","","","","","1.115","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226841","3.7692","0.0006","19.123","0.003","10.849","0.004","90","","91.978","0.018","90","","781.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C8.991 H5.994 F1.998 O1.998 -","- C35.964 H23.976 F7.992 O7.992 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2793","0.1424","","","0.3454","0.4247","","","","","","1.226","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226842","3.7692","0.0008","19.124","0.004","10.887","0.006","90","","91.98","0.03","90","","784.3","0.5","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2691","0.1352","","","0.3264","0.4037","","","","","","1.157","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226843","3.6777","0.0015","19.13","0.01","10.443","0.011","90","","90.52","0.05","90","","734.7","0.9","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.0835","0.0474","","","0.0995","0.1141","","","","","","1.023","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226844","3.6652","0.0005","19.07","0.003","10.517","0.003","90","","90.798","0.016","90","","735","0.3","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1287","0.0686","","","0.1758","0.2297","","","","","","1.062","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226845","3.6528","0.0011","19.053","0.006","10.581","0.006","90","","90.9","0.03","90","","736.3","0.5","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1622","0.0785","","","0.2033","0.2632","","","","","","1.049","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226846","3.642","0.0007","19.023","0.004","10.626","0.005","90","","91.14","0.02","90","","736","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1778","0.097","","","0.2552","0.3109","","","","","","1.056","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226847","3.639","0.0007","19.002","0.004","10.645","0.005","90","","91.14","0.02","90","","735.9","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2146","0.1094","","","0.2902","0.3538","","","","","","1.072","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226848","3.6358","0.0017","18.973","0.011","10.701","0.013","90","","91.72","0.06","90","","737.8","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2524","0.1204","","","0.306","0.3922","","","","","","1.085","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226849","3.6223","0.0014","18.978","0.009","10.755","0.014","90","","91.34","0.06","90","","739.1","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2846","0.1191","","","0.2824","0.392","","","","","","1.029","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226861","7.6855","0.0015","7.8344","0.0016","8.1579","0.0016","91.15","0.03","104.78","0.03","116.81","0.03","418.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H14 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","1","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0368","0.0323","","","0.0788","0.0814","","","","","","1.041","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226862","9.2294","0.0003","11.4544","0.0003","18.2305","0.0006","80.471","0.003","77.234","0.003","87.169","0.003","1853.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0371","0.0349","","","0.0904","0.0927","","","","","","0.94","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226863","9.3269","0.0006","11.5055","0.0009","18.7159","0.0012","79.29","0.006","77.048","0.006","86.951","0.006","1923.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Hg N4 O -","- C18 H14 Br2 Hg N4 O -","- C72 H56 Br8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0739","0.0705","","","0.1801","0.1871","","","","","","1.053","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226864","19.9763","0.0002","11.8392","0.0001","17.7194","0.0002","90","","103.328","0.001","90","","4077.83","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Hg I2 N4 O -","- C18 H14 Hg I2 N4 O -","- C144 H112 Hg8 I16 N32 O8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0322","0.029","","","0.0708","0.0728","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226865","7.3839","0.0007","12.574","0.0011","15.6783","0.0013","90","","91.892","0.005","90","","1454.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 O -","- C12 H10 Br2 Hg N4 O -","- C48 H40 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.04","0.03","","","0.0575","0.06","","","","","","1.039","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226866","8.8275","0.0002","9.8653","0.0002","10.7261","0.0003","92.093","0.002","91.266","0.002","114.712","0.001","847.26","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br2 Hg N4 O2 -","- C13 H14 Br2 Hg N4 O2 -","- C26 H28 Br4 Hg2 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71069","MoKα","","0.0679","0.0398","","","0.0963","0.1246","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226867","7.9297","0.0016","13.566","0.003","14.212","0.003","90","","90.29","0.03","90","","1528.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Hg N4 O -","- C13 H12 Cl2 Hg N4 O -","- C52 H48 Cl8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0478","0.0266","","","0.054","0.0591","","","","","","1.03","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226868","8.1943","0.0002","13.4627","0.0002","14.4493","0.0003","90","","90.865","0.002","90","","1593.83","0.06","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br2 Hg N4 O -","- C13 H12 Br2 Hg N4 O -","- C52 H48 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0586","0.0368","","","0.0638","0.0728","","","","","","1.036","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226869","10.6087","0.0004","14.778","0.0007","15.9432","0.0008","98.559","0.004","106.58","0.004","104.976","0.004","2246.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","1","0.5","","Jiao, Chengli; Jiang, Xia; Chu, Hailiang; Jiang, Heqing; Sun, Lixian","A mixed-valent CuI/CuII metal‒organic framework with selective chemical sensing properties","CrystEngComm","2016","18","44","8683","","10.1039/C6CE01827K","","","1.54184","CuKα","","0.067","0.0566","","","0.1507","0.1626","","","","","","1.039","","","","has coordinates","190089","2020-10-21","18:00:00",""
"7226881","30.656","0.003","27.727","0.005","3.7908","0.0004","90","","90","","90","","3222.2","0.7","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C144 H112 N48 O32 -","16","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0566","0.0499","","","0.1221","0.1282","","","","","","1.074","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226882","7.9507","0.0004","11.7608","0.0005","10.1981","0.0004","90","","110.216","0.005","90","","894.85","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0339","0.0312","","","0.0771","0.0787","","","","","","1.075","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226883","16.685","0.0005","5.027","0.0002","22.863","0.0007","90","","96.02","0.002","90","","1907.07","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0421","0.0344","","","0.0843","0.091","","","","","","1.036","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226884","16.4774","0.001","5.1561","0.0004","24.853","0.0016","90","","92.793","0.004","90","","2109","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C96 H96 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0782","0.0612","","","0.1761","0.1902","","","","","","1.057","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226885","43.491","0.005","5.2413","0.0005","19.472","0.002","90","","104.452","0.004","90","","4298.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1059","0.0507","","","0.12","0.1484","","","","","","1.02","","","","has coordinates,has disorder","191562","2020-10-21","18:00:00",""
"7226886","32.3856","0.0016","5.3119","0.0002","15.6793","0.0008","90","","110.527","0.003","90","","2526","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0952","0.0726","","","0.2056","0.236","","","","","","1.046","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226887","13.856","0.0007","20.5314","0.0011","13.6341","0.0007","90","","116.97","0.002","90","","3456.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O5 -","- C40 H40 N2 O5 -","- C160 H160 N8 O20 -","4","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1039","0.0554","","","0.1462","0.1906","","","","","","1.063","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226904","7.6148","0.0009","7.8988","0.0008","24.473","0.003","90","","90","","90","","1472","0.3","120","2","120","2","","","","","","","","4","C m c e","-C 2ac 2","64","","?DW-X-7-SEB 2-amino-5-(iodoethynyl)-pyrimidine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.1004","0.0865","","","0.1898","0.1975","","","","","","1.064","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226905","4.3404","0.0007","7.7073","0.0012","8.6344","0.0015","90","","91.363","0.009","90","","288.76","0.08","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","DW-Y-2 2-amino-5-ethynylpyrimidine","","- C6 H5 N3 -","- C6 H5 N3 -","- C12 H10 N6 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0524","0.0416","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226906","5.7837","0.0005","6.113","0.0005","16.4016","0.0014","98.086","0.004","92.18","0.004","101.892","0.004","560.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DW-X-8-DOD [2-amino-5-(iodoethynyl)-pyrimidine]2, 2,3,5,6-Me4-pyrazine","","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0384","0.0319","","","0.0887","0.0919","","","","","","1.069","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226907","5.7849","0.0018","6.0656","0.0018","14.756","0.005","79.742","0.008","88.831","0.008","80.342","0.007","502.3","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-8 (2-amino-5-ethynylpyrimidine)2, 2,3,5,6-Me4-pyrazine","","- C20 H22 N8 -","- C20 H22 N8 -","- C20 H22 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.067","0.0463","","","0.1222","0.1365","","","","","","1.099","","","","has coordinates,has disorder","191574","2020-10-21","18:00:00",""
"7226908","19.625","0.002","7.5472","0.0007","8.2583","0.0008","90","","100.95","0.004","90","","1200.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DW-X-4 [2-amino-5-(iodoethynyl)-pyrimidine]2, 1,2-bis(4-pyridyl)ethylene","","- C24 H18 I2 N8 -","- C24 H18 I2 N8 -","- C48 H36 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0305","0.0242","","","0.0539","0.0567","","","","","","1.058","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226909","5.9068","0.0006","11.5286","0.0012","15.8169","0.0016","104.471","0.004","93.042","0.005","95.934","0.004","1033.84","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-4 2-amino-5-ethynylpyrimidine, (1,2-bis(4-pyridyl)ethylene)2","","- C24 H20 N8 -","- C24 H20 N8 -","- C48 H40 N16 -","2","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0879","0.0573","","","0.1611","0.1814","","","","","","1.096","","","","has coordinates,has disorder","191574","2020-10-21","18:00:00",""
"7226910","13.066","0.005","19.265","0.005","20.892","0.005","97.447","0.005","101.774","0.005","99.064","0.005","5012","3","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- Cr Cs5 H24 K2 O90 Si2 Ta6 W18 -","- Cr Cs5 K2 O83 Si2 Ta6 W18 -","- Cr2 Cs10 K4 O166 Si4 Ta12 W36 -","2","1","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0978","0.079","","","0.2087","0.2226","","","","","","0.971","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226911","34.419","0.005","16.271","0.005","21.596","0.005","90","0.005","114.928","0.005","90","0.005","10968","5","298","2","298.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- Cl2 Cs3 Fe H36 K4 O95 Si2 Ta6 W18 -","- Cl2 Cs4 Fe K4 O93 Si2 Ta6 W18 -","- Cl8 Cs16 Fe4 K16 O372 Si8 Ta24 W72 -","4","0.5","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0743","0.049","","","0.1242","0.1399","","","","","","1.02","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226912","31.07","0.04","10.5077","0.0013","8.559","0.0009","90","","90","","90","","2794","4","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2111","0.1183","","","0.3153","0.3792","","","","","","1.093","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226913","31.16","0.06","10.4812","0.0019","8.5557","0.0014","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2434","0.1371","","","0.3601","0.4245","","","","","","1.316","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226914","31.05","0.05","10.491","0.0016","8.5775","0.0013","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2364","0.1329","","","0.3763","0.4351","","","","","","1.356","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226915","31.05","0.05","10.491","0.0016","8.5625","0.0013","90","","90","","90","","2789","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2683","0.1456","","","0.3814","0.4502","","","","","","1.411","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226916","30.99","0.03","10.5162","0.0012","8.5388","0.0009","90","","90","","90","","2783","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2247","0.1203","","","0.3024","0.3732","","","","","","1.054","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226917","30.83","0.03","10.5572","0.0011","8.5066","0.0009","90","","90","","90","","2769","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1812","0.1032","","","0.2518","0.3041","","","","","","1.037","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226918","30.88","0.04","10.2558","0.0009","8.4545","0.0009","90","","90","","90","","2678","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1557","0.0886","","","0.2595","0.2959","","","","","","1.106","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226919","30.68","0.03","10.3153","0.0007","8.3651","0.0006","90","","90","","90","","2647","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1099","0.0662","","","0.1734","0.2017","","","","","","1.063","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226920","30.37","0.03","10.2318","0.0012","8.3984","0.0009","90","","90","","90","","2610","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1957","0.0923","","","0.2315","0.2998","","","","","","1.049","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226921","30.46","0.03","10.2338","0.001","8.3341","0.0009","90","","90","","90","","2598","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.182","0.1028","","","0.2758","0.3321","","","","","","1.075","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226922","30.934","0.002","10.379","0.003","8.5247","0.0012","90","","90","","90","","2737","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1657","0.0852","","","0.1963","0.2429","","","","","","1.036","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226923","30.841","0.002","10.374","0.003","8.5367","0.0013","90","","90","","90","","2731.3","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2251","0.1224","","","0.301","0.3602","","","","","","1.061","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226924","7.8304","0.0009","15.1834","0.0018","12.9152","0.0015","90","","103.176","0.005","90","","1495.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mp-p1B-H5 F5-I-benzene, [1,2,3]Triazolo[1,5-a]quinoline","","- C16 H7 F5 I N3 -","- C16 H7 F5 I N3 -","- C64 H28 F20 I4 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.035","0.0265","","","0.0604","0.0651","","","","","","1.055","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226925","6.6906","0.0014","9.568","0.002","10.618","0.002","64.954","0.006","79.728","0.005","87.328","0.005","605.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Mp-p1b-Hb7 1,4-diiodotetrafluorobenzene, ([1,2,3]Triazolo[1,5-a]quinoline)2","","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","1","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0188","0.0181","","","0.0457","0.0464","","","","","","1.105","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226926","6.9843","0.0006","25.501","0.002","6.8129","0.0006","90","","108.111","0.004","90","","1153.3","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mp-p1b-H11 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)4-COOH","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C52 H48 N12 O8 -","2","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0642","0.0477","","","0.1181","0.1309","","","","","","1.097","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226927","10.9465","0.001","8.6731","0.0008","50.527","0.005","90","","93.861","0.004","90","","4786.2","0.8","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mp-p1b-H10 [1,2,3]Triazolo[1,5-a]quinoline","","- C10 H7 N3 -","- C10 H7 N3 -","- C240 H168 N72 -","24","3","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.1308","0.0697","","","0.1808","0.2101","","","","","","1.065","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226928","6.3976","0.0015","20.616","0.005","10.876","0.003","90","","98.126","0.009","90","","1420.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H21 [1,2,3]Triazolo[1,5-a]quinoline, 2-F-PhCOOH","","- C17 H12 F N3 O2 -","- C17 H12 F N3 O2 -","- C68 H48 F4 N12 O8 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.071","0.0504","","","0.1288","0.1439","","","","","","1.104","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226929","28.065","0.011","36.966","0.014","4.2708","0.0016","90","","90","","90","","4431","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Mp-p1b-H15 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)3-COOH","","- C25 H22 N6 O4 -","- C25 H22 N6 O4 -","- C200 H176 N48 O32 -","8","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0899","0.0533","","","0.1095","0.126","","","","","","0.986","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226930","6.658","0.0008","9.8155","0.0011","10.4663","0.0013","65.256","0.004","79.993","0.004","84.833","0.004","611.63","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","Mp-p1b-H24 {[1,2,3]Triazolo[1,5-a]quinoline}2, 4-I-F4-PhCOOH","","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","1","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.026","0.0257","","","0.0629","0.0633","","","","","","1.031","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226931","9.3698","0.0006","13.7351","0.0009","12.2408","0.0008","90","","90.6496","0.0015","90","","1575.23","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H29 [1,2,3]Triazolo[1,5-a]pyridine, 1,3,5-F3-2,4,6-I3-benzene","","- C12 H5 F3 I3 N3 -","- C12 H5 F3 I3 N3 -","- C48 H20 F12 I12 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0335","0.0288","","","0.0585","0.0598","","","","","","1.21","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226932","8.1237","0.0017","7.1542","0.0015","12.318","0.003","90","","92.502","0.007","90","","715.2","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Mp-p1b-H28 [1,2,3]triazolo[1,5-a]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C24 H10 F8 I4 N6 -","2","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0187","0.018","","","0.0499","0.0502","","","","","","1.113","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226941","18.855","0.002","5.622","0.0004","16.886","0.002","90","","121.342","0.017","90","","1528.8","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cu N6 O S2 -","- C10 H14 Cu N6 O S2 -","- C40 H56 Cu4 N24 O4 S8 -","4","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.044","0.0348","","","0.0794","0.0837","","","","","","1.066","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226942","9.8235","0.0005","10.5552","0.0006","15.0423","0.0006","77.423","0.004","79.796","0.004","63.616","0.006","1357.95","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","1","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0568","0.0344","","","0.0778","0.0835","","","","","","0.951","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226943","20.3583","0.0015","7.8165","0.0004","21.6675","0.0017","90","","116.1","0.009","90","","3096.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu2 N11 S3 -","- C25 H32 Cu2 N11 S3 -","- C100 H128 Cu8 N44 S12 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0853","0.0503","","","0.1147","0.1293","","","","","","0.983","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226944","12.7902","0.0007","8.3391","0.0003","15.9931","0.0007","90","","113.001","0.006","90","","1570.19","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N7 S2 -","- C13 H9 Cu N7 S2 -","- C52 H36 Cu4 N28 S8 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0417","0.0299","","","0.0743","0.0789","","","","","","1.04","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226969","18","0.0009","18.933","0.001","28.187","0.002","76.131","0.002","71.402","0.003","86.574","0.003","8837.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H142 N16 O47 S8 -","- C152 H112 N16 O47 S8 -","- C304 H224 N32 O94 S16 -","2","1","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","0.71073","MoKα","","0.3207","0.22","","","0.4847","0.5243","","","","","","1.678","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226970","34.8241","0.0009","11.9401","0.0002","41.747","0.001","90","","98.01","0.003","90","","17189.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H182 N20 O55 S8 -","- C180 H140 N20 O55 S8 -","- C720 H560 N80 O220 S32 -","4","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.1485","0.1372","","","0.3708","0.3747","","","","","","1.203","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226971","14.8749","0.0004","20.9698","0.0008","30.2225","0.0009","97.318","0.003","99.924","0.002","95.529","0.003","9142.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C388 H375 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","1","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.0978","0.0778","","","0.246","0.2607","","","","","","0.946","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226972","16.746","0.006","34.094","0.013","19.114","0.008","90","","104.321","0.006","90","","10574","7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 Mg4 N2 O27 -","- C78 H84 Mg4 N2 O27 -","- C312 H336 Mg16 N8 O108 -","4","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1528","0.0967","","","0.2591","0.2925","","","","","","1.034","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226973","15.547","0.006","20.203","0.01","20.451","0.012","118.19","0.03","95.92","0.07","103.52","0.05","5331","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H79 Ca4 Cl N2 O26 -","- C72 H79 Ca4 Cl N2 O26 -","- C144 H158 Ca8 Cl2 N4 O52 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.1977","0.1417","","","0.3812","0.4188","","","","","","1.114","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226974","16.331","0.006","19.681","0.005","21.132","0.004","59.93","0.017","71.32","0.02","83.87","0.02","5556","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 N6 O28 Sr4 -","- C92 H114 N6 O28 Sr4 -","- C184 H228 N12 O56 Sr8 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1618","0.1064","","","0.2324","0.2687","","","","","","1.042","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226975","19.519","0.004","19.943","0.003","32.106","0.007","76.687","0.014","83.425","0.015","61.034","0.009","10641","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H234 Ba9 N20 O68 -","- C188 H234 Ba9 N20 O68 -","- C376 H468 Ba18 N40 O136 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.0448","0.0308","","","0.0597","0.0637","","","","","","0.72","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226987","6.9223","0.0013","8.2857","0.0016","16.275","0.003","79.871","0.005","78.545","0.004","82.818","0.005","896.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","isoliquiritigenin-isonicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C42 H36 N4 O10 -","2","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1303","0.0744","","","0.1727","0.2","","","","","","1.023","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226988","21.909","0.006","3.7898","0.0013","23.918","0.007","90","","114.968","0.008","90","","1800.3","1","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","isoliquiritigenin-nicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1738","0.1314","","","0.2294","0.2442","","","","","","1.193","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226989","5.8589","0.0003","20.01","0.0012","10.2562","0.0005","90","","100.97","0.005","90","","1180.43","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C48 H48 N4 O12 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.045","0.0399","","","0.1041","0.109","","","","","","1.041","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226990","15.3622","0.0008","5.6904","0.0003","24.0819","0.001","90","","90","","90","","2105.17","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O6 S2 -","- C22 H20 N2 O6 S2 -","- C88 H80 N8 O24 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0797","0.0783","","","0.2017","0.2026","","","","","","1.115","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226991","13.7666","0.0008","4.7286","0.0003","25.9341","0.0013","90","","97.914","0.006","90","","1672.15","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S2 -","- C18 H14 N2 O4 S2 -","- C72 H56 N8 O16 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0737","0.0576","","","0.1482","0.1623","","","","","","1.032","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226992","39.546","0.004","39.546","0.004","5.9306","0.0008","90","","90","","120","","8032.2","1.6","120","2","120","2","","","","","","","","5","R 3","R 3","146","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C342 H324 N36 O36 S36 -","18","","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1233","0.0837","","","0.2238","0.2655","","","","","","1.008","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226993","10.1252","0.0004","14.6758","0.0004","34.2996","0.0009","90","","90","","90","","5096.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Br N2 O4 S2 -","- C25 H27 Br N2 O4 S2 -","- C200 H216 Br8 N16 O32 S16 -","8","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","0.6889","","","0.0967","0.0755","","","0.2206","0.2391","","","","","","1.08","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226994","15.8547","0.0005","6.138","0.0002","37.0248","0.0012","90","","90","","90","","3603.1","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 N2 O4 S2 -","- C19 H16 N2 O4 S2 -","- C152 H128 N16 O32 S16 -","8","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1357","0.1318","","","0.3771","0.3826","","","","","","1.754","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226995","10.18976","0.0001","14.54422","0.00015","26.2201","0.0003","90","","99.5359","0.0011","90","","3832.18","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br2 N4 O4 S4 -","- C40 H38 Br2 N4 O4 S4 -","- C160 H152 Br8 N16 O16 S16 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0959","0.0981","","","","","","1.06","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226996","15.855","0.0002","5.37336","0.00005","16.575","0.0002","90","","112.663","0.0015","90","","1303.07","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 N2 O2 S2 -","- C26 H30 Br2 N2 O2 S2 -","- C52 H60 Br4 N4 O4 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0254","0.0248","","","0.0694","0.0699","","","","","","1.097","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226997","16.0248","0.0004","5.61472","0.00012","25.7171","0.0006","90","","106.106","0.003","90","","2223.07","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C96 H112 N8 O8 S8 -","4","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.04","0.0362","","","0.0953","0.0982","","","","","","1.049","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7227004","28.0134","0.0007","17.8914","0.0004","12.7629","0.0003","90","","90","","90","","6396.8","0.3","293","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C112 H72 Mg16 N8 Ni24 O178 P8 -","2","0.125","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.0821","0.0778","","","0.1886","0.1899","","","","","","1.095","","","","has coordinates","187996","2020-10-21","18:00:00",""
"7227005","11.759","0.0007","11.759","0.0007","11.759","0.0007","90","","90","","90","","1625.96","0.17","113","2","113","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Co K N8 -","- C12 H16.0032 Co K N8 -","- C48 H64.0128 Co4 K4 N32 -","4","0.0208333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0285","0.0274","","","0.0808","0.0812","","","","","","1.018","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227006","11.8233","0.0015","11.8233","0.0015","11.8233","0.0015","90","","90","","90","","1652.8","0.4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C12 H16 Co K N8 -","- C12.0008 H16.0032 Co K N8 -","- C48.0032 H64.0128 Co4 K4 N32 -","4","0.0833333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0452","0.0405","","","0.1336","0.1353","","","","","","1.053","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227007","8.6301","0.0005","7.7579","0.0007","23.769","0.002","90","","98.599","0.004","90","","1573.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-cyanopyridine)(1,2-dichloroethane)0.5","","- C12 H12 Br2 Cl N4 O2 -","- C12 H12 Br2 Cl N4 O2 -","- C48 H48 Br8 Cl4 N16 O8 -","4","0.5","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1346","0.1428","","","","","","1.058","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227008","7.714","0.0004","8.0925","0.0004","9.1626","0.0004","64.045","0.003","81.55","0.004","85.532","0.004","508.65","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)2(pyrazine)","","- C7 H8 Br2 N3 O2 -","- C7 H8 Br2 N3 O2 -","- C14 H16 Br4 N6 O4 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0357","0.0282","","","0.075","0.0775","","","","","","1.108","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227009","6.1692","0.0008","7.97","0.001","15.743","0.002","88.236","0.005","81.458","0.005","85.411","0.005","762.88","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)(methylisonicotinate)","","- C12 H13 Br2 N3 O4 -","- C12 H13 Br2 N3 O4 -","- C24 H26 Br4 N6 O8 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.072","0.0559","","","0.1645","0.1774","","","","","","1.035","","","","has coordinates,has disorder","190078","2020-10-21","18:00:00",""
"7227010","6.5779","0.0005","7.9462","0.0005","32.486","0.002","90","","90","","90","","1698","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N,N'-Dibromo-(S)-5-isobutylhydantoin)(methylisonicotinate)","","- C14 H17 Br2 N3 O4 -","- C14 H17 Br2 N3 O4 -","- C56 H68 Br8 N12 O16 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0436","0.0313","","","0.0545","0.0574","","","","","","1.048","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227011","9.4108","0.0004","7.9826","0.0003","19.9558","0.001","90","","97.418","0.002","90","","1486.59","0.11","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-trifluoromethylpyridine)","","- C11 H10 Br2 F3 N3 O2 -","- C11 H10 Br2 F3 N3 O2 -","- C44 H40 Br8 F12 N12 O8 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0523","0.0339","","","0.0928","0.1177","","","","","","0.819","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227012","9.2276","0.0005","11.6453","0.0006","12.8446","0.0007","89.771","0.001","76.772","0.001","76.684","0.001","1305.78","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O8 -","- C28 H26 Cu N4 O8 -","- C56 H52 Cu2 N8 O16 -","2","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0379","0.0318","","","0.0832","0.0859","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227013","9.0062","0.0006","19.4623","0.0014","16.0701","0.0012","90","","94.442","0.001","90","","2808.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu N4 O8 -","- C28 H32 Cu N4 O8 -","- C112 H128 Cu4 N16 O32 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.084","0.0509","","","0.116","0.1306","","","","","","1.02","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227014","18.447","0.0002","21.014","0.0003","28.775","0.0004","90","","90","","90","","11154.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 N8 Ni2 O13 -","- C56 H58 N8 Ni2 O13 -","- C448 H464 N64 Ni16 O104 -","8","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1024","0.0541","","","0.1084","0.124","","","","","","1","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227015","5.7315","0.0019","8.915","0.003","18.554","0.006","76.76","0.006","81.312","0.006","82.111","0.006","907","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1066","0.0855","","","0.2207","0.2399","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227016","16.4579","0.0008","7.6329","0.0003","15.1328","0.0007","90","","115.053","0.001","90","","1722.15","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N2 O6 -","- C18 H18 Co N2 O6 -","- C72 H72 Co4 N8 O24 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0297","0.0269","","","0.0781","0.0799","","","","","","1.048","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227029","14.042","0.009","18.453","0.011","17.33","0.011","90","","110.124","0.007","90","","4216","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H15 Br3 Cu3 O15 -","- C24 H15 Br3 Cu3 O15 -","- C96 H60 Br12 Cu12 O60 -","4","0.5","","Cheng, Fujun; Wang, Haijun; Hua, Yinying; Cao, Haifei; Zhou, Bihang; Duan, Jingui; Jin, Wanqin","Halogen bonded supramolecular porous structures with a kgm layer","CrystEngComm","2016","18","48","9227","","10.1039/C6CE02247B","","","0.71073","MoKα","","0.1629","0.0869","","","0.1753","0.1925","","","","","","1.022","","","","has coordinates","190073","2020-10-21","18:00:00",""
"7227043","7.5189","0.0007","8.8078","0.0007","13.135","0.001","87.752","0.006","89.74","0.007","80.065","0.007","856.16","0.12","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0722","0.0619","","","0.1713","0.1793","","","","","","1.031","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227044","8.3571","0.0003","15.9841","0.0005","12.6113","0.0005","90","","93.225","0.003","90","","1681.96","0.1","130","2","130.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C88 H56 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0494","0.0403","","","0.1095","0.1174","","","","","","1.07","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227045","11.9675","0.0003","10.4959","0.0003","14.5659","0.0003","90","","92.307","0.002","90","","1828.14","0.08","130","2","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 N5 -","- C22 H10 F4 N5 -","- C88 H40 F16 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0721","0.0646","","","0.1812","0.1891","","","","","","1.085","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227046","7.1083","0.0002","25.3703","0.0005","12.9159","0.0003","90","","100.474","0.002","90","","2290.44","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N6 O2 -","- C25 H21 F4 N6 O2 -","- C100 H84 F16 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0417","0.0338","","","0.085","0.0902","","","","","","1.028","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227047","7.088","0.0003","12.1413","0.0006","13.3964","0.0007","110.968","0.005","93.792","0.004","103.933","0.004","1029.99","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N6 O2 -","- C25 H17 N6 O2 -","- C50 H34 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0476","0.0444","","","0.1229","0.1263","","","","","","1.056","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227048","7.3694","0.0003","11.4503","0.0005","14.4977","0.0008","66.999","0.004","82.796","0.004","88.216","0.003","1116.98","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N6 O2 -","- C25 H25 N6 O2 -","- C50 H50 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0579","0.0497","","","0.1527","0.1572","","","","","","1.122","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227049","7.8219","0.0004","12.454","0.0005","13.5137","0.0006","117.204","0.004","90.126","0.004","104.916","0.005","1120.3","0.1","130","2","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N6 O3 -","- C26 H23 N6 O2.995 -","- C52 H46 N12 O5.99 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0643","0.0547","","","0.1385","0.1457","","","","","","1.083","","","","has coordinates,has disorder","190067","2020-10-21","18:00:00",""
"7227050","7.3613","0.0002","37.7897","0.0007","7.9918","0.0002","90","","115.71","0.004","90","","2003.08","0.11","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N6 O2 -","- C24 H15 N6 O2 -","- C96 H60 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0455","0.0382","","","0.0957","0.1004","","","","","","1.1","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227051","9.6649","0.0003","7.056","0.0002","16.1763","0.0006","90","","96.103","0.003","90","","1096.9","0.06","130","2","130","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H23 N6 -","- C26 H23 N6 -","- C52 H46 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.063","0.0563","","","0.1452","0.1568","","","","","","1.062","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227052","6.6808","0.0002","13.9762","0.0005","18.9142","0.0007","96.805","0.003","100.163","0.003","95.734","0.003","1712.87","0.1","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H28 N12 -","- C40 H28 N12 -","- C80 H56 N24 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0428","0.0344","","","0.0915","0.0964","","","","","","1.052","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227053","7.1455","0.0004","9.884","0.0007","16.27","0.0009","82.795","0.005","89.046","0.005","82.02","0.006","1128.97","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F4 N6 -","- C26 H19 F4 N6 -","- C52 H38 F8 N12 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0973","0.0781","","","0.2886","0.3038","","","","","","1.245","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227054","7.7053","0.0005","10.2744","0.0007","12.1391","0.0009","90.196","0.006","97.753","0.006","97.1","0.006","944.74","0.11","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H30 N10 -","- C50 H30 N10 -","- C50 H30 N10 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0594","0.046","","","0.1203","0.1313","","","","","","1.01","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227055","13.555","0.0014","26.637","0.003","28.386","0.003","90","","99.374","0.002","90","","10112.3","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H71.5 Co5 N25.5 O14.5 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2395","0.0637","","","0.1295","0.1641","","","","","","0.642","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227056","41.0956","0.0015","24.8982","0.0009","28.2361","0.0011","90","","104.629","0.002","90","","27954.7","1.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H87 Br4 Co5 N26 O11.5 -","- C102 H80 Br4 Co5 N26 O8 -","- C816 H640 Br32 Co40 N208 O64 -","8","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2717","0.11","","","0.261","0.3578","","","","","","0.96","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227057","13.241","0.003","26.889","0.005","28.423","0.006","90","","101.13","0.03","90","","9929","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H73 Cl Co5 N24 O12 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.0946","0.0693","","","0.2013","0.2236","","","","","","1.065","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227058","12.9691","0.0011","26.539","0.002","29.04","0.002","90","","104.905","0.007","90","","9658.9","1.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl4 Fe2 N24 O9 Zn3 -","- C96 H66 Cl4 Fe2 N24 O6 Zn3 -","- C384 H264 Cl16 Fe8 N96 O24 Zn12 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.3355","0.1192","","","0.2639","0.3849","","","","","","0.963","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227059","10.9907","0.0011","14.3055","0.0015","18.0914","0.0019","72.806","0.006","87.022","0.006","72.711","0.006","2592.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Br4 Cl Cu N10 O2 -","- C37 H35 Br4 Cl Cu N10 -","- C74 H70 Br8 Cl2 Cu2 N20 -","2","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2313","0.1057","","","0.2536","0.3193","","","","","","0.982","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227060","15.327","0.003","15.327","0.003","25.887","0.005","90","","90","","90","","6081","2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C57 H49 Cl Cu2 N18 O8 -","- C56 H48 Cl Cu2 N18 O6 -","- C224 H192 Cl4 Cu8 N72 O24 -","4","","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.1662","0.1543","","","0.3389","0.3501","","","","","","1.678","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227061","21.5317","0.0007","9.9017","0.0003","16.3749","0.0005","90","","90","","90","","3491.14","0.19","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Eu Mo N12 O7 -","- C23 H42 Eu Mo N12 O7 -","- C92 H168 Eu4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0475","0.0451","","","0.09","0.0932","","","","","","1.123","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227062","21.4968","0.0012","9.8959","0.0005","16.3664","0.0008","90","","90","","90","","3481.6","0.3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Gd Mo N12 O7 -","- C23 H42 Gd Mo N12 O7 -","- C92 H168 Gd4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0429","0.0405","","","0.0866","0.0886","","","","","","1.091","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227063","7.3884","0.0007","11.2382","0.001","14.808","0.0013","94.017","0.005","96.891","0.005","109.057","0.005","1145.92","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O9 -","- C24 H18 N4 O9 -","- C48 H36 N8 O18 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.126","0.0515","","","0.1042","0.1284","","","","","","1","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227064","14.4119","0.0006","7.3071","0.0003","15.2855","0.0007","90","","106.646","0.003","90","","1542.25","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0707","0.0438","","","0.1166","0.135","","","","","","1.031","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227065","6.5509","0.0004","9.5558","0.0007","24.5384","0.0017","90","","91.662","0.004","90","","1535.44","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.096","0.0553","","","0.1441","0.1713","","","","","","1.013","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227066","9.0241","0.0015","11.982","0.002","14.549","0.002","90","","107.874","0.019","90","","1497.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1722","0.0928","","","0.1547","0.1945","","","","","","1.063","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227067","3.9318","0.0005","11.7049","0.0015","16.914","0.002","99.084","0.008","94.248","0.008","94.176","0.008","763.7","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1602","0.0555","","","0.1151","0.1705","","","","","","1.022","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227068","16.7216","0.0018","10.9118","0.0011","18.807","0.002","90","","113.093","0.006","90","","3156.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O5.5 -","- C17 H15 N2 O5.5 -","- C136 H120 N16 O44 -","8","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0926","0.0514","","","0.1046","0.1204","","","","","","1.068","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7227069","14.9671","0.0009","7.0737","0.0004","15.0978","0.0009","90","","96.54","0.004","90","","1588.04","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1155","0.0541","","","0.1265","0.1535","","","","","","1.027","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227070","27.622","0.006","10.446","0.002","23.476","0.005","90","","107.661","0.003","90","","6454","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C196 H140 Br8 Cu4 F120 Gd4 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0494","","","0.1473","0.1551","","","","","","1.018","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227071","27.435","0.005","10.4861","0.0017","23.51","0.005","90","","107.52","0.004","90","","6450","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C196 H140 Br8 Cu4 Dy4 F120 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0627","0.0498","","","0.1434","0.1524","","","","","","1.014","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227072","11.73","0.0008","14.9975","0.0013","16.8333","0.0013","82.081","0.005","71.866","0.004","79.621","0.005","2757.6","0.4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br Cu F30 Gd N3 O13 -","- C37 H22 Br Cu F30 Gd N3 O13 -","- C74 H44 Br2 Cu2 F60 Gd2 N6 O26 -","2","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0622","0.0499","","","0.1339","0.1475","","","","","","1.021","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227073","17.578","0.004","14.131","0.003","22.056","0.004","90","","106.7","0.03","90","","5248","2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu Dy F30 N3 O13 -","- C37 H22 Br Cu Dy F30 N3 O13 -","- C148 H88 Br4 Cu4 Dy4 F120 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0465","","","0.1309","0.1391","","","","","","1.012","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227074","14.835","0.003","19.359","0.004","18.279","0.004","90","","100.87","0.03","90","","5155.4","1.9","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 La N3 O13 -","- C37 H22 Br Cu F30 La N3 O13 -","- C148 H88 Br4 Cu4 F120 La4 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0654","0.0485","","","0.1237","0.137","","","","","","1.005","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227075","14.802","0.002","19.305","0.002","18.193","0.002","90","","100.899","0.004","90","","5104.9","1","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 N3 O13 Pr -","- C37 H22 Br Cu F30 N3 O13 Pr -","- C148 H88 Br4 Cu4 F120 N12 O52 Pr4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0343","0.0268","","","0.071","0.0725","","","","","","1.02","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7227076","27.231","0.006","10.521","0.002","23.519","0.005","90","","107.426","0.003","90","","6429","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C196 H140 Br8 Cu4 F120 N24 O56 Tb4 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.053","0.0467","","","0.1411","0.1489","","","","","","1.023","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227077","17.6067","0.0018","14.1422","0.001","22.0961","0.0017","90","","106.795","0.005","90","","5267.2","0.8","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu F30 N3 O13 Tb -","- C37 H22 Br Cu F30 N3 O13 Tb -","- C148 H88 Br4 Cu4 F120 N12 O52 Tb4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0388","0.0368","","","0.1258","0.1277","","","","","","1.019","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227098","17.5317","0.0012","17.5317","0.0012","15.757","0.002","90","","90","","90","","4843.1","0.8","296","2","296","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","NJU-Bai18","","","- C17 H11 Cl Co N2 O2 -","- C17 H11 Cl Co N2 O2 -","- C136 H88 Cl8 Co8 N16 O16 -","8","0.5","","Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng","A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake","CrystEngComm","2016","18","47","9003","","10.1039/C6CE02047J","","","0.71073","MoKα","","0.0526","0.0472","","","0.1633","0.1679","","","","","","1.061","","","","has coordinates,has disorder","190092","2020-10-21","18:00:00",""
"7227099","10.048","0.003","20.458","0.005","10.462","0.003","90","","92.797","0.005","90","","2148","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Mn N2 O8 -","- C24 H20 Mn N2 O8 -","- C96 H80 Mn4 N8 O32 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0862","0.059","","","0.129","0.149","","","","","","1.022","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227100","12.38","0.005","6.836","0.003","13.578","0.005","90","","114.624","0.007","90","","1044.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O4 Zn -","- C12 H8 N O4 Zn -","- C48 H32 N4 O16 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1071","0.0597","","","0.1275","0.145","","","","","","1.094","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227101","15.864","0.002","10.2331","0.0014","8.453","0.0011","90","","93.405","0.002","90","","1369.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O7 Pb -","- C12 H10 N2 O7 Pb -","- C48 H40 N8 O28 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0587","0.0495","","","0.1439","0.1568","","","","","","1.014","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227102","13.412","0.003","15.726","0.003","12.078","0.003","90","","92.315","0.004","90","","2545.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Mn3 N4 O26 -","- C50 H42 Mn3 N4 O26 -","- C100 H84 Mn6 N8 O52 -","2","0.5","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1313","0.0911","","","0.2806","0.323","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227103","21.133","0.008","7.397","0.003","15.679","0.006","90","","118.019","0.007","90","","2163.7","1.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H20 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1168","0.0906","","","0.2572","0.2743","","","","","","1.068","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227104","20.213","0.005","17.232","0.005","7.666","0.002","90","","95.997","0.005","90","","2655.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O6 Pb -","- C24 H16 N2 O6 Pb -","- C96 H64 N8 O24 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0597","0.0389","","","0.0902","0.0945","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227120","31.654","0.002","9.7728","0.0007","37.31","0.002","90","","90","","90","","11541.8","1.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H63 N3 O14 Zn2 -","- C54.36 H53.04 N2 O12.36 Zn2 -","- C434.88 H424.32 N16 O98.88 Zn16 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2249","0.146","","","0.3889","0.4154","","","","","","1.208","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227121","32.094","0.002","9.8357","0.0007","37.7628","0.0016","90","","90","","90","","11920.5","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H72 Co2 N4 O15 -","- C55 H54 Co2 N2 O13 -","- C440 H432 Co16 N16 O104 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","","1.54184","CuKα","","0.1346","0.0836","","","0.2382","0.2812","","","","","","1.029","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227122","23.7409","0.0014","23.9301","0.0014","31.1933","0.0016","68.75","0.005","88.214","0.004","60.764","0.006","14179","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C264 H331 N21 O62 Zn6 -","- C204 H189 N6 O47 Zn6 -","- C408 H378 N12 O94 Zn12 -","2","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2211","0.1727","","","0.4367","0.4728","","","","","","1.484","","","","has coordinates","191557","2020-10-21","18:00:00",""
"7227123","16.923","0.003","4.7963","0.0007","9.884","0.0015","90","","101.424","0.005","90","","786.4","0.2","420","2","420","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0815","0.0723","","","0.2234","0.2377","","","","","","1.05","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227124","16.894","0.002","4.7953","0.0006","9.8686","0.0013","90","","101.318","0.004","90","","783.93","0.17","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0773","0.0711","","","0.2252","0.2368","","","","","","1.055","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227125","12.5078","0.0009","8.3906","0.0006","11.3259","0.0009","90","","116.232","0.004","90","","1066.21","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 -","- C13 H11 F N2 -","- C52 H44 F4 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0731","0.0494","","","0.125","0.1388","","","","","","1.073","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227126","22.9004","0.0012","11.908","0.0006","8.2228","0.0005","90","","104.178","0.003","90","","2174","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.101","0.085","","","0.2131","0.2268","","","","","","1.107","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227127","9.4875","0.0003","11.5929","0.0004","10.3365","0.0003","90","","93.915","0.002","90","","1134.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0753","0.0574","","","0.1413","0.1511","","","","","","1.073","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227128","9.6935","0.0003","10.9094","0.0003","10.3672","0.0003","90","","94.576","0.002","90","","1092.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0433","0.038","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","191581","2020-10-21","18:00:00",""
"7227131","10.6305","0.0008","13.32","0.001","16.2613","0.0012","90","","107.408","0.004","90","","2197.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KHC-053","","","- C20 H16 N2 O8 Zn2 -","- C20 H16 N2 O8 Zn2 -","- C80 H64 N8 O32 Zn8 -","4","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.1686","0.0739","","","0.1791","0.219","","","","","","0.985","","","","has coordinates,has disorder","191577","2020-10-21","18:00:00",""
"7227132","8.8979","0.0003","21.4587","0.0007","13.4851","0.0004","90","","96.7804","0.0016","90","","2556.8","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4.5 Zn -","- C16 H12 N2 O4.5 Zn -","- C64 H48 N8 O18 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0596","0.0494","","","0.1399","0.145","","","","","","1.106","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227133","8.1425","0.0002","9.1496","0.0002","11.5118","0.0003","97.185","0.0016","96.2776","0.0017","102.745","0.0016","821.58","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","CIH065R","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C36 H36 N4 O8 Zn2 -","2","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.0892","0.065","","","0.1444","0.159","","","","","","1.041","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227134","12.396","0.003","13.262","0.003","15.772","0.003","90","","90","","90","","2592.8","1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C72 H56 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2084","0.0753","","","0.1912","0.2263","","","","","","0.859","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227135","8.8583","0.0002","21.437","0.0005","13.5925","0.0003","90","","95.7932","0.0012","90","","2567.97","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0549","0.0412","","","0.0899","0.0934","","","","","","1.137","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227136","12.471","0.003","13.306","0.003","15.711","0.003","90","","90","","90","","2607.1","1","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H14 I0.1 N2 O4 Zn -","- C18 H14 I0.1 N2 O4 Zn -","- C72 H56 I0.4 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2318","0.0894","","","0.1491","0.2079","","","","","","1.051","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227139","12.5902","0.0005","13.8557","0.0006","7.0755","0.0003","90","","93.443","0.004","90","","1232.07","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0588","0.0411","","","0.0764","0.086","","","","","","1.06","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227140","11.4833","0.0008","12.8687","0.0006","15.1022","0.0008","90","","97.349","0.006","90","","2213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Co N3 O6 -","- C23 H19 Co N3 O6 -","- C92 H76 Co4 N12 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0752","0.0478","","","0.0865","0.1006","","","","","","1.001","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227141","10.035","0.0003","11.632","0.0003","18.666","0.0006","90","","90","","90","","2178.83","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C100 H68 Co4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0501","0.0399","","","0.0798","0.0861","","","","","","1.012","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227142","12.5528","0.0007","14.2273","0.0007","7.1047","0.0004","90","","93.315","0.005","90","","1266.72","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Ni O12 -","- C26 H24 N2 Ni O12 -","- C52 H48 N4 Ni2 O24 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0799","0.0498","","","0.0831","0.0995","","","","","","1.072","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227143","12.5405","0.0004","13.8008","0.0004","7.0319","0.0003","90","","93.828","0.003","90","","1214.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0475","0.0352","","","0.0753","0.0838","","","","","","1.065","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227144","12.523","0.004","14.22","0.003","7.0884","0.0019","90","","93.4","0.04","90","","1260.1","0.6","295.69","0.16","295.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O12 Zn -","- C26 H24 N2 O12 Zn -","- C52 H48 N4 O24 Zn2 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1023","0.0561","","","0.1206","0.1319","","","","","","0.927","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227145","9.0764","0.0014","16.0794","0.0016","13.913","0.003","90","","106.7","0.02","90","","1944.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O4 Zn -","- C23 H15 N3 O4 Zn -","- C92 H60 N12 O16 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1595","0.0684","","","0.0781","0.1034","","","","","","1.003","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227146","10.0211","0.0005","11.6063","0.0008","18.7216","0.0011","90","","90","","90","","2177.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N3 O5 Zn -","- C25 H17 N3 O5 Zn -","- C100 H68 N12 O20 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0641","0.0464","","","0.0646","0.0745","","","","","","1.074","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227147","10.1184","0.0004","11.542","0.0004","18.8913","0.0009","90","","90","","90","","2206.25","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C100 H68 Mn4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0676","0.0471","","","0.0725","0.082","","","","","","1.013","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227148","10.0257","0.0003","11.6347","0.0006","18.6389","0.0005","90","","90","","90","","2174.15","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0637","0.0522","","","0.1218","0.1327","","","","","","1.137","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227149","10.9405","0.0007","21.724","0.0017","23.897","0.0011","90","","91.988","0.005","90","","5676.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Cd3 N7 O16 -","- C63 H37 Cd3 N7 O16 -","- C252 H148 Cd12 N28 O64 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1722","0.0916","","","0.2109","0.2717","","","","","","1.023","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227152","13.3655","0.0009","17.7584","0.0011","21.054","0.0014","106.656","0.001","92.95","0.001","110.785","0.001","4410","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 Cl N16 O42 V16 Zn3.5 -","- C51 H70 Cl N16 O42 V16 Zn3.5 -","- C102 H140 Cl2 N32 O84 V32 Zn7 -","2","1","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0989","0.0604","","","0.1546","0.1761","","","","","","1.051","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227153","14.989","0.002","14.989","0.002","28.467","0.006","90","","90","","120","","5538.8","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H106 Cl N36 Ni3 O53 V15 -","- C54 H72 Cl N36 Ni3 O53.0001 V15 -","- C108 H144 Cl2 N72 Ni6 O106 V30 -","2","0.166667","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0815","0.0625","","","0.1776","0.1928","","","","","","1.088","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227154","22.904","0.003","13.0032","0.0012","25.754","0.002","90","","95.05","0.002","90","","7640.4","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 N12 O34 V10 Zn2 -","- C60 H48 N12 O34 V10 Zn2 -","- C240 H192 N48 O136 V40 Zn8 -","4","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0874","0.0491","","","0.1182","0.1363","","","","","","1.044","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227155","12.18","0.0007","13.5592","0.0008","13.8287","0.0007","85.204","0.004","65.431","0.005","75.508","0.005","2010.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","1","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0649","0.0518","","","0.1557","0.1682","","","","","","1.021","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227156","9.785","0.001","10.4737","0.001","14.8053","0.001","80.999","0.01","89.131","0.01","70.023","0.01","1407.3","0.2","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N5 O5 -","- C26 H33 Cl2 N5 O5 -","- C52 H66 Cl4 N10 O10 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0603","0.0467","","0.1177","0.1087","0.1176","","","","","","0.9712","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227157","14.6736","0.0006","14.8453","0.0005","15.2727","0.0006","90","","114.517","0.005","90","","3027","0.2","120","","120","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 N5 O4 -","- C30 H39 Cl2 N5 O4 -","- C120 H156 Cl8 N20 O16 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0574","0.0488","","0.1306","0.1215","0.1305","","","","","","0.9782","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227158","9.1549","0.001","13.0427","0.001","15.0857","0.001","69.094","0.01","88.905","0.01","77.835","0.01","1641.8","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cl2 N5 O10 -","- C26 H43 Cl2 N5 O10 -","- C52 H86 Cl4 N10 O20 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.0604","0.0492","","0.1367","0.1267","0.1367","","","","","","0.9762","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227159","10.3869","0.0004","10.6513","0.0004","14.8652","0.0005","104.472","0.003","97.659","0.003","91.287","0.003","1575.54","0.1","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C29 H41 Cl2 N5 O6 -","- C29 H41 Cl2 N5 O6 -","- C58 H82 Cl4 N10 O12 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0637","0.0536","","0.1525","0.138","0.1523","","","","","","0.9695","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227160","12.3231","0.001","13.9721","0.001","30.2678","0.001","90","","90","","90","","5211.5","0.6","120","","120","","","","100","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl2 N5 O4 -","- C26 H31 Cl2 N5 O4 -","- C208 H248 Cl16 N40 O32 -","8","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0446","0.0404","","0.0933","0.0913","0.0932","","","","","","0.9177","","","","has coordinates,has disorder","190076","2020-10-21","18:00:00",""
"7227161","10.6335","0.0002","14.8355","0.0003","22.083","0.0004","72.0962","0.0017","81.9476","0.0017","81.2892","0.0017","3260.49","0.11","120","","120","","","","100","","","","","6","P -1","-P 1","2","","","","- C28 H41 Cl2 N5 O7 S -","- C28 H41 Cl2 N5 O7 S -","- C112 H164 Cl8 N20 O28 S4 -","4","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0606","0.0561","","0.152","0.1452","0.152","","","","","","0.9303","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227162","12.3214","0.0002","12.7934","0.0002","20.7918","0.0003","90","","102.051","0.0012","90","","3205.24","0.09","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Cl2 N5 O9 -","- C26 H41 Cl2 N5 O9 -","- C104 H164 Cl8 N20 O36 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0349","0.0312","","0.0797","0.0772","0.0797","","","","","","0.9744","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227163","10.294","0.001","11.1936","0.001","14.8961","0.001","107.974","0.01","98.064","0.01","90.706","0.01","1613.7","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl2 N5 O7 -","- C30 H41 Cl2 N5 O7 -","- C60 H82 Cl4 N10 O14 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0447","0.0423","","0.1126","0.1102","0.1126","","","","","","0.9439","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227164","15.0423","0.001","11.6835","0.001","31.4491","0.001","90","","92.372","0.01","90","","5522.3","0.6","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl2 N5 O4 -","- C27 H33 Cl2 N5 O4 -","- C216 H264 Cl16 N40 O32 -","8","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.102","0.0556","","0.151","0.1209","0.1507","","","","","","0.92","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227165","24.1866","0.0011","8.1122","0.0002","13.0215","0.0006","90","","91.868","0.003","90","","2553.55","0.18","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bosutinib anhydrate","","- C26 H29 Cl2 N5 O3 -","- C26 H29 Cl2 N5 O3 -","- C104 H116 Cl8 N20 O12 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.077","0.0766","","0.1022","0.1022","","","","3.88","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227166","9.5877","0.0006","12.476","0.0012","12.9719","0.0007","80.606","0.004","77.792","0.004","71.174","0.004","1427.84","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N5 O4 -","- C26 H28 Cl2 N5 O4 -","- C52 H56 Cl4 N10 O8 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.0876","0.0841","","0.0769","0.0766","","","","1.93","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227167","23.385","0.002","5.3635","0.0004","17.4866","0.0016","90","","110.455","0.01","90","","2055","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0974","0.0508","","","0.1113","0.1346","","","","","","1.04","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227168","5.5724","0.0003","11.3414","0.0007","17.3547","0.0009","90","","96.822","0.005","90","","1089.03","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C56 H40 N4 O4 S4 -","2","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0692","0.0569","","","0.1514","0.1642","","","","","","1.077","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227173","11.2871","0.0003","11.6719","0.0004","25.6378","0.0006","82.855","0.002","79.874","0.002","63.094","0.003","2961.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Y Zn -","- C24 H33 N4 O12 Y Zn -","- C96 H132 N16 O48 Y4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0393","0.0341","","","0.0861","0.0905","","","","","","1.016","","","","has coordinates","191546","2020-10-21","18:00:00",""
"7227174","11.3119","0.0004","11.6798","0.0006","25.6158","0.001","82.889","0.004","79.959","0.003","62.936","0.004","2963.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Dy N4 O12 Zn -","- C24 H33 Dy N4 O12 Zn -","- C96 H132 Dy4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0373","0.0338","","","0.0825","0.0851","","","","","","1.031","","","","has coordinates,has disorder","191546","2020-10-21","18:00:00",""
"7227175","11.278","0.0004","11.665","0.0005","25.6084","0.0008","82.789","0.003","79.834","0.003","63.148","0.004","2954.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Er N4 O12 Zn -","- C24 H33 Er N4 O12 Zn -","- C96 H132 Er4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","0.71073","MoKα","","0.0313","0.0262","","","0.0536","0.056","","","","","","1.028","","","","has coordinates","191546","2020-10-21","18:00:00",""
"7227176","11.1639","0.0004","11.7254","0.0005","25.6988","0.0008","83.027","0.003","79.709","0.003","62.765","0.004","2939.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Tm Zn -","- C24 H33 N4 O12 Tm Zn -","- C96 H132 N16 O48 Tm4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.036","0.0339","","","0.085","0.0865","","","","","","1.074","","","","has coordinates,has disorder","191546","2020-10-21","18:00:00",""
"7227179","18.5413","0.0003","3.77083","0.00007","18.5858","0.0003","90","","93.6727","0.0017","90","","1296.78","0.04","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0614","0.0505","","","0.1313","0.1382","","","","","","1.091","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227180","7.49441","0.0001","11.0643","0.00014","13.8036","0.00015","90","","92.9142","0.0011","90","","1143.12","0.02","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0549","0.0426","","","0.12","0.1312","","","","","","1.077","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227181","35.2832","0.0009","35.2832","0.0009","5.20165","0.00013","90","","90","","120","","5608","0.2","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H12.33 N2 O1.17 -","- C15 H12 N2 O1.1667 -","- C270 H216 N36 O21.0006 -","18","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","1.54184","CuKα","","0.0506","0.0474","","","0.1566","0.1608","","","","","","1.09","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227182","12.732","0.0002","14.2382","0.0002","21.2459","0.0005","81.567","0.001","73.329","0.001","80.109","0.001","3615.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H59 Cl3 Cu3 N12 O20 -","- C67 H55 Cl3 Cu3 N12 O20 -","- C134 H110 Cl6 Cu6 N24 O40 -","2","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.71073","MoKα","","0.1179","0.0626","","","0.1619","0.1934","","","","","","1.016","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227183","13.1193","0.0005","14.2591","0.0006","14.4095","0.0005","60.4","0.004","86.909","0.003","83.559","0.003","2328.99","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0498","0.0446","","","0.1203","0.1254","","","","","","1.037","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227184","8.3536","0.0003","10.032","0.0004","10.2798","0.0004","87.419","0.004","86.088","0.003","78.661","0.004","842.26","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0266","0.0257","","","0.0655","0.0662","","","","","","1.044","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227185","17.3178","0.0007","19.003","0.0003","25.7513","0.001","90","","136.335","0.007","90","","5851.1","0.8","150","0.2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl2 Cu4 N8 O23 -","- C54 H52 Cl2 Cu4 N8 O23 -","- C216 H208 Cl8 Cu16 N32 O92 -","4","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0372","0.0326","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227186","22.535","0.003","22.535","0.003","29.635","0.006","90","","90","","120","","13033","4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C141 H167 Cu9 N21 O55 -","- C141 H135 Cu9 N21 O55 -","- C423 H405 Cu27 N63 O165 -","3","0.333333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.7293","","","0.0668","0.0654","","","0.1803","0.1829","","","","","","1.059","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227187","23.6201","0.0004","23.6201","0.0004","13.6105","0.0003","90","","90","","120","","6576.1","0.2","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C172 H304 Cu12 N48 O150 -","- C172 H124 Cu12 N36 O48 -","- C172 H124 Cu12 N36 O48 -","1","0.0833333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0361","0.034","","","0.0938","0.0958","","","","","","1.088","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227190","6.87","0.0018","8.309","0.002","22.23","0.006","90","","90","","90","","1269","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","phellandrene anhydride","5-methyl-8-(propan-2-yl)hexahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0568","0.0453","","","0.1109","0.1179","","","","","","1.065","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227191","6.9562","0.0018","8.559","0.002","21.752","0.006","90","","90","","90","","1295.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-methyl-8-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0688","0.0496","","","0.1315","0.1413","","","","","","1.012","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227192","6.53","0.0015","10.411","0.002","12.121","0.003","90","","97.062","0.004","90","","817.8","0.3","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0535","0.0466","","","0.118","0.1233","","","","","","1.026","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227193","14.472","0.003","8.153","0.0017","14.494","0.003","90","","91.73","0.004","90","","1709.4","0.6","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bicyclo[2.2.2]octane-2-endo,3-endo-dicarboxylic acid anhydride","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0697","0.0506","","","0.1247","0.1359","","","","","","1.026","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227194","13.453","0.003","5.8751","0.0012","17.417","0.004","90","","101.5","0.03","90","","1349","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0657","0.0569","","","0.1231","0.1279","","","","","","1.107","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227195","13.622","0.003","5.926","0.0012","17.379","0.004","90","","101","0.03","90","","1377.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0553","0.0389","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227196","13.287","0.003","5.9132","0.0012","18.536","0.004","90","","99.09","0.03","90","","1438.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0597","0.0477","","","0.1109","0.1173","","","","","","1.071","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227197","13.505","0.003","5.9344","0.0012","18.587","0.004","90","","97.49","0.03","90","","1476.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0768","0.0686","","","0.154","0.163","","","","","","1.174","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227198","6.434","0.0013","13.594","0.003","18.649","0.004","72.12","0.03","84.92","0.03","84.41","0.03","1542","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0807","0.0566","","","0.1236","0.1355","","","","","","1.049","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227199","6.4576","0.0013","13.713","0.003","18.624","0.004","72.03","0.03","84.97","0.03","84.93","0.03","1559.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.069","0.0452","","","0.1222","0.1357","","","","","","1.068","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227200","12.8199","0.0009","12.8199","0.0009","32.617","0.004","90","","90","","90","","5360.6","0.8","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C54 H52 B2 Cu F7.97 N4 O4 -","- C54 H52 B2 Cu F7.931 N4 O4 -","- C216 H208 B8 Cu4 F31.724 N16 O16 -","4","0.25","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","x-ray","1.54184","CuKα","","0.1507","0.1033","","","0.2671","0.3199","","","","","","1.086","","","","has coordinates,has disorder","191576","2020-10-21","18:00:00",""
"7227201","11.645","0.005","11.645","0.005","52.7","0.005","90","0.005","90","0.005","90","0.005","7146","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C29 H16 F12 Mn N2 O4 -","- C29 H16 F12 Mn N2 O4 -","- C232 H128 F96 Mn8 N16 O32 -","8","","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","","0.71069","MoKα","","0.1674","0.0604","","","0.1342","0.1807","","","","","","0.885","","","","has coordinates","191576","2020-10-21","18:00:00",""
"7227202","23.729","0.003","24.75","0.003","16.918","0.002","90","","119.249","0.002","90","","8669","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Mo12 N12 O61 Sb2 -","- C30 H44 Mo12 N12 O61 Sb2 -","- C120 H176 Mo48 N48 O244 Sb8 -","4","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.042","0.0356","","","0.1018","0.1056","","","","","","1.049","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227203","11.2428","0.0007","13.9571","0.0009","19.478","0.0013","105.855","0.001","103.033","0.001","103.153","0.001","2724.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H96 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","1","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0777","0.0562","","","0.166","0.1804","","","","","","1.077","","","","has coordinates,has disorder","191548","2020-10-21","18:00:00",""
"7227204","36.2075","0.0012","36.2075","0.0012","36.2075","0.0012","90","","90","","90","","47467","3","296","2","296.15","","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C36 H124 Mo24 N24 O116 Sb4 -","- C36 H12 Mo24 O108 Sb4 -","- C288 H96 Mo192 O864 Sb32 -","8","","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0322","0.0273","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227205","10.3655","0.001","11.8975","0.0012","18.6068","0.0018","76.136","0.002","80.465","0.002","84.056","0.002","2192.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H39 Mo6 N6 O30 Sb -","- C12 H9 Mo6 N6 O34 Sb -","- C24 H18 Mo12 N12 O68 Sb2 -","2","1","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0536","0.0449","","","0.1226","0.1274","","","","","","1.045","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227206","9.3202","0.001","10.5724","0.0012","14.7777","0.0016","88.561","0.002","85.685","0.002","81.729","0.002","1436.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form II","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0865","0.0611","","","0.1497","0.1644","","","","","","1.054","","","","has coordinates","191551","2020-10-21","18:00:00",""
"7227207","10.6675","0.0014","11.6121","0.0015","13.0639","0.0017","72.725","0.002","74.29","0.002","65.743","0.002","1388.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form I","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0788","0.0656","","","0.1671","0.1777","","","","","","1.112","","","","has coordinates","191551","2020-10-21","18:00:00",""
"7227216","4.7532","0.0001","8.1538","0.0002","10.0237","0.0002","113.997","0.001","91.275","0.001","90.003","0.001","354.801","0.014","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","1","1","","Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T.","Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene","CrystEngComm","2017","19","2","346","","10.1039/C6CE02229D","","","0.71073","MoKα","","0.0553","0.0493","","","0.1342","0.1569","","","","","","1.109","","","","has coordinates,has disorder","191547","2020-10-21","18:00:00",""
"7227217","7.2247","0.0005","10.4855","0.0009","10.8336","0.0009","64.61","0.002","85.799","0.003","79.794","0.003","729.69","0.1","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0431","0.0403","","","0.1065","0.1081","","","","","","1.108","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227218","7.1809","0.0005","9.8084","0.0009","10.8511","0.0011","66.647","0.002","84.88","0.003","78.699","0.003","688.01","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0481","0.0446","","","0.1277","0.1317","","","","","","1.103","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227219","7.2808","0.0004","9.8586","0.0008","10.866","0.0008","66.382","0.002","85.05","0.003","78.872","0.003","701.14","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0487","0.0455","","","0.134","0.1375","","","","","","1.097","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227220","7.2244","0.0002","9.7489","0.0003","10.8919","0.0007","66.7372","0.001","85.5145","0.0013","79.0594","0.0012","691.94","0.05","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0429","0.0381","","","0.1082","0.1115","","","","","","1.058","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227221","7.2482","0.0002","10.268","0.0003","10.8587","0.0007","65.3729","0.001","85.6015","0.0012","79.458","0.0012","722.24","0.06","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0555","0.0546","","","0.1462","0.1478","","","","","","1.067","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227231","3.61996","0.00017","12.9546","0.0005","7.0224","0.0004","90","","94.632","0.003","90","","328.24","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C12 H16 N8 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0564","0.0505","","","0.1354","0.1434","","","","","","1.143","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227232","10.76606","0.00019","8.25767","0.00015","17.3938","0.0003","90","","90","","90","","1546.35","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C56 H96 N16 O8 -","4","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0498","0.0484","","","0.1185","0.1198","","","","","","1.104","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227233","3.68405","0.00013","13.8967","0.0004","8.7734","0.0003","90","","101.475","0.002","90","","440.19","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 O4 -","- C6 H4 N6 O4 -","- C12 H8 N12 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0717","0.0658","","","0.1878","0.1943","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227234","7.5718","0.0003","8.46267","0.00018","8.7904","0.0002","102.057","0.0014","102.489","0.0018","101.212","0.0018","520.6","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","1","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0587","0.0496","","","0.1301","0.1469","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227235","10.5475","","20.4313","","6.8444","","90","","109.458","","90","","1390.72","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N8 O8 -","- C32 H22 N8 O8 -","- C64 H44 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0669","0.0525","","","0.1322","0.1461","","","","","","1.106","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227236","9.6805","0.0002","3.52584","0.00008","14.4065","0.0003","90","","106.805","0.0013","90","","470.722","0.018","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H4 N6 Na O4 -","- C6 H6 N6 Na O4 -","- C12 H12 N12 Na2 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0604","0.0577","","","0.1656","0.17","","","","","","1.085","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227237","6.46087","0.00012","5.62884","0.00012","9.37402","0.00017","90","","99.3001","0.0009","90","","336.426","0.011","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N6 O2 -","- C6 H2 N6 O2 -","- C12 H4 N12 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0457","0.0421","","","0.1079","0.1103","","","","","","1.087","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227238","10.0971","","19.4344","","7.5505","","90","","90.629","","90","","1481.55","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12 N8 O8 -","- C36 H12 N8 O8 -","- C72 H24 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0566","0.0521","","","0.1557","0.1605","","","","","","1.1","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227241","23.0687","0.0014","23.0687","0.0014","20.7587","0.0017","90","","90","","120","","9567","1.1","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H15 N3 O15 Zn3 -","- C24 H15 N3 O15 Zn3 -","- C144 H90 N18 O90 Zn18 -","6","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1378","0.1126","","","0.2952","0.3127","","","","","","1.007","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227242","38.569","0.009","38.569","0.009","28.647","0.009","90","","90","","120","","36905","17","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H20 N4 O20 Zn4 -","- C32 H20 N4 O20 Zn4 -","- C576 H360 N72 O360 Zn72 -","18","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1442","0.1307","","","0.4007","0.4265","","","","","","1.053","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227243","6.7854","0.0003","8.2932","0.0003","9.432","0.0003","97.567","0.002","107.241","0.002","97.513","0.002","494.35","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","1","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","","1.54178","CuKα","","0.1374","0.1271","","","0.3802","0.3883","","","","","","1.624","","","","has coordinates","191554","2020-10-21","18:00:00",""
"7227244","8.6573","0.0011","7.1501","0.001","18.754","0.003","90","","96.93","0.009","90","","1152.4","0.3","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C60 H24 F8 N8 -","2","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","x-ray","0.71073","MoKα","","0.0987","0.0399","","","0.0387","0.0433","","","","1.9","1.9","1.45","","","","has coordinates","191554","2020-10-21","18:00:00",""
"7227245","13.1253","0.0002","7.86257","0.00013","11.71964","0.00016","90","","90","","90","","1209.45","0.03","250","0.1","250","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0446","0.0407","","","0.1101","0.1135","","","","","","1.053","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227246","7.8089","0.00018","11.6361","0.0002","12.9991","0.0003","90.0033","0.0017","89.9908","0.0018","90.0086","0.0018","1181.17","0.04","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0246","0.0235","","","0.0577","0.0584","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227247","13.3063","0.0002","8.0603","0.0001","11.7787","0.0001","90","","90","","90","","1263.3","0.03","260","0.1","260","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0265","0.0249","","","0.0658","0.0668","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227248","7.99901","0.00016","11.6844","0.0003","13.2191","0.0002","89.9922","0.0016","90.0224","0.0016","90.0075","0.0017","1235.5","0.04","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0247","0.0239","","","0.0585","0.0591","","","","","","1.038","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227249","7.8457","0.0002","11.6885","0.0002","13.0792","0.0003","90.0075","0.0018","89.998","0.002","90.0165","0.0019","1199.42","0.05","220","0.1","220","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0415","0.0368","","","0.0901","0.094","","","","","","1.029","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227250","8.02169","0.00015","11.7137","0.0002","13.2529","0.0002","89.9946","0.0015","90.0068","0.0015","89.9829","0.0015","1245.29","0.04","200","0.1","200","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0212","0.0205","","","0.0547","0.0552","","","","","","1.066","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227257","3.6632","0.0003","3.6632","0.0003","11.998","0.002","90","","90","","90","","161","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Gd O4 -","- Al Ca Gd O4 -","- Al2 Ca2 Gd2 O8 -","2","0.0625","","Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang","The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties","CrystEngComm","2017","19","3","537","","10.1039/C6CE02411D","","x-ray","0.71073","MoKα","","0.0287","0.0287","","","0.0745","0.0745","","","","1","1","1","","","","has coordinates","191561","2020-10-21","18:00:00",""
"7227258","9.307","0.0003","17.6267","0.0004","10.8072","0.0003","90","","113.592","0.004","90","","1624.75","0.09","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl4 N2 O4 Re -","- C12 H10 Cl4 N2 O4 Re -","- C48 H40 Cl16 N8 O16 Re4 -","4","0.5","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0849","0.0857","","","","","","1.032","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227259","9.8643","0.0002","9.9913","0.0002","12.1357","0.0002","93.364","0.0007","92.3297","0.0007","119.535","0.0006","1035.51","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N8 O4 Re -","- C14 H14 Cl4 N8 O4 Re -","- C28 H28 Cl8 N16 O8 Re2 -","2","1","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","","0.71073","MoKα","","0.0168","0.0167","","","0.0457","0.0458","","","","","","1.006","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227260","6.0614","0.0005","4.9572","0.0004","12.1601","0.001","90","","102.523","0.008","90","","356.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O -","- C7 H7 Br O -","- C14 H14 Br2 O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0623","0.048","","","0.1061","0.1165","","","","","","1.005","","","","has coordinates","191558","2020-10-21","18:00:00",""
"7227261","6.044","0.002","4.9739","0.0012","12.231","0.005","90","","103.69","0.04","90","","357.2","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7.5 H8.5 Br0.5 O -","- C7.5 H8.5 Br0.5 O -","- C15 H17 Br O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.1333","0.0943","","","0.2196","0.2507","","","","","","1.141","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227262","5.9892","0.0006","4.9395","0.0005","12.0858","0.0012","90","","102.59","0.01","90","","348.94","0.06","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 Br0.5 Cl0.5 O -","- C7 H7 Br0.5 Cl0.5 O -","- C14 H14 Br Cl O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0698","0.0512","","","0.1062","0.1232","","","","","","1","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227263","13.7763","0.0012","16.0926","0.0012","17.8036","0.001","82.048","0.005","72.999","0.006","68.508","0.008","3509.9","0.5","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.71073","MoKα","","0.1262","0.0989","","0.1518","0.1254","0.1254","","","","","","1.1368","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227264","10.894","0.003","12.114","0.003","15.8","0.003","85.936","0.01","76.182","0.009","78.08","0.02","1980.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O30 Si8 -","- C77.4 H82.8 O29.35 Si8 -","- C77.4 H82.8 O29.35 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.8729","synchrotron","","0.0804","0.0586","","","0.1621","0.1825","","","","","","1.026","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227265","23.4161","0.0015","37.487","0.002","32.528","0.002","90","","92.683","0.003","90","","28522","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C384 H324 N12 O12 Zn2 -","- C384 H324 N12 O12 Zn2 -","- C1536 H1296 N48 O48 Zn8 -","4","0.5","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.71073","MoKα","","0.1472","0.1076","","","0.2956","0.3372","","","","","","1.041","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227266","12.5655","0.0004","29.3398","0.0006","31.6215","0.0009","65.535","0.002","88.865","0.002","84.862","0.002","10566.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C254 H249 N12 O12 Zn2 -","- C254 H249 N12 O12 Zn2 -","- C508 H498 N24 O24 Zn4 -","2","1","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.7107","MoKα","","0.121","0.0707","","","0.1848","0.2093","","","","","","1.034","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227267","23.33","0.004","37.315","0.006","32.612","0.005","90","","92.835","0.004","90","","28356","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C374 H324 N12 O12 Zn2 -","- C374 H324 N12 O12 Zn2 -","- C1496 H1296 N48 O48 Zn8 -","4","0.5","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.71073","MoKα","","0.1343","0.0629","","","0.1498","0.1852","","","","","","0.988","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227268","4.5613","0.0005","10.2296","0.0011","13.7303","0.0015","80.28","0.003","83.693","0.003","87.814","0.003","627.52","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0313","0.0242","","","0.0416","0.0428","","","","","","1.063","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227269","4.6564","0.0003","12.7812","0.0009","14.2764","0.0009","104.509","0.002","96.086","0.002","97.186","0.002","807.71","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.035","0.0247","","","0.0476","0.0506","","","","","","1.062","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227270","4.5773","0.0003","36.882","0.003","21.7673","0.0014","90","","91.029","0.002","90","","3674.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F8 I4 N6 O3 S -","- C30 H24 F8 I4 N6 O3 S -","- C120 H96 F32 I16 N24 O12 S4 -","4","1","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0755","0.0454","","","0.0643","0.0698","","","","","","1.103","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227284","8.8117","0.0009","7.4263","0.0008","14.7072","0.0016","90","","90","","90","","962.41","0.18","213","1","213","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0846","0.0848","","","","","","1.091","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227285","9.572","0.005","8.414","0.005","11.973","0.006","90","","105.341","0.008","90","","929.9","0.9","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","0.5","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0954","0.0992","","","","","","1.241","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227286","7.2216","0.0007","22.988","0.002","17.6581","0.0019","90","","101.235","0.001","90","","2875.2","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C96 H96 I24 -","12","3","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0663","0.0707","","","","","","1.083","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227287","8.107","0.003","16.238","0.005","14.621","0.005","90","","93.57","0.004","90","","1921","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C64 H64 I16 -","8","2","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.031","0.0267","","","0.0687","0.071","","","","","","1.041","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227288","10.3425","0.0005","13.0194","0.0007","13.2226","0.0005","90","","90","","90","","1780.46","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0405","0.0337","","","0.0841","0.0889","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227289","14.0037","0.0003","18.865","0.0004","9.2913","0.0002","90","","109.592","0.001","90","","2312.46","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","0.5","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0525","0.0411","","","0.1044","0.1176","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227290","7.66","0.0005","14.3344","0.001","21.738","0.0015","87.427","0.003","83.718","0.003","75.715","0.003","2298.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0697","0.0429","","","0.1256","0.1592","","","","","","1.099","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227291","18.1949","0.0008","10.7188","0.0003","12.2321","0.0005","90","","95.895","0.002","90","","2372.98","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 N -","- C34 H23 N -","- C136 H92 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0595","0.0392","","","0.1055","0.141","","","","","","1.121","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227292","20.863","0.003","10.6106","0.0016","11.6041","0.0013","90","","93.835","0.005","90","","2563","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 N -","- C38 H25 N -","- C152 H100 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.1754","0.0566","","","0.1198","0.1877","","","","","","0.993","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227293","15.4053","0.0003","7.6463","0.0002","17.3621","0.0004","90","","100.301","0.001","90","","2012.18","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0713","0.0472","","","0.1014","0.1266","","","","","","1.103","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227294","7.157","0.0014","12.806","0.003","7.856","0.0016","90","","90","","90","","720","0.3","153","2","153","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C6 H4 Mn N4 -","- C6 H4 Mn N4 -","- C24 H16 Mn4 N16 -","4","0.25","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0316","0.0249","","","0.0668","0.0699","","","","","","1.11","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227295","8.363","0.0017","12.827","0.003","12.987","0.003","78.01","0.03","77.5","0.03","71.85","0.03","1277.6","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.14 H20.28 Mn2 N8 O -","- C25.14 H19.85 Mn2 N8 O -","- C50.28 H39.7 Mn4 N16 O2 -","2","1","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0669","0.0536","","","0.1435","0.1549","","","","","","1.067","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227296","17.112","0.0015","16.287","0.0013","9.1823","0.0008","90","","107.089","0.009","90","","2446.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0451","0.0344","","","0.0809","0.0863","","","","","","1.028","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227297","17.1144","0.0014","16.2849","0.0012","9.1786","0.0007","90","","107.107","0.008","90","","2445","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0491","0.0369","","","0.086","0.0935","","","","","","1.019","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227298","19.1","0.007","22.96","0.008","24.338","0.009","90","","90","","90","","10673","7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Er Mn Mo9 N5 O49 -","- C12 H10 Er Mn Mo9 N5 O49 -","- C96 H80 Er8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0645","0.0395","","","0.0955","0.1032","","","","","","1.063","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227299","19.0464","0.0006","22.8077","0.0007","24.2799","0.0007","90","","90","","90","","10547.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Eu Mn Mo9 N5 O49 -","- C12 H10 Eu Mn Mo9 N5 O49 -","- C96 H80 Eu8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0464","0.0325","","","0.0863","0.0913","","","","","","1.082","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227300","10.4141","0.0004","12.6941","0.0005","19.1513","0.0009","72.893","0.001","82.037","0.001","89.305","0.001","2395.32","0.17","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0477","0.0364","","","0.0929","0.0984","","","","","","1.058","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227301","18.9813","0.0011","22.8264","0.0014","24.1927","0.0014","90","","90","","90","","10482.1","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Y -","- C12 H10 Mn Mo9 N5 O49 Y -","- C96 H80 Mn8 Mo72 N40 O392 Y8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0568","0.0364","","","0.0903","0.0964","","","","","","1.068","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227302","10.3698","0.0006","12.6471","0.0008","19.0794","0.0011","73.32","0.001","81.798","0.001","88.775","0.001","2371.9","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0643","0.0476","","","0.1254","0.134","","","","","","1.071","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227303","19.0677","0.0016","22.7335","0.0019","24.228","0.002","90","","90","","90","","10502.2","1.5","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tb -","- C12 H10 Mn Mo9 N5 O49 Tb -","- C96 H80 Mn8 Mo72 N40 O392 Tb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0303","","","0.0819","0.0863","","","","","","1.098","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227304","18.9956","0.0007","22.8143","0.0009","24.1926","0.001","90","","90","","90","","10484.4","0.7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tm -","- C12 H10 Mn Mo9 N5 O49 Tm -","- C96 H80 Mn8 Mo72 N40 O392 Tm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0312","","","0.088","0.0914","","","","","","1.057","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227305","18.9918","0.0008","22.8191","0.001","24.1887","0.0011","90","","90","","90","","10482.8","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Ho Mn Mo9 N5 O49 -","- C12 H10 Ho Mn Mo9 N5 O49 -","- C96 H80 Ho8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0681","0.0416","","","0.1069","0.1239","","","","","","1.088","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227306","10.431","0.0005","12.6785","0.0006","19.1442","0.0009","72.956","0.001","82.02","0.001","89.255","0.001","2396.1","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0422","0.0329","","","0.083","0.0871","","","","","","1.049","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227307","19.0792","0.0009","22.8325","0.001","24.331","0.0011","90","","90","","90","","10599.2","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Sm -","- C12 H10 Mn Mo9 N5 O49 Sm -","- C96 H80 Mn8 Mo72 N40 O392 Sm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0352","0.0274","","","0.0722","0.0757","","","","","","1.091","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227308","18.9941","0.0011","22.8037","0.0014","24.1386","0.0014","90","","90","","90","","10455.3","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Yb -","- C12 H10 Mn Mo9 N5 O49 Yb -","- C96 H80 Mn8 Mo72 N40 O392 Yb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0426","0.0325","","","0.0898","0.0939","","","","","","1.077","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227309","19.0411","0.0009","22.8346","0.0011","24.2724","0.0011","90","","90","","90","","10553.5","0.9","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Gd Mn Mo9 N5 O49 -","- C12 H10 Gd Mn Mo9 N5 O49 -","- C96 H80 Gd8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0554","0.0351","","","0.0819","0.0882","","","","","","1.04","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227310","19.0233","0.0006","22.7722","0.0007","24.1995","0.0007","90","","90","","90","","10483.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Dy Mn Mo9 N5 O49 -","- C12 H10 Dy Mn Mo9 N5 O49 -","- C96 H80 Dy8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0509","0.0351","","","0.1039","0.1159","","","","","","1.083","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227315","17.694","0.003","17.694","0.003","21.24","0.004","90","","90","","120","","5758.9","1.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Y2 -","- C72 H60 N24 O24 Y2 -","- C144 H120 N48 O48 Y4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.1401","0.1039","","","0.2891","0.3213","","","","","","1.009","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227316","17.786","0.003","17.786","0.003","21.419","0.004","90","","90","","120","","5867.9","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 Er2 N24 O24 -","- C72 H60 Er2 N24 O24 -","- C144 H120 Er4 N48 O48 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.067","0.0594","","","0.1996","0.2076","","","","","","1.003","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227317","17.788","0.003","17.788","0.003","21.332","0.004","90","","90","","120","","5845.4","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Tb2 -","- C72 H60 N24 O24 Tb2 -","- C144 H120 N48 O48 Tb4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.0645","0.0605","","","0.1654","0.169","","","","","","1.035","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227324","12.5159","0.001","19.1864","0.0014","9.9596","0.0008","90","","94.649","0.003","90","","2383.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly-[bis-μ~4~-(((adamantane-1,3-diyl)‒di-(phen-4-yl))-di-(carboxylato-κO:κO'))‒bis-N,N-dimethylformamide-κO-dimanganese(II)]","","- C27 H29 Mn N O5 -","- C27 H29 Mn N O5 -","- C108 H116 Mn4 N4 O20 -","4","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.0706","0.0409","","","0.0877","0.1005","","","","","","1.015","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227325","11.0682","0.0004","13.5036","0.0005","14.6691","0.0005","70.055","0.002","79.314","0.002","87.896","0.002","2024.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly-[dimethylammonium μ~6~-(((adamantane-1,3,5-triyl)- -tri(phen-4-yl))-tri-(carboxylato-κ^2^O,O'))- -(N,N-dimethylformamide-κO)-cadmium(II)],solvate with N,N-dimethylformamide and water","","- C36 H44 Cd N2 O9 -","- C37.5 H25 Cd N1.5 O8.5 -","- C75 H50 Cd2 N3 O17 -","2","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.091","0.0713","","","0.2032","0.2217","","","","","","1.073","","","","has coordinates,has disorder","191573","2020-10-21","18:00:00",""
"7227326","17.335","0.003","17.748","0.002","19.551","0.003","90","","90","","90","","6015.1","1.5","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water","","- C38 H28 Mn O8 -","- C38 H28 Mn O8 -","- C152 H112 Mn4 O32 -","4","0.25","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.1334","0.0997","","","0.2883","0.3047","","","","","","0.944","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227331","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","Reversible water uptake by a porous molecular crystal from metal complex of gemini surfactant","CrystEngComm","2017","19","5","802","","10.1039/C6CE02197B","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","191572","2020-10-21","18:00:00",""
"7227332","18.6401","0.0005","18.6401","0.0005","39.748","0.0009","90","","90","","120","","11960.3","0.5","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","ZJU-12","","- C28 H18 Cu2 O12 -","- C28 H14 Cu2 O12 -","- C252 H126 Cu18 O108 -","9","0.25","","Duan, Xing; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A novel methoxy-decorated metal‒organic framework exhibiting high acetylene and carbon dioxide storage capacities","CrystEngComm","2017","19","11","1464","","10.1039/C6CE02291J","","","0.71073","MoKα","","0.05","0.0405","","","0.1199","0.1239","","","","","","1.171","","","","has coordinates","195039","2020-10-21","18:00:00",""
"7227343","12.7248","0.0003","9.5216","0.0002","18.8321","0.0005","90","","90","","90","","2281.71","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(isoquinolinecarboxamide)-1,6-hexane","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C104 H104 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0527","0.0471","","","0.1358","0.1432","","","","","","1.064","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227344","7.5367","0.0003","8.3723","0.0003","19.4198","0.0007","88.709","0.003","82.328","0.003","89.464","0.003","1214.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4b","","- C23 H22 Ag Cl N4 O7 -","- C23 H22 Ag Cl N4 O7 -","- C46 H44 Ag2 Cl2 N8 O14 -","2","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0362","0.0346","","","0.0946","0.0966","","","","","","1.035","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227345","19.2319","0.0008","13.1155","0.0002","9.2503","0.0004","90","","128.558","0.006","90","","1824.56","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(1-isoquinolinecarboxamide)-1,2-ethane","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0467","0.045","","","0.1138","0.1156","","","","","","1.104","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227346","8.2326","0.0001","12.4302","0.0002","9.8859","0.0002","90","","102.96","0.002","90","","985.88","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(isoquinolinecarboxamide)-1,4-buthane","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0366","0.0348","","","0.0992","0.1012","","","","","","1.085","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227347","13.4447","0.0004","8.7623","0.0002","17.9862","0.0005","90","","90","","90","","2118.89","0.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(isoquinolinecarboxamide)-1,5-pentane","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0404","0.0371","","","0.104","0.1078","","","","","","1.074","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227348","9.2783","0.0003","11.1478","0.0004","13.0263","0.0006","100.674","0.003","101.046","0.004","91.916","0.003","1296.18","0.09","175","0.1","175","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","1","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0334","0.0297","","","0.07","0.0732","","","","","","1.038","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227349","7.7056","0.0002","14.8087","0.0003","21.2528","0.0006","90","","117.472","0.004","90","","2151.69","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ag Cl N4 O6 -","- C22 H18 Ag Cl N4 O6 -","- C88 H72 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0355","0.0276","","","0.067","0.071","","","","","","1.03","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227350","22.6498","0.0007","9.4681","0.0003","13.4041","0.0003","90","","92.921","0.003","90","","2870.78","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26 Ag Cl N4 O6 -","- C26 H26 Ag Cl N4 O6 -","- C104 H104 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0539","0.0522","","","0.1434","0.1468","","","","","","1.072","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227351","12.2945","0.0006","18.6277","0.0008","11.5504","0.0006","90","","90","","90","","2645.3","0.2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","1f","","- C27 H28 Ag Cl N4 O6 -","- C27 H28 Ag Cl N4 O6 -","- C108 H112 Ag4 Cl4 N16 O24 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0659","0.062","","","0.1788","0.1849","","","","","","1.08","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227362","9.6638","0.0017","6.6901","0.0011","24.67","0.004","90","","99.732","0.008","90","","1572","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethenzamide-24Dihydroxybenzoic acid","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0729","0.0449","","","0.136","0.1627","","","","","","1.044","","","","has coordinates,has disorder","191570","2020-10-21","18:00:00",""
"7227363","11.1756","0.0012","11.7633","0.0014","12.2009","0.0014","95.319","0.008","102.434","0.007","100.852","0.007","1523.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethenzamide-35Dihydroxybenzoicacid dihydrate","","- C30 H33 N O16 -","- C30 H31 N O16 -","- C60 H62 N2 O32 -","2","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1767","0.0682","","","0.1688","0.2191","","","","","","0.957","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227364","14.9229","0.0008","18.9781","0.0013","21.8605","0.0014","90","","90","","90","","6191.1","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethenzamide-35Dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C256 H272 N16 O96 -","16","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0802","0.0538","","","0.1428","0.1621","","","","","","1.041","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227365","15.539","0.002","7.4265","0.001","31.796","0.004","90","","90","","90","","3669.3","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethenzamide Ferulic acid","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1115","0.0511","","","0.1342","0.1617","","","","","","1.072","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227370","9.45444","0.00013","17.6795","0.0003","14.4839","0.0002","90","","93.4373","0.0013","90","","2416.63","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Glibenclamide","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide","","- C23 H28 Cl N3 O5 S -","- C23 H28 Cl N3 O5 S -","- C92 H112 Cl4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0553","0.0504","","","0.1387","0.1458","","","","","","1.008","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227371","19.5991","0.0016","5.8086","0.0003","23.4722","0.0017","90","","108.746","0.008","90","","2530.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Glibenclamide-sodiumhydrate salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium-hydrate","","- C23 H27 Cl N3 Na O6 S -","- C23 H27 Cl N3 Na O6 S -","- C92 H108 Cl4 N12 Na4 O24 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.1202","0.0844","","","0.2244","0.275","","","","","","1.044","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227372","19.718","0.004","6.1475","0.0011","21.732","0.005","90","","109.25","0.02","90","","2487","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Glibenclamide-ammonium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-ammonium","","- C23 H31 Cl N4 O5 S -","- C23 H31 Cl N4 O5 S -","- C92 H124 Cl4 N16 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.2463","0.0644","","","0.0682","0.0919","","","","","","0.77","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227373","10.9425","0.001","10.1583","0.0007","11.5023","0.0011","90","","91.164","0.009","90","","1278.3","0.19","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C46 H54 Cl2 N6 Na2 O10 S2 -","2","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0867","0.0617","","","0.1366","0.1569","","","","","","1.069","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227374","19.819","0.004","6.2006","0.0009","21.636","0.005","90","","109.69","0.02","90","","2503.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamide-potassium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-potassium","","- C23 H27 Cl K N3 O5 S -","- C23 H27 Cl K N3 O5 S -","- C92 H108 Cl4 K4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1575","0.0832","","","0.2247","0.2568","","","","","","0.984","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227375","19.7594","0.0013","6.1759","0.0003","21.556","0.0015","90","","109.627","0.007","90","","2477.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C92 H108 Cl4 N12 Na4 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1174","0.0834","","","0.2207","0.2495","","","","","","1.041","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227376","6.4396","0.0012","9.0583","0.0018","13.442","0.003","89.677","0.004","85.919","0.004","89.345","0.003","782","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0435","0.036","","","0.0789","0.0816","","","","","","1.07","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227377","6.4157","0.0009","9.0257","0.0013","13.4267","0.0019","89.703","0.003","85.968","0.003","89.342","0.002","775.51","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0427","0.0325","","","0.0667","0.0706","","","","","","1.022","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227378","6.4331","0.0006","9.0449","0.0008","13.4358","0.0012","89.788","0.002","85.905","0.002","89.405","0.002","779.74","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0367","0.0307","","","0.0714","0.0739","","","","","","1.045","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227379","6.3914","0.0005","8.9902","0.0007","13.4028","0.001","89.716","0.002","85.997","0.002","89.332","0.002","768.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0287","0.0248","","","0.0535","0.0549","","","","","","1.018","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227380","6.3769","0.0005","8.9671","0.0007","13.3816","0.001","89.736","0.001","85.988","0.001","89.368","0.001","763.26","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0254","0.021","","","0.0452","0.0467","","","","","","1.046","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227381","6.3612","0.0004","8.9542","0.0005","13.3901","0.0008","89.708","0.001","86.066","0.001","89.343","0.001","760.84","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0238","0.021","","","0.0459","0.0468","","","","","","1.029","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227382","6.5822","0.0004","8.0601","0.0005","13.0454","0.0008","102.873","0.001","91.157","0.001","101.766","0.001","658.97","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0271","0.0236","","","0.0506","0.0519","","","","","","1.056","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227383","6.5746","0.0005","8.0495","0.0006","13.0264","0.0009","102.932","0.001","91.116","0.001","101.825","0.001","656.1","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0266","0.0239","","","0.0617","0.0631","","","","","","0.996","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227384","6.5663","0.0004","8.0384","0.0005","13.0187","0.0008","102.924","0.001","91.179","0.001","101.852","0.001","653.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0236","0.02","","","0.0431","0.0443","","","","","","1.037","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227400","10.5437","0.0003","10.6658","0.0004","11.1228","0.0004","86.656","0.003","71.241","0.003","82.672","0.003","1174.52","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N3 O5 P -","- C24 H30 N3 O5 P -","- C48 H60 N6 O10 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0833","0.0751","","","0.1925","0.2047","","","","","","1.042","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227401","8.9355","0.0003","9.377","0.0003","9.3907","0.0002","93.415","0.002","92.982","0.002","103.905","0.003","760.63","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O6 P -","- C13 H20 N O6 P -","- C26 H40 N2 O12 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0332","0.0318","","","0.087","0.0882","","","","","","1.051","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227402","14.0712","0.0003","7.6213","0.0002","15.6474","0.0004","90","","109.97","0.002","90","","1577.14","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N O7 P -","- C13 H22 N O7 P -","- C52 H88 N4 O28 P4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","1.54184","CuKα","","0.04","0.037","","","0.0985","0.1006","","","","","","1.057","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227403","10.145","0.003","10.145","0.003","31.351","0.011","90","","90","","90","","3226.7","1.8","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0613","0.0548","","","0.1045","0.1077","","","","","","1.087","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227404","13.2233","0.0004","13.8858","0.0006","14.518","0.0009","84.034","0.004","80.465","0.004","80.694","0.003","2586.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H63 F3 N3 O16 P3 S -","- C37 H63 F3 N3 O16 P3 S -","- C74 H126 F6 N6 O32 P6 S2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0719","0.0554","","","0.1399","0.1515","","","","","","1.017","","","","has coordinates,has disorder","193767","2020-10-21","18:00:00",""
"7227405","18.824","0.011","34.1","0.02","16.321","0.011","90","","91.078","0.011","90","","10475","11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 N3 O13 P3 -","- C36 H62 N3 O13 P3 -","- C288 H496 N24 O104 P24 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.1222","0.0912","","","0.2416","0.271","","","","","","1.1","","","","has coordinates,has disorder","193767","2020-10-21","18:00:00",""
"7227406","8.163","0.0008","21.2184","0.0019","11.3124","0.001","90","","102.267","0.009","90","","1914.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O5 P S -","- C15 H28 N O5 P S -","- C60 H112 N4 O20 P4 S4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.1457","0.0881","","","0.1893","0.2271","","","","","","1.04","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227407","11.778","0.003","14.601","0.004","16.488","0.004","90","","103.452","0.004","90","","2757.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N O4.5 P -","- C12 H21 N O4.5 P -","- C96 H168 N8 O36 P8 -","8","2","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0361","0.0323","","","0.0811","0.0837","","","","","","1.085","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227408","8.455","0.0017","13.485","0.003","14.017","0.003","115.54","0.03","95.02","0.03","94.99","0.03","1422.6","0.7","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0429","0.0325","","","0.0755","0.0804","","","","","","1.027","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227409","8.874","0.0018","9.5171","0.0018","11.986","0.002","84.921","0.003","85.114","0.004","74.714","0.004","970.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.1381","0.0845","","","0.2257","0.3312","","","","","","1.171","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227410","38.142","0.008","11.411","0.002","29.647","0.006","90","","129.94","0.03","90","","9893","5","153.15","","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N6 O21 S Zn4 -","- C42 H44 N6 O21 S Zn4 -","- C336 H352 N48 O168 S8 Zn32 -","8","1","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0931","0.073","","","0.2008","0.2215","","","","","","1.061","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227411","7.82","0.004","18.768","0.009","25.836","0.012","80.419","0.016","82.135","0.019","83.58","0.03","3688","3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0961","0.0588","","","0.1467","0.164","","","","","","1.0362","","","","has coordinates,has disorder","193771","2020-10-21","18:00:00",""
"7227412","26.047","0.0011","26.047","0.0011","41.751","0.002","90","","90","","120","","24530.9","1.9","150","2","150","","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C864 H648 Ag36 B30 F120 N144 O36 S72 -","6","","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0983","0.0547","","","0.1432","0.1697","","","","","","1.0586","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227413","7.5797","0.0002","10.6965","0.0003","17.3538","0.0005","103.551","0.001","101.676","0.001","90.482","0.001","1337.2","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0705","0.0492","","","0.1297","0.1424","","","","","","1.068","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227433","18.788","0.004","8.43","0.0017","18.868","0.004","90","","115.53","0.03","90","","2696.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C128 H128 N8 Ni4 O20 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.63","synchrotron","","0.0683","0.0406","","","0.1008","0.1107","","","","","","0.975","","","","has coordinates","190572","2020-10-21","18:00:00",""
"7227434","21.313","0.004","8.508","0.0017","30.83","0.006","90","","94.27","0.03","90","","5574.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N4 Ni2 O10 -","- C64 H64 N4 Ni2 O10 -","- C256 H256 N16 Ni8 O40 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.7","synchrotron","","0.1578","0.0774","","","0.2061","0.25","","","","","","1.01","","","","has coordinates,has disorder","190572","2020-10-21","18:00:00",""
"7227435","18.732","0.004","8.404","0.0017","18.827","0.004","90","","115.03","0.03","90","","2685.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C128 H128 N8 Ni4 O20 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.65","synchrotron","","0.1407","0.0629","","","0.162","0.1917","","","","","","1.076","","","","has coordinates,has disorder","190572","2020-10-21","18:00:00",""
"7227436","13.4938","0.0004","8.7231","0.0003","22.5819","0.0006","90","","95.3654","0.0011","90","","2646.42","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Mn N5 O7 -","- C27 H26 Mn N5 O7 -","- C108 H104 Mn4 N20 O28 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0383","0.0312","","","0.0805","0.0846","","","","","","1.052","","","","has coordinates,has disorder","193759","2020-10-21","18:00:00",""
"7227437","7.4909","0.0002","11.8073","0.0004","24.3162","0.0008","90","","90","","90","","2150.7","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H18 Mn N8 O8 -","- C14 H18 Mn N8 O8 -","- C56 H72 Mn4 N32 O32 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0452","0.0421","","","0.1113","0.1133","","","","","","1.097","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227438","9.1567","0.0004","10.545","0.0005","14.0966","0.0006","90","","97.5786","0.0007","90","","1349.24","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag2 Mn N12 -","- C24 H16 Ag2 Mn N12 -","- C48 H32 Ag4 Mn2 N24 -","2","0.5","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0145","0.0135","","","0.034","0.0344","","","","","","1.058","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227451","5.4625","0.0004","6.5901","0.0006","29.293","0.003","90","","90.889","0.006","90","","1054.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co3 O10 P2 -","- C18 H20 Co3 O10 P2 -","- C36 H40 Co6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.0604","0.0414","","","0.083","0.0897","","","","","","1.04","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227452","5.6315","0.0004","6.7154","0.0005","29.169","0.003","90","","91.174","0.006","90","","1102.88","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mn3 O10 P2 -","- C18 H20 Mn3 O10 P2 -","- C36 H40 Mn6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.1072","0.0885","","","0.1932","0.2018","","","","","","1.083","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227476","16.8878","0.0011","13.8408","0.0013","14.4153","0.0013","90","","109.557","0.002","90","","3175.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H49 B2 Cl3 F4 N10 O4 -","- C73 H49 B2 Cl3 F4 N10 O4 -","- C146 H98 B4 Cl6 F8 N20 O8 -","2","0.5","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1405","0.0761","","","0.1762","0.2059","","","","","","1.039","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227477","14.4266","0.0005","16.319","0.0006","27.6414","0.0011","90","","90","","90","","6507.6","0.4","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C148 H104 Ag2 B6 F16 N20 O9 -","- C148 H96 Ag2 B6 F16 N20 O9 -","- C296 H192 Ag4 B12 F32 N40 O18 -","2","0.25","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1281","0.0635","","","0.1782","0.2147","","","","","","1.054","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227478","9.1444","0.0008","12.27","0.0008","13.4648","0.001","110.287","0.002","95.118","0.003","90.687","0.003","1409.92","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N5 O2 -","- C36 H25 N5 O2 -","- C72 H50 N10 O4 -","2","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1637","0.077","","","0.1371","0.1643","","","","","","1.036","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227479","29.311","0.0013","15.3218","0.0005","18.7508","0.0007","90","","110.666","0.003","90","","7879.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag B2 F6 N5 O2 -","- C36 H24 Ag B2 F6 N5 O2 -","- C288 H192 Ag8 B16 F48 N40 O16 -","8","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.0843","0.0532","","","0.16","0.1822","","","","","","1.042","","","","has coordinates,has disorder","193757","2020-10-21","18:00:00",""
"7227480","16.9698","0.0008","12.9677","0.0007","13.8541","0.0008","90","","108.953","0.002","90","","2883.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B F2 N5 O2 -","- C36 H24 B F2 N5 O2 -","- C144 H96 B4 F8 N20 O8 -","4","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1289","0.0642","","","0.1339","0.1576","","","","","","1.032","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227486","9.5976","0.0005","11.9814","0.0009","21.8713","0.0011","90","","100.945","0.004","90","","2469.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl3 Cu K O9 -","- C16 H34 Cl3 Cu K O9 -","- C64 H136 Cl12 Cu4 K4 O36 -","4","1","","van Well, Natalija; Bolte, Michael; Delley, Bernard; Wolf, Bernd; Lang, Michael; Schefer, Jürg; Rüegg, Christian; Assmus, Wolf; Krellner, Cornelius","Interplay between structure and magnetism in the low-dimensional spin system: K(C8H16O4)2CuCl3·H2O","CrystEngComm","2017","19","7","1028","","10.1039/C6CE02331B","","","0.71073","MoKα","","0.0575","0.0515","","","0.1245","0.1282","","","","","","1.061","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7227487","49.6795","0.0009","49.6795","0.0009","23.7404","0.0008","90","","90","","120","","50743","2","173","2","173","","","","","","","","","7","R -3","-R 3","148","","","","- C24 H45 N12 Ni2 O42 Si W11 -","- C24 H37 N12 Ni2 O40 Si W11 -","- C432 H666 N216 Ni36 O720 Si18 W198 -","18","","","Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min","A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid","CrystEngComm","2017","19","13","1721","","10.1039/C6CE02420C","","","0.71073","MoKα","","0.0531","0.0379","","","0.1015","0.1077","","","","","","1.116","","","","has coordinates,has disorder","195022","2020-10-21","18:00:00",""
"7227513","11.9096","0.001","5.5828","0.0004","17.2361","0.0015","90","","102.291","0.009","90","","1119.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinic acid : Nicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0886","0.0704","","","0.1707","0.179","","","","","","1.138","","","","has coordinates","193766","2020-10-21","18:00:00",""
"7227514","6.9822","0.0004","7.1747","0.0005","12.7208","0.0009","76.298","0.006","83.08","0.005","69.036","0.006","577.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Picolinic acid : Isonicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0718","0.0499","","","0.1145","0.1295","","","","","","1.05","","","","has coordinates","193766","2020-10-21","18:00:00",""
"7227515","26.886","0.003","10.6027","0.0018","16.7359","0.0018","90","","119.293","0.002","90","","4160.8","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","S3","","","- C24 H23 N3 O S -","- C24 H23 N3 O S -","- C192 H184 N24 O8 S8 -","8","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.053","0.0396","","","0.1093","0.1184","","","","","","1.074","","","","has coordinates","193770","2020-10-21","18:00:00",""
"7227516","6.5","0.007","26.53","0.03","12.8","0.013","90","","104.287","0.014","90","","2139","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","22","","- C24 H22 B F2 N3 O S -","- C24 H22 B F2 N3 O S -","- C96 H88 B4 F8 N12 O4 S4 -","4","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.1108","0.0766","","","0.2161","0.2566","","","","","","0.977","","","","has coordinates","193770","2020-10-21","18:00:00",""
"7227517","6.025","0.018","6.025","0.018","26.95","0.08","90","","90","","90","","978","5","173","","173","","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C24 H16 Co4 N24 O16 -","4","","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1173","0.0977","","","0.2787","0.2973","","","","","","1.205","","","","has coordinates","195019","2020-10-21","18:00:00",""
"7227518","8.462","0.008","14.549","0.015","18.799","0.018","90","","90","","90","","2314","4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C48 H32 N48 O32 Zn8 -","8","1","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1007","0.0942","","","0.1976","0.2008","","","","","","1.376","","","","has coordinates,has disorder","195019","2020-10-21","18:00:00",""
"7227533","9.8803","0.0002","24.2747","0.0005","10.4047","0.0002","90","","114.042","0.001","90","","2278.99","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N8 O7 S2 Zn -","- C12 H26 N8 O7 S2 Zn -","- C48 H104 N32 O28 S8 Zn4 -","4","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0413","0.0306","","","0.0841","0.0966","","","","","","1.098","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227534","14.7144","0.0006","7.0324","0.0003","21.4403","0.0008","90","","90","","90","","2218.59","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N6 Ni O S3 -","- C14 H19 N6 Ni O S3 -","- C56 H76 N24 Ni4 O4 S12 -","4","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0943","0.0484","","","0.1373","0.1795","","","","","","1.094","","","","has coordinates,has disorder","193764","2020-10-21","18:00:00",""
"7227535","8.6284","0.0004","10.0416","0.0004","11.2867","0.0005","74.662","0.002","69.52","0.002","89.89","0.002","879.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","1","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0372","0.0342","","","0.0954","0.0989","","","","","","1.049","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227536","9.0012","0.0004","11.2753","0.0004","12.1281","0.0005","94.572","0.002","105.603","0.002","112.913","0.002","1068.14","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Cu N7 O S2 -","- C15 H29 Cu N7 O S2 -","- C30 H58 Cu2 N14 O2 S4 -","2","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0415","0.0308","","","0.0806","0.0966","","","","","","1.146","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227537","9.8527","0.0003","14.1937","0.0004","15.1185","0.0004","113.748","0.001","103.82","0.001","97.895","0.001","1813.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu N6 S2 -","- C12 H22 Cu N6 S2 -","- C48 H88 Cu4 N24 S8 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0625","0.0356","","","0.1001","0.1255","","","","","","1","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227538","8.8078","0.0017","15.696","0.003","16.873","0.004","82.42","0.011","88.292","0.01","79.428","0.01","2273","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 N7 O4 S2 Zn -","- C14 H29 N7 O4 S2 Zn -","- C56 H116 N28 O16 S8 Zn4 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0747","0.0518","","","0.1488","0.1769","","","","","","1.051","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227558","14.2221","0.0006","25.5903","0.001","10.381","0.0004","90","","93.552","0.0011","90","","3770.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 I6 La2 N6 O14 -","- C72 H50 I6 La2 N6 O14 -","- C144 H100 I12 La4 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.076","0.0471","","","0.116","0.1332","","","","","","1.024","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227559","11.1864","0.0009","12.786","0.0007","14.4367","0.0008","68.885","0.001","88.375","0.003","72.644","0.002","1831.3","0.2","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0446","0.0363","","","0.0973","0.1033","","","","","","1.038","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227560","11.198","0.005","13.03","0.005","14.604","0.005","69.314","0.004","89.085","0.003","72.956","0.005","1896.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0345","0.0264","","","0.0597","0.0637","","","","","","1.036","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227561","14.247","0.0011","25.523","0.002","10.3649","0.0008","90","","93.3","0.0009","90","","3762.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C144 H100 Ce4 I12 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0731","0.0441","","","0.0999","0.1151","","","","","","1.032","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227562","10.0196","0.0004","10.467","0.0004","15.3792","0.0006","85.225","0.001","75.107","0.002","75.17","0.001","1506.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0529","0.0395","","","0.0829","0.0886","","","","","","1.061","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227563","11.1925","0.0005","12.7725","0.0005","14.436","0.0006","68.862","0.002","88.312","0.001","72.624","0.001","1829.91","0.14","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0654","0.0449","","","0.0996","0.1092","","","","","","1.041","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227564","11.194","0.003","12.797","0.004","14.456","0.004","68.894","0.003","88.362","0.004","72.638","0.004","1836.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.062","0.0417","","","0.0984","0.1096","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227565","11.1808","0.0005","12.8254","0.0005","14.4618","0.0006","68.892","0.001","88.445","0.0011","72.691","0.0009","1839.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0711","0.0488","","","0.1372","0.1508","","","","","","1.048","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227566","11.2147","0.0005","12.8161","0.0006","14.4733","0.0007","68.947","0.002","88.417","0.001","72.681","0.001","1845.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.054","0.0369","","","0.0763","0.0842","","","","","","1.031","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227567","9.9471","0.0003","10.5094","0.0004","15.3693","0.0005","85.325","0.001","75.351","0.002","74.913","0.001","1500.66","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0728","0.0758","","","","","","1.04","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227568","8.79","0.0013","13.516","0.002","15.488","0.002","103.43","0.003","91.225","0.002","93.761","0.002","1784.6","0.4","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 Lu N3 O7 -","- C36 H25 I3 Lu N3 O7 -","- C72 H50 I6 Lu2 N6 O14 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0318","0.0273","","","0.0611","0.0631","","","","","","1.067","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227569","8.7843","0.0005","13.5206","0.0007","15.4808","0.0008","103.471","0.001","91.197","0.0011","93.745","0.0012","1783","0.17","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Yb -","- C36 H25 I3 N3 O7 Yb -","- C72 H50 I6 N6 O14 Yb2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0404","0.0305","","","0.0731","0.0785","","","","","","1.035","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227570","11.2083","0.0004","12.8703","0.0005","14.5009","0.0006","69.063","0.002","88.615","0.001","72.74","0.001","1857.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0588","0.04","","","0.0786","0.0867","","","","","","1.037","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227571","11.1954","0.0007","12.8463","0.0008","14.4794","0.0008","69.023","0.001","88.579","0.002","72.752","0.001","1849.22","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0581","0.0407","","","0.0849","0.093","","","","","","1.034","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227572","11.2063","0.0003","12.9586","0.0004","14.5704","0.0004","69.231","0.0011","88.87","0.002","72.899","0.001","1882.44","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0364","0.0313","","","0.0751","0.0788","","","","","","1.023","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227573","11.2048","0.0004","12.9132","0.0005","14.5273","0.0006","69.134","0.001","88.722","0.001","72.806","0.002","1868.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.05","0.0366","","","0.0758","0.0822","","","","","","0.977","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227574","11.2063","0.0003","12.7987","0.0004","14.4542","0.0004","68.914","0.001","88.394","0.002","72.64","0.001","1838.85","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.048","0.0359","","","0.0782","0.0837","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227575","11.152","0.0003","12.9748","0.0004","14.5744","0.0004","69.246","0.001","88.95","0.002","73.066","0.001","1877.98","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0498","0.0379","","","0.0917","0.0986","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227576","8.7799","0.0004","13.563","0.0006","15.5082","0.0007","103.533","0.002","91.262","0.001","93.551","0.001","1790.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Y -","- C36 H25 I3 N3 O7 Y -","- C72 H50 I6 N6 O14 Y2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0557","0.0597","","","","","","1.016","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227577","11.1901","0.0006","12.8834","0.0006","14.507","0.0007","69.119","0.002","88.699","0.001","72.84","0.001","1859.1","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0397","0.0351","","","0.0939","0.0984","","","","","","1.033","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227578","11.1784","0.0004","12.8338","0.0005","14.4641","0.0006","68.995","0.002","88.543","0.001","72.722","0.001","1842.08","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0515","0.0408","","","0.1105","0.1182","","","","","","1.028","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227579","9.9154","0.0005","10.4003","0.0005","15.0369","0.0008","85.103","0.001","74.836","0.001","74.496","0.001","1442","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0478","0.0341","","","0.0638","0.0697","","","","","","1.025","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227580","10.0352","0.0004","10.3574","0.0004","15.0822","0.0006","84.858","0.0009","74.15","0.001","75.009","0.0011","1456.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","","0.71073","MoKα","","0.0589","0.04","","","0.079","0.0858","","","","","","1.021","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227581","8.683","0.0013","13.052","0.0019","15.223","0.002","102.793","0.002","93.301","0.002","92.394","0.002","1677","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Yb -","- C36 H25 Br3 N3 O7 Yb -","- C72 H50 Br6 N6 O14 Yb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0289","0.0229","","","0.0508","0.0527","","","","","","1.011","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227582","8.7587","0.0003","13.2478","0.0005","15.3694","0.0006","103.332","0.001","92.802","0.001","92.495","0.0011","1730.47","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tb -","- C36 H25 Br3 N3 O7 Tb -","- C72 H50 Br6 N6 O14 Tb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.048","0.0323","","","0.0646","0.0694","","","","","","1.019","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227583","8.7712","0.0002","13.1735","0.0004","15.3367","0.0004","103.2","0.011","92.67","0.01","92.75","0.01","1720.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tm -","- C36 H25 Br3 N3 O7 Tm -","- C72 H50 Br6 N6 O14 Tm2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0337","0.026","","","0.0633","0.068","","","","","","0.83","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227584","9.9679","0.0004","10.3797","0.0004","15.0584","0.0005","84.989","0.001","74.48","0.001","74.774","0.001","1448.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0509","0.0369","","","0.0728","0.0776","","","","","","1.045","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227585","8.7754","0.0007","13.2024","0.0011","15.3521","0.0013","103.207","0.001","92.728","0.0009","92.688","0.001","1726.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Er N3 O7 -","- C36 H25 Br3 Er N3 O7 -","- C72 H50 Br6 Er2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.06","0.0411","","","0.0934","0.1017","","","","","","1.002","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227586","8.7376","0.0015","13.163","0.002","15.296","0.003","103.274","0.002","92.763","0.002","92.604","0.002","1707.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Ho N3 O7 -","- C36 H25 Br3 Ho N3 O7 -","- C72 H50 Br6 Ho2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0506","","","0.1016","0.1201","","","","","","0.919","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227587","10.974","0.002","12.601","0.002","14.083","0.003","69.087","0.003","88.723","0.003","74.262","0.003","1744.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0621","0.0387","","","0.0769","0.0859","","","","","","0.937","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227588","8.7618","0.0006","13.223","0.0009","15.3537","0.0011","103.268","0.001","92.804","0.0008","92.564","0.001","1726.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Dy N3 O7 -","- C36 H25 Br3 Dy N3 O7 -","- C72 H50 Br6 Dy2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0874","0.0441","","","0.0737","0.0858","","","","","","0.981","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227589","8.7767","0.0004","13.1502","0.0006","15.3202","0.0007","103.146","0.001","92.657","0.001","92.845","0.0011","1716.7","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Lu N3 O7 -","- C36 H25 Br3 Lu N3 O7 -","- C72 H50 Br6 Lu2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0637","0.0389","","","0.0755","0.0848","","","","","","0.949","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227590","13.8199","0.001","25.3181","0.0018","9.9662","0.0007","90","","91.308","0.001","90","","3486.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 Nd2 O14 -","- C72 H50 Br6 N6 Nd2 O14 -","- C144 H100 Br12 N12 Nd4 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0517","0.0321","","","0.062","0.0677","","","","","","0.989","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227591","13.8325","0.0005","25.4757","0.0008","10.2555","0.0003","90","","91.931","0.001","90","","3611.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C144 H100 Br12 N12 O28 Pr4 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0747","0.0422","","","0.0958","0.109","","","","","","1.014","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227592","10.9343","0.0015","12.5436","0.0017","14.0627","0.0019","68.83","0.002","88.536","0.003","74.185","0.002","1724.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0797","0.0486","","","0.0954","0.1061","","","","","","0.982","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227593","25.3124","0.0012","29.7294","0.0014","9.5415","0.0004","90","","90","","90","","7180.2","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C288 H200 Br24 La8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0687","0.0349","","","0.0716","0.0829","","","","","","1.023","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227594","13.809","0.0005","25.6321","0.0009","10.2526","0.0004","90","","92.434","0.001","90","","3625.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C144 H100 Br12 La4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0457","","","0.0995","0.1185","","","","","","1.012","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227595","10.9414","0.0016","12.5871","0.0019","14.092","0.002","68.974","0.003","88.679","0.004","74.21","0.002","1737.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0675","0.0415","","","0.0875","0.0951","","","","","","1.041","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227596","13.8159","0.0004","25.5564","0.0006","10.2526","0.0003","90","","92.18","0.01","90","","3617.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 Ce2 N6 O14 -","- C72 H50 Br6 Ce2 N6 O14 -","- C144 H100 Br12 Ce4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0707","0.0411","","","0.0983","0.1105","","","","","","1.026","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227597","25.242","0.005","29.691","0.006","9.5673","0.0018","90","","90","","90","","7170","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H46 Br6 Ce2 N6 O14 -","- C72 H46 Br6 Ce2 N6 O14 -","- C288 H184 Br24 Ce8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0968","0.0416","","","0.0876","0.1052","","","","","","1.005","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227598","8.778","0.003","13.221","0.004","15.363","0.005","103.208","0.005","92.772","0.006","92.673","0.005","1730.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Y -","- C36 H25 Br3 N3 O7 Y -","- C72 H50 Br6 N6 O14 Y2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0789","0.0406","","","0.0823","0.0946","","","","","","0.963","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227599","8.7578","0.0007","13.2715","0.0011","15.3805","0.0012","103.408","0.0009","92.838","0.001","92.302","0.001","1734.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Gd N3 O7 -","- C36 H25 Br3 Gd N3 O7 -","- C72 H50 Br6 Gd2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0555","0.0368","","","0.0796","0.0873","","","","","","1.009","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227600","25.0965","0.0017","29.647","0.002","9.605","0.0007","90","","90","","90","","7146.5","0.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H47 Br6 N6 Nd2 O14 -","- C72 H47 Br6 N6 Nd2 O14 -","- C288 H188 Br24 N24 Nd8 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0562","0.0364","","","0.0785","0.0858","","","","","","1.118","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227601","25.1741","0.0016","29.6104","0.0019","9.5656","0.0006","90","","90","","90","","7130.3","0.8","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C288 H200 Br24 N24 O56 Pr8 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0651","0.0454","","","0.1125","0.1223","","","","","","1.065","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227602","10.962","0.003","12.556","0.003","14.059","0.004","68.944","0.004","88.62","0.006","74.244","0.005","1732.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.104","0.0543","","","0.0986","0.1187","","","","","","0.968","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227611","4.587","0.003","9.666","0.004","19.148","0.005","90","","91.76","0.02","90","","848.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1164","0.1272","","","","","","1.168","","","","has coordinates","193768","2020-10-21","18:00:00",""
"7227612","4.58","0.002","9.633","0.003","19.017","0.005","90","","91.18","0.02","90","","838.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.0777","0.046","","","0.0981","0.1099","","","","","","1.083","","","","has coordinates","193768","2020-10-21","18:00:00",""
"7227624","8.0895","0.0016","11.829","0.002","18.063","0.004","86.63","0.03","77.32","0.03","77.33","0.03","1645.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N6 O16 P4 Zn3 -","- C22 H25 N6 O16 P4 Zn3 -","- C44 H50 N12 O32 P8 Zn6 -","2","1","","Li, Jin-Hua; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Wang, Guo-Ming; Wang, Zong-Hua; Bao, Zhen-Zhen","Template synthesis and photochromism of a layered zinc diphosphonate","CrystEngComm","2017","19","8","1160","","10.1039/C7CE00212B","","","0.71073","MoKα","","0.056","0.0389","","","0.0749","0.0802","","","","","","1.052","","","","has coordinates","193754","2020-10-21","18:00:00",""
"7227646","16.028","0.005","12.352","0.004","17.52","0.005","90","","104.455","0.019","90","","3358.8","1.8","108","2","108","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bis(trifluormethyl)dimethylfluoranthen","","- C22 H16 F6 -","- C22 H16 F6 -","- C176 H128 F48 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0516","0.0352","","","0.0883","0.1009","","","","","","1.04","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227647","11.817","0.003","21.237","0.004","8.258","0.0016","90","","97.474","0.002","90","","2054.8","0.8","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C96 H56 F48 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71075","MoKα","","","0.0504","","","","0.0599","","","","","","3.246","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227648","30.365","0.011","12.085","0.004","13.365","0.004","90","","90","","90","","4904","3","133","2","133","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C32 H16 F10 -","- C32 H16 F10 -","- C256 H128 F80 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0914","0.0663","","","0.1364","0.1477","","","","","","1.093","","","","has coordinates,has disorder","193769","2020-10-21","18:00:00",""
"7227649","8.943","0.002","9.827","0.002","21.451","0.005","90","","97.064","0.005","90","","1870.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F9 -","- C23 H14 F9 -","- C92 H56 F36 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0538","0.0474","","","0.1089","0.1116","","","","","","1.218","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227650","12.017","0.002","7.1071","0.0014","35.635","0.007","90","","92.848","0.005","90","","3039.7","1","133","2","133","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0596","0.0462","","","0.1194","0.1313","","","","","","1.062","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227651","12.479","0.002","11.3269","0.0019","29.181","0.005","90","","101.941","0.002","90","","4035.4","1.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C192 H112 F96 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71069","MoKα","","0.0585","0.0505","","","0.1387","0.1453","","","","","","1.051","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227652","21.1643","0.0012","11.9365","0.0006","12.8317","0.0008","90","","106.535","0.002","90","","3107.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 -","- C21 H17 F3 -","- C168 H136 F24 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0929","0.0567","","","0.1301","0.146","","","","","","1.018","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227653","7.8051","0.0009","13.136","0.0015","14.1342","0.0015","78.497","0.009","85.326","0.009","85.781","0.01","1412.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","1","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0953","0.0875","","","0.1825","0.1919","","","","","","0.935","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227654","10.988","0.003","3.9173","0.0009","31.538","0.009","90","","99.68","0.02","90","","1338.2","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F2 Hg N3 O -","- C11 H7 Cl2 F2 Hg N3 O -","- C44 H28 Cl8 F8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0965","0.0941","","","0.1497","0.1981","","","","","","0.968","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227655","6.7713","0.0012","12.7185","0.0015","33.489","0.004","90","","90","","90","","2884.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Br2 F2 Hg N3 O -","- C11 H7 Br2 F2 Hg N3 O -","- C88 H56 Br16 F16 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0998","0.0928","","","0.1944","0.1996","","","","","","1.032","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227656","7.4184","0.0004","10.1888","0.0006","18.148","0.0013","90","","91.187","0.004","90","","1371.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O Zn -","- C12 H10 Cl2 N4 O Zn -","- C48 H40 Cl8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0429","0.0384","","","0.0915","0.0934","","","","","","1.046","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7227657","29.767","0.0012","10.3466","0.0004","25.8735","0.001","90","","98.543","0.002","90","","7880.3","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H52 I6 N16 O8 Zn5 -","- C72 H52 I6 N16 O8 Zn5 -","- C288 H208 I24 N64 O32 Zn20 -","4","0.5","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.088","0.0538","","","0.1108","0.1243","","","","","","1.02","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227658","7.6877","0.0014","10.3625","0.0019","18.182","0.003","90","","91.183","0.002","90","","1448.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N4 O Zn -","- C12 H10 Br2 N4 O Zn -","- C48 H40 Br8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0474","0.0377","","","0.0884","0.0931","","","","","","1.078","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227659","9.1458","0.0006","11.706","0.0009","18.2478","0.0012","80.629","0.009","77.512","0.008","88.044","0.009","1881.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 N4 O Zn -","- C18 H14 Br2 N4 O Zn -","- C72 H56 Br8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0477","0.0287","","","0.0579","0.0608","","","","","","0.826","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227660","9.0285","0.0006","11.7143","0.0008","17.5898","0.0011","82.781","0.008","78.436","0.005","88.107","0.008","1808.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C72 H56 Cl8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0374","0.029","","","0.0742","0.0759","","","","","","0.949","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227661","9.2443","0.0018","10.2822","0.0013","14.4976","0.0016","82.264","0.01","86.277","0.013","88.43","0.013","1362.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N10 O9 -","- C24 H22 Cd N10 O9 -","- C48 H44 Cd2 N20 O18 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0883","0.0524","","","0.0708","0.0771","","","","","","1.019","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227662","9.347","0.0014","11.475","0.0012","18.59","0.002","78.554","0.005","76.342","0.006","87.434","0.004","1899","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Cd N4 O -","- C18 H14 Br2 Cd N4 O -","- C72 H56 Br8 Cd4 N16 O4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0366","0.0284","","","0.0566","0.0597","","","","","","1.045","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227667","10.021","0.0003","16.1986","0.0005","18.3286","0.0005","76.43","0.003","87.497","0.002","74.082","0.003","2780.58","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H36 Cl8 O8 S4 -","- C58 H36 Cl8 O8 S4 -","- C116 H72 Cl16 O16 S8 -","2","1","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","0.8","synchrotron","","0.0612","0.054","","","0.1623","0.1724","","","","","","1.034","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227668","5.60869","0.0001","14.7726","0.0004","18.7946","0.0005","75.237","0.002","82.3657","0.0018","88.599","0.0019","1492.4","0.06","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 N4 O8 -","- C38 H22 N4 O8 -","- C38 H22 N4 O8 -","1","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.0819","0.0765","","","0.266","0.2723","","","","","","1.107","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227669","19.4377","0.0015","30.6822","0.0012","9.1127","0.0008","90","","90","","90","","5434.7","0.7","253","","253","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H22 O8 -","- C34 H22 O8 -","- C136 H88 O32 -","4","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.172","0.1026","","","0.3133","0.3439","","","","","","1.36","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227672","19.627","0.002","7.315","0.001","23.51","0.003","90","","114.567","0.008","90","","3069.8","0.7","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O9 -","- C30 H45 N3 O9 -","- C120 H180 N12 O36 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.202","0.0884","","","0.2088","0.2795","","","","","","0.969","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227673","24.6517","0.0013","4.7182","0.0003","25.6558","0.0012","90","","96.827","0.004","90","","2962.9","0.3","100","2","99.99","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H43 N3 O14 -","- C24 H43 N3 O14 -","- C96 H172 N12 O56 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0729","0.0547","","","0.1396","0.1547","","","","","","1.026","","","","has coordinates","195020","2020-10-21","18:00:00",""
"7227674","15.5682","0.0006","15.5682","0.0006","6.8268","0.0003","90","","90","","120","","1432.93","0.1","100","2","99.99","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.166667","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0615","0.0533","","","0.1608","0.1674","","","","","","1.064","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227675","4.9042","0.0002","16.9098","0.0006","17.0515","0.0007","77.472","0.003","87.209","0.004","83.111","0.003","1370.05","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C42 H54 N6 O18 -","2","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0854","0.0581","","","0.1507","0.1651","","","","","","1.045","","","","has coordinates","195020","2020-10-21","18:00:00",""
"7227677","14.214","0.002","9.8017","0.0014","19.392","0.003","90","","95.548","0.004","90","","2689.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C104 H120 Cl8 N16 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.08","0.0499","","","0.1064","0.1149","","","","","","0.934","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227678","12.228","0.003","8.896","0.002","14.798","0.004","90","","113.166","0.006","90","","1479.9","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1389","0.0544","","","0.0865","0.1042","","","","","","0.765","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227679","12.072","0.004","7.01","0.002","17.035","0.005","90","","101.402","0.007","90","","1413.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N2 S -","- C13 H14 Cl2 N2 S -","- C52 H56 Cl8 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1","0.0537","","","0.1075","0.1259","","","","","","1.008","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227680","8.729","0.003","9.683","0.003","10.503","0.004","64.578","0.005","78.685","0.006","63.892","0.006","719.9","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.108","0.0522","","","0.0852","0.0999","","","","","","0.824","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227685","24.6076","0.0013","9.1723","0.0003","19.6702","0.0014","90","","110.211","0.007","90","","4166.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl2 N5 O2 Zn -","- C16 H18 Br Cl2 N5 O2 Zn -","- C128 H144 Br8 Cl16 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0813","0.0436","","","0.0822","0.0979","","","","","","0.994","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227686","24.5875","0.0009","9.1372","0.0003","19.5598","0.0007","90","","109.513","0.002","90","","4141.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N5 O2 Zn -","- C16 H18 Cl3 N5 O2 Zn -","- C128 H144 Cl24 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0991","0.0423","","","0.0948","0.1127","","","","","","1.02","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227687","13.6983","0.0009","15.3878","0.0009","22.9945","0.0015","90","","96.396","0.002","90","","4816.8","0.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 N9 O15 Si Zn3 -","- C43 H36 N9 O15 Si Zn3 -","- C172 H144 N36 O60 Si4 Zn12 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0922","0.0476","","","0.1087","0.1311","","","","","","1.014","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227688","18.64","0.003","22.795","0.004","13.281","0.002","90","","130.484","0.003","90","","4292.1","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O5 Si0.5 -","- C14 H10 Cd O5 Si0.5 -","- C112 H80 Cd8 O40 Si4 -","8","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.03","0.0239","","","0.0514","0.0529","","","","","","0.948","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227689","13.9339","0.0005","21.224","0.0007","16.231","0.0006","90","","100.771","0.001","90","","4715.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Co3 N8 O16 Si -","- C40 H29 Co3 N8 O13 Si -","- C160 H116 Co12 N32 O52 Si4 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0616","0.0428","","","0.1047","0.1143","","","","","","1.08","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227690","9.108","0.0018","25.909","0.005","14.588","0.003","90","","96.69","0.03","90","","3419","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl Cu2 N5 O8 -","- C32 H39 Cl Cu2 N5 O8 -","- C128 H156 Cl4 Cu8 N20 O32 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.62998","synchrotron","","0.0809","0.0645","","","0.1752","0.1878","","","","","","0.969","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227691","9.2442","0.0004","26.9115","0.0013","13.167","0.0007","90","","90.408","0.002","90","","3275.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H32.5 Cl Cu N4 O10 -","- C30.5 H32.5 Cl Cu N4 O10 -","- C122 H130 Cl4 Cu4 N16 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1057","0.0628","","","0.137","0.1583","","","","","","1.026","","","","has coordinates,has disorder","195041","2020-10-21","18:00:00",""
"7227692","6.6863","0.0011","33.34","0.004","11.325","0.0019","90","","107.156","0.005","90","","2412.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl Cu N3 O10 -","- C20 H20 Cl Cu N3 O10 -","- C80 H80 Cl4 Cu4 N12 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1387","0.0632","","","0.1388","0.1696","","","","","","1.009","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227693","8.7638","0.0007","9.0088","0.0007","13.4894","0.0011","90.103","0.002","106.079","0.002","107.018","0.002","974.55","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0585","0.0438","","","0.1068","0.1143","","","","","","1.048","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227694","8.654","0.003","9.112","0.003","13.738","0.004","89.225","0.005","75.034","0.005","73.2","0.005","999.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1437","0.0783","","","0.1838","0.2199","","","","","","0.969","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227695","8.7754","0.001","9.0556","0.0011","13.2444","0.0016","91.068","0.002","105.733","0.002","108.766","0.002","952.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.06","0.0465","","","0.1149","0.1227","","","","","","1.036","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227696","8.7951","0.0013","9.1673","0.0013","13.4002","0.0018","92.358","0.012","104.633","0.012","109.317","0.011","977.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71069","MoKα","","0.0433","0.0314","","","0.0768","0.0811","","","","","","1.02","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227697","8.8205","0.0008","9.0902","0.0008","13.6352","0.0013","90.168","0.002","104.444","0.002","107.949","0.002","1003.4","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0805","0.0664","","","0.1705","0.1809","","","","","","1.046","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227698","8.8175","0.0012","9.1617","0.0012","13.8108","0.0018","90.54","0.002","103.988","0.002","109.55","0.001","1015.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.05","0.0373","","","0.0839","0.0911","","","","","","1.027","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227699","8.77","0.0012","9.211","0.0012","13.5822","0.0019","89.993","0.003","75.599","0.003","71.823","0.003","1006.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1001","0.0599","","","0.1526","0.1787","","","","","","1.059","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227700","8.7623","0.0009","9.125","0.001","13.4315","0.0014","90.012","0.002","106.064","0.002","107.409","0.002","980.68","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0603","0.041","","","0.1039","0.1132","","","","","","1.052","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227703","7.3859","0.0005","15.9445","0.0012","8.7003","0.0006","90","","90","","90","","1024.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B16 Gd7.5 O48 Sr12 Yb0.5 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","1","0.125","","Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin","A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4","CrystEngComm","2017","19","12","1620","","10.1039/C7CE00025A","","","0.71073","MoKα","","0.0476","0.0434","","","0.112","0.116","","","","","","1.096","","","","has coordinates,has disorder","195045","2020-10-21","18:00:00",""
"7227711","26.744","0.004","26.744","0.004","4.997","0.0001","90","","90","","120","","3095.2","0.7","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 Br N O4.33 -","- C24 H20 Br N O4.3333 -","- C144 H120 Br6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1208","0.0691","","","0.1693","0.2006","","","","","","1.065","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227712","4.92","0.001","13.034","0.003","36.789","0.007","90","","90","","90","","2359.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F N O5 S -","- C26 H26 F N O5 S -","- C104 H104 F4 N4 O20 S4 -","4","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.8","Synchrotron","","0.1448","0.115","","","0.2979","0.3191","","","","","","1.081","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227713","13.168","0.003","4.839","0.001","17.4","0.004","90","","111.41","0.03","90","","1032.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O4 -","- C24 H20 Cl N O4 -","- C48 H40 Cl2 N2 O8 -","2","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1171","0.0665","","","0.1645","0.1977","","","","","","1.016","","","","has coordinates","195037","2020-10-21","18:00:00",""
"7227714","26.878","0.004","26.878","0.004","4.999","0.001","90","","90","","120","","3127.6","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 I N O4.33 -","- C24 H20 I N O4.3333 -","- C144 H120 I6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1424","0.0733","","","0.1554","0.1896","","","","","","1.014","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227715","20.187","0.003","10.5943","0.0015","24.296","0.004","90","","90","","90","","5196.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H52 Mn3 N5 O20 -","- C56 H52 Mn3 N5 O20 -","- C224 H208 Mn12 N20 O80 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.043","0.0319","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227716","8.8593","0.0012","9.9579","0.0015","14.811","0.003","103.45","0.007","97.543","0.005","90.896","0.007","1258.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Mn N3 O8 -","- C26 H17 Mn N3 O8 -","- C52 H34 Mn2 N6 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0755","0.0665","","","0.1913","0.2003","","","","","","1.058","","","","has coordinates,has disorder","195044","2020-10-21","18:00:00",""
"7227717","10.7524","0.0005","14.4645","0.0005","15.5968","0.0005","90","","100.955","0.003","90","","2381.54","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Mn N3 O6 -","- C28 H19 Mn N3 O6 -","- C112 H76 Mn4 N12 O24 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0692","0.0494","","","0.1014","0.1201","","","","","","1.099","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227718","10.088","0.003","10.16","0.003","13.027","0.004","97.791","0.002","106.85","0.003","114.222","0.003","1114.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mn N2 O8 -","- C22 H21 Mn N2 O8 -","- C44 H42 Mn2 N4 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0363","0.0341","","","0.099","0.1004","","","","","","1.073","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227719","9.7818","0.0007","12.9471","0.0006","13.4939","0.0009","90","","105.008","0.004","90","","1650.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Mn N2 O5 -","- C21 H13 Mn N2 O5 -","- C84 H52 Mn4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0451","0.0369","","","0.0904","0.093","","","","","","1.059","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227720","7.7079","0.0001","7.7079","0.0001","9.4483","0.0003","90","","90","","120","","486.135","0.018","298","","298","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Cl Li N3 O3 -","- C3 H3 Cl Li N3 O3 -","- C9 H9 Cl3 Li3 N9 O9 -","3","0.166667","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.0725","15.8185","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227721","7.6807","0.0001","7.6807","0.0001","6.3662","0.0001","90","","90","","120","","325.246","0.008","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3 H3 Cl N3 Na O3 -","- C3 H3 Cl N3 Na O3 -","- C6 H6 Cl2 N6 Na2 O6 -","2","0.0833333","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.043","9.36586","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227724","31.687","0.002","10.9573","0.0005","27.1488","0.0015","90","","115.982","0.006","90","","8473.5","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H60 Co5 N12 O38 -","- C82 H58 Co5 N12 O38 -","- C328 H232 Co20 N48 O152 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1172","0.0644","","","0.1332","0.165","","","","","","0.987","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227725","13.6157","0.0013","19.5109","0.0019","8.7982","0.0009","90","","96.577","0.001","90","","2321.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8 -","- C24 H14 Co N4 O8 -","- C96 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0333","0.03","","","0.0797","0.0821","","","","","","1.035","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227726","17.4893","0.0016","12.6182","0.0011","24.895","0.0018","90","","90","","90","","5493.9","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 Co N6 O8.5 -","- C28 H20 Co N6 O8.5 -","- C224 H160 Co8 N48 O68 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1088","0.0608","","","0.1048","0.125","","","","","","1.05","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227727","14.129","0.003","11.967","0.002","17.318","0.004","90","","107.944","0.002","90","","2785.7","1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H18 Co N6 O9 -","- C26 H16 Co N6 O9 -","- C104 H64 Co4 N24 O36 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0925","0.067","","","0.2091","0.2321","","","","","","1.052","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227728","13.3233","0.0004","23.3778","0.0008","8.8535","0.0003","90","","93.832","0.003","90","","2751.43","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Co N5 O8 -","- C29 H18 Co N5 O8 -","- C116 H72 Co4 N20 O32 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0935","0.059","","","0.1272","0.147","","","","","","1.024","","","","has coordinates,has disorder","195027","2020-10-21","18:00:00",""
"7227732","13.51","0.005","14.382","0.005","18.388","0.007","90","","92.036","0.006","90","","3571","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cu5 Ho2 N10 O28 -","- C54 H74 Cu5 Ho2 N10 O28 -","- C108 H148 Cu10 Ho4 N20 O56 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0585","0.0379","","","0.0856","0.0964","","","","","","1.056","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227733","9.5585","0.0019","14.859","0.003","14.869","0.003","63.43","0.03","71.39","0.03","84.76","0.03","1786.7","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0387","0.0333","","","0.0813","0.0833","","","","","","0.9553","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227734","12.835","0.003","16.082","0.003","18.97","0.004","90","","105.8","0.03","90","","3767.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Dy2 N6 O34 -","- C58 H96 Cu5 Dy2 N6 O34 -","- C116 H192 Cu10 Dy4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0672","0.0513","","","0.1114","0.124","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227735","9.5555","0.0019","14.872","0.003","14.873","0.003","63.49","0.03","84.78","0.03","71.57","0.03","1791.2","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.039","0.0335","","","0.0915","0.1049","","","","","","1.0134","","","","has coordinates,has disorder","195021","2020-10-21","18:00:00",""
"7227736","12.795","0.003","16.128","0.003","19.041","0.004","90","","105.99","0.03","90","","3777.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Tb2 -","- C58 H96 Cu5 N6 O34 Tb2 -","- C116 H192 Cu10 N12 O68 Tb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0683","0.0606","","","0.1606","0.1701","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227737","12.8616","0.0003","16.2208","0.0004","18.8147","0.0005","90","","104.605","0.003","90","","3798.39","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Cu5 N6 O30 Tm2 -","- C50 H74 Cu5 N6 O30 Tm2 -","- C100 H148 Cu10 N12 O60 Tm4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.081","0.0465","","","0.1125","0.129","","","","","","1.044","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227738","12.813","0.003","16.135","0.003","19.072","0.004","90","","105.84","0.03","90","","3793.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Gd2 N6 O34 -","- C58 H96 Cu5 Gd2 N6 O34 -","- C116 H192 Cu10 Gd4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0563","0.0416","","","0.0903","0.1001","","","","","","1.041","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227739","12.964","0.005","16.269","0.006","19.079","0.007","90","","105.362","0.006","90","","3880","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Yb2 -","- C58 H96 Cu5 N6 O34 Yb2 -","- C116 H192 Cu10 N12 O68 Yb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.053","0.0364","","","0.0873","0.1023","","","","","","1.153","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227740","10.0009","0.0005","10.7218","0.0005","21.5824","0.0011","81.629","0.003","81.306","0.003","73.137","0.003","2176.58","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H64 N4 O6 -","- C44 H64 N4 O6 -","- C88 H128 N8 O12 -","2","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1297","0.0704","","","0.2011","0.2377","","","","","","1.037","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227741","18.536","0.0013","33.68","0.003","16.0933","0.0011","90","","113.747","0.004","90","","9196.3","1.2","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C88 H90 O17 -","- C88 H90 O17 -","- C352 H360 O68 -","4","0.5","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2162","0.1648","","","0.4357","0.4633","","","","","","1.481","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227742","17.286","0.003","18.154","0.003","18.412","0.003","114.488","0.009","93.801","0.009","116.859","0.009","4456.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 O6 S2 -","- C32 H36 O6 S2 -","- C192 H216 O36 S12 -","6","3","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2972","0.1415","","","0.3582","0.4586","","","","","","1.114","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227743","47.845","0.009","10.2532","0.0012","19.755","0.004","90","","102.025","0.011","90","","9478","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H70 N4 O7 S -","- C46 H70 N4 O7 S -","- C368 H560 N32 O56 S8 -","8","2","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1799","0.0795","","","0.1958","0.2472","","","","","","0.961","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227744","11.0733","0.0007","6.1594","0.0003","15.85","0.0012","90","","110.183","0.002","90","","1014.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-2Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0456","0.0355","","","0.1034","0.1258","","","","","","1.157","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227745","20.407","0.004","7.2998","0.0014","6.2","0.0011","90","","97.773","0.006","90","","915.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(5-phenylfuran-2-yl)benzene","","- C26 H18 O2 -","- C26 H18 O2 -","- C52 H36 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0863","0.0567","","","0.1454","0.1719","","","","","","1.189","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227746","13.2404","0.0006","5.4901","0.0002","15.3541","0.0007","90","","90.015","0.002","90","","1116.11","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5,3',5'-4Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0662","0.0494","","","0.1383","0.1815","","","","","","1.233","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227747","39.169","0.008","7.5511","0.0015","16.702","0.003","90","","95.27","0.03","90","","4919.1","1.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","2,5-Bis(17alpha-ethynyl-5delta-androst-2-en-17beta-ol)-4-nitroaniline","","- C48 H62 N2 O4 -","- C48 H62 N2 O4 -","- C192 H248 N8 O16 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.1544","0.0873","","","0.2242","0.2703","","","","","","1.012","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227748","11.8249","0.0002","13.9462","0.0003","26.1937","0.0005","90","","90","","90","","4319.67","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","2,5-Bis(17alpha-ethynyl-estra-1,3,5-(10)-trien-17beta-ol-3-methyl ether)-4-nitroaniline","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.0843","0.0547","","","0.1386","0.1544","","","","","","1.03","","","","has coordinates","195026","2020-10-21","18:00:00",""
"7227749","13.3831","0.0012","10.0721","0.0008","11.1876","0.0011","90","","90.401","0.009","90","","1508","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Hg N2 S2 -","- C10 H8 Br2 Hg N2 S2 -","- C40 H32 Br8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0866","0.0898","","","","","","1.028","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227750","12.9022","0.001","9.8132","0.0011","11.2707","0.0008","90","","93.389","0.007","90","","1424.5","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Hg N2 S2 -","- C10 H8 Cl2 Hg N2 S2 -","- C40 H32 Cl8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0205","0.0178","","","0.0357","0.0361","","","","","","0.883","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227751","13.9527","0.0011","10.2881","0.0008","10.9667","0.0009","90","","94.445","0.009","90","","1569.5","0.2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Hg I2 N2 S2 -","- C10 H8 Hg I2 N2 S2 -","- C40 H32 Hg4 I8 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0197","0.0177","","","0.0409","0.0414","","","","","","1.035","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227752","9.7948","0.0005","10.1059","0.0005","22.8628","0.0011","90","","101.365","0.001","90","","2218.71","0.19","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0479","0.0412","","","0.1074","0.1115","","","","","","1.07","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227753","9.8352","0.0005","10.4074","0.0005","22.6698","0.0011","90","","101.884","0.001","90","","2270.72","0.19","350.15","","350.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0598","0.0449","","","0.114","0.1239","","","","","","1.071","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227754","9.7701","0.0013","10.0137","0.0013","22.834","0.003","90","","101.106","0.004","90","","2192.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0694","0.0598","","","0.1527","0.1603","","","","","","1.058","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227755","9.8143","0.0004","10.2937","0.0004","22.7516","0.0008","90","","101.785","0.001","90","","2250.04","0.15","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0519","0.0436","","","0.1134","0.1184","","","","","","1.044","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227756","9.808","0.0003","10.2049","0.0004","22.817","0.0008","90","","101.631","0.001","90","","2236.85","0.14","250.15","","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0431","0.0372","","","0.097","0.101","","","","","","1.041","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227757","10.8035","0.0006","11.0281","0.0006","16.5111","0.0008","83.101","0.004","78.246","0.004","86.292","0.004","1910.34","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C52 H40 Cl4 N4 O38 Pb8 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0639","0.0434","","","0.0682","0.076","","","","","","1.001","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227758","33.4445","0.0016","10.358","0.0005","7.975","0.0003","90","","101.332","0.004","90","","2708.8","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl N O5 Pb S -","- C11 H9 Cl N O5 Pb S -","- C88 H72 Cl8 N8 O40 Pb8 S8 -","8","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0768","0.0621","","","0.1739","0.1876","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227759","7.1884","0.0005","10.6571","0.0007","12.4644","0.0008","92.225","0.005","91.08","0.006","109.457","0.006","899.14","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 O9 Pb2 S2 -","- C12 H8 Cl2 O9 Pb2 S2 -","- C24 H16 Cl4 O18 Pb4 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0567","0.04","","","0.0724","0.0783","","","","","","1.003","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227760","7.5895","0.0004","13.3371","0.0006","16.5241","0.0006","90","","92.337","0.004","90","","1671.21","0.13","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C64 H44 Cl4 N8 O16 Pb4 S4 -","2","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0615","0.0436","","","0.0873","0.0964","","","","","","1.043","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227761","7.712","0.0003","9.8706","0.0005","17.3297","0.0008","90","","95.495","0.004","90","","1313.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl O10 Pb S2 -","- C6 H9 Cl O10 Pb S2 -","- C24 H36 Cl4 O40 Pb4 S8 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0624","0.0465","","","0.0947","0.1032","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227762","9.9814","0.0005","14.3511","0.0008","14.5242","0.0008","70.188","0.005","83.453","0.005","87.315","0.005","1944.52","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C48 H52 Cl4 N4 O42 Pb6 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0731","0.0485","","","0.0984","0.11","","","","","","1.025","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227763","9.3621","0.0006","9.7551","0.0005","10.9477","0.0008","80.577","0.005","69.059","0.006","88.515","0.005","920.62","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","1","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0518","0.0393","","","0.0616","0.0662","","","","","","1.005","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227764","8.5537","0.001","9.2608","0.0015","13.8202","0.0014","99.041","0.011","102.3","0.009","108.323","0.012","985.3","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Cl N2 O9 Pb S2 -","- C16 H15 Cl N2 O9 Pb S2 -","- C32 H30 Cl2 N4 O18 Pb2 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0702","0.0555","","","0.1197","0.1302","","","","","","1.04","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227795","9.4916","0.0003","22.4131","0.0007","10.1084","0.0003","90","","102.5","0.001","90","","2099.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Tb2 -","- C14 H11 N3 O17 Tb2 -","- C56 H44 N12 O68 Tb8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0247","0.0195","","","0.0424","0.0441","","","","","","1.048","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227796","9.428","0.0019","22.415","0.005","10.051","0.002","90","","102.12","0.03","90","","2076.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Dy2 N3 O17 -","- C14 H15 Dy2 N3 O17 -","- C56 H60 Dy8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0248","0.023","","","0.0516","0.0525","","","","","","1.038","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227797","9.574","0.0019","22.547","0.005","10.122","0.002","90","","102.04","0.03","90","","2136.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Eu2 N3 O17 -","- C14 H15 Eu2 N3 O17 -","- C56 H60 Eu8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0331","0.0293","","","0.0736","0.0754","","","","","","1.014","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227798","9.59","0.0019","22.621","0.005","10.129","0.002","90","","101.61","0.03","90","","2152.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.75 N3 O17 Sm2 -","- C14 H11 N3 O16.87 Sm2 -","- C56 H44 N12 O67.48 Sm8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.025","0.0243","","","0.0563","0.0568","","","","","","1.042","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227799","9.5261","0.0007","22.4729","0.0016","10.1216","0.0007","90","","102.263","0.002","90","","2117.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Gd2 N3 O17 -","- C14 H15 Gd2 N3 O17 -","- C56 H60 Gd8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.031","0.022","","","0.0401","0.0427","","","","","","1.039","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227800","7.1614","0.0008","19.471","0.002","8.7123","0.0009","90","","92.426","0.002","90","","1213.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 La N3 O7 -","- C11 H5 La N3 O7 -","- C44 H20 La4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0261","","","0.0487","0.0497","","","","","","1.67","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227801","9.612","0.0019","22.868","0.005","10.159","0.002","90","","101.07","0.03","90","","2191.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Pr2 -","- C14 H15 N3 O17 Pr2 -","- C56 H60 N12 O68 Pr8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0206","0.0205","","","0.0554","0.0554","","","","","","1.15","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227802","9.594","0.0019","22.789","0.005","10.146","0.002","90","","101.32","0.03","90","","2175.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 Nd2 O17 -","- C14 H15 N3 Nd2 O17 -","- C56 H60 N12 Nd8 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.02","0.0187","","","0.0479","0.0486","","","","","","1.041","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227803","7.086","0.0014","19.48","0.004","8.677","0.0017","90","","92.55","0.03","90","","1196.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Ce N3 O7 -","- C11 H7 Ce N3 O7 -","- C44 H28 Ce4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.7","synchrotron","","0.0303","0.028","","","0.076","0.078","","","","","","1.053","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227804","9.4056","0.0006","22.3152","0.0015","10.082","0.0007","90","","102.96","0.002","90","","2062.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Er2 N3 O17 -","- C14 H11 Er2 N3 O17 -","- C56 H44 Er8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0238","","","0.0507","0.0537","","","","","","1.056","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227805","9.4299","0.0003","22.3272","0.0008","10.0874","0.0004","90","","102.817","0.001","90","","2070.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Ho2 N3 O17 -","- C14 H11 Ho2 N3 O17 -","- C56 H44 Ho8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0269","0.0209","","","0.0413","0.043","","","","","","1.057","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227806","7.5408","0.0003","11.7049","0.0005","15.9042","0.0006","90.095","0.002","102.741","0.002","106.596","0.002","1309.03","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N4 O20 Zr -","- C16 H32 N4 O20 Zr -","- C32 H64 N8 O40 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.035","0.0331","","0.0383","0.0356","0.0351","","","","","","1.1011","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227807","7.0194","0.0004","17.8877","0.001","13.4593","0.0008","90","","90.3052","0.0016","90","","1689.94","0.17","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H32 N8 O18 Zr -","- C28 H32 N8 O18 Zr -","- C56 H64 N16 O36 Zr2 -","2","0.5","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.02","0.0198","","0.0206","0.0202","0.0201","","","","","","1.063","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227808","15.078","0.005","20.979","0.005","8.776","0.005","90","","98.917","0.005","90","","2742.5","1.9","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O20 Zr -","- C20 H28 N4 O20 Zr -","- C80 H112 N16 O80 Zr4 -","4","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0842","0.0397","","0.0624","0.0315","0.0295","","","","","","1.1223","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227809","10.077","0.009","10.81","0.01","11.116","0.011","78.14","0.03","89.23","0.05","86.71","0.03","1183.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 N8 O18 S2 Zr -","- C10 H20 N8 O18 S2 Zr -","- C20 H40 N16 O36 S4 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0566","0.0488","","0.0469","0.0409","0.0402","","","","","","0.8618","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227812","6.7868","0.0014","20.823","0.004","7.4953","0.0015","90","","90","","90","","1059.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H14 Cd Cl3 N -","- C6 H14 Cd Cl3 N -","- C24 H56 Cd4 Cl12 N4 -","4","1","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.0536","0.0476","","","0.0909","0.0932","","","","","","1.056","","","","has coordinates","195036","2020-10-21","18:00:00",""
"7227813","6.779","0.006","7.648","0.006","20.8582","0.0017","90","","90","","90","","1081.4","1.3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cd2 Cl6 N2 -","- C12 H28 Cd2 Cl6 N2 -","- C24 H56 Cd4 Cl12 N4 -","2","0.25","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.1718","0.1328","","","0.1772","0.1945","","","","","","1.319","","","","has coordinates,has disorder","195036","2020-10-21","18:00:00",""
"7227814","14.6554","0.0005","6.00711","0.00018","17.9996","0.0005","90","","90.1994","0.0014","90","","1584.61","0.08","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","","0.0762","","","","0.2408","","","","","","1.606","","","","has coordinates","195031","2020-10-21","18:00:00",""
"7227815","4.70709","0.00016","26.1213","0.0012","12.1528","0.0005","90","","93.267","0.003","90","","1491.82","0.11","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","0.0667","0.0567","","","0.1651","0.1793","","","","","","1.096","","","","has coordinates","195031","2020-10-21","18:00:00",""
"7227816","9.3812","0.0002","12.9376","0.0003","18.1801","0.0004","90","","90","","90","","2206.52","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H19 Cu2 N9 O9 -","- C15 H19 Cu2 N9 O9 -","- C60 H76 Cu8 N36 O36 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.1005","0.0718","","","0.2031","0.2334","","","","","","1.16","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227817","7.1767","0.0003","7.3661","0.0004","12.3418","0.0007","90","","90","","90","","652.44","0.06","150","2","150","2","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C H7 Cu N3 O5 -","- C H7 Cu N3 O5 -","- C4 H28 Cu4 N12 O20 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0734","0.0496","","","0.1366","0.1872","","","","","","1.205","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227818","7.4087","0.0006","7.8568","0.0007","12.3745","0.001","90","","90","","90","","720.3","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H7 Cl Cu N2 O6 -","- C H7 Cl Cu N2 O6 -","- C4 H28 Cl4 Cu4 N8 O24 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0969","0.0534","","","0.1266","0.214","","","","","","1.177","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227819","12.5284","0.0006","6.3807","0.0002","20.8145","0.0008","90","","105.488","0.004","90","","1603.49","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N2 Na O5 -","- C12 H12 Cl2 N2 Na O5 -","- C48 H48 Cl8 N8 Na4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","0.0741","0.0676","","","0.1792","0.1884","","","","","","1.091","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227820","7.8772","0.0008","7.9735","0.0008","10.4011","0.0008","94.304","0.007","106.276","0.008","109.851","0.009","579.26","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0321","","","","0.0912","","","","","","1.079","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227821","6.108","0.0003","10.6399","0.0005","12.546","0.0007","109.248","0.004","92.148","0.004","90.445","0.004","769.05","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cs N2 O4 -","- C12 H10 Cl2 Cs N2 O4 -","- C24 H20 Cl4 Cs2 N4 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.047","0.0432","","","0.1111","0.1153","","","","","","1.071","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227822","13.2615","0.0003","18.7662","0.0003","16.7948","0.0002","90","","90","","90","","4179.69","0.13","293","2","293","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C32 Cl8 Cs4 N8 O9 -","- C32 Cl8 Cs4 N8 O9 -","- C128 Cl32 Cs16 N32 O36 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0517","0.0506","","","0.1296","0.1314","","","","","","1.018","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227823","16.044","0.005","16.044","0.005","3.555","0.005","90","0.005","90","0.005","120","0.005","792.5","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 3 1 m","P 3 -2","157","","","","- C8 H2 Cl2 K N2 O3 -","- C8 H2 Cl2 K N2 O3 -","- C24 H6 Cl6 K3 N6 O9 -","3","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0624","0.0608","","","0.165","0.1671","","","","","","1.126","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227824","7.975","0.0012","8.0294","0.0013","10.4361","0.0014","94.183","0.012","106.05","0.013","110.302","0.014","591.66","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0581","","","","0.1705","","","","","","1.068","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227825","20.039","0.003","17.152","0.003","14.09","0.003","90","","99.843","0.008","90","","4771.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Mo7 N8 O39 -","- C20 H28 Mo7 N8 O39 -","- C80 H112 Mo28 N32 O156 -","4","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.1319","0.0884","","","0.2303","0.2691","","","","","","1.112","","","","has coordinates,has disorder","196388","2020-10-21","18:00:00",""
"7227826","11.3855","0.0009","11.3943","0.0009","16.1815","0.0012","77.32","0.003","73.592","0.003","64.011","0.003","1798.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H42 Mo7 N3 O33.5 -","- C8 H18 Mo7 N3 O33.5 -","- C16 H36 Mo14 N6 O67 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0873","0.0793","","","0.2066","0.2117","","","","","","1.176","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227827","29.144","0.0011","29.144","0.0012","12.032","0.0004","90","","90","","120","","8850.5","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H46 Mo8 N2 O28 -","- C16 H46 Mo8 N2 O28 -","- C144 H414 Mo72 N18 O252 -","9","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0324","0.0246","","","0.0544","0.0578","","","","","","1.035","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227828","8.8713","0.0012","10.8897","0.0015","21.328","0.003","98.581","0.005","95.318","0.005","99.992","0.005","1991.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 Mo7 N8 O30 -","- C12 H54 Mo7 N8 O30 -","- C24 H108 Mo14 N16 O60 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0204","0.0192","","","0.0475","0.0482","","","","","","0.989","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227829","27.592","0.0009","20.794","0.0006","16.12","0.0005","90","","90","","90","","9248.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H53 Mo7 N6 O35.5 -","- C18 H26 Mo7 N6 O35.5 -","- C144 H208 Mo56 N48 O284 -","8","2","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.051","0.0434","","","0.1053","0.11","","","","","","1.055","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227830","28.887","0.002","12.1278","0.0009","21.5485","0.0016","90","","108.698","0.003","90","","7150.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H44 Mo7 N O37.5 -","- C4 H39 Mo7 N O37.5 -","- C32 H312 Mo56 N8 O300 -","8","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.041","0.0325","","","0.0856","0.0936","","","","","","0.959","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227838","6.036","0.0007","10.7787","0.0008","10.9735","0.001","90","","94.546","0.01","90","","711.69","0.12","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dinitro-1,3-pentadiene","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.047","0.0357","","","0.0953","0.0983","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227839","8.3219","0.0007","5.2142","0.0004","12.3799","0.0013","90","","90.819","0.012","90","","537.13","0.08","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene 1,4-Dioxane (1/1) solvate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0383","0.0301","","","0.0827","0.086","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227840","5.4312","0.0008","6.1004","0.001","12.3902","0.0013","90","","101.006","0.005","90","","402.97","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dinitro-2,4-hexadiene","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C12 H16 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0783","0.0422","","","0.0991","0.1174","","","","","","1.042","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227841","3.8306","0.0003","10.3433","0.0006","7.9532","0.0006","90","","102.516","0.006","90","","307.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene","","- C4 H4 N2 O4 -","- C4 H4 N2 O4 -","- C8 H8 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0585","0.0356","","","0.0881","0.1023","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227846","16.0604","0.0004","16.0604","0.0004","44.117","0.0011","90","","90","","90","","11379.4","0.5","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-141","T41b","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1029","0.0627","","","0.1698","0.1917","","","","","","0.87","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227847","22.805","0.0005","22.805","0.0005","44.0727","0.0012","90","","90","","90","","22920.8","0.9","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-140","T41a","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1627","0.0697","","","0.1125","0.137","","","","","","0.804","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227851","22.089","0.013","6.142","0.004","13.906","0.009","90","","125.968","0.009","90","","1526.9","1.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Co2 N6 O11 -","- C28 H26 Co2 N6 O11 -","- C56 H52 Co4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.0715","0.0606","","","0.1639","0.1796","","","","","","1.198","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227852","22.4588","0.0011","6.1786","0.0004","14.1282","0.0007","90","","127.551","0.004","90","","1554.29","0.17","293","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Mn2 N6 O11 -","- C28 H24 Mn2 N6 O11 -","- C56 H48 Mn4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.064","0.0624","","","0.1769","0.1806","","","","","","1.093","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227853","17.3616","0.0004","22.7205","0.0008","10.3693","0.0003","90","","106.01","0.0012","90","","3931.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H36 Cu N0 O5 -","- C39 H36 Cu O5 -","- C156 H144 Cu4 O20 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1028","0.0775","","","0.2255","0.2455","","","","","","1.029","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227854","13.2142","0.0005","13.8021","0.0005","15.108","0.0005","98.5544","0.0013","94.0136","0.0013","108.002","0.0012","2571.64","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C106 H112 Cu4 O20 -","- C106 H105 Cu4 O20 -","- C106 H105 Cu4 O20 -","1","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.0996","0.0732","","","0.2015","0.2233","","","","","","1.059","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227855","31.812","0.0009","31.812","0.0009","79.5235","0.0019","90","","90","","120","","69696","3","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C151 H132 Cs0 Cu4 N2 O20 -","- C151 H115 Cu4 N2 O20 -","- C2718 H2070 Cu72 N36 O360 -","18","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","1.5418","CuKα","","0.1495","0.1134","","","0.3136","0.3466","","","","","","1.224","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227856","18.4059","0.0007","18.7645","0.0009","34.5211","0.0014","90","","90","","90","","11922.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu4 N O20 -","- C81 H65 Cu4 N O20 -","- C324 H260 Cu16 N4 O80 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1036","0.0767","","","0.2268","0.2458","","","","","","1.045","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227857","7.622","0.001","19.178","0.002","10.846","0.0013","90","","96.04","0.002","90","","1576.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}","","- C24 H36 Mn2 N8 O16 -","- C24 H36 Mn2 N8 O16 -","- C48 H72 Mn4 N16 O32 -","2","0.5","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0546","0.041","","","0.1015","0.1111","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227858","26.181","0.006","7.86","0.0018","15.687","0.003","90","","117.124","0.007","90","","2873.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu-6-aminopyridine-3-carboxylato-kN:kO)cobalt(II)]hydrate}","","- C12 H12 Co N4 O5 -","- C12 H12 Co N4 O5 -","- C96 H96 Co8 N32 O40 -","8","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.143","0.0956","","","0.1918","0.21","","","","","","1.14","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227859","9.81","0.0008","14.1534","0.0011","14.2636","0.0011","73.12","0.03","74.15","0.03","86.86","0.03","1822.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[triaqua(6-aminopyridine-3-carboxylato-kO)bis(4,4'-bipyridine)cobalt(II)](6-aminopyridine-3-carboxylato)pentahydrate","","- C32 H42 Co N8 O12 -","- C32 H42 Co N8 O12 -","- C64 H84 Co2 N16 O24 -","2","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.1672","0.0803","","","0.1876","0.218","","","","","","1.045","","","","has coordinates,has disorder","196385","2020-10-21","18:00:00",""
"7227860","11.895","0.0005","7.3902","0.0002","18.7683","0.0005","90","","90","","90","","1649.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly{[triaqua(mu-6-aminopyridine-3-carboxylato-kN:kO)(6-aminopyridine-3-carboxylato-kO')cobalt(II)]dihydrate}","","- C12 H20 Co N4 O9 -","- C12 H20 Co N4 O9 -","- C48 H80 Co4 N16 O36 -","4","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0393","0.0334","","","0.069","0.0726","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227864","7.131","0.004","9.138","0.005","14.261","0.008","77.831","0.017","76.835","0.019","79.429","0.019","875.5","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Yb3 -","- C10 H13 O13 S2 Yb3 -","- C20 H26 O26 S4 Yb6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.0678","0.0569","","","0.1488","0.155","","","","","","1.066","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227865","7.373","0.006","9.398","0.008","14.426","0.011","77.28","0.03","76.81","0.03","78.97","0.03","938.8","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Gd3 O13 S2 -","- C10 H13 Gd3 O13 S2 -","- C20 H26 Gd6 O26 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1071","0.1041","","","0.2715","0.2745","","","","","","1.054","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227866","7.2126","0.0007","9.2072","0.001","14.3212","0.0002","77.79","0.03","76.84","0.03","79.26","0.03","895.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Er3 O13 S2 -","- C10 H13 Er3 O12.99 S2 -","- C20 H26 Er6 O25.98 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1277","0.1097","","","0.2693","0.289","","","","","","1.02","","","","has coordinates,has disorder","196386","2020-10-21","18:00:00",""
"7227867","7.235","0.004","9.252","0.004","14.315","0.007","77.672","0.018","76.786","0.015","79.175","0.019","901.6","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Y3 -","- C10 H13 O13 S2 Y3 -","- C20 H26 O26 S4 Y6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1002","0.0948","","","0.2354","0.2399","","","","","","1.047","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227876","9.6422","0.0003","9.6691","0.0004","10.1342","0.0004","66.683","0.002","71.511","0.001","67.162","0.001","784.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 Br N2 O -","- C17 H19 Br N2 O -","- C34 H38 Br2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0542","0.0386","","","0.0941","0.1007","","","","","","1.028","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227877","18.632","0.006","8.288","0.002","14.009","0.005","90","","127.796","0.008","90","","1709.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(3-bromo-4-(dimethylamino)phenyl)methanone","bis(3-bromo-4-(dimethylamino)phenyl)methanone","","- C17 H18 Br2 N2 O -","- C17 H18 Br2 N2 O -","- C68 H72 Br8 N8 O4 -","4","0.5","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0382","0.0294","","","0.074","0.079","","","","","","1.041","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227878","7.2012","0.0007","10.0238","0.001","10.6964","0.001","84.21","0.003","81.717","0.003","70.242","0.003","717.94","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","3,3?-Dibromo-4,4?-dimethoxybenzophenone","","- C15 H12 Br2 O3 -","- C15 H12 Br2 O3 -","- C30 H24 Br4 O6 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0268","0.0221","","","0.0585","0.0608","","","","","","0.993","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227879","11.8321","0.001","9.9164","0.0008","13.5148","0.001","90","","94.805","0.003","90","","1580.1","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-bromo-4-(dimethylamino)phenyl)(3-bromo-4-(methylamino)phenyl)methanone","","- C16 H16 Br2 N2 O -","- C16 H16 Br2 N2 O -","- C64 H64 Br8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0799","0.066","","","0.1791","0.2001","","","","","","1.083","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227880","12.2967","0.0005","9.6212","0.0005","14.0625","0.0006","90","","96.74","0.002","90","","1652.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(dimethylamino)-3-iodophenyl)(3-iodo-4-(methylamino)phenyl)methanone","","- C16 H16 I2 N2 O -","- C16 H16 I2 N2 O -","- C64 H64 I8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0344","0.0241","","","0.0471","0.0504","","","","","","1.117","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227881","9.5382","0.0005","9.6556","0.0005","10.2314","0.0005","72.585","0.002","68.506","0.002","67.819","0.002","797.58","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C34 H38 I2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0507","0.0323","","","0.0638","0.0689","","","","","","1.069","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227893","9.48269","0.00014","12.34678","0.00029","3.68977","0.000052","90","","90","","90.4227","0.0069","431.989","0.013","298","","298","","","","","","","","","5","P 1 1 2/m","-P 2","10","Dibromo(4-cyanopyridine)Nickel","Dibromo(4-cyanopyridine)Nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.628","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227894","26.69813","0.00038","7.29357","0.00011","3.735946","0.000042","90","","90","","90","","727.481","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Nickel","Dibromo-bis(4-cyanopyridine)Nickel","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01613","1.481","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227895","9.50494","0.00026","7.58104","0.00041","3.513186","0.000064","90","","90","","128.019","0.0032","199.433","0.015","298","","298","","","","","","","","","5","P 1 1 m","P -2","6","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro(4-cyanopyridine)Nickel","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","1","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01769","1.485","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227896","26.8461","0.0015","7.31908","0.00032","3.7708","0.00011","90","","90","","90","","740.92","0.06","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Cobalt","Dibromo-bis(4-cyanopyridine)Cobalt","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","0.00863","1.06","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227897","7.96092","0.00038","27.33624","0.00013","3.79473","0.00018","90","","97.4815","0.0016","90","","818.79","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.03203","2.091","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227898","26.4504","0.0007","7.16668","0.00019","3.58904","0.00007","90","","92.474","0.004","90","","679.71","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro-bis(4-cyanopyridine)Nickel","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C24 H16 Cl4 N8 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0085","1.366","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227899","13.83118","0.00025","7.93848","0.00014","3.79073","0.000043","96.1714","0.0015","94.9144","0.0014","96.8254","0.0011","408.824","0.011","298","","298","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C12 H8 Cl4 Cu2 N4 -","2","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01767","1.742","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227900","8.322","0.005","10.111","0.005","14.048","0.005","99.667","0.005","102.545","0.005","113.317","0.005","1016.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O8 -","- C21 H16 Cd N2 O8 -","- C42 H32 Cd2 N4 O16 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0838","0.0642","","","0.1858","0.2","","","","","","1.07","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227901","8.363","0.009","10.188","0.011","14.322","0.015","98.845","0.015","100.165","0.014","112.564","0.012","1076","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71073","MoKα","","0.064","0.0467","","","0.1106","0.1441","","","","","","1.148","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227902","8.418","0.005","10.214","0.005","11.382","0.005","75.111","0.005","83.956","0.005","78.582","0.005","925.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N O7 -","- C22 H16 Cd N O7 -","- C44 H32 Cd2 N2 O14 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0448","0.036","","","0.0843","0.0888","","","","","","1.053","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227903","9.904","0.005","11.945","0.005","13.078","0.005","69.194","0.005","75.412","0.005","70.291","0.005","1346.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0871","0.0466","","","0.0899","0.1021","","","","","","1.028","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227904","9.995","0.005","18.248","0.005","22.57","0.005","90","0.005","90","0.005","90","0.005","4117","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cd3 O26 -","- C32 H40 Cd3 O26 -","- C128 H160 Cd12 O104 -","4","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0511","0.0388","","","0.09","0.0972","","","","","","1.08","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227905","16.164","0.005","11.755","0.005","20.199","0.004","90","","120.402","0.017","90","","3310.2","1.9","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C62 H46 Cd3 N6 O16 -","- C62 H46 Cd3 N6 O16 -","- C124 H92 Cd6 N12 O32 -","2","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0961","0.0593","","","0.1531","0.1683","","","","","","1.007","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227906","15.0907","0.0009","15.2326","0.0009","18.8918","0.0011","80.9942","0.0009","83.7204","0.001","75.2446","0.0009","4136.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells–Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71","MoKα","","0.082","0.0757","","","0.1037","0.1251","","","","","","1.093","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7227907","22.034","0.013","22.034","0.013","34.773","0.016","90","","90","","120","","14620","14","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H144 As12 Cu36 Mo108 N216 O372 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","1","0.0277778","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells‒Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71073","MoKα","","0.0891","0.0717","","","0.1827","0.2128","","","","","","1.07","","","","has coordinates,has disorder","196376","2020-10-21","18:00:00",""
"7227908","13.3102","0.0019","17.025","0.002","14.896","0.002","90","","108.86","0.004","90","","3194.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","{D-Gln@TMeQ[6]}.Cl.11H2O","complex1","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1773","0.0989","","","0.2487","0.3059","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227909","13.4651","0.0009","16.34","0.0011","29.934","0.002","90","","100.665","0.002","90","","6472.3","0.8","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{TMeQ[6]?Cd(H2O)3D-Val?TMeQ[6]}.(NO3)2.21H2O","complex7","","- C85 H139 Cd N51 O53 -","- C85 H97 Cd N49 O45 -","- C170 H194 Cd2 N98 O90 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0523","0.0438","","","0.1082","0.1132","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227910","13.277","0.002","17.119","0.003","15.609","0.003","90","","112.981","0.002","90","","3266.2","1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Ser?TMeQ[6].Cl.10H2O","complex6","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O25 -","- C86 H104 N50 O50 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1404","0.0667","","","0.1728","0.1873","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227911","13.219","0.003","17.089","0.004","15.467","0.003","90","","112.608","0.007","90","","3225.5","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ser?TMeQ[6].Cl.10H2O","complex5","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O24.5 -","- C86 H104 N50 O49 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0901","0.0776","","","0.2151","0.2288","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227912","11.9992","0.0009","12.9523","0.0005","12.967","0.0005","117.184","0.001","105.147","0.002","93.662","0.002","1690.55","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(D-Met)@TMeQ[6]}.(NO3)2.10H2O","complex3","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0466","0.0456","","","0.1259","0.1284","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227913","13.2985","0.0015","17.0458","0.0019","14.9506","0.0017","90","","108.985","0.003","90","","3204.7","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{L-Gln@TMeQ[6]}.Cl.11H2O","complex2","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1557","0.0963","","","0.2409","0.2852","","","","","","1.006","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227914","12.0385","0.0011","12.9653","0.0006","12.9988","0.0006","117.301","0.002","93.649","0.002","105.198","0.002","1699.4","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(L-Met)@TMeQ[6]}.(NO3)2.10H2O","complex4","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O34 S -","- C45 H55 Cd N27 O34 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0953","0.0853","","","0.22","0.2464","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227915","25.5147","0.0015","13.4137","0.0008","14.6329","0.0009","90","","101.966","0.0009","90","","4899.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ce2 N6 O22 -","- C22 H18 Ce2 N2 O18 -","- C88 H72 Ce8 N8 O72 -","4","0.5","","Ma, Aiqing; Ke, Fei; Jiang, Jing; Yuan, Qiaoyu; Luo, Zhidong; Liu, Jianqiang; Kumar, Abhinav","Two lanthanide-based metal‒organic frameworks for highly efficient adsorption and removal of fluoride ions from water","CrystEngComm","2017","19","16","2172","","10.1039/C7CE00291B","","","0.71073","MoKα","","0.0806","0.0562","","","0.1506","0.1698","","","","","","1.039","","","","has coordinates","196384","2020-10-21","18:00:00",""
"7227918","4.0145","0.0003","26.7097","0.0018","11.7285","0.001","90","","94.126","0.007","90","","1254.34","0.17","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","0.71073","MoKα","","0.0573","0.0396","","","0.0754","0.0842","","","","","","1.014","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227919","21.986","0.002","3.9115","0.0004","30.02","0.002","90","","106.946","0.009","90","","2469.6","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0738","0.0575","","","0.1491","0.1688","","","","","","1.039","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227920","3.8841","0.0002","11.6062","0.0006","27.622","0.0012","90","","90","","90","","1245.19","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0454","0.0404","","","0.1083","0.1139","","","","","","1.077","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227921","33.6004","0.0006","26.9604","0.0005","23.2138","0.0005","90","","90","","90","","21028.9","0.7","133","2","133","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C50 H28 Co3 N2 O16 -","- C50 H28 Co3 N2 O16 -","- C400 H224 Co24 N16 O128 -","8","0.5","","Akintola, Oluseun; Ziegenbalg, Sven; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Robust anionic pillared-layer framework with triphenylamine-based linkers: ion exchange and counterion-dependent sorption properties","CrystEngComm","2017","","","","","10.1039/C7CE00369B","","","0.71073","MoKα","","0.0929","0.0649","","","0.182","0.1984","","","","","","1.02","","","","has coordinates","194464","2020-10-21","18:00:00",""
"7227922","4.8168","0.0006","10.4707","0.001","11.0951","0.0009","107.086","0.008","95.382","0.009","93.503","0.009","530.21","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C4 H6 O5 -","- C4 H6 O5 -","- C16 H24 O20 -","4","4","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0557","0.0519","","","0.1375","0.1425","","","","","","1.034","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227923","25.7697","0.0014","5.2445","0.0002","9.6681","0.0006","90","","97.215","0.005","90","","1296.29","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10.85 H22.57 N2 O4 -","- C10.845 H22.57 N2 O4 -","- C43.38 H90.28 N8 O16 -","4","1","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0439","0.0428","","","0.1171","0.1182","","","","","","1.061","","","","has coordinates","195033","2020-10-21","18:00:00",""
"7227947","10.4656","0.0004","13.8598","0.0005","11.2698","0.0004","90","","110.768","0.001","90","","1528.48","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N4 O6 P2 -","- C30 H38 N4 O6 P2 -","- C60 H76 N8 O12 P4 -","2","0.5","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0631","0.0491","","","0.1184","0.1284","","","","","","1.05","","","","has coordinates,has disorder","194631","2020-10-21","18:00:00",""
"7227948","9.422","0.003","10.045","0.003","14.165","0.004","90","","94.264","0.005","90","","1336.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C56 H60 N8 O8 P4 -","2","0.5","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0621","0.0427","","","0.1029","0.1172","","","","","","0.968","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227949","12.9321","0.0004","19.0714","0.0006","21.9285","0.0007","90","","90","","90","","5408.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C224 H240 N32 O32 P16 -","8","2","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0393","0.032","","","0.0844","0.09","","","","","","1.065","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227961","15.887","0.0016","5.9848","0.0006","13.8225","0.0014","90","","93.469","0.005","90","","1311.8","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(AN2690)(ina)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, isonicotinamide","","- C13 H12 B F N2 O3 -","- C13 H12 B F N2 O3 -","- C52 H48 B4 F4 N8 O12 -","4","1","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0794","0.0468","","","0.117","0.1346","","","","","","1.069","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227962","15.0294","0.0015","5.9476","0.0006","14.5384","0.0015","90","","110.69","0.005","90","","1215.8","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpeta)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 1,2-bis(4-pyridyl)ethane","","- C26 H24 B2 F2 N2 O4 -","- C26 H24 B2 F2 N2 O4 -","- C52 H48 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0599","0.0467","","","0.1319","0.1443","","","","","","1.02","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227963","14.8742","0.0015","5.9305","0.0006","14.3285","0.0014","90","","109.171","0.005","90","","1193.8","0.2","298","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpe)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 1,2-bis(4-pyridyl)ethylene","","- C26 H22 B2 F2 N2 O4 -","- C26 H22 B2 F2 N2 O4 -","- C52 H44 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0484","0.0374","","","0.1067","0.1186","","","","","","0.999","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227964","14.5378","0.0015","6.0517","0.0006","14.4276","0.0014","90","","118.366","0.005","90","","1116.9","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpy)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 4,4'-bipyridine","","- C24 H20 B2 F2 N2 O4 -","- C24 H20 B2 F2 N2 O4 -","- C48 H40 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0595","0.0413","","","0.1033","0.1153","","","","","","1.088","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227965","14.8042","0.0004","16.9788","0.0004","17.5636","0.0006","99.169","0.002","104.186","0.003","101.157","0.002","4098.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H94 N8 O19 Zn3 -","- C91 H94 N8 O19 Zn3 -","- C182 H188 N16 O38 Zn6 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","1.54178","CuKα","","0.0928","0.0736","","","0.2125","0.2274","","","","","","1.099","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227966","15.8325","0.0019","22.884","0.003","36.596","0.005","90","","97.523","0.002","90","","13145","3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C278 H276 Cd9 N25 O62 -","- C278 H275 Cd9 N25 O62 -","- C556 H550 Cd18 N50 O124 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0564","0.0519","","","0.1315","0.1363","","","","","","1.107","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227967","30.057","0.006","16.187","0.003","21.894","0.004","90","","114.478","0.003","90","","9695","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H54 N4 O14 Zn3 -","- C74 H54 N4 O14 Zn3 -","- C296 H216 N16 O56 Zn12 -","4","0.5","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0583","0.0495","","","0.1449","0.1517","","","","","","1.083","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227968","11.151","0.004","14.724","0.005","15.569","0.005","63.18","0.012","71.118","0.014","79.302","0.017","2156.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Cd1.5 N4 O10 -","- C45 H47 Cd1.5 N4 O10 -","- C90 H94 Cd3 N8 O20 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0478","0.0429","","","0.1379","0.1418","","","","","","1.048","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227969","14.6832","0.0005","15.5902","0.0006","19.356","0.0003","83.727","0.005","81.479","0.005","87.507","0.006","4354","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H98 N8 O22 Zn3 -","- C90 H94 N8 O22 Zn3 -","- C180 H188 N16 O44 Zn6 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0795","0.0699","","","0.2137","0.2252","","","","","","1.105","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227970","10.7451","0.0011","5.1443","0.0005","10.5886","0.001","90","","93.357","0.001","90","","584.29","0.1","296.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O6 P2 Zn2 -","- C8 H8 O6 P2 Zn2 -","- C16 H16 O12 P4 Zn4 -","2","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0538","0.0459","","","0.1234","0.1316","","","","","","1.035","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227971","22.259","0.002","5.8452","0.0006","4.9451","0.0004","90","","90","","90","","643.4","0.1","298","2","298.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 O8 P2 Zn2 -","- C8 H12 O8 P2 Zn2 -","- C16 H24 O16 P4 Zn4 -","2","0.25","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0627","0.058","","","0.1474","0.1503","","","","","","1.093","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227972","13.1036","0.0012","22.262","0.002","8.5052","0.0008","90","","90","","90","","2481.1","0.4","298","2","298.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H20 Na2 O14 P4 Zn3 -","- C16 H20 Na2 O14 P4 Zn3 -","- C64 H80 Na8 O56 P16 Zn12 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0384","0.0298","","","0.0789","0.0824","","","","","","1.046","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227973","20.9501","0.0018","5.2845","0.0004","23.55","0.002","90","","93.373","0.001","90","","2602.7","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Na2 O15 P4 Zn2 -","- C16 H22 Na2 O15 P4 Zn2 -","- C64 H88 Na8 O60 P16 Zn8 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0669","0.0434","","","0.0939","0.103","","","","","","1.056","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227974","10.8895","0.0002","15.6795","0.0004","16.3632","0.0003","99.4445","0.0018","93.0501","0.0015","93.7936","0.0017","2744.14","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H31 Cl I N5 Pt -","- C26.5 H31 Cl I N5 Pt -","- C106 H124 Cl4 I4 N20 Pt4 -","4","2","","Novikov, Alexander S.; Ivanov, Daniil M.; Avdontceva, Margarita S.; Kukushkin, Vadim Yu.","Diiodomethane as Halogen Bond Donor toward Metal-bound Halides","CrystEngComm","2017","","","","","10.1039/C7CE00346C","","","0.71073","MoKα","","0.0398","0.0289","","","0.0625","0.0673","","","","","","1.039","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227975","36.424","0.005","17.532","0.002","13.651","0.0018","90","","93.591","0.004","90","","8700.2","1.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H97 Cs N24 O35 -","- C72 H72 Cs N24 O25 -","- C288 H288 Cs4 N96 O100 -","4","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.1489","0.1238","","","0.397","0.4098","","","","","","1.539","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227976","21.382","0.003","13.15","0.002","26.066","0.004","90","","106.422","0.003","90","","7030.1","1.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 Cd2 Cl7 Cs N24 O19 -","- C44 H52 Cd2 Cl7 Cs N24 O12 -","- C176 H208 Cd8 Cl28 Cs4 N96 O48 -","4","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.075","0.0576","","","0.1731","0.1855","","","","","","1.117","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227977","13.3215","0.0005","16.4274","0.0007","16.0353","0.0006","90","","113.592","0.001","90","","3215.8","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H80 Cd Cl4 N24 O25 -","- C44 H52 Cd Cl4 N24 O12 -","- C88 H104 Cd2 Cl8 N48 O24 -","2","1","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0464","0.0413","","","0.0963","0.0984","","","","","","1.04","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227978","12.4353","0.0009","12.8181","0.0009","13.2339","0.0009","61.113","0.002","79.45","0.002","79.892","0.002","1806.4","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H76 Cd2 Cl8 K4 N24 O24 -","- C44 H52 Cd2 Cl8 K4 N24 O22 -","- C44 H52 Cd2 Cl8 K4 N24 O22 -","1","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0973","0.0824","","","0.2225","0.233","","","","","","1.044","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227979","11.239","0.006","15.408","0.008","24.027","0.012","90","","98.565","0.014","90","","4114","4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 Cl2 N24 Na2 O31 -","- C72 H76 Cl2 N24 Na2 O30 -","- C144 H152 Cl4 N48 Na4 O60 -","2","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.114","0.0609","","","0.1618","0.1919","","","","","","0.922","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227980","12.3158","0.0007","16.9613","0.0009","16.6577","0.0008","90","","96.41","0.002","90","","3457.9","0.3","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H81 Cd2 Cl7 N24 O25 -","- C44 H52 Cd2 Cl7 N24 O12 -","- C88 H104 Cd4 Cl14 N48 O24 -","2","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0987","0.0691","","","0.1647","0.1763","","","","","","1.036","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227981","10.337","0.002","15.507","0.003","27.383","0.006","90","","96.84","0.03","90","","4358.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co N2 O6 -","- C26 H22 Co N2 O6 -","- C104 H88 Co4 N8 O24 -","4","0.5","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.0822","0.0578","","","0.2179","0.2431","","","","","","0.915","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227982","8.1941","0.0005","16.2658","0.0009","16.7088","0.0009","78.246","0.002","87.041","0.002","84.491","0.002","2169.1","0.2","287","2","287","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Er O8 S -","- C26 H19 Er O8 S -","- C52 H38 Er2 O16 S2 -","2","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","","0.71073","MoKα","","0.047","0.0339","","","0.079","0.0842","","","","","","1.032","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227983","32.978","0.007","7.9043","0.0016","19.738","0.004","90","","106.77","0.03","90","","4926.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd O6.25 S2.5 -","- C21 H23 Cd O6.25 S2.5 -","- C168 H184 Cd8 O50 S20 -","8","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.0441","0.03","","","0.062","0.0674","","","","","","1.084","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227984","35.067","0.003","24.035","0.003","26.081","0.003","90","","132.068","0.003","90","","16318","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Gd2 O16 -","- C48 H32 Gd2 O16 -","- C384 H256 Gd16 O128 -","8","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.1879","0.1425","","","0.3835","0.4313","","","","","","1.061","","","","has coordinates","194684","2020-10-21","18:00:00",""
"7227993","27.6575","0.0015","27.6575","0.0015","10.9557","0.0014","90","","90","","120","","7257.7","1.1","290","1","290","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type I cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C37.9998 H45.3328 O3.6666 S -","- C341.998 H407.995 O32.9994 S9 -","9","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0411","0.0397","","","0.116","0.1186","","","","","","1.006","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227994","28.246","0.004","28.246","0.004","10.965","0.003","90","","90","","120","","7576","3","371","1","371","1","","","","","","","","4","R -3 :H","-R 3","148","S-Dianin's Compound with IPA guest, Type I cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C18.3334 H20 O1.08333 S -","- C330.001 H360 O19.5 S18 -","18","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.2061","0.1493","","","0.3289","0.4072","","","","","","1.981","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227995","56.1623","0.0004","56.1623","0.0004","10.88656","0.00012","90","","90","","120","","29738","0.4","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0511","0.0457","","","0.1326","0.1435","","","","","","1","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227996","56.4934","0.0004","56.4934","0.0004","10.9041","0.0001","90","","90","","120","","30138.1","0.4","295","1","295","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0592","0.0545","","","0.1552","0.1614","","","","","","1.026","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227997","55.0808","0.0009","55.0808","0.0009","10.8542","0.0002","90","","90","","120","","28518.6","0.8","90","1","90","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type II cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C38 H45.3332 O3.66666 S -","- C1368 H1632 O132 S36 -","36","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0317","0.0312","","","0.081","0.0815","","","","","","1.04","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227998","111.791","0.0004","111.791","0.0004","10.8568","0.0001","90","","90","","120","","117502","1.2","90","1","90","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6667 O1.33333 S -","- C5472 H6528 O383.999 S288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0652","0.0608","","","0.1736","0.1775","","","","","","1.048","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227999","113.983","0.005","113.983","0.005","10.7937","0.0007","90","","90","","120","","121445","11","120","2","120","1","","","","","","","","4","R -3 :H","-R 3","148","SelenaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylselenachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 Se -","- C19 H20.4167 O1.33333 Se -","- C5472 H5880 O383.999 Se288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","0.71073","MoKα","","0.1743","0.1092","","","0.2502","0.2638","","","","","","1.491","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7228000","10.4069","0.0013","14.095","0.0017","15.263","0.002","86.244","0.003","85.165","0.003","85.393","0.004","2219.8","0.5","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H51 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0496","","","","0.1333","","","","","","1.067","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228001","10.929","0.002","13.658","0.003","16.296","0.003","71.368","0.009","74.864","0.01","69.076","0.009","2123.1","0.7","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H44 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0514","","","","0.1398","","","","","","1.063","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228002","8.279","0.0006","13.8112","0.0011","14.0825","0.0013","91.101","0.006","97.128","0.005","90.515","0.004","1597.4","0.2","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0716","","","","0.2091","","","","","","1.092","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228003","7.7565","0.0002","16.3013","0.0005","18.1525","0.0005","90","","97.092","0.003","90","","2277.66","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N7 O6 Zn2 -","- C15 H15 N7 O6 Zn2 -","- C60 H60 N28 O24 Zn8 -","4","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0683","0.0645","","","0.1825","0.1852","","","","","","0.829","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7228004","14.0656","0.0005","14.0656","0.0005","15.9629","0.0011","90","","90","","90","","3158.1","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H14 N8 O6 Zn2 -","- C21 H16 N8 O6 Zn2 -","- C84 H64 N32 O24 Zn8 -","4","0.5","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","0.71073","MoKα","","0.0594","0.0548","","","0.1615","0.1663","","","","","","1.061","","","","has coordinates","195226","2020-10-21","18:00:00",""
"7228005","23.9672","0.0002","23.9672","0.0002","14.6637","0.0003","90","","90","","120","","7294.72","0.17","100","0.3","100","0.3","","","","","","","","5","P 6/m","-P 6","175","","","","- C15 H9 N7 O5 Zn2 -","- C15 H9 N7 O5 Zn2 -","- C180 H108 N84 O60 Zn24 -","12","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0935","0.0853","","","0.2698","0.2845","","","","","","1.005","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7228006","10.5112","0.0005","16.4981","0.0007","22.863","0.001","90","","90.391","0.001","90","","3964.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 17(H2O)","","","- C27 H50 Co Gd N9 O20.5 -","- C27 H50 Co Gd N9 O20.5 -","- C108 H200 Co4 Gd4 N36 O82 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0734","0.0483","","","0.1124","0.1206","","","","","","1","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228007","10.4992","0.0004","21.4101","0.0009","16.8664","0.0007","90","","95.879","0.001","90","","3771.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 13(H2O)","","","- C27 H46 Co Gd N9 O18.5 -","- C27 H46 Co Gd N9 O18.5 -","- C108 H184 Co4 Gd4 N36 O74 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0272","0.023","","","0.0478","0.049","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228008","10.6445","0.0006","10.6445","0.0006","36.732","0.003","90","","90","","120","","3604.3","0.4","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","[Gd(dipic)3] [Co(sar)(NO2)2] * 12(H2O)","","","- C35 H63 Co Gd N11 O28 -","- C35 H39 Co Gd N11 O28 -","- C105 H117 Co3 Gd3 N33 O84 -","3","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0828","0.0458","","","0.0718","0.0776","","","","","","1.001","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228009","32.494","0.002","10.6067","0.0006","22.729","0.001","90","","115.372","0.001","90","","7078","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2[La(dipic)3] 2(CoEn3) * 9(H2O)","","","- C54 H84 Co2 La2 N18 O33 -","- C54 H84 Co2 La2 N18 O33 -","- C216 H336 Co8 La8 N72 O132 -","4","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0594","0.0332","","","0.0738","0.0821","","","","","","1.004","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228010","15.191","0.001","10.5019","0.0009","22.891","0.002","90","","107.102","0.002","90","","3490.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[La(dipic)3] [CoEn3] * 4(H2O)","","","- C27 H41 Co La N9 O16 -","- C27 H41 Co La N9 O16 -","- C108 H164 Co4 La4 N36 O64 -","4","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0813","0.0443","","","0.0911","0.1022","","","","","","1.003","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228011","10.6171","0.0005","21.464","0.001","16.9092","0.0009","90","","96.623","0.001","90","","3827.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[La(dipic)3] 2[CoEn3] * 13(H2O)","","","- C54 H92 Co2 La2 N18 O37 -","- C54 H90 Co2 La2 N18 O37 -","- C108 H180 Co4 La4 N36 O74 -","2","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0388","0.0299","","","0.0603","0.0628","","","","","","1","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228012","5.8787","0.0003","8.2985","0.0004","13.07","0.002","81.714","0.008","87.395","0.008","82.183","0.004","624.88","0.11","293","2","293","2","","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0716","0.0442","","","0.0868","0.1008","","","","","","1.095","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228013","6.3489","0.0004","8.8785","0.0005","13.387","0.003","81.965","0.01","85.674","0.01","84.251","0.005","742","0.18","293","2","293","2","","","330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1003","0.0526","","","0.1161","0.1425","","","","","","0.972","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228014","6.2278","0.0005","9.026","0.002","13.3215","0.0014","79.608","0.013","86.913","0.008","85.99","0.013","734.09","0.19","293","2","293","2","460000","","460000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.163","0.0772","","","0.1557","0.2054","","","","","","1.033","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228015","5.7365","0.0003","8.0902","0.0004","12.894","0.002","82.422","0.008","88.028","0.008","82.178","0.004","587.58","0.1","293","2","293","2","","","6830000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0798","0.0502","","","0.1029","0.1185","","","","","","1.098","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228016","5.8913","0.0003","8.5944","0.0015","12.8846","0.0015","80.681","0.012","85.494","0.007","85.723","0.009","640.51","0.14","293","2","293","2","3000000","","3000000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.116","0.066","","","0.1148","0.1407","","","","","","1.054","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228017","5.7168","0.0004","8.3457","0.0014","12.6434","0.001","81.496","0.001","84.436","0.007","85.47","0.011","592.5","0.12","293","2","293","2","6100000","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.09","0.0539","","","0.1071","0.1256","","","","","","1.063","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228018","5.7996","0.0003","8.1816","0.0004","12.978","0.003","82.064","0.009","87.702","0.009","82.134","0.004","604.03","0.15","293","2","293","2","","","5450000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0646","0.0412","","","0.0828","0.097","","","","","","1.036","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228019","5.8202","0.0003","8.536","0.005","12.7885","0.0014","80.81","0.02","85.069","0.006","85.606","0.014","623.6","0.4","293","2","293","2","4030000","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1015","0.0573","","","0.1133","0.1356","","","","","","1.056","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228020","5.7694","0.0003","8.1369","0.0004","12.941","0.003","82.207","0.009","87.842","0.009","82.147","0.004","596.15","0.15","293","2","293","2","","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0666","0.0437","","","0.0895","0.1034","","","","","","1.06","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228021","5.9272","0.0003","8.3697","0.0004","13.124","0.002","81.58","0.008","87.185","0.008","82.254","0.004","637.89","0.11","293","2","293","2","","","3320000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0719","0.0416","","","0.0691","0.078","","","","","","1.106","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228022","5.9669","0.0003","8.6945","0.0018","12.9785","0.0009","80.432","0.01","85.884","0.005","85.774","0.008","660.93","0.15","293","2","293","2","2130000","","2130000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1204","0.0664","","","0.1401","0.172","","","","","","1.025","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228023","6.0542","0.0006","8.807","0.003","13.095","0.002","80.05","0.02","86.26","0.011","85.728","0.019","684.8","0.3","293","2","293","2","1330000","","1330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1434","0.075","","","0.1709","0.2213","","","","","","1.041","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228024","6.0717","0.0003","8.5574","0.0005","13.251","0.002","81.402","0.009","86.675","0.009","82.667","0.005","674.66","0.12","293","2","293","2","","","1730000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0802","0.0465","","","0.0964","0.1153","","","","","","0.935","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228025","5.9122","0.0003","8.617","0.004","12.915","0.0017","80.61","0.019","85.576","0.007","85.688","0.012","645.9","0.3","293","2","293","2","2720000","","2720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1297","0.0727","","","0.1649","0.2127","","","","","","1.025","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228026","5.7692","0.0002","8.421","0.002","12.7212","0.0011","81.231","0.012","84.74","0.005","85.557","0.009","606.96","0.16","293","2","293","2","5010000","","5010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0928","0.053","","","0.0904","0.1092","","","","","","1.053","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228027","5.9953","0.0003","8.4598","0.0004","13.189","0.002","81.453","0.009","86.954","0.009","82.427","0.004","655.35","0.11","293","2","293","2","","","2500000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0748","0.042","","","0.0933","0.1144","","","","","","0.986","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228028","6.1901","0.0004","8.6946","0.0006","13.321","0.003","81.572","0.011","86.221","0.01","83.18","0.005","703.32","0.17","293","2","293","2","","","1010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0854","0.0486","","","0.1118","0.1353","","","","","","0.943","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228029","5.8398","0.0003","8.2425","0.0004","13.031","0.003","81.891","0.008","87.556","0.008","82.156","0.004","614.98","0.15","293","2","293","2","","","4720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0679","0.0433","","","0.095","0.1081","","","","","","1.071","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228031","12.487","0.01","12.487","0.01","9.776","0.011","90","","90","","90","","1524","2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.1655","0.1094","","","0.2513","0.2786","","","","","","0.903","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7228032","12.8","0.003","12.8","0.003","9.984","0.005","90","","90","","90","","1635.8","1","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.0632","0.0529","","","0.1297","0.1348","","","","","","1.005","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7228033","32.49","0.005","32.49","0.005","25.78","0.005","90","","90","","90","","27213","8","293","2","296","2","","","","","","","","5","I 4","I 4","79","","DUT-129","","- C52 H60 N4 O8 Zn -","- C52 H60 N4 O8 Zn -","- C624 H720 N48 O96 Zn12 -","12","1.5","","Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters.","CrystEngComm","2017","","","","","10.1039/C7CE00410A","","x-ray","0.88561","synchrotron","","0.1579","0.0669","","","0.1498","0.1952","","","","","","0.906","","","","has coordinates","195273","2020-10-21","18:00:00",""
"7228036","7.9573","0.0008","10.3708","0.0008","14.498","0.0013","90.488","0.007","96.737","0.008","100.862","0.007","1166.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N2 O8 -","- C27 H18 Cd N2 O8 -","- C54 H36 Cd2 N4 O16 -","2","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0615","0.0425","","","0.0691","0.0799","","","","","","1.056","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228037","21.8374","0.0009","10.3384","0.0005","24.6652","0.0012","90","","95.758","0.004","90","","5540.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Mn3 N6 O16 -","- C66 H42 Mn3 N6 O16 -","- C264 H168 Mn12 N24 O64 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0858","0.0517","","","0.0839","0.1017","","","","","","1.05","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228038","10.3948","0.001","7.9986","0.0006","28.3241","0.0017","90","","93.65","0.007","90","","2350.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0588","0.041","","","0.0838","0.0932","","","","","","1.011","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228039","9.9405","0.0004","17.5969","0.0007","19.2671","0.0007","90","","95.778","0.004","90","","3353.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H23 Cd2 Cl N4 O7 -","- C39 H23 Cd2 Cl N4 O7 -","- C156 H92 Cd8 Cl4 N16 O28 -","4","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0835","0.0474","","","0.0819","0.1061","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228040","14.9155","0.0011","20.1133","0.0009","14.3821","0.0007","90","","105.87","0.006","90","","4150.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Cd3 N2 O14 -","- C40 H24 Cd3 N2 O14 -","- C160 H96 Cd12 N8 O56 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0436","0.0319","","","0.0563","0.0613","","","","","","0.99","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228041","11.6055","0.0005","14.9903","0.0004","13.1804","0.0009","90","","114.102","0.007","90","","2093.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cd3 N8 O14 -","- C42 H26 Cd3 N8 O14 -","- C84 H52 Cd6 N16 O28 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0552","0.0358","","","0.0662","0.0776","","","","","","1.025","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228042","12.1882","0.0005","15.0139","0.0004","13.241","0.0006","90","","114.569","0.005","90","","2203.63","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H30 Mn3 N4 O14 -","- C50 H30 Mn3 N4 O14 -","- C100 H60 Mn6 N8 O28 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0585","0.0399","","","0.0715","0.0821","","","","","","1.069","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228043","17.3969","0.001","22.9035","0.0012","14.6548","0.0009","90","","99.242","0.005","90","","5763.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H46 N6 O17 Zn3 -","- C66 H46 N6 O17 Zn3 -","- C264 H184 N24 O68 Zn12 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.1167","0.0638","","","0.1092","0.139","","","","","","1.011","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228044","22.5877","0.0005","10.2617","0.0002","24.0631","0.0005","90","","95.087","0.002","90","","5555.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0482","0.033","","","0.0571","0.0655","","","","","","1.04","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228045","9.581","0.0003","41.4136","0.0015","9.8344","0.0004","90","","98.146","0.004","90","","3862.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H58 N9 Ni3 O17 -","- C81 H58 N9 Ni3 O17 -","- C162 H116 N18 Ni6 O34 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0816","0.0556","","","0.1345","0.1537","","","","","","1.039","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228046","18.7994","0.0007","13.0415","0.0008","16.9882","0.001","90","","93.823","0.005","90","","4155.8","0.4","293","2","293","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C21 H12 N4 O7 Zn2 -","- C21 H12 N4 O7 Zn2 -","- C168 H96 N32 O56 Zn16 -","8","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0795","0.0502","","","0.114","0.1311","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228047","10.8678","0.0006","14.2781","0.0009","14.568","0.0006","109.047","0.005","103.976","0.004","90.04","0.005","2065.7","0.2","294.2","0.3","294.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cd3 Cl O19 -","- C30 H25 Cd3 Cl O19 -","- C60 H50 Cd6 Cl2 O38 -","2","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","x-ray","0.71073","MoKα","","0.0839","0.0731","","","0.1765","0.1812","","","","","","1.14","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228048","11.6968","0.0004","16.3288","0.0003","13.0831","0.0005","90","","115.442","0.004","90","","2256.47","0.14","292.8","0.1","292.8","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O16 -","- C54 H34 Cd3 N4 O16 -","- C108 H68 Cd6 N8 O32 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","x-ray","0.71073","MoKα","","0.0461","0.0356","","","0.0721","0.0806","","","","","","0.997","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228053","8.5054","0.0002","10.2435","0.0002","10.9144","0.0003","63.35","0.002","71.042","0.002","82.5615","0.0019","803.65","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Yb -","- C15 H15 N O8 Yb -","- C30 H30 N2 O16 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","","0.71073","MoKα","","0.0168","0.0162","","","0.0362","0.0365","","","","","","1.067","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228054","10.56825","0.00017","12.66272","0.00019","6.6229","0.00013","90","","95.2274","0.0017","90","","882.61","0.03","296","3","296","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 O6 Yb -","- C9 H5 O6 Yb -","- C36 H20 O24 Yb4 -","4","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","1.54184","CuKα","","0.0627","0.0561","","","0.1522","0.1554","","","","","","1.066","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228055","18.295","0.0004","10.8482","0.0002","17.3984","0.0004","90","","101.395","0.002","90","","3384.96","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N O7.5 Yb -","- C15 H14 N O7.5 Yb -","- C120 H112 N8 O60 Yb8 -","8","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0478","0.0358","","","0.1042","0.1155","","","","","","1.03","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228056","8.4515","0.0002","12.3972","0.0004","12.568","0.0003","110.453","0.002","102.132","0.002","109.619","0.003","1079.2","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O9 Yb -","- C21 H20 N O9 Yb -","- C42 H40 N2 O18 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0452","0.0403","","","0.1032","0.1065","","","","","","1.041","","","","has coordinates,has disorder","196373","2020-10-21","18:00:00",""
"7228059","6.9551","0.0008","10.549","0.0011","11.4502","0.0012","109.409","0.004","99.928","0.004","98.943","0.004","759.75","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu Dy2 O24 -","- C20 H32 Cu Dy2 O24 -","- C20 H32 Cu Dy2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.023","0.0211","","","0.0555","0.0566","","","","","","1.048","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228060","7.0117","0.0005","10.8073","0.0009","11.6598","0.0009","108.747","0.002","100.358","0.002","99.018","0.002","800.92","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu La2 O24 -","- C20 H28 Cu La2 O24 -","- C20 H28 Cu La2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0204","0.0188","","","0.0513","0.0526","","","","","","1.041","","","","has coordinates,has disorder","195397","2020-10-21","18:00:00",""
"7228061","6.9675","0.0008","10.6078","0.0012","11.4879","0.0013","109.198","0.003","100.025","0.003","98.983","0.003","768.54","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu Gd2 O24 -","- C20 H32 Cu Gd2 O24 -","- C20 H32 Cu Gd2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0234","0.0228","","","0.0618","0.0622","","","","","","1.062","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228062","6.963","0.0004","10.5852","0.0005","11.4644","0.0006","109.296","0.002","99.958","0.002","98.927","0.002","764.74","0.07","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu O24 Tb2 -","- C20 H32 Cu O24 Tb2 -","- C20 H32 Cu O24 Tb2 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0238","0.0229","","","0.0616","0.0622","","","","","","1.05","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228063","11.86816","0.00016","11.86816","0.00016","11.6198","0.0002","90","","90","","90","","1636.69","0.04","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Cl2 N8 O4 -","- C31 H32 Cl2 N8 O4 -","- C62 H64 Cl4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0713","0.0706","","0.194","0.194","0.194","","","","","","1.0673","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228064","11.6729","0.0015","11.8954","0.0009","26.963","0.002","101.982","0.007","91.167","0.008","90.664","0.008","3661.1","0.6","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C30.5 H39 N12 O14 -","- C30.5 H39 N12 O14 -","- C122 H156 N48 O56 -","4","2","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1618","0.1386","","0.3474","0.3309","0.3474","","","","","","0.9703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228065","12.07173","0.00018","12.07173","0.00018","11.3545","0.0003","90","","90","","90","","1654.65","0.06","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Br2 N8 O4 -","- C31 H32 Br2 N8 O4 -","- C62 H64 Br4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0754","0.0735","","0.188","0.1877","0.188","","","","","","1.0299","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228066","13.3818","0.0003","7.1209","0.0001","21.9744","0.0004","90","","95.8782","0.0019","90","","2082.94","0.07","150","","150","","","","","","","","synthesized","4","P 1 2/n 1","-P 2yac","13","","","","- C29 H32 Br4 N8 -","- C29 H32 Br4 N8 -","- C58 H64 Br8 N16 -","2","0.5","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0417","0.0386","","0.1014","0.0974","0.1014","","","","","","0.9495","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228067","11.7352","0.0002","11.7352","0.0002","25.3812","0.0013","90","","90","","90","","3495.4","0.2","150","","150","","","","","","","","synthesized","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H32 Cl4 N8 -","- C29 H32 Cl4 N8 -","- C116 H128 Cl16 N32 -","4","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1458","0.144","","0.2419","0.2413","0.2419","","","","","","1.0381","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228068","18.8984","0.0018","17.7031","0.0018","14.4754","0.0014","90","","96.602","0.002","90","","4810.8","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H15 N6 O11 Zn2 -","- C26 H10 N6 O11 Zn2 -","- C104 H40 N24 O44 Zn8 -","4","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.71073","MoKα","","0.0452","0.038","","","0.0927","0.0954","","","","","","1.003","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228069","31.855","0.011","17.268","0.003","30.293","0.014","90","","116.25","0.03","90","","14945","10","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.8","synchrotron","","0.1365","0.1079","","","0.3065","0.3357","","","","","","0.982","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228070","10.449","0.002","10.526","0.002","10.759","0.002","78.55","0.002","75.968","0.002","72.67","0.002","1085.7","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 As2 Cu Mo6 N8 O30 -","- C24 H30 As2 Cu Mo6 N8 O30 -","- C24 H30 As2 Cu Mo6 N8 O30 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0411","0.0393","","","0.1003","0.102","","","","","","1.117","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228071","10.253","0.002","10.694","0.003","11.38","0.003","85.068","0.002","88.477","0.002","67.518","0.002","1148.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 As Cu Mo3 N3 O15 -","- C15 H14 As Cu Mo3 N3 O15 -","- C30 H28 As2 Cu2 Mo6 N6 O30 -","2","1","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0533","0.052","","","0.1594","0.1602","","","","","","1.085","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228072","12.5599","0.0015","12.7481","0.0015","13.367","0.0016","99.749","0.001","105.537","0.001","111.878","0.001","1824.8","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H66 As2 Cu2 Mo6 N24 O27 -","- C40 H64 As2 Cu2 Mo6 N24 O27 -","- C40 H64 As2 Cu2 Mo6 N24 O27 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0423","0.0385","","","0.1044","0.1075","","","","","","1.069","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228073","10.8652","0.0005","11.969","0.0006","13.1751","0.0006","115.495","0.001","100.719","0.001","99.261","0.001","1462.36","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 As2 Cu Mo6 N12 O28 -","- C42 H46 As2 Cu Mo6 N12 O28 -","- C42 H46 As2 Cu Mo6 N12 O28 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0333","0.0313","","","0.0766","0.0775","","","","","","1.196","","","","has coordinates,has disorder","195438","2020-10-21","18:00:00",""
"7228074","8.8989","0.001","16.3552","0.0019","24.297","0.003","90","","94.832","0.001","90","","3523.7","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 As Cu Mo3 N6 O15 -","- C30 H25 As Cu Mo3 N6 O15 -","- C120 H100 As4 Cu4 Mo12 N24 O60 -","4","1","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0499","0.0391","","","0.0867","0.0946","","","","","","1.044","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228075","11.0544","0.0009","11.9897","0.001","12.6353","0.001","109.081","0.001","103.561","0.001","109.228","0.001","1380.2","0.2","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0349","0.028","","","0.0635","0.0664","","","","","","1.073","","","","has coordinates,has disorder","195438","2020-10-21","18:00:00",""
"7228076","8.401","0.0017","9.3598","0.0019","20.446","0.004","86.38","0.03","82.42","0.03","81.59","0.03","1574.9","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Ag2 N4 O6 -","- C36 H30 Ag2 N4 O6 -","- C72 H60 Ag4 N8 O12 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0752","0.0497","","","0.0946","0.1048","","","","","","1.087","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228077","9.2988","0.0019","10.402","0.002","10.241","0.002","90","","96.58","0.03","90","","984","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0722","0.0502","","","0.1217","0.1338","","","","","","1.032","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228078","12.112","0.002","16.437","0.003","19.547","0.004","90","","90","","90","","3891.5","1.2","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0702","0.0505","","","0.1226","0.1425","","","","","","1.034","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228079","7.3773","0.0015","5.741","0.0011","12.67","0.004","90","","115.92","0.02","90","","482.6","0.2","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0598","0.0458","","","0.1115","0.1252","","","","","","1.069","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228080","13.855","0.003","11.031","0.002","14.277","0.003","90","","111.23","0.03","90","","2033.9","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C96 H68 N8 O18 Zn4 -","2","0.5","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0861","0.055","","","0.1101","0.1217","","","","","","1.083","","","","has coordinates,has disorder","195439","2020-10-21","18:00:00",""
"7228081","8.356","0.01","11.971","0.014","14.109","0.016","90","","103.52","0.012","90","","1372","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B7 Cs2 H5 O14 -","- B7 Cs2 H5 O14 -","- B28 Cs8 H20 O56 -","4","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0635","0.0374","","","0.0499","0.0548","","","","","","1.03","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228082","7.1742","0.0003","7.8472","0.0004","8.9702","0.0004","68.551","0.002","88.368","0.002","74.877","0.002","452.49","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0273","0.0256","","","0.0727","0.0743","","","","","","1.088","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228083","11.15","0.003","13.064","0.003","16.411","0.004","90","","90","","90","","2390.5","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B4 H11.25 K2 O12.63 -","- B4 H11.2 K2 O12.6 -","- B32 H89.6 K16 O100.8 -","8","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0683","0.0526","","","0.1539","0.167","","","","","","1.047","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228086","17.764","0.003","17.764","0.003","17.822","0.004","90","","90","","90","","5623.9","1.8","298","2","298","2","","","","","","","","3","I 41/a m d","-I 4bd 2","141","","","","- Ge13 Ir4 Lu3 -","- Ge13 Ir4 Lu3 -","- Ge208 Ir64 Lu48 -","16","","","Oswald, Iain W.H.; Rai, Binod K.; McCandless, Gregory T.; Morosan, Emilia; Chan, Julia","The Proof is in the Powder: Revealing Structural Peculiarities in the Yb3Rh4Sn13 Structure Type","CrystEngComm","2017","","","","","10.1039/C7CE00419B","","","0.71073","MoKα","","0.0582","0.0389","","","0.0949","0.1093","","","","","","1.147","","","","has coordinates","195530","2020-10-21","18:00:00",""
"7228088","21.166","0.0011","12.4814","0.0006","19.9503","0.0011","90","","90.87","0.001","90","","5269.9","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H38 Cd N12 Nb6 O47 P4 -","- C4 H24 Cd N12 Nb6 O47 P4 -","- C16 H96 Cd4 N48 Nb24 O188 P16 -","4","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0284","0.0265","","","0.0765","0.0777","","","","","","1.063","","","","has coordinates","195610","2020-10-21","18:00:00",""
"7228089","11.1233","0.0007","20.126","0.0012","12.3589","0.0008","90","","115.745","0.001","90","","2492.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H44 N18 Nb6 O40 P4 -","- C6 H36 N18 Nb6 O40 P4 -","- C12 H72 N36 Nb12 O80 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0417","0.0401","","","0.097","0.0978","","","","","","1.206","","","","has coordinates","195610","2020-10-21","18:00:00",""
"7228090","10.6885","0.0007","20.217","0.0015","10.73","0.0007","90","","110.399","0.001","90","","2173.2","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H28 Nb6 Ni2 O50 P4 -","- Cs3 Nb6 Ni2 O50 P4 -","- Cs6 Nb12 Ni4 O100 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.1077","0.0902","","","0.2388","0.2651","","","","","","1.015","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228091","10.455","0.003","20.296","0.005","10.704","0.003","90","","108.406","0.004","90","","2155.1","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Cs3 H28 Nb6 O50 P4 -","- Co2 Cs3 Nb6 O50 P4 -","- Co4 Cs6 Nb12 O100 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0738","0.0677","","","0.172","0.1781","","","","","","1.041","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228092","10.558","0.004","20.153","0.007","10.614","0.004","90","","109.375","0.005","90","","2130.5","1.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H28 Nb6 O50 P4 Zn2 -","- Cs3 Nb6 O49.5 P4 Zn2 -","- Cs6 Nb12 O99 P8 Zn4 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0609","0.0558","","","0.1476","0.1528","","","","","","1.035","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228093","10.4234","0.0004","10.975","0.0005","13.5568","0.0006","72.143","0.001","72.44","0.001","72.853","0.001","1371.94","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cd2 Cs3 H40 Nb6 O56 P4 -","- Cd2 Cs3 Nb6 O56 P4 -","- Cd2 Cs3 Nb6 O56 P4 -","1","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0516","0.0478","","","0.1264","0.1299","","","","","","1.027","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228111","7.4417","0.0007","5.7471","0.0006","18.9993","0.0019","90","","101.045","0.005","90","","797.51","0.14","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo 3-nitrobenzoic acid","","- C7 H4 Br N O4 -","- C7 H4 Br N O4 -","- C28 H16 Br4 N4 O16 -","4","1","","Singaraju, Aditya B.; Nguyen, Kyle; Swenson, Dale C.; Iyer, Mamta; Haware, Rahul V.; Stevens, Lewis L.","Reorganized, weak C‒H⋯O interactions directly modify the mechanical properties and compaction performance of a series of nitrobenzoic acids","CrystEngComm","2017","","","","","10.1039/C7CE00238F","","","0.71073","MoKα","","0.0183","0.0163","","","0.0378","0.0384","","","","","","1.066","","","","has coordinates,has disorder","195767","2020-10-21","18:00:00",""
"7228112","7.4313","0.0003","21.1153","0.0006","10.3853","0.0004","90","","99.921","0.001","90","","1605.23","0.1","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl 3-nitrobenzoic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","2","","Singaraju, Aditya B.; Nguyen, Kyle; Swenson, Dale C.; Iyer, Mamta; Haware, Rahul V.; Stevens, Lewis L.","Reorganized, weak C‒H⋯O interactions directly modify the mechanical properties and compaction performance of a series of nitrobenzoic acids","CrystEngComm","2017","","","","","10.1039/C7CE00238F","","","0.71073","MoKα","","0.0473","0.0375","","","0.1033","0.1121","","","","","","1.061","","","","has coordinates,has disorder","195767","2020-10-21","18:00:00",""
"7228115","26.9768","0.0015","26.9768","0.0015","39.206","0.003","90","","90","","90","","28532","3","296","2","296","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C117 H178 Cu6 N30 O50 -","- C55 H30 Cu6 N9 O30 -","- C440 H240 Cu48 N72 O240 -","8","0.5","","Liu, Zhen; Lv, Lingzhi; He, Yabing; Feng, YunLong","An Anionic Metal-Organic Framework Constructed from a Triazole-Functionalized Diisophthalate Featuring Hierarchical Cages for Selective Adsorptive C2H2/CH4 and CO2/CH4 Separation","CrystEngComm","2017","","","","","10.1039/C7CE00661F","","","0.71073","MoKα","","0.1119","0.0576","","","0.1436","0.1583","","","","","","1.083","","","","has coordinates","195796","2020-10-21","18:00:00",""
"7228121","15.1394","0.0005","29.9418","0.0009","26.9456","0.0006","90","","97.628","0.002","90","","12106.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N4 O3 -","- C20 H18 Cl2 N4 O3 -","- C480 H432 Cl48 N96 O72 -","24","6","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0876","0.0628","","","0.1575","0.1737","","","","","","1.031","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228122","11.6186","0.0005","12.339","0.0008","12.5559","0.0007","68.926","0.006","85.447","0.004","88.975","0.004","1674.24","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl4 N6 O4 -","- C34 H30 Cl4 N6 O4 -","- C68 H60 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0622","0.0511","","","0.1539","0.1581","","","","","","1.047","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228123","11.1266","0.0005","22.3945","0.001","8.5821","0.0005","90","","106.718","0.006","90","","2048.05","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C80 H64 Cl8 N16 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0692","0.0499","","","0.1045","0.1105","","","","","","1.033","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228124","20.6918","0.0006","4.61421","0.00012","20.1099","0.0005","90","","90.673","0.002","90","","1919.89","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N4 O3 -","- C21 H16 Cl2 N4 O3 -","- C84 H64 Cl8 N16 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","K-L~3~","0.0578","0.0532","","","0.1516","0.1569","","","","","","1.069","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228125","14.1417","0.0006","21.6532","0.0008","7.6525","0.0003","90","","102.654","0.004","90","","2286.38","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","L3-79-B","","- C23 H20 Cl2 N8 O2 -","- C23 H20 Cl2 N8 O2 -","- C92 H80 Cl8 N32 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0815","0.0582","","","0.1054","0.113","","","","","","1.138","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228126","10.3787","0.0007","11.8719","0.0009","14.0409","0.0008","105.139","0.006","91.651","0.005","91.906","0.006","1667.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Cl4 N6 O4 -","- C33 H24 Cl4 N6 O4 -","- C66 H48 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.083","0.0717","","","0.2024","0.2092","","","","","","1.076","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228127","19.3743","0.001","4.7313","0.0002","14.677","0.0007","90","","91.886","0.004","90","","1344.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C60 H40 Cl8 N8 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0842","0.06","","","0.1318","0.1439","","","","","","1.11","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228128","32.6725","0.0011","26.2388","0.0013","8.6827","0.0003","90","","93.879","0.003","90","","7426.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Cl4 N6 O4 -","- C40 H28 Cl4 N6 O4 -","- C320 H224 Cl32 N48 O32 -","8","2","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.1561","0.0758","","","0.1516","0.174","","","","","","0.975","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228129","16.8612","0.0005","10.8847","0.0003","39.3807","0.0011","90","","101.781","0.003","90","","7075.3","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H39 Cl3 F N3 O7 -","- C36 H39 Cl3 F N3 O7 -","- C288 H312 Cl24 F8 N24 O56 -","8","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0634","0.0478","","","0.1043","0.1109","","","","","","1.024","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228130","10.9724","0.0003","13.1874","0.0003","8.8415","0.0003","90","","109.768","0.003","90","","1203.95","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H24 Cl2 N4 O4 -","- C24 H24 Cl2 N4 O4 -","- C48 H48 Cl4 N8 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0335","0.0322","","","0.082","0.083","","","","","","1.052","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228131","10.0605","0.0005","11.0252","0.0006","16.3298","0.001","88.224","0.004","76.212","0.005","84.969","0.004","1752.22","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl4 N8 O4 -","- C36 H28 Cl4 N8 O4 -","- C72 H56 Cl8 N16 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","K-L~3~","0.0833","0.0553","","","0.1378","0.1521","","","","","","1.042","","","","has coordinates,has disorder","204140","2020-10-21","18:00:00",""
"7228132","18.3534","0.0008","10.1","0.0003","11.0376","0.0004","90","","99.146","0.004","90","","2020.02","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 N3 O3 -","- C22 H17 Cl2 N3 O3 -","- C88 H68 Cl8 N12 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0558","0.0424","","","0.1068","0.1143","","","","","","1.024","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228133","12.991","0.0003","7.6724","0.0002","19.8344","0.0005","90","","97.409","0.002","90","","1960.43","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 O3 -","- C21 H16 Cl2 N4 O3 -","- C84 H64 Cl8 N16 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0453","0.0393","","","0.0926","0.0967","","","","","","1.048","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228134","7.0752","0.0004","8.175","0.0004","16.8057","0.001","99.416","0.005","100.168","0.005","94.778","0.005","937.56","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl2 N8 O2 -","- C18 H16 Cl2 N8 O2 -","- C36 H32 Cl4 N16 O4 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0406","0.036","","","0.0892","0.0921","","","","","","1.041","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228135","8.5711","0.0002","12.3681","0.0004","16.627","0.0005","79.963","0.003","81.329","0.002","84.947","0.003","1712.32","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Cl4 N6 O4 -","- C37 H30 Cl4 N6 O4 -","- C74 H60 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0611","0.0466","","","0.0994","0.1056","","","","","","1.048","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228136","13.0507","0.0002","9.033","0.0002","19.0712","0.0004","90","","99.214","0.002","90","","2219.24","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N4 O4 -","- C22 H24 Cl2 N4 O4 -","- C88 H96 Cl8 N16 O16 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0357","0.0322","","","0.0822","0.0846","","","","","","1.058","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228137","7.77896","0.00016","31.5718","0.0007","7.72521","0.00016","90","","97.1388","0.0019","90","","1882.57","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl2 N7 O2 -","- C19 H17 Cl2 N7 O2 -","- C76 H68 Cl8 N28 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0424","0.0419","","","0.0965","0.0967","","","","","","1.185","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228147","15.889","0.002","14.854","0.002","22.217","0.003","90","","90","","90","","5243.5","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F3 N5 O4 S -","- C26 H24 F3 N5 O4 S -","- C208 H192 F24 N40 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.1031","0.0671","","","0.197","0.2242","","","","","","1.024","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228148","8.0233","0.0013","14.923","0.003","15.703","0.003","90","","97.694","0.004","90","","1863.2","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0677","0.0506","","","0.1078","0.1152","","","","","","1.027","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228149","15.84","0.002","14.613","0.002","21.829","0.003","90","","90","","90","","5052.8","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H23 F3 N6 O4 S -","- C25 H23 F3 N6 O4 S -","- C200 H184 F24 N48 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0622","0.0475","","","0.1153","0.1226","","","","","","1.042","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228150","8.0883","0.0015","8.2003","0.0016","11.818","0.002","108.255","0.003","94.274","0.005","104.221","0.003","711.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N4 O3 S -","- C12 H16 N4 O3 S -","- C24 H32 N8 O6 S2 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.066","0.064","","","0.1905","0.1972","","","","","","1.091","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228151","6.2696","0.0012","13.417","0.003","19.801","0.004","90","","94.89","0.004","90","","1659.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N5 O2 S -","- C14 H19 N5 O2 S -","- C56 H76 N20 O8 S4 -","4","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.067","0.0541","","","0.1365","0.1424","","","","","","1.095","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228152","7.871","0.002","9.438","0.003","12.417","0.004","101.99","0.006","103.624","0.007","103.701","0.006","836.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O2 S -","- C16 H18 N6 O2 S -","- C32 H36 N12 O4 S2 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0808","0.0613","","","0.1668","0.2067","","","","","","1.053","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228153","5.9301","0.0009","13.886","0.002","18.557","0.003","86.989","0.003","81.358","0.003","82.556","0.003","1497.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N10 O4 S2 -","- C26 H34 N10 O4 S2 -","- C52 H68 N20 O8 S4 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0699","0.0506","","","0.1468","0.185","","","","","","1.019","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228154","10.2001","0.0018","11.201","0.002","15.778","0.003","106.698","0.003","91.809","0.003","101.329","0.004","1685.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N5 O3.5 S -","- C15 H18 N5 O3.5 S -","- C60 H72 N20 O14 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0813","0.0526","","","0.1222","0.1447","","","","","","1.002","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228155","9.946","0.0004","10.7","0.0005","10.84","0.0005","97.035","0.001","99.139","0.001","116.083","0.001","998.63","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H36 Mn2 Mo6 N4 O36 Te -","- C14 H36 Mn2 Mo6 N4 O36 Te -","- C14 H36 Mn2 Mo6 N4 O36 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71069","MoKα","","0.0276","0.024","","","0.0622","0.0642","","","","","","0.998","","","","has coordinates","195862","2020-10-21","18:00:00",""
"7228156","7.106","0.0013","11.066","0.002","13.489","0.002","86.196","0.003","79.701","0.003","89.749","0.003","1041.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 Cr Mn2 Mo6 N14 O28 -","- C18 H20 Cr Mn2 Mo6 N14 O28 -","- C18 H20 Cr Mn2 Mo6 N14 O28 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71069","MoKα","","0.0392","0.0359","","","0.1043","0.1065","","","","","","1.003","","","","has coordinates","195862","2020-10-21","18:00:00",""
"7228157","7.0352","0.0016","11.367","0.003","21.063","0.005","88.386","0.004","89.989","0.005","77.187","0.004","1641.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H23 Cr Mn Mo6 N4 O27 -","- C14 H17 Cr Mn Mo6 N4 O27 -","- C28 H34 Cr2 Mn2 Mo12 N8 O54 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71073","MoKα","","0.1056","0.0928","","","0.2328","0.2389","","","","","","1.071","","","","has coordinates,has disorder","195862","2020-10-21","18:00:00",""
"7228161","4.1254","0.0001","10.6052","0.0003","11.9696","0.0003","90","","96.02","0.002","90","","520.79","0.02","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0316","0.0268","","","0.0739","0.0772","","","","","","1.032","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228162","3.8613","0.0001","11.4201","0.0002","16.0731","0.0003","90","","95.936","0.001","90","","704.97","0.03","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N -","- C7 H3 Cl2 N -","- C28 H12 Cl8 N4 -","4","1","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.028","0.0238","","","0.0623","0.065","","","","","","1.075","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228163","13.4092","0.0004","6.7578","0.0002","7.9577","0.0002","90","","90","","90","","721.1","0.04","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H2 Cl2 I N -","- C5 H2 Cl2 I N -","- C20 H8 Cl8 I4 N4 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0168","0.0149","","","0.0352","0.0359","","","","","","1.095","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228164","14.8774","0.0003","6.7419","0.0002","6.1893","0.0001","90","","90","","90","","620.8","0.02","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H2 Cl I N2 -","- C4 H2 Cl I N2 -","- C16 H8 Cl4 I4 N8 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0234","0.0188","","","0.0463","0.0488","","","","","","1.152","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228168","15.1696","0.0016","16.2061","0.0017","5.6087","0.0006","90","","90","","90","","1378.8","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Co(B-Bn)2","","","- C34 H32 Co N2 O2 -","- C34 H32 Co N2 O2 -","- C68 H64 Co2 N4 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.029","0.0263","","","0.0658","0.0671","","","","","","1.054","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228169","7.516","0.0005","12.6431","0.0009","13.1097","0.0014","118.47","0.002","101.607","0.002","95.514","0.002","1045.7","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ni(B-Et)2","","","- C24 H28 N2 Ni O2 -","- C24 H28 N2 Ni O2 -","- C48 H56 N4 Ni2 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0311","0.022","","","0.066","0.068","","","","","","1.089","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228170","12.813","0.002","7.2285","0.0013","23.157","0.004","90","","90.407","0.002","90","","2144.7","0.6","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu(B-Et)2","","","- C24 H28 Cu N2 O2 -","- C24 H28 Cu N2 O2 -","- C96 H112 Cu4 N8 O8 -","4","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0519","0.0383","","","0.099","0.1077","","","","","","1.041","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228171","9.509","0.005","9.826","0.005","12.281","0.006","87.621","0.008","70.731","0.007","74.265","0.008","1041.2","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ni(B-Et)2","","","- C24 H28 N2 Ni O2 -","- C24 H28 N2 Ni O2 -","- C48 H56 N4 Ni2 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.043","0.0368","","","0.102","0.1059","","","","","","1.092","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228172","13.8756","0.0012","14.6124","0.0013","14.7723","0.0013","90","","112.421","0.001","90","","2768.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","beta Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C136 H128 N8 O8 Zn4 -","4","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0441","0.0359","","","0.0915","0.0961","","","","","","1.047","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228173","7.5225","0.0003","25.9549","0.0012","6.9974","0.0003","90","","98.533","0.001","90","","1351.09","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(B-Bn)2","","","- C34 H32 N2 Ni O2 -","- C34 H32 N2 Ni O2 -","- C68 H64 N4 Ni2 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0362","0.033","","","0.095","0.0971","","","","","","1.058","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228174","12.6021","0.0017","13.2685","0.0018","14.856","0.002","102.934","0.002","94.203","0.002","117.933","0.0018","2092.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Co(B-Et)2","","","- C24 H28 Co N2 O2 -","- C24 H28 Co N2 O2 -","- C96 H112 Co4 N8 O8 -","4","2","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0798","0.0478","","","0.1093","0.1249","","","","","","1.039","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228175","7.3939","0.001","12.6055","0.0017","13.2996","0.0018","116.469","0.002","105.648","0.002","93.28","0.002","1045.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Zn(B-Et)2","","","- C24 H28 N2 O2 Zn -","- C24 H28 N2 O2 Zn -","- C48 H56 N4 O4 Zn2 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0702","0.0452","","","0.1032","0.1188","","","","","","1.038","","","","has coordinates,has disorder","195948","2020-10-21","18:00:00",""
"7228176","9.4162","0.0007","10.2399","0.0008","14.8195","0.0011","90","","106.669","0.001","90","","1368.86","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(B-Bn)2","","","- C34 H32 Cu N2 O2 -","- C34 H32 Cu N2 O2 -","- C68 H64 Cu2 N4 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.039","0.0332","","","0.0718","0.0746","","","","","","1.003","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228177","15.2491","0.0019","16.231","0.002","5.5977","0.0007","90","","90","","90","","1385.5","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","alpha-Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C68 H64 N4 O4 Zn2 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0234","0.0226","","","0.0653","0.0656","","","","","","1.115","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228178","14.2","0.002","14.2","0.002","17.207","0.003","90","","90","","90","","3469.6","0.9","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H32 N8 O11 Sr -","- C28 H32 N8 O11 Sr -","- C112 H128 N32 O44 Sr4 -","4","0.5","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0834","0.0536","","","0.1314","0.1457","","","","","","1.061","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228179","8.86","0.005","11.293","0.006","12.717","0.006","90","","100.088","0.007","90","","1252.7","1.1","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H20 Ca2 N6 O11 -","- C22 H20 Ca2 N6 O11 -","- C44 H40 Ca4 N12 O22 -","2","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0392","0.0363","","","0.0874","0.0903","","","","","","1.088","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228180","14.991","0.005","6.826","0.003","25.261","0.009","90","","90","","90","","2584.9","1.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H18 Ca2 N6 O10 -","- C22 H18 Ca2 N6 O10 -","- C88 H72 Ca8 N24 O40 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1605","0.1244","","","0.2848","0.3064","","","","","","1.089","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228181","13.996","0.003","7.1157","0.0018","13.539","0.003","90","","112.205","0.004","90","","1248.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ba N3 O5 -","- C11 H9 Ba N3 O5 -","- C44 H36 Ba4 N12 O20 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0428","0.0329","","","0.0787","0.0856","","","","","","1.022","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228182","14.696","0.006","6.854","0.003","13","0.006","90","","112.606","0.007","90","","1208.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O5 Sr -","- C11 H9 N3 O5 Sr -","- C44 H36 N12 O20 Sr4 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0573","0.0402","","","0.0899","0.0974","","","","","","1.02","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228183","19.642","0.005","19.642","0.005","49.236","0.015","90","","90","","120","","16451","8","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H78 Mg10 N18 O61 S -","- C66 H78 Mg10 N18 O61.0002 S -","- C396 H468 Mg60 N108 O366.001 S6 -","6","0.333333","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1893","0.114","","","0.2866","0.3394","","","","","","1.097","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228184","14.589","0.003","7.0523","0.0016","13.358","0.003","90","","113.582","0.003","90","","1259.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ba N3 O5 -","- C11 H9 Ba N3 O5 -","- C44 H36 Ba4 N12 O20 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0505","0.0385","","","0.0935","0.1019","","","","","","1.045","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228185","12.4443","0.0006","13.9144","0.0007","8.8461","0.0003","90","","97.272","0.003","90","","1519.43","0.12","453","","453","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Mn N3 O4 S -","- C13 H8 Mn N3 O4 S -","- C52 H32 Mn4 N12 O16 S4 -","4","1","","Matoga, Dariusz; Roztocki, Kornel; Wilke, Manuel; Emmerling, Franziska; Oszajca, Marcin; Fitta, Magdalena; Bałanda, Maria","Crystalline Bilayers Unzipped and Rezipped: Solid-State Reaction Cycle of a Metal-Organic Framework with Triple Rearrangement of Intralayer Bonds","CrystEngComm","2017","","","","","10.1039/C7CE00655A","powder diffraction","x-ray","1.5418","","","0.0847","0.0748","","0.0749","0.0741","","","","4.36","","","","","","","has coordinates","195950","2020-10-21","18:00:00",""
"7228186","10.252","0.003","10.457","0.003","19.169","0.005","77.39","0.05","75.51","0.04","65.29","0.05","1792.3","1.2","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H30 Ag1.5 N2.5 O2 P2 Re -","- C40.5 H30 Ag1.5 N2.5 O2 P2 Re -","- C81 H60 Ag3 N5 O4 P4 Re2 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.1139","0.0624","","","0.0814","0.0931","","","","","","1.014","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228187","12.864","0.004","14.241","0.004","15.442","0.005","93.85","0.03","107.03","0.03","110.46","0.03","2488.5","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H90 Ag2 N4 O4 P6 Re2 -","- C116 H90 Ag2 N4 O4 P6 Re2 -","- C116 H90 Ag2 N4 O4 P6 Re2 -","1","0.5","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0838","0.0531","","","0.0706","0.0787","","","","","","1.018","","","","has coordinates","195951","2020-10-21","18:00:00",""
"7228188","12.157","0.003","18.455","0.005","18.44","0.005","78.16","0.03","75.56","0.03","73.82","0.03","3806.6","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C168 H140 Ag4 N8 O10 P8 Re4 -","- C168 H140 Ag4 N8 O10 P8 Re4 -","- C168 H140 Ag4 N8 O10 P8 Re4 -","1","0.5","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.184","0.0861","","","0.137","0.177","","","","","","0.925","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228189","12.224","0.002","18.438","0.005","35.881","0.009","83.4","0.03","89.05","0.03","71.89","0.03","7634","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H128 Ag4 N10 O9 P8 Re4 -","- C164 H126 Ag4 N10 O9 P8 Re4 -","- C328 H252 Ag8 N20 O18 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0676","0.0478","","","0.1201","0.1263","","","","","","1.069","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228190","12.252","0.003","18.571","0.005","35.873","0.01","83.68","0.03","88.96","0.03","72.12","0.03","7720","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H141.5 Ag4 N8 O13.75 P8 Re4 -","- C165 H141.5 Ag4 N8 O13.75 P8 Re4 -","- C330 H283 Ag8 N16 O27.5 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0465","0.0402","","","0.099","0.1046","","","","","","0.97","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228191","12.275","0.002","18.433","0.005","36.135","0.009","82.79","0.03","88.71","0.03","72.06","0.03","7716","3","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C169 H138 Ag4 N8 O11 P8 Re4 -","- C169 H138 Ag4 N8 O11 P8 Re4 -","- C338 H276 Ag8 N16 O22 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.2192","0.0925","","","0.1054","0.1376","","","","","","0.918","","","","has coordinates","195951","2020-10-21","18:00:00",""
"7228192","12.282","0.002","18.475","0.004","35.979","0.008","83.56","0.03","89.19","0.03","72.42","0.03","7732","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C170 H150 Ag4 N8 O13 P8 Re4 -","- C170 H150 Ag4 N8 O13 P8 Re4 -","- C340 H300 Ag8 N16 O26 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0409","0.0347","","","0.0914","0.0942","","","","","","0.907","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228203","13.946","0.003","14.296","0.003","26.749","0.005","81.29","0.03","77.99","0.03","81.78","0.03","5121.7","1.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C226 H212 B2 Cl4 Cu6 F8 N8 O8 P12 -","2","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0558","0.0386","","","0.1029","0.1147","","","","","","1.014","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228204","19.431","0.004","20.455","0.004","25.426","0.005","90","","91.9","0.03","90","","10100","3","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C109 H98 Cu3 F N4 O3 P6 -","- C109 H98 Cu3 F N4 O3 P6 -","- C436 H392 Cu12 F4 N16 O12 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0916","0.0519","","","0.1371","0.1536","","","","","","1.05","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228205","27.9483","0.0003","21.5782","0.0002","36.4721","0.0004","90","","90","","90","","21995.4","0.4","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C113 H104 Cu3 N5 O5 P6 -","- C113 H104 Cu3 N5 O5 P6 -","- C904 H832 Cu24 N40 O40 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","1.54178","CuKα","","0.0551","0.0464","","","0.1171","0.1247","","","","","","1.036","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228206","20.044","0.004","26.268","0.005","20.139","0.004","90","","96.56","0.03","90","","10534","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H86 Cu3 F7 N4 O2 P6 -","- C107 H86 Cu3 F7 N4 O2 P6 -","- C428 H344 Cu12 F28 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1597","0.0725","","","0.1813","0.2115","","","","","","1.015","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228207","17.551","0.004","30.505","0.006","19.142","0.004","90","","94.84","0.03","90","","10212","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H86 Cu3 F N6 O6 P6 -","- C105 H86 Cu3 F N6 O6 P6 -","- C420 H344 Cu12 F4 N24 O24 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0965","0.0514","","","0.1195","0.1453","","","","","","1.008","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228208","47.4995","0.0014","15.3047","0.0004","29.9249","0.0009","90","","107.656","0.001","90","","20729.6","1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C856 H736 B4 Cu24 F24 N32 O32 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0944","0.0613","","","0.1719","0.1883","","","","","","1.061","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228209","13.861","0.003","33.095","0.007","22.888","0.005","90","","107.6","0.03","90","","10008","4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C452 H416 B4 Cu12 F16 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1188","0.0559","","","0.1238","0.1519","","","","","","1.015","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228210","14.71","0.003","21.288","0.004","19.399","0.004","90","","110.49","0.03","90","","5690","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C113 H104 Cu3 F N4 O2 P6 -","- C114 H104 Cu3 F N4 O2 P6 -","- C228 H208 Cu6 F2 N8 O4 P12 -","2","0.5","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0843","0.0649","","","0.205","0.2199","","","","","","1.208","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228211","21.838","0.003","21.838","0.003","14.721","0.003","90","","90","","90","","7020","2","100","2","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H22 Cd N4 O9 -","- C30 H22 Cd N4 O9 -","- C240 H176 Cd8 N32 O72 -","8","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0239","0.0235","","","0.0622","0.0624","","","","","","1.105","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228212","9.166","0.0018","21.819","0.004","11.505","0.002","90","","96.39","0.03","90","","2286.6","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H36 Mn N6 O16 -","- C52 H36 Mn N6 O16 -","- C104 H72 Mn2 N12 O32 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0574","0.0481","","","0.1165","0.1219","","","","","","1.046","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228213","11.947","0.002","13.534","0.003","14.618","0.003","81.85","0.03","66.46","0.03","89.84","0.03","2141.2","0.9","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.11","0.09","","","0.2242","0.2444","","","","","","1.051","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228214","18.324","0.004","23.774","0.005","14.04","0.003","90","","90","","90","","6116","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C105 H95 Mn4 N15 O39 -","- C105 H95 Mn4 N15 O39 -","- C210 H190 Mn8 N30 O78 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0653","0.0581","","","0.1671","0.1768","","","","","","1.044","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228215","8.302","0.0017","14.375","0.003","17.195","0.003","66.8","0.03","88.82","0.03","78.25","0.03","1842.6","0.8","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0427","0.0419","","","0.1157","0.1165","","","","","","1.093","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228216","17.345","0.004","22.362","0.005","13.817","0.003","90","","90","","90","","5359","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.3 H42.3 N8 O17 Zn2 -","- C60.3 H42.3 N8 O17 Zn2 -","- C241.2 H169.2 N32 O68 Zn8 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0656","0.0617","","","0.175","0.1795","","","","","","1.041","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228217","18.674","0.004","23.894","0.005","14.086","0.003","90","","90","","90","","6285","2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H88 Cd4 N14 O38 -","- C102 H88 Cd4 N14 O38 -","- C204 H176 Cd8 N28 O76 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0499","0.0417","","","0.1112","0.1167","","","","","","1.035","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228218","16.984","0.002","16.984","0.002","21.78","0.004","90","","90","","90","","6282.6","1.6","100","","100","","","","","","","","","5","P 42","P 4c","77","","","","- C59 H55 Cd2 N9 O20 -","- C59 H55 Cd2 N9 O20 -","- C236 H220 Cd8 N36 O80 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.1415","0.0883","","","0.261","0.3085","","","","","","1.048","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228219","15.369","0.003","17.967","0.004","18.47","0.004","90","","107.96","0.03","90","","4852","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H48 Cd2 N12 O24 -","- C88 H48 Cd2 N12 O24 -","- C176 H96 Cd4 N24 O48 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0552","0.0488","","","0.1355","0.1402","","","","","","1.062","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228220","6.468","0.0013","7.7544","0.0016","8.6026","0.0017","97.267","0.017","109.253","0.018","96.531","0.017","398.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0572","0.0401","","","0.0809","0.0841","","","","","","0.941","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228221","6.2433","0.0004","8.0884","0.0006","8.6219","0.0007","71.541","0.007","79.573","0.006","85.986","0.006","406.13","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0475","0.0412","","","0.0935","0.0985","","","","","","1.067","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228222","10.8252","0.001","7.7396","0.0003","15.366","0.0006","90","","95.439","0.005","90","","1281.61","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 Ni O10 S2 -","- C22 H30 N4 Ni O10 S2 -","- C44 H60 N8 Ni2 O20 S4 -","2","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.038","0.0323","","","0.0827","0.087","","","","","","1.062","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228223","6.2388","0.0002","8.1434","0.0002","8.6344","0.0003","71.421","0.003","79.6","0.003","85.781","0.002","408.92","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0865","","","","","","1.065","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228224","24.3213","0.0008","6.2222","0.0003","16.8774","0.0008","90","","93.894","0.004","90","","2548.19","0.19","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1106","0.0638","","","0.1479","0.1716","","","","","","1.018","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228225","24.2843","0.0007","6.21701","0.00019","16.8622","0.0006","90","","93.924","0.003","90","","2539.81","0.14","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1042","0.0641","","","0.1465","0.1685","","","","","","1.04","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228226","24.3127","0.0008","6.2174","0.0002","16.856","0.0006","90","","93.778","0.003","90","","2542.45","0.15","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H36.926 N O3 -","- C104 H147.704 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.0961","0.0593","","","0.1374","0.156","","","","","","1.048","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228227","23.695","0.008","6","0.009","16.575","0.003","90","","95.5","0.02","90","","2346","4","299","2","299","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.2913","0.1252","","","0.3171","0.4152","","","","","","1.025","","","","has coordinates","196549","2020-10-21","18:00:00",""
"7228228","24.429","0.002","6.194","0.0006","16.7949","0.0019","90","","93.294","0.009","90","","2537.1","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H36.699 N O3 -","- C104 H146.796 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1899","0.112","","","0.2751","0.3196","","","","","","1.126","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228230","8.8907","0.0014","21.265","0.0003","14.955","0.0002","90","","90.876","0.0005","90","","2827.1","0.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Ag B F4 N2 O2.5 -","- C33 H24 Ag B F4 N2 O2.5 -","- C132 H96 Ag4 B4 F16 N8 O10 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0813","0.0447","","","0.0867","0.102","","","","","","1.055","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228231","24.235","0.008","5.8077","0.001","16.177","0.005","90","","131.062","0.007","90","","1716.8","0.9","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Ag F3 N O2 -","- C8 H4 Ag F3 N O2 -","- C64 H32 Ag8 F24 N8 O16 -","8","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0169","0.0154","","","0.0421","0.0424","","","","","","1.08","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228232","16.4929","0.0016","12.677","0.0011","11.4596","0.001","90","","90","","90","","2396","0.4","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag B Cl2 F4 N2 -","- C27 H18 Ag B Cl2 F4 N2 -","- C108 H72 Ag4 B4 Cl8 F16 N8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0191","0.0183","","","0.05","0.0504","","","","","","1.035","","","","has coordinates,has disorder","196565","2020-10-21","18:00:00",""
"7228233","18.5169","0.0019","14.165","0.0015","11.4339","0.0011","90","","90","","90","","2999","0.5","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag Cl N2 O6 -","- C34 H32 Ag Cl N2 O6 -","- C136 H128 Ag4 Cl4 N8 O24 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0713","0.0461","","","0.0832","0.0906","","","","","","1.066","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228234","16.426","0.006","12.656","0.005","11.482","0.004","90","","90","","90","","2387","1.5","93","","93","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag Cl3 N2 O4 -","- C27 H18 Ag Cl3 N2 O4 -","- C108 H72 Ag4 Cl12 N8 O16 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0303","0.0254","","","0.0591","0.0604","","","","","","0.996","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228235","18.3851","0.0014","14.1175","0.0011","11.4036","0.0009","90","","90","","90","","2959.8","0.4","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag B F4 N2 O2 -","- C34 H32 Ag B F4 N2 O2 -","- C136 H128 Ag4 B4 F16 N8 O8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0318","0.0274","","","0.0585","0.0603","","","","","","1.171","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228236","22.764","0.006","11.314","0.002","22.613","0.005","90","","109.182","0.004","90","","5501","2","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ag2 F6 N2 O4 -","- C30 H16 Ag2 F6 N2 O4 -","- C240 H128 Ag16 F48 N16 O32 -","8","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0496","0.0368","","","0.0971","0.1047","","","","","","1.052","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228237","4.7188","0.0006","15.466","0.0014","20.036","0.0018","90","","99.372","0.004","90","","1442.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 O8 -","- C13 H17 N2 O8 -","- C52 H68 N8 O32 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0471","0.0337","","","0.084","0.0916","","","","","","1.024","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228238","23.485","0.01","9.632","0.004","47.03","0.019","90","","96.764","0.01","90","","10564","8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.6 H25.6 N2 O5.2 S0.8 -","- C21.6 H25.6 N2 O5.2 S0.8 -","- C432 H512 N40 O104 S16 -","20","5","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.3231","0.0383","","","0.052","0.0856","","","","","","0.703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228239","7.1055","0.0013","10.956","0.002","14.797","0.003","90","","118.699","0.007","90","","1010.4","0.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0729","0.0675","","","0.1707","0.1735","","","","","","1.096","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228240","7.435","0.005","14.028","0.007","12.008","0.006","90","","92.07","0.03","90","","1251.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0536","0.0475","","","0.1278","0.1312","","","","","","1.16","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228241","46.922","0.005","6.086","0.004","7.467","0.008","90","","92.72","0.06","90","","2130","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.1222","0.0758","","","0.2012","0.2424","","","","","","0.973","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228242","29.8816","0.0012","7.7255","0.0003","21.4941","0.0009","90","","117.245","0.002","90","","4411.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cl Cu4 N12 O16 -","- C36 H28 Cl Cu4 N12 O16 -","- C144 H112 Cl4 Cu16 N48 O64 -","4","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0431","0.0358","","","0.094","0.0986","","","","","","1.057","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228243","8.4549","0.0003","9.6723","0.0004","12.4874","0.0006","111.413","0.001","90.101","0.001","101.508","0.001","928.48","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14.5 N6 Ni O5.25 -","- C18 H14.5 N6 Ni O5.25 -","- C36 H29 N12 Ni2 O10.5 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0623","0.0604","","","0.1393","0.1401","","","","","","1.041","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228244","7.409","0.002","16.144","0.005","10.837","0.003","90","","107.531","0.009","90","","1236","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N14 Ni S2 -","- C22 H16 N14 Ni S2 -","- C44 H32 N28 Ni2 S4 -","2","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.066","0.0447","","","0.0953","0.1063","","","","","","1.038","","","","has coordinates","196567","2020-10-21","18:00:00",""
"7228245","16.979","0.003","24.792","0.005","6.1089","0.0011","90","","90","","90","","2571.5","0.8","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H16 Co N6 O5 -","- C24 H16 Co N6 O5 -","- C96 H64 Co4 N24 O20 -","4","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.1243","0.0716","","","0.2576","0.2685","","","","","","1.03","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228246","7.6597","0.0011","11.198","0.0016","13.3076","0.0018","110.824","0.004","95.302","0.004","104.344","0.004","1012.9","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cu5 N6 O18 -","- C42 H26 Cu5 N6 O18 -","- C42 H26 Cu5 N6 O18 -","1","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0547","0.0403","","","0.0834","0.0901","","","","","","1.025","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228247","6.8758","0.0003","10.5245","0.0005","21.6313","0.0009","80.501","0.001","84.03","0.001","72.161","0.001","1467.26","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu2 N8 O10 -","- C24 H18 Cu2 N8 O10 -","- C48 H36 Cu4 N16 O20 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0424","0.0342","","","0.1286","0.1463","","","","","","0.957","","","","has coordinates","196567","2020-10-21","18:00:00",""
"7228248","10.5905","0.0005","11.7646","0.0005","13.5378","0.0006","105.336","0.001","105.428","0.001","106.856","0.001","1445.46","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Co N6 O14 -","- C28 H22 Co N6 O14 -","- C56 H44 Co2 N12 O28 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.051","0.0372","","","0.0963","0.1068","","","","","","0.995","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228253","20.777","0.002","11.6382","0.0009","23.8738","0.0017","90","","90.074","0.007","90","","5772.8","0.8","123","","123","","","","","","","","Max Klein","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H72 Cl4 N6 O4 Zn2 -","- C58 H72 Cl4 N6 O4 Zn2 -","- C232 H288 Cl16 N24 O16 Zn8 -","4","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.54178","CuKα","","0.0749","0.0726","","0.1726","0.1722","0.1726","","","","","","0.7625","","","","has coordinates,has disorder","196605","2020-10-21","18:00:00",""
"7228254","35.9593","0.0006","35.9593","0.0006","25.1227","0.0003","90","","90","","120","","28133.2","0.7","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Br4 N6 O3 Zn2 -","- C54 H44 Br4 N6 O3 Zn2 -","- C486 H396 Br36 N54 O27 Zn18 -","9","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.1242","0.0898","","0.0924","0.0719","0.071","","","","","","0.9393","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228255","20.4985","0.0009","11.6491","0.0003","23.7457","0.001","90","","91.737","0.004","90","","5667.6","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl4 N6 O2 Zn2 -","- C48 H48 Cl4 N6 O2 Zn2 -","- C192 H192 Cl16 N24 O8 Zn8 -","4","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.0676","0.0451","","0.0578","0.051","0.051","","","","","","0.8726","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228259","9.5715","0.0009","10.1208","0.001","11.698","0.0013","113.409","0.01","101.145","0.009","105.464","0.008","943.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O16 Tb -","- C12 H6 O16 Tb -","- C24 H12 O32 Tb2 -","2","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","x-ray","0.7153","synchrotron","","0.1008","0.077","","","0.1941","0.2209","","","","","","1.064","","","","has coordinates","196712","2020-10-21","18:00:00",""
"7228260","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.71073","MoKα","","0.0681","0.0369","","","0.0496","0.0552","","","","","","1.055","","","","has coordinates,has disorder","196712","2020-10-21","18:00:00",""
"7228261","12.372","0.001","6.5373","0.0004","16.4809","0.0012","90","","99.121","0.005","90","","1316.11","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 O11 Tb -","- C8 H3 O11 Tb -","- C32 H12 O44 Tb4 -","4","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.7749","synchrotron","","0.1247","0.1081","","","0.2569","0.2649","","","","","","1.166","","","","has coordinates","196712","2020-10-21","18:00:00",""
"7228262","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","196712","2020-10-21","18:00:00",""
"7228263","7.6439","0.0007","11.271","0.002","13.576","0.003","67.807","0.018","79.669","0.011","81.247","0.011","1060.8","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.7107","MoKα","","0.0506","0.0398","","","0.0969","0.107","","","","","","1.046","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228264","8.236","0.0002","14.482","0.0003","14.053","0.0002","90","","97.015","0.002","90","","1663.61","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Hg N7 O2 -","- C14 H15 Hg N7 O2 -","- C56 H60 Hg4 N28 O8 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","1.5418","CuKα","","0.0265","0.0225","","","0.05","0.0519","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228265","14.4728","0.0011","14.4895","0.0012","16.2609","0.0012","90","","90","","90","","3410","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Hg N7 O3 -","- C14 H17 Hg N7 O3 -","- C112 H136 Hg8 N56 O24 -","8","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.0378","0.021","","","0.041","0.0457","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228266","8.1973","0.0002","14.0633","0.0003","14.2839","0.0003","90","","96.485","0.002","90","","1636.13","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Hg N7 O1.5 -","- C14 H14 Hg N7 O1.5 -","- C56 H56 Hg4 N28 O6 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","1.54184","CuKα","","0.0238","0.0187","","","0.0417","0.0436","","","","","","1.064","","","","has coordinates,has disorder","196713","2020-10-21","18:00:00",""
"7228267","14.9694","0.0008","12.3482","0.0006","15.9191","0.0011","90","","90","","90","","2942.6","0.3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","36G","36G","","- C24 H20 Hg2 N14 O3 -","- C24 H20 Hg2 N14 O3 -","- C96 H80 Hg8 N56 O12 -","4","0.5","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1053","0.0465","","","0.1131","0.1453","","","","","","0.958","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228268","10.3282","0.0015","14.3823","0.0017","11.7472","0.0016","90","","99.721","0.007","90","","1719.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Hg N7 O2 -","- C15 H17 Hg N7 O2 -","- C60 H68 Hg4 N28 O8 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1663","0.0619","","","0.1019","0.1253","","","","","","1.02","","","","has coordinates,has disorder","196713","2020-10-21","18:00:00",""
"7228269","7.17009","0.00012","13.9391","0.0002","25.7472","0.0004","90","","90","","90","","2573.29","0.07","100","0.1","100","0.1","","","","","","","yes","3","P 21 21 21","P 2ac 2ab","19","Procyanidyn A2","(2R,3R,8S,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-2,3,4,14-tetrahydro-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol","","- C30 H28 O14 -","- C30 H28 O14 -","- C120 H112 O56 -","4","1","","Dudek, Marta K.; Bujacz, Grzegorz; Potrzebowski, Marek J.","Experimental tests for quality validation of computationally predicted crystal structures ‒ a case of a conformationally flexible procyanidin A-2 dihydrate","CrystEngComm","2017","","","","","10.1039/C7CE00618G","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0914","0.0931","","","","","","1.041","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228270","31.0977","0.0016","31.0977","0.0016","31.0977","0.0016","90","","90","","90","","30074","3","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26 H11 Cu2 N O9 -","- C26 H11 Cu2 N O9 -","- C624 H264 Cu48 N24 O216 -","24","0.25","","Du, Liting; Zhang, Jinchi; Lu, Zhiyong; Duan, Jingui; Xu, Li","A New Methyl-embedded (3,36)-connected Txt-type Metal-Organic Framework Exhibiting High H2 Adsorption Property","CrystEngComm","2017","","","","","10.1039/C7CE00461C","","","0.71073","MoKα","","0.102","0.0539","","","0.1382","0.1491","","","","","","1.054","","","","has coordinates","196715","2020-10-21","18:00:00",""
"7228271","13.0499","0.0009","6.4263","0.0004","10.3169","0.0007","90","","92.655","0.006","90","","864.27","0.1","169.9","0.4","169.9","0.4","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0583","0.0492","","","0.1165","0.1264","","","","","","1.038","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228272","7.7327","0.0007","10.8661","0.0007","38.348","0.003","90","","93.185","0.007","90","","3217.2","0.4","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N3 O6.5 S -","- C14 H16 N3 O6.5 S -","- C112 H128 N24 O52 S8 -","8","2","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0982","0.0597","","","0.0924","0.1067","","","","","","1.024","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228273","6.9119","0.0008","11.5956","0.0017","15.219","0.002","78.832","0.012","81.329","0.011","75.997","0.012","1154.2","0.3","170.2","0.4","170.2","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N5 O7 -","- C22 H27 N5 O7 -","- C44 H54 N10 O14 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.1286","0.0916","","","0.2269","0.2584","","","","","","1.008","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228274","14.1519","0.0003","17.9729","0.0004","8.0831","0.0002","90","","97.051","0.002","90","","2040.39","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Hg2 I4 N4 O4 -","- C32 H40 Hg2 I4 N4 O4 -","- C64 H80 Hg4 I8 N8 O8 -","2","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","1.54184","CuKα","","0.0475","0.0311","","","0.0596","0.0664","","","","","","1.031","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228275","16.861","0.002","8.7293","0.0008","21.76","0.002","90","","90","","90","","3202.7","0.6","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Hg I2 N3 -","- C12 H11 Hg I2 N3 -","- C96 H88 Hg8 I16 N24 -","8","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71069","MoKα","","0.125","0.0742","","","0.2121","0.238","","","","","","1.009","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228276","8.6824","0.0013","20.009","0.003","8.9455","0.0013","90","","107.123","0.003","90","","1485.2","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N6 O6 -","- C30 H32 N6 O6 -","- C60 H64 N12 O12 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.0676","0.043","","","0.097","0.1138","","","","","","1.055","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228277","10.151","0.01","11.85","0.02","15.41","0.018","81.36","0.14","89.39","0.09","87.3","0.13","1831","4","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H40 Hg4 I8 N16 O4 -","- C48 H40 Hg4 I8 N16 O4 -","- C48 H40 Hg4 I8 N16 O4 -","1","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71073","MoKα","","0.1762","0.102","","","0.2366","0.271","","","","","","0.946","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228278","11.0638","0.0018","12.0651","0.0018","14.522","0.002","72.328","0.003","69.217","0.003","84.581","0.003","1726.6","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Hg2 I4 N12 O12 -","- C60 H64 Hg2 I4 N12 O12 -","- C60 H64 Hg2 I4 N12 O12 -","1","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.1038","0.0525","","","0.1397","0.2274","","","","","","1.048","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228286","21.9879","0.0009","19.3316","0.0007","9.2168","0.0004","90","","101.864","0.0015","90","","3834","0.3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 Li2 N4 O38 V10 -","- C40 H92 Li2 N4 O38 V10 -","- C80 H184 Li4 N8 O76 V20 -","2","0.5","","Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru","Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00595D","","","0.71075","MoKα","","0.0834","0.0703","","","0.1563","0.162","","","","","","1.098","","","","has coordinates","196889","2020-10-21","18:00:00",""
"7228287","20.882","0.002","18.186","0.002","10.2629","0.0012","90","","94.447","0.004","90","","3885.7","0.7","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H124 N6 O30 V10 -","- C48 H120 N6 O30 V10 -","- C96 H240 N12 O60 V20 -","2","0.5","","Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru","Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00595D","","","0.71075","MoKα","","0.0774","0.0565","","","0.1396","0.1517","","","","","","1.056","","","","has coordinates","196889","2020-10-21","18:00:00",""
"7228290","9.7601","0.0019","10.129","0.002","13.161","0.003","103.634","0.004","90.513","0.004","95.06","0.004","1258.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Mn2 N6 O10 -","- C46 H38 Mn2 N6 O10 -","- C46 H38 Mn2 N6 O10 -","1","0.5","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0917","0.0813","","","0.2272","0.2362","","","","","","1.057","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228291","28.298","0.006","9.913","0.002","10.478","0.002","90","","107.775","0.003","90","","2799","1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C11 H7 Cd0.75 O5 -","- C11 H7 Cd0.75 O5 -","- C88 H56 Cd6 O40 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0504","0.0464","","","0.153","0.1573","","","","","","1.062","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228292","10.208","0.004","28.445","0.01","18.358","0.006","90","","90.818","0.007","90","","5330","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H9 O8 Zn1.5 -","- C22 H9 O8 Zn1.5 -","- C176 H72 O64 Zn12 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0768","0.062","","","0.1663","0.1734","","","","","","1.057","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228293","18.338","0.013","20.09","0.014","18.933","0.014","90","","96.929","0.012","90","","6924","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 N4 O4 Zn -","- C29 H19 N4 O4 Zn -","- C232 H152 N32 O32 Zn8 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0748","0.0509","","","0.1543","0.1629","","","","","","1.083","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228307","11.9557","0.0004","13.5378","0.0005","9.0424","0.0003","90","","99.981","0.002","90","","1441.4","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(2,6-dichlorobenzyl)-1,3,4-oxadiazole-2(3H)-thione, dimethyl sulfoxide solvate","","- C11 H12 Cl2 N2 O2 S2 -","- C11 H12 Cl2 N2 O2 S2 -","- C44 H48 Cl8 N8 O8 S8 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0382","0.0292","","","0.0731","0.0778","","","","","","1.077","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228308","12.786","0.0005","12.8784","0.0005","13.352","0.0006","90","","116.878","0.002","90","","1961.07","0.14","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C72 H56 Cl8 N16 O8 S8 -","8","2","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0535","0.0413","","","0.1104","0.116","","","","","","1.1","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228309","4.7154","0.0004","11.7528","0.0009","17.8887","0.0016","90","","90.015","0.004","90","","991.38","0.14","92","2","92","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N2 O S -","- C9 H7 Br N2 O S -","- C36 H28 Br4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0471","0.0275","","","0.0595","0.062","","","","","","0.924","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228310","4.8187","0.0003","9.755","0.0006","20.3555","0.0013","90","","90","","90","","956.84","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C36 H28 Cl4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0297","0.0264","","","0.0661","0.0677","","","","","","1.056","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228312","6.9","0.0014","9.831","0.002","10.739","0.002","96.01","0.03","106.05","0.03","102.06","0.03","674.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl N4 O5 S -","- C9 H10 Cl N4 O5 S -","- C18 H20 Cl2 N8 O10 S2 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1113","0.0746","","","0.1681","0.1884","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228313","6.77","0.0014","20.084","0.004","16.848","0.003","90","","101.5","0.03","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N8 O8 S -","- C18 H22 N8 O8 S -","- C72 H88 N32 O32 S4 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1002","0.0548","","","0.1059","0.1243","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228314","7.144","0.0014","18.168","0.004","9.376","0.0019","90","","104.84","0.03","90","","1176.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 O5 -","- C9 H11 N5 O5 -","- C36 H44 N20 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1022","0.0661","","","0.1644","0.1848","","","","","","1.004","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228315","7.0119","0.0014","20.686","0.004","16.829","0.003","90","","90","","90","","2441","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 N8 O9 S -","- C20 H24 N8 O9 S -","- C80 H96 N32 O36 S4 -","4","0.5","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1396","0.0891","","","0.2198","0.2496","","","","","","1.094","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228316","8.8062","0.0018","17.518","0.004","8.1176","0.0016","90","","103.15","0.03","90","","1219.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1555","0.0875","","","0.1798","0.2043","","","","","","1.169","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228317","8.011","0.0016","11.071","0.002","13.968","0.003","100.75","0.03","91.99","0.03","108.46","0.03","1148.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cl N8 O8 -","- C20 H21 Cl N8 O8 -","- C40 H42 Cl2 N16 O16 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.0863","0.0581","","","0.1522","0.1712","","","","","","1.059","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228318","7.187","0.0014","16.366","0.003","10.661","0.002","90","","95.43","0.03","90","","1248.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N4 O5 -","- C9 H9 Cl N4 O5 -","- C36 H36 Cl4 N16 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.215","0.0904","","","0.1664","0.2116","","","","","","0.973","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228319","6.867","0.0014","9.843","0.002","10.687","0.002","96.32","0.03","105.85","0.03","99.25","0.03","676.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N4 O5 S -","- C10 H13 N4 O5 S -","- C20 H26 N8 O10 S2 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.098","0.0643","","","0.1696","0.1923","","","","","","1.113","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228320","22.736","0.001","21.619","0.002","14.974","0.001","90","","121.769","0.002","90","","6257.4","0.8","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H71 Br0.5 Na0.5 O13 P3 S -","- C63 H69 Br0.5 Na0.5 O13 P3 S -","- C252 H276 Br2 Na2 O52 P12 S4 -","4","1","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","0.7","","","0.0824","0.062","","","0.165","0.1825","","","","","","1.02","","","","has coordinates,has disorder","197009","2020-10-21","18:00:00",""
"7228321","24.15","0.005","15.847","0.003","31.397","0.006","90","","96.99","0.03","90","","11926","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.8 H78 O13.7 P3 S -","- C61 H66 O12.5 P3 S -","- C488 H528 O100 P24 S8 -","8","2","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","1.54178","Synchrotron","","0.1112","0.1031","","","0.2556","0.2622","","","","","","1.042","","","","has coordinates","197009","2020-10-21","18:00:00",""
"7228322","24.1722","0.001","24.1722","0.001","24.1722","0.001","90","","90","","90","","14123.7","1","100","","100","","","","","","","","","4","F 2 3","F 2 2 3","196","","","","- C133.5 H176.84 N24 O11.92 -","- C133.5 H120 N24 O11.916 -","- C534 H480 N96 O47.664 -","4","0.0833333","","Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.","Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal","CrystEngComm","2017","","","","","10.1039/C7CE00783C","","x-ray","0.7749","","","0.1038","0.0941","","","0.2252","0.2475","","","","","","2.259","","","","has coordinates,has disorder","197010","2020-10-21","18:00:00",""
"7228323","24.586","0.003","24.586","0.003","24.586","0.003","90","","90","","90","","14862","3","400","2","400","2","","","","","","","","3","F 2 3","F 2 2 3","196","","","","- C126 H156 N24 -","- C126 H156 N24 -","- C504 H624 N96 -","4","0.0833333","","Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.","Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal","CrystEngComm","2017","","","","","10.1039/C7CE00783C","","x-ray","0.71073","MoKα","","0.0708","0.0491","","","0.1444","0.1655","","","","","","1.059","","","","has coordinates","197010","2020-10-21","18:00:00",""
"7228324","17.9772","0.0018","9.026","0.001","27.903","0.003","90","","103.161","0.008","90","","4408.7","0.8","120","2","120","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C124 H240 Cd4 N12 O28 S8 Si8 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0375","0.0338","","","0.0783","0.0799","","","","","","1.048","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228325","14.0403","0.0007","16.2198","0.0008","18.3694","0.0009","87.591","0.004","78.654","0.004","88.153","0.004","4096.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H65 Cl27 N8 Ni2 O8 -","- C49 H65 Cl27 N8 Ni2 O8 -","- C98 H130 Cl54 N16 Ni4 O16 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1368","0.0867","","","0.2129","0.2788","","","","","","1.056","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228326","9.592","0.003","33.01","0.008","14.296","0.004","90","","103.94","0.02","90","","4393","2","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H62 Co N3 O6 S2 Si2 -","- C30 H62 Co N3 O6 S2 Si2 -","- C120 H248 Co4 N12 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1354","0.0618","","","0.1281","0.157","","","","","","0.955","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228327","10.011","0.0003","28.3797","0.0013","18.2009","0.0007","90","","99.872","0.003","90","","5094.5","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H69 Cd Cl3 N4 O6 S2 Si2 -","- C35 H69 Cd Cl3 N4 O6 S2 Si2 -","- C140 H276 Cd4 Cl12 N16 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0957","0.0539","","","0.126","0.1376","","","","","","0.92","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228328","11.947","0.007","15.36","0.014","15.374","0.017","90.85","0.08","112.01","0.07","92.77","0.06","2611","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H160 Co2 N8 O18 S4 Si4 -","- C74 H160 Co2 N8 O18 S4 Si4 -","- C74 H160 Co2 N8 O18 S4 Si4 -","1","0.5","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1406","0.0671","","","0.1485","0.18","","","","","","0.913","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228329","14.3711","0.0016","32.952","0.005","9.537","0.0011","90","","103.618","0.009","90","","4389.3","1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H65 N3 Ni O6 S2 Si2 -","- C30 H65 N3 Ni O6 S2 Si2 -","- C120 H260 N12 Ni4 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0834","0.0518","","","0.1492","0.2048","","","","","","1.061","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228354","23.221","0.003","23.258","0.002","11.0477","0.0013","90","","109.205","0.004","90","","5634.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H56.5 Dy5 N14.5 O30 -","- C32.5 H22 Dy5 N13.5 O29 -","- C130 H88 Dy20 N54 O116 -","4","0.5","","liu, feng; huang, hong; gao, wei; Zhang, Xiumei; liu, jie ping","3D Ln-MOFs containing pentanuclear clusters exhibiting magnetic refrigeration and slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE00698E","","","0.71073","MoKα","","0.0504","0.0437","","","0.1069","0.1101","","","","","","1.065","","","","has coordinates,has disorder","197136","2020-10-21","18:00:00",""
"7228355","23.543","0.003","23.351","0.002","11.2607","0.0013","90","","111.208","0.004","90","","5771.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H56.5 Gd5 N14.5 O30 -","- C32.5 H19 Gd5 N13.5 O30 -","- C130 H76 Gd20 N54 O120 -","4","0.5","","liu, feng; huang, hong; gao, wei; Zhang, Xiumei; liu, jie ping","3D Ln-MOFs containing pentanuclear clusters exhibiting magnetic refrigeration and slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE00698E","","","0.71073","MoKα","","0.0561","0.0523","","","0.1195","0.1211","","","","","","1.07","","","","has coordinates,has disorder","197136","2020-10-21","18:00:00",""
"7228356","9.307","0.002","21.037","0.002","13.607","0.002","90","","101.561","0.003","90","","2610.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N7 O2 -","- C29 H27 N7 O2 -","- C116 H108 N28 O8 -","4","1","","Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi","A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change","CrystEngComm","2017","","","","","10.1039/C7CE00642J","","","0.61","synchrotron","","0.0594","0.042","","","0.112","0.1193","","","","","","1.008","","","","has coordinates","197137","2020-10-21","18:00:00",""
"7228357","10.689","0.002","21.09","0.003","15.168","0.002","90","","93.045","0.004","90","","3414.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N10 O9 -","- C35 H30 N10 O9 -","- C140 H120 N40 O36 -","4","1","","Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi","A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change","CrystEngComm","2017","","","","","10.1039/C7CE00642J","","","0.63","synchrotron","","0.1139","0.0629","","","0.1735","0.194","","","","","","0.992","","","","has coordinates,has disorder","197137","2020-10-21","18:00:00",""
"7228362","7.1454","0.0004","17.2601","0.0009","22.297","0.0011","90","","90","","90","","2749.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","([6]helicene)(F4TCNQ)","","","- C38 H16 F4 N4 -","- C38 H16 F4 N4 -","- C152 H64 F16 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0375","0.0321","","","0.0871","0.0915","","","","","","1.045","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228363","8.2077","0.0005","33.788","0.0019","19.3173","0.0011","90","","92.882","0.001","90","","5350.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","([6]helicene)(TCNQ)","","","- C38 H20 N4 -","- C38 H20 N4 -","- C304 H160 N32 -","8","2","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0986","0.0482","","","0.0906","0.1045","","","","","","0.975","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228364","14.4593","0.0007","11.4032","0.0006","17.8273","0.0009","90","","102.652","0.001","90","","2868","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","([6]helicene)(Me2TCNQ)","","","- C40 H24 N4 -","- C40 H24 N4 -","- C160 H96 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0372","0.0343","","","0.0981","0.1016","","","","","","1.096","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228365","8.3747","0.0004","16.7659","0.0008","19.2823","0.0009","90","","90.488","0.001","90","","2707.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","([6]helicene)(F2TCNQ)","","","- C38 H18 F2 N4 -","- C38 H18 F2 N4 -","- C152 H72 F8 N16 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0527","0.0391","","","0.0921","0.0991","","","","","","1.019","","","","has coordinates,has disorder","197184","2020-10-21","18:00:00",""
"7228366","7.3079","0.0003","12.9491","0.0006","17.4393","0.0008","90","","90","","90","","1650.29","0.13","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","(M)-[6]helicene","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0331","0.0294","","","0.0708","0.0724","","","","","","1.058","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228367","31.5024","0.0016","15.5709","0.0008","28.1201","0.0016","90","","114.798","0.002","90","","12521.6","1.2","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8 -","- C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8 -","- C424 H368 B8 Cl16 Cu32 F32 K8 N128 S32 -","4","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.1723","0.0752","","","0.1708","0.2146","","","","","","0.981","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228368","11.7453","0.0004","12.3139","0.0004","14.0203","0.0004","100.819","0.001","98.42","0.001","107.765","0.001","1851.22","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","1","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0285","0.0216","","","0.0412","0.0428","","","","","","1.03","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228369","21.7448","0.0019","5.326","0.0004","13.8216","0.0011","90","","106.577","0.002","90","","1534.2","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H28 Hg N10 O0 S2 -","- C30 H28 Hg N10 S2 -","- C60 H56 Hg2 N20 S4 -","2","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0342","0.032","","","0.0542","0.0553","","","","","","0.815","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228370","31.5889","0.0019","15.6131","0.0009","28.325","0.003","90","","115.412","0.001","90","","12618.3","1.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C106 H88 Cl6 Cu8 K2 N32 O8 S8 -","- C106 H88 Cl6 Cu8 K2 N32 O8 S8 -","- C424 H352 Cl24 Cu32 K8 N128 O32 S32 -","4","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.1343","0.0638","","","0.155","0.1868","","","","","","1","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228371","12.4147","0.0008","12.5005","0.0008","15.0246","0.001","79.78","0.002","67.38","0.002","88.288","0.002","2116.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H33.5 Cu2 N12 O0.5 S3 -","- C40.5 H33.5 Cu2 N12 O0.5 S3 -","- C81 H67 Cu4 N24 O S6 -","2","1","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0771","0.0433","","","0.0822","0.0943","","","","","","0.995","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228372","15.9366","0.0005","24.2141","0.0008","17.0724","0.0006","90","","110.846","0.0016","90","","6156.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Cl2 Cu4 N16 O S4 -","- C57 H52 Cl2 Cu4 N16 O S4 -","- C228 H208 Cl8 Cu16 N64 O4 S16 -","4","1","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","1.54178","CuKα","","0.1141","0.0818","","","0.2212","0.2482","","","","","","1.031","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228373","8.1987","0.0005","13.5765","0.0008","16.0434","0.001","86.101","0.005","78.373","0.005","88.442","0.005","1744.93","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","","- C39.68 H33.68 Cl2.04 N3 O6 -","- C39.68 H33.68 Cl2.04 N3 O6 -","- C79.36 H67.36 Cl4.08 N6 O12 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.1143","0.073","","","0.1743","0.2053","","","","","","1.114","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228374","11.8472","0.0006","13.2204","0.0006","15.2946","0.0007","62.584","0.003","70.003","0.004","86.619","0.004","1984.29","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C45 H47 N5 O8 -","- C44.988 H46.972 N4.996 O7.996 -","- C89.976 H93.944 N9.992 O15.992 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0509","0.0411","","","0.104","0.1134","","","","","","1.054","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228375","14.9001","0.0007","10.1802","0.0004","18.3499","0.0007","90","","93.884","0.003","90","","2777","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C36 H27 N3 O6 -","- C36 H27 N3 O6 -","- C144 H108 N12 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0717","0.049","","","0.1091","0.1233","","","","","","1.14","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228376","10.7009","0.0005","13.6335","0.0007","14.0704","0.0007","115.146","0.003","94.041","0.004","98.252","0.004","1819.05","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione)","","- C39.88 H33.88 Cl2.64 N3 O9 -","- C39.88 H33.88 Cl2.64 N3 O9 -","- C79.76 H67.76 Cl5.28 N6 O18 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.038","0.0341","","","0.0889","0.0923","","","","","","1.044","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228377","8.7193","0.0003","13.537","0.0005","17.0293","0.0007","90.53","0.003","101.315","0.003","96.462","0.003","1957.42","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C45 H48 N3 O9 -","- C45 H48 N3 O9 -","- C90 H96 N6 O18 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0835","0.064","","","0.1566","0.1701","","","","","","1.191","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228378","18.9687","0.0005","8.5086","0.0002","24.479","0.0006","90","","112.71","0.0009","90","","3644.53","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","- C176 H168 N16 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0569","0.0503","","","0.1288","0.1327","","","","","","1.078","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228379","15.939","0.0007","11.9019","0.0007","17.5127","0.0009","90","","102.591","0.004","90","","3242.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","","- C39.83 H34.25 N3.42 O6 -","- C39.83 H34.245 N3.415 O6 -","- C159.32 H136.98 N13.66 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.1505","0.0667","","","0.1118","0.1485","","","","","","1.072","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228380","14.4301","0.0004","13.512","0.0005","19.5432","0.0007","90","","99.6261","0.0019","90","","3756.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) tris(5-methoxyindoline-2,3-dione","","- C44 H42 N4 O9 -","- C44 H42 N4 O9 -","- C176 H168 N16 O36 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0771","0.0589","","","0.1594","0.1693","","","","","","1.041","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228382","14.6718","0.0005","22.9104","0.0008","23.5888","0.0009","90","","104.564","0.004","90","","7674.3","0.5","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N7 O10 -","- C72 H109 Cl4 N7 O10 -","- C288 H436 Cl16 N28 O40 -","4","1","","Zhu, Jing-Yi; Li, Fu-Min; Yao, Lin; Han, Cong-Cong; Li, Shu-Ni; Zeng, Jing-Hui; Jiang, Jia-Xing; Lee, Jong-Min; Chen, Yu","In situ bubble template-assisted synthesis of phosphonate-functionalized Rh nanodendrites and their catalytic application","CrystEngComm","2017","19","21","2946","","10.1039/C7CE00606C","","","0.71073","MoKα","","0.1167","0.0929","","","0.2554","0.2772","","","","","","1.025","","","","has coordinates","197220","2020-10-21","18:00:00",""
"7228386","6.283","0.004","9.068","0.006","9.413","0.006","83.434","0.01","71.683","0.01","87.853","0.01","505.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B2 N2 O12 -","- C20 H18 B2 N2 O12 -","- C20 H18 B2 N2 O12 -","1","0.5","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.0523","0.0464","","","0.1172","0.1222","","","","","","1.043","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228387","6.8238","0.001","8.5146","0.0013","12.6237","0.0019","91.778","0.002","104.295","0.002","96.157","0.002","705.39","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 B N O8 -","- C14 H12 B N O8 -","- C28 H24 B2 N2 O16 -","2","1","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.036","0.0352","","","0.096","0.0967","","","","","","1.068","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228388","3.6556","0.0006","10.2996","0.0016","15.328","0.002","103.389","0.002","92.245","0.003","98.573","0.003","553.53","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 B2 N2 O14 -","- C20 H22 B2 N2 O14 -","- C20 H22 B2 N2 O14 -","1","0.5","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.0646","0.056","","","0.1309","0.1398","","","","","","1.023","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228389","9.094","0.0006","12.7134","0.0005","33.9463","0.0014","90","","90","","90","","3924.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H9 O11 Zn2 -","- C23 H9 O11 Zn2 -","- C92 H36 O44 Zn8 -","4","1","","Liu, Jian-Qiang; SINGH, AMITA; Kumar, Abhinav; Wu, Xiren; Wang, Jun; Batten, Stuart R.; Li, Baohong","An uncommon (5,5)-connected 3D metal organic material for selective and sensitive sensing of nitroaromatics and ferric ion: experimental studies and theoretical analysis","CrystEngComm","2017","","","","","10.1039/C7CE00912G","","","1.54184","CuKα","","0.0983","0.0878","","","0.2365","0.2531","","","","","","0.987","","","","has coordinates","197545","2020-10-21","18:00:00",""
"7228390","12.2017","0.0001","7.959","","25.9259","0.0001","90","","90","","90","","2517.75","0.02","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.033","0.0324","","","0.0876","0.0881","","","","","","1.091","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228391","12.2769","0.0001","8.0018","0.0001","26.0006","0.0002","90","","90","","90","","2554.23","0.04","294.87","0.1","294.87","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.0405","0.0393","","","0.1126","0.1137","","","","","","1.066","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228392","12.2403","0.0001","7.9788","0.0001","25.9695","0.0002","90","","90","","90","","2536.26","0.04","250","0.1","250","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.035","0.0341","","","0.0926","0.0933","","","","","","1.077","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228393","12.12852","0.0001","7.92362","0.00007","25.81707","0.00018","90","","90","","90","","2481.07","0.03","99.98","0.18","99.98","0.18","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl1.98 N O3 -","- C10 H13 Cl1.9797 N O3 -","- C80 H104 Cl15.8376 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0695","0.0697","","","","","","1.095","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228394","12.162","0.0001","7.9403","0.0001","25.8738","0.0002","90","","90","","90","","2498.63","0.04","150","10","150","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.029","0.0286","","","0.0778","0.0781","","","","","","1.086","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228447","11.2502","0.0005","7.188","0.0004","21.7868","0.0015","90","","90","","90","","1761.82","0.17","122.7","0.3","122.7","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","MC_U co-crystal","m-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Wang, Na; Hao, Hongxun; Lu, Haijiao; Xu, Ruilin","Molecular recognition and self-assembly mechanism of cocrystallization process","CrystEngComm","2017","","","","","10.1039/C7CE00713B","","","0.71073","MoKα","","0.0746","0.0552","","","0.1344","0.1472","","","","","","1.104","","","","has coordinates","197672","2020-10-21","18:00:00",""
"7228448","8.461","0.0017","8.506","0.0017","9.302","0.0019","98.71","0.03","98.91","0.03","103.81","0.03","629.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Ba O10 P3 -","- C6 H9 Ba O10 P3 -","- C12 H18 Ba2 O20 P6 -","2","1","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0274","0.0237","","","0.0525","0.0542","","","","","","1.063","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228449","11.616","0.002","15.242","0.003","17.613","0.004","67.65","0.03","82.28","0.03","82.8","0.03","2848.6","1.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H72 Ba3 O30 P6 -","- C30 H72 Ba3 O30 P6 -","- C60 H144 Ba6 O60 P12 -","2","1","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71069","MoKα","","0.0861","0.0614","","","0.116","0.1325","","","","","","1.153","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228450","26.457","0.005","6.0072","0.0012","21.021","0.004","90","","90","","90","","3340.9","1.1","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H18 Ba O6 P2 -","- C12 H18 Ba O6 P2 -","- C96 H144 Ba8 O48 P16 -","8","0.5","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0827","0.0685","","","0.1587","0.1663","","","","","","1.072","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228454","6.67372","0.00005","6.67372","0.00005","23.629","0.0003","90","","90","","90","","1052.4","0.017","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.393 F0.607 N3 O -","- C4 H4.393 F0.607 N3 O -","- C32 H35.144 F4.856 N24 O8 -","8","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.983","","","","","","","has coordinates","197754","2020-10-21","18:00:00",""
"7228455","4.00808","0.00009","9.43931","0.00011","13.0306","0.0002","90","","91.179","0.002","90","","492.889","0.015","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.359 F0.641 N3 O -","- C4 H4.359 F0.641 N3 O -","- C16 H17.436 F2.564 N12 O4 -","4","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.798","","","","","","","has coordinates","197755","2020-10-21","18:00:00",""
"7228457","16.9657","0.0008","17.2724","0.0008","25.7174","0.0012","90","","106.578","0.005","90","","7222.9","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H53 Ag4 Mo12 O48 P S8 -","- C23.5 H53 Ag4 Mo12 O48 P S8 -","- C94 H212 Ag16 Mo48 O192 P4 S32 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1743","0.1655","","","0.3103","0.314","","","","","","1.127","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228458","17.0815","0.0006","17.3104","0.0005","25.7879","0.0009","90","","106.596","0.004","90","","7307.5","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H53 Ag4 O48 P S8 W12 -","- C23.5 H53 Ag4 O48 P S8 W12 -","- C94 H212 Ag16 O192 P4 S32 W48 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1125","0.1027","","","0.2183","0.2217","","","","","","1.219","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228459","13.6613","0.0015","18.0152","0.0009","18.7774","0.0006","93.702","0.003","101.547","0.006","101.388","0.007","4412.5","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C144 H132 Ag19 O50 P S8 W12 -","- C144 H108 Ag19 O50 P S8 W12 -","- C144 H108 Ag19 O50 P S8 W12 -","1","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.0712","0.0364","","","0.0707","0.0783","","","","","","0.956","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228460","33.174","0.004","8.3649","0.0005","32.717","0.004","90","","114.198","0.014","90","","8281.2","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Ag5 F3 O5 S3 -","- C37 H20 Ag5 F3 O5 S3 -","- C296 H160 Ag40 F24 O40 S24 -","8","1","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1155","0.0606","","","0.0651","0.0735","","","","","","1.193","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228461","20.6616","0.0012","22.0358","0.0012","30.4391","0.0018","90","","105.96","0.006","90","","13324.6","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H100 Ag12 O50 S10 Si W12 -","- C84 H96.4 Ag12 O50 S10 Si W12 -","- C336 H385.6 Ag48 O200 S40 Si4 W48 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1079","0.0569","","","0.0805","0.0891","","","","","","1.204","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228462","13.5633","0.0006","15.5962","0.0006","18.8084","0.0009","86.273","0.004","85.954","0.004","85.935","0.004","3951.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H65 Ag5 O50 S10 Si W12 -","- C28 H65 Ag5 O50 S10 Si W12 -","- C56 H130 Ag10 O100 S20 Si2 W24 -","2","1","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1172","0.0726","","","0.0767","0.082","","","","","","1.091","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228463","10.278","0.003","10.999","0.003","14.002","0.004","102.274","0.007","100.019","0.007","109.594","0.006","1404.5","0.7","323","","323","","","","","","","","","5","P -1","-P 1","2","","","","- C27.45 H26.3 Cd N4.48 O6.48 -","- C27.455 H26.307 Cd N4.485 O6.485 -","- C54.91 H52.614 Cd2 N8.97 O12.97 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0791","0.0704","","","0.2059","0.2135","","","","","","1.1","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228464","10.234","0.0005","10.8368","0.0006","13.8265","0.0007","100.767","0.001","102.256","0.001","108.843","0.001","1363.02","0.12","104.15","","104.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.86 H25.34 Cd N4.62 O6.62 -","- C27.872 H25.368 Cd N4.624 O6.624 -","- C55.744 H50.736 Cd2 N9.248 O13.248 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0362","0.0355","","","0.1057","0.1063","","","","","","1.141","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228465","10.27","0.001","10.9495","0.0011","13.9134","0.0013","101.807","0.002","100.473","0.002","109.366","0.002","1391","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cd N4 O6 -","- C26 H21 Cd N4 O6 -","- C52 H42 Cd2 N8 O12 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0562","0.057","","","","","","1.075","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228466","10.27","0.001","10.9495","0.0011","13.9134","0.0013","101.807","0.002","100.473","0.002","109.366","0.002","1391","0.2","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.69 H24.94 Cd N4.57 O6.57 -","- C27.698 H24.962 Cd N4.566 O6.566 -","- C55.396 H49.924 Cd2 N9.132 O13.132 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0317","0.0299","","","0.0929","0.0942","","","","","","1.119","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228467","27.33","0.006","10.234","0.002","20.922","0.005","90","","110.635","0.007","90","","5476","2","373.15","","373.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N4 O6 -","- C26 H21 Cd N4 O6 -","- C208 H168 Cd8 N32 O48 -","8","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.1198","0.0608","","","0.1558","0.1884","","","","","","1.017","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228476","16.2181","0.0009","16.1822","0.0008","7.9215","0.0004","90","","90","","90","","2078.95","0.19","123","0.1","123","0.1","","","","","","","","4","P m m n","-P 2ab 2a","59","","","","- C41 H45 Br4 O10 -","- C41 H45 Br4 O10 -","- C82 H90 Br8 O20 -","2","","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0497","0.0408","","","0.1006","0.1057","","","","","","1.059","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228477","13.8485","0.0006","13.921","0.0004","14.3337","0.0004","90.848","0.002","115.869","0.004","90.012","0.003","2486.08","0.17","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 Br4 N2 O11 -","- C51 H56 Br4 N2 O11 -","- C102 H112 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0438","0.0381","","","0.0931","0.0966","","","","","","1.089","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228478","13.6699","0.0003","13.7198","0.0004","14.702","0.0005","114.673","0.003","90.898","0.002","92.597","0.002","2501.21","0.14","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 Br4 N2 O11 -","- C51 H56 Br4 N2 O11 -","- C102 H112 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0334","0.0289","","","0.0705","0.0741","","","","","","1.046","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228479","37.615","0.008","7.8003","0.0016","27.83","0.006","90","","120.42","0.03","90","","7041","3","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 Br4 N6 O17 -","- C75 H78 Br4 N6 O17 -","- C300 H312 Br16 N24 O68 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.0605","0.0566","","","0.1443","0.1499","","","","","","1.053","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228480","13.7077","0.0004","13.9155","0.0004","13.9398","0.0004","90.621","0.002","116.716","0.003","96.052","0.002","2356.83","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H52 Br4 N2 O11 -","- C49 H52 Br4 N2 O11 -","- C98 H104 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0327","0.0294","","","0.0733","0.076","","","","","","1.028","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228481","14.85237","0.00016","7.94141","0.00008","24.9573","0.0002","90","","91.3906","0.0009","90","","2942.82","0.05","123","","123","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H74 Br4 N2 O16 -","- C56 H74 Br4 N2 O16 -","- C112 H148 Br8 N4 O32 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0288","0.0269","","","0.0664","0.0679","","","","","","1.028","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228482","15.3678","0.0008","7.9991","0.0003","22.9088","0.0011","90","","104.628","0.005","90","","2724.9","0.2","120","","120","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H61 Br4 N O12 -","- C50 H61 Br4 N O12 -","- C100 H122 Br8 N2 O24 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.0599","0.0467","","","0.1334","0.1434","","","","","","1.044","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228483","31.3059","0.0019","8.0079","0.0005","23.0375","0.0017","90","","96.653","0.007","90","","5736.5","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H68 Br4 N2 O15 -","- C57 H68 Br4 N2 O15 -","- C228 H272 Br16 N8 O60 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.1101","0.0818","","","0.2002","0.2131","","","","","","1.146","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228484","25.3967","0.0006","7.7852","0.00018","27.8052","0.0008","90","","96.897","0.002","90","","5457.8","0.2","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Br4 N2 O12 -","- C60 H62 Br4 N2 O12 -","- C240 H248 Br16 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0631","0.0549","","","0.1512","0.1626","","","","","","1.125","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228485","19.2354","0.0005","7.84234","0.00014","22.8722","0.0006","90","","114.269","0.003","90","","3145.37","0.15","123","0.1","123","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C72 H69 Br4 N3 O12 -","- C72 H69 Br4 N3 O12 -","- C144 H138 Br8 N6 O24 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0539","0.0451","","","0.1081","0.1147","","","","","","1.02","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228486","13.8438","0.0004","26.2609","0.0006","14.0294","0.0003","90","","91.72","0.002","90","","5098.1","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Br4 N3 O11 -","- C54 H57 Br4 N3 O11 -","- C216 H228 Br16 N12 O44 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0835","0.0757","","","0.2028","0.2078","","","","","","1.137","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228487","14.1188","0.0003","26.2939","0.0006","14.324","0.0003","90","","91.644","0.002","90","","5315.4","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 Br4 N2 O11 -","- C57 H56 Br4 N2 O11 -","- C228 H224 Br16 N8 O44 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.1002","0.0873","","","0.217","0.2249","","","","","","1.173","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228488","6.9926","0.0002","20.0065","0.0005","7.0055","0.0002","90","","109.827","0.0008","90","","921.96","0.04","303","2","303","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H K5 O18 U5 -","- K5 O18 U5 -","- K10 O36 U10 -","2","0.5","","Felder, Justin B.; Smith, Mark D.; zur Loye, Hans-Conrad","Supercritical synthesis and topological analysis of K5U5O17(OH)","CrystEngComm","2017","","","","","10.1039/C7CE00746A","","","0.71073","MoKα","","0.024","0.0197","","","0.0424","0.0434","","","","","","1.138","","","","has coordinates","197870","2020-10-21","18:00:00",""
"7228489","3.5787","0.0003","19.2352","0.0001","9.1906","0.0008","90","","93.645","0.002","90","","631.37","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitranilic acid","","","- C3 H7 N O7 -","- C3 H7 N O7 -","- C12 H28 N4 O28 -","4","1","","Molcanov, Kresimir; Jelsch, Christian; Wenger, Emmanuel; Stare, Jernej; Madsen, Anders Østergaard; Kojic-Prodic, Biserka","Experimental evidence of 3-centre, 2-electron covalent bond character of the central O-H-O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate","CrystEngComm","2017","","","","","10.1039/C7CE00501F","","","0.71073","MoKα","","0.0453","0.0301","","","0.0274","0.0295","","","","","","0.907","","","","has coordinates","197871","2020-10-21","18:00:00",""
"7228490","12.427","0.0007","12.6422","0.0007","12.9901","0.0007","77.653","0.002","65.074","0.001","80.762","0.002","1802.18","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl8 N24 Na2 O28 -","- C44 H51 Cd2 Cl8 N24 Na2 O25 -","- C44 H51 Cd2 Cl8 N24 Na2 O25 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.0655","0.055","","","0.143","0.1506","","","","","","1.068","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228491","15.5481","0.0009","16.8984","0.0011","19.9892","0.0014","92.9","0.002","105.986","0.002","117.084","0.001","4399.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H115 Ba2 Cd Cl7 N24 O44 -","- C44 H50 Ba2 Cd Cl7 N24 O21 -","- C88 H100 Ba4 Cd2 Cl14 N48 O42 -","2","1","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1066","0.0779","","","0.212","0.2277","","","","","","1.032","","","","has coordinates","197872","2020-10-21","18:00:00",""
"7228492","12.4437","0.0006","12.8568","0.0006","13.2281","0.0008","61.266","0.001","78.409","0.002","79.303","0.001","1808.08","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H82 Cd2 Cl8 K2 N24 O27 -","- C44 H52 Cd2 Cl8 K2 N24 O25 -","- C44 H52 Cd2 Cl8 K2 N24 O25 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.0941","0.0777","","","0.2061","0.2158","","","","","","1.075","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228493","12.4425","0.0011","12.7747","0.0011","13.1991","0.0016","61.138","0.002","79.66","0.003","80.115","0.002","1798.7","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H79 Cd2 Cl8 N24 O25 Rb -","- C44 H48 Cd2 Cl8 N24 O21 Rb -","- C44 H48 Cd2 Cl8 N24 O21 Rb -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1085","0.0797","","","0.2146","0.2325","","","","","","1.051","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228494","15.5487","0.0016","15.7451","0.0017","20.742","0.002","94.195","0.004","111.638","0.003","110.716","0.003","4292.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H198 Cd3 Cl14 N48 O73 Sr4 -","- C88 H98 Cd3 Cl14 N48 O42 Sr4 -","- C88 H98 Cd3 Cl14 N48 O42 Sr4 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1153","0.0931","","","0.2812","0.3006","","","","","","1.112","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228495","12.8276","0.0003","15.6361","0.0004","16.4483","0.0004","90","","105.384","0.001","90","","3180.89","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Phe exclusion complex","","","- C47 H50 N26 O30 -","- C47 H50 N26 O30 -","- C94 H100 N52 O60 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0936","0.0827","","","0.2047","0.2127","","","","","","1.088","","","","has coordinates","197874","2020-10-21","18:00:00",""
"7228496","12.8204","0.0014","15.4423","0.0009","16.4045","0.0011","90","","103.346","0.004","90","","3160","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Tyr exclusion complex","","","- C47 H50 N26 O29.5 -","- C47 H50 N26 O29.659 -","- C94 H100 N52 O59.318 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.1223","0.0807","","","0.1811","0.2098","","","","","","1.111","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228497","31.3154","0.0005","31.3154","0.0005","14.3835","0.0002","90","","90","","90","","14105.2","0.4","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","cucurbit[6]uril/Gly-Gly exclusion complex","","","- C22 H26 Ca0.25 Cl0.5 N14 O18.38 -","- C22 H26 Ca0.25 Cl0.5 N14 O18.3868 -","- C352 H416 Ca4 Cl8 N224 O294.189 -","16","","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0906","0.0769","","","0.2081","0.2234","","","","","","1.043","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228498","12.6736","0.0002","15.6598","0.0002","16.4846","0.0003","90","","108.761","0.002","90","","3097.81","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Trp exclusion complex","","","- C49 H51 N27 O27.5 -","- C49 H51 N27 O27.473 -","- C98 H102 N54 O54.946 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","1.54184","CuKα","","0.0668","0.0647","","","0.1792","0.182","","","","","","1.042","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228506","13.297","0.002","6.6748","0.0011","19.359","0.003","90","","90","","90","","1718.2","0.5","100","2","100.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 Cs N2 O7 S2 -","- C14 H11 Cs N2 O7 S2 -","- C56 H44 Cs4 N8 O28 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1261","0.1262","","","","","","1.366","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228507","13.113","0.016","6.541","0.008","19.17","0.02","90","","90","","90","","1644","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 N2 O7 Rb S2 -","- C14 H11 N2 O7 Rb S2 -","- C56 H44 N8 O28 Rb4 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0668","0.0546","","","0.127","0.1299","","","","","","1.344","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228508","25.137","0.002","9.5401","0.0009","14.6473","0.0013","90","","94.042","0.002","90","","3503.8","0.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N2 O6.5 Rb2 S2 -","- C14 H9 N2 O6.5 Rb2 S2 -","- C112 H72 N16 O52 Rb16 S16 -","8","1","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.041","0.0356","","","0.079","0.0814","","","","","","1","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228509","25.0793","0.0014","9.734","0.0005","15.1308","0.0008","90","","93.576","0.002","90","","3686.6","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cs2 N2 O6.5 S2 -","- C14 H9 Cs2 N2 O6.5 S2 -","- C112 H72 Cs16 N16 O52 S16 -","8","1","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0332","0.0275","","","0.0769","0.0801","","","","","","1.003","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228510","10.4621","0.0005","11.6521","0.0005","12.3464","0.0005","87.205","0.004","89.13","0.004","88.881","0.004","1502.86","0.11","172.95","0.1","172.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Ca Cl2 Mn N3 O9.95 -","- C25 H24 Ca Cl2 Mn N3 O9.95 -","- C50 H48 Ca2 Cl4 Mn2 N6 O19.9 -","2","1","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","x-ray","0.71073","MoKα","","0.0713","0.0584","","","0.1462","0.1556","","","","","","1.037","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228511","24.66","0.002","11.8933","0.001","20.3808","0.0014","90","","107.529","0.007","90","","5699.9","0.8","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Ca2 Cl4 Mn2 N8 O20 -","- C46 H54 Ca2 Cl4 Mn2 N8 O20 -","- C184 H216 Ca8 Cl16 Mn8 N32 O80 -","4","0.5","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","x-ray","0.71073","MoKα","","0.1294","0.0826","","","0.1918","0.2199","","","","","","1.036","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228512","10.5975","0.0006","11.4166","0.0007","11.7527","0.0006","61.595","0.006","79.18","0.005","68.553","0.005","1163.97","0.14","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 Ca2 Cl0.8 Mn2 N9.2 O19.8 -","- C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 -","- C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 -","1","0.5","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","","1.54184","CuKα","","0.0549","0.0459","","","0.1149","0.1221","","","","","","1.044","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228513","25.8236","0.0003","14.88011","0.0002","27.1462","0.0004","90","","107.259","0.0014","90","","9961.5","0.2","150","0.2","150","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C156 H182 Ca4 Cl8 Mn12 N12 O99 -","- C156 H182 Ca4 Cl8 Mn12 N12 O99 -","- C312 H364 Ca8 Cl16 Mn24 N24 O198 -","2","0.25","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","","1.54184","CuKα","","0.0555","0.0384","","","0.0882","0.0991","","","","","","1.053","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228514","9.4886","0.0007","13.8218","0.001","13.2987","0.001","90","","100.092","0.004","90","","1717.1","0.2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Be3 N4 O12 P4 -","- C6 H14 Be3 N4 O12 P4 -","- C24 H56 Be12 N16 O48 P16 -","4","0.5","","Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi","Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity","CrystEngComm","2017","","","","","10.1039/C7CE00948H","","","0.71073","MoKα","","0.0465","0.0405","","","0.0961","0.0993","","","","","","1.053","","","","has coordinates","197900","2020-10-21","18:00:00",""
"7228515","8.3233","0.0005","8.4561","0.0006","13.3101","0.0008","96.149","0.003","95.184","0.003","111.344","0.003","859.02","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Be3 N4 O12 P4 -","- C6 H14 Be3 N4 O12 P4 -","- C12 H28 Be6 N8 O24 P8 -","2","1","","Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi","Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity","CrystEngComm","2017","","","","","10.1039/C7CE00948H","","","0.71073","MoKα","","0.0599","0.0583","","","0.14","0.1412","","","","","","1.119","","","","has coordinates","197900","2020-10-21","18:00:00",""
"7228518","18.455","0.004","14.363","0.003","15.938","0.003","90","","113.45","0.03","90","","3875.7","1.6","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)","","- C28 H18 O2 -","- C28 H18 O2 -","- C224 H144 O16 -","8","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0446","0.0387","","","0.0982","0.1033","","","","","","1.04","","","","has coordinates","197955","2020-10-21","18:00:00",""
"7228519","8.513","0.0017","9.548","0.0019","12.017","0.002","101.52","0.03","103.71","0.03","114.49","0.03","813","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (2-pentanol) Clathrate","","- C38 H42 O4 -","- C38 H42 O4 -","- C38 H42 O4 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0549","0.0455","","","0.1139","0.1209","","","","","","1.032","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228520","9.6915","0.0019","15.38","0.003","16.438","0.003","91.21","0.03","98.29","0.03","91.87","0.03","2422.5","0.8","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-pentanol) Clathrate","","- C114 H125 O12 -","- C114 H125 O12 -","- C114 H125 O12 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0694","0.0455","","","0.107","0.1201","","","","","","1.027","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228521","8.8074","0.0018","13.145","0.003","14.259","0.003","75.84","0.03","73.56","0.03","78.7","0.03","1520.9","0.6","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (1-butanol) Clathrate","","- C36 H38 O4 -","- C36 H38 O4 -","- C72 H76 O8 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0662","0.0457","","","0.1026","0.1137","","","","","","1.022","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228522","9.7243","0.0019","10.424","0.002","14.814","0.003","94.05","0.03","102.03","0.03","93.31","0.03","1460.9","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)","","- C28 H18 O2 -","- C28 H18 O2 -","- C84 H54 O6 -","3","1.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0516","0.0418","","","0.1","0.1068","","","","","","1.025","","","","has coordinates","197955","2020-10-21","18:00:00",""
"7228523","9.869","0.002","13.153","0.003","14.186","0.003","63.18","0.03","86.27","0.03","83.31","0.03","1632","0.7","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-methyl2-butanol) Clathrate","","- C38 H42 O4 -","- C38.005 H42.011 O4.001 -","- C76.01 H84.022 O8.002 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.06","0.0488","","","0.1243","0.1332","","","","","","1.03","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228524","4.3125","0.0003","4.3125","0.0003","4.9711","0.0004","90","","90","","120","","80.065","0.01","99.99","0.14","100","1","","","","","","","","1","P 31 2 1","P 31 2""","152","Grey selenium","Selenium","","- Se -","- Se -","- Se3 -","3","0.5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0409","0.0409","","","0.109","0.109","","","","","","1.381","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228525","7.12511","0.00016","16.8803","0.0004","24.7194","0.0005","108.455","0.002","91.6884","0.0017","98.597","0.002","2779.15","0.11","100","0.11","100","0.11","","","","","","","No.","5","P -1","-P 1","2","","4-[3-(trifluoromethyl)phenyl]-3H-1,2,3,5-Dithiadiazol-3-yl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C96 H48 F36 N24 S24 -","12","6","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0744","0.065","","","0.1609","0.1678","","","","","","1.059","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228526","9.379","0.003","10.667","0.004","20.458","0.007","80.562","0.004","84.783","0.004","81.218","0.004","1990.8","1.2","173","2","173","2","","","101","","","","","4","P -1","-P 1","2","","4-(3-cyano-5-tertbutyl-phenyl)-3H-1,2,3,5-diselenadiazol-3-yl","","- C12 H12 N3 Se2 -","- C12 H12 N3 Se2 -","- C72 H72 N18 Se12 -","6","3","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","0.71073","MoKα","","0.1016","0.0532","","","0.1022","0.117","","","","","","0.918","","","","has coordinates,has disorder","198021","2020-10-21","18:00:00",""
"7228527","21.1972","0.0016","10.6954","0.0008","28.994","0.002","90","","93.661","0.001","90","","6559.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-cyano-5-tertbutyl-phenyl)-3H-1,2,3,5-diselenadiazol-3-yl","","- C12 H12 N3 Se2 -","- C12 H12 N3 Se2 -","- C240 H240 N60 Se40 -","20","5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","0.71073","MoKα","","0.0676","0.0379","","","0.074","0.0817","","","","","","1.036","","","","has coordinates,has disorder","198021","2020-10-21","18:00:00",""
"7228537","13.6727","0.0012","17.6172","0.0015","14.8361","0.0013","90","","116.334","0.001","90","","3202.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N5 O6 -","- C37 H33 N5 O6 -","- C148 H132 N20 O24 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.0486","0.0382","","","0.0955","0.1026","","","","","","1.026","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228538","27.427","0.005","7.6402","0.0015","21.038","0.004","90","","119.263","0.002","90","","3845.9","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C176 H152 N24 O32 -","8","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.0435","0.0385","","","0.1018","0.1058","","","","","","1.054","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228539","12.6443","0.0018","7.5232","0.0011","34.674","0.005","90","","96.811","0.003","90","","3275.1","0.8","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N5 O6 -","- C38 H35 N5 O6 -","- C152 H140 N20 O24 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.052","0.0377","","","0.0839","0.0915","","","","","","1.012","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228543","27.973","0.001","27.973","0.001","27.973","0.001","90","","90","","90","","21888.6","1.4","293","2","293","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C68 H79.5 Cd3 K6 N16 O39.75 -","- C54 H24 Cd3 K6 N12 O33.75 -","- C432 H192 Cd24 K48 N96 O270 -","8","0.166667","","Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu","Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages","CrystEngComm","2017","","","","","10.1039/C7CE00803A","","","0.71073","MoKα","","0.0426","0.0415","","","0.1083","0.1094","","","","","","1.031","","","","has coordinates","198149","2020-10-21","18:00:00",""
"7228544","28.0152","0.0016","28.0152","0.0016","28.0152","0.0016","90","","90","","90","","21988","2","293","2","293","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C68 H79.5 Cd3 N16 O39.75 Rb6 -","- C54 H24 Cd3 N12 O33.75 Rb6 -","- C432 H192 Cd24 N96 O270 Rb48 -","8","0.166667","","Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu","Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages","CrystEngComm","2017","","","","","10.1039/C7CE00803A","","","0.71073","MoKα","","0.0592","0.0567","","","0.1596","0.1621","","","","","","1.033","","","","has coordinates","198149","2020-10-21","18:00:00",""
"7228545","10.1876","0.0005","10.6755","0.0005","17.318","0.0008","84.568","0.001","87.893","0.001","79.892","0.001","1845.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 Cl0 Co3 N12 O26 -","- C78 H72 Co3 N12 O26 -","- C78 H72 Co3 N12 O26 -","1","0.5","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0541","0.0396","","","0.1091","0.1221","","","","","","0.999","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228546","10.3445","0.0007","13.5425","0.0008","22.8387","0.0013","90","","98.715","0.001","90","","3162.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl0 Co N4 O8 -","- C34 H28 Co N4 O8 -","- C136 H112 Co4 N16 O32 -","4","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.072","0.0442","","","0.1086","0.1229","","","","","","0.998","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228547","9.5613","0.0005","17.9661","0.0009","18.761","0.001","90","","101.496","0.001","90","","3158.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl0 Co N4 O7 -","- C34 H28 Co N4 O7 -","- C136 H112 Co4 N16 O28 -","4","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0745","0.0543","","","0.1651","0.182","","","","","","1.036","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228548","11.387","0.003","11.587","0.003","11.304","0.003","90","","90.075","0.005","90","","1491.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl0 Co N4 O10 -","- C28 H30 Co N4 O10 -","- C56 H60 Co2 N8 O20 -","2","0.5","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.1022","0.0531","","","0.115","0.1352","","","","","","1.018","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228549","10.1194","0.0009","10.7614","0.0009","14.2972","0.0012","103.027","0.002","92.41","0.002","110.531","0.002","1408","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl0 Co N5 O10 -","- C28 H25 Co N5 O10 -","- C56 H50 Co2 N10 O20 -","2","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0944","0.0529","","","0.1069","0.1233","","","","","","1.001","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228550","8.752","0.0006","10.1217","0.0007","10.4337","0.0008","74.264","0.001","73.235","0.001","79.99","0.001","847.22","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl0 Co N3 O6 -","- C18 H14 Co N3 O6 -","- C36 H28 Co2 N6 O12 -","2","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.05","0.0403","","","0.1054","0.1115","","","","","","1.014","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228551","6.6699","0.0005","34.308","0.003","9.1378","0.001","90","","102.639","0.005","90","","2040.3","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F3 I3 N2 -","- C20 H8 F3 I3 N2 -","- C80 H32 F12 I12 N8 -","4","1","","Zhang, Pan; Bolla, Geetha; Qiu, Gege; Shu, Zhibin; Yan, Qingqing; Li, Qingyuan; Ding, Shang; Ni, Zhenjie; Zhu, Weigang; dong, huanli; Zhen, Yonggang; Hu, Wenping","Halogen bond cocrystal polymorphs of the 1,4‒di(4’‒pyridyl)‒1,3‒diacetylene","CrystEngComm","2017","","","","","10.1039/C7CE00892A","","","0.71073","MoKα","","0.0351","0.0316","","","0.0614","0.063","","","","","","1.201","","","","has coordinates","198151","2020-10-21","18:00:00",""
"7228552","10.309","0.002","8.9709","0.0018","22.251","0.005","90","","97.88","0.03","90","","2038.4","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 F3 I3 N2 -","- C20 H8 F3 I3 N2 -","- C80 H32 F12 I12 N8 -","4","1","","Zhang, Pan; Bolla, Geetha; Qiu, Gege; Shu, Zhibin; Yan, Qingqing; Li, Qingyuan; Ding, Shang; Ni, Zhenjie; Zhu, Weigang; dong, huanli; Zhen, Yonggang; Hu, Wenping","Halogen bond cocrystal polymorphs of the 1,4‒di(4’‒pyridyl)‒1,3‒diacetylene","CrystEngComm","2017","","","","","10.1039/C7CE00892A","","","0.71073","MoKα","","0.0462","0.0413","","","0.0641","0.0657","","","","","","1.26","","","","has coordinates","198151","2020-10-21","18:00:00",""
"7228556","10.5498","0.0005","11.5578","0.0008","12.2337","0.0008","113.32","0.006","105.223","0.005","100.116","0.005","1254.24","0.17","298.54","0.1","298.54","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Dy2 N14 O16 -","- C44 H48 Dy2 N14 O16 -","- C44 H48 Dy2 N14 O16 -","1","0.5","","Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan","Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure","CrystEngComm","2017","","","","","10.1039/C7CE00747G","","x-ray","0.71073","MoKα","","0.0627","0.0488","","","0.0761","0.0865","","","","","","0.9946","","","","has coordinates","198184","2020-10-21","18:00:00",""
"7228557","10.5185","0.0004","12.0831","0.0004","16.6476","0.0004","104.64","0.003","93.446","0.003","92.084","0.003","2040.53","0.12","212","30","212","30","","","","","","","","5","P -1","-P 1","2","","","","- C78 H66 Dy4 N18 O22 -","- C78 H66 Dy4 N18 O22 -","- C78 H66 Dy4 N18 O22 -","1","0.5","","Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan","Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure","CrystEngComm","2017","","","","","10.1039/C7CE00747G","","x-ray","1.54184","CuKα","","0.0412","0.0338","","","0.0801","0.0857","","","","","","1.0244","","","","has coordinates","198184","2020-10-21","18:00:00",""
"7228558","27.619","0.003","12.3795","0.0015","13.8652","0.0017","90","","118.922","0.002","90","","4149.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Mn N3 O6.5 -","- C23 H18 Mn N3 O6.5 -","- C184 H144 Mn8 N24 O52 -","8","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0649","0.0417","","","0.0989","0.1112","","","","","","1.016","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228559","8.6165","0.0014","10.7021","0.0017","10.9629","0.0017","78.643","0.002","87.65","0.002","79.496","0.003","974.5","0.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Cl Mn N3 O4 -","- C23 H14 Cl Mn N3 O4 -","- C46 H28 Cl2 Mn2 N6 O8 -","2","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"7228560","8.613","0.003","18.593","0.006","38.594","0.012","90","","90","","90","","6181","4","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H13 N3 O4 Zn -","- C23 H13 N3 O4 Zn -","- C184 H104 N24 O32 Zn8 -","8","0.5","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0412","0.0336","","","0.0761","0.0793","","","","","","0.974","","","","has coordinates,has disorder","198185","2020-10-21","18:00:00",""
"7228561","12.2314","0.0017","10.9907","0.0016","15.501","0.002","90","","100.877","0.002","90","","2046.4","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O5 Zn -","- C23 H15 N3 O5 Zn -","- C92 H60 N12 O20 Zn4 -","4","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.1156","0.0501","","","0.1074","0.133","","","","","","0.969","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228562","11.367","0.004","11.691","0.004","20.986","0.007","80.658","0.006","74.738","0.005","73.042","0.006","2562.4","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Mn2 N6 O19 -","- C46 H48 Mn2 N6 O19 -","- C92 H96 Mn4 N12 O38 -","2","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.1056","0.0672","","","0.1954","0.2214","","","","","","1.028","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228576","7.131","0.005","10.833","0.008","16.834","0.016","103.207","0.013","96.13","0.013","107.927","0.009","1182.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cu N2 O14 -","- C21 H22 Cu N2 O14 -","- C42 H44 Cu2 N4 O28 -","2","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0553","0.0401","","","0.1039","0.1094","","","","","","1.027","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228577","7.9068","0.0007","9.2354","0.0009","11.096","0.001","104.38","0.001","106.168","0.001","101.919","0.001","719.97","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu N4 O12 -","- C32 H24 Cu N4 O12 -","- C32 H24 Cu N4 O12 -","1","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0486","0.0397","","","0.1024","0.1075","","","","","","1.047","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228578","21.289","0.003","10.6498","0.0016","15.634","0.002","90","","105.939","0.002","90","","3408.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cu0.5 N2 O7 -","- C19 H15 Cu0.5 N2 O7 -","- C152 H120 Cu4 N16 O56 -","8","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0394","0.0304","","","0.0814","0.085","","","","","","0.989","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228579","15.436","0.002","10.2155","0.0017","12.2521","0.0019","90","","90","","90","","1932","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cu2 N2 O9 -","- C20 H14 Cu2 N2 O9 -","- C80 H56 Cu8 N8 O36 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0254","0.0241","","","0.0637","0.0643","","","","","","1.071","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228580","23.644","0.003","11.6083","0.0016","18.18","0.003","90","","119.007","0.001","90","","4363.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cu4 N4 O21 -","- C46 H34 Cu4 N4 O21 -","- C184 H136 Cu16 N16 O84 -","4","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0335","0.0289","","","0.077","0.0794","","","","","","1.057","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228581","10.208","0.006","16.333","0.009","27.106","0.015","90","","94.515","0.014","90","","4505","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cu4 N4 O23 -","- C37 H27 Cu4 N4 O23 -","- C148 H108 Cu16 N16 O92 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0504","0.0468","","","0.1447","0.1467","","","","","","1.099","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228582","23.809","0.003","11.5102","0.0012","18.1434","0.0019","90","","119.925","0.001","90","","4309.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cu2 N2 O9 -","- C23 H17 Cu2 N2 O9 -","- C184 H136 Cu16 N16 O72 -","8","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0256","0.0229","","","0.0629","0.0642","","","","","","1.062","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228583","13.744","0.017","7.959","0.01","16.19","0.02","90","","94.942","0.015","90","","1764","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cu0.5 N2 O7 -","- C19 H17 Cu0.5 N2 O7 -","- C76 H68 Cu2 N8 O28 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.1002","0.0656","","","0.1581","0.1877","","","","","","0.837","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228584","8.658","0.005","8.814","0.005","13.685","0.005","99.284","0.005","95.029","0.005","102.349","0.005","998.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cu N4 O22 -","- C40 H42 Cu N4 O22 -","- C40 H42 Cu N4 O22 -","1","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.037","0.0313","","","0.0859","0.0886","","","","","","1.113","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228585","11.7804","0.0005","12.0677","0.0006","14.8096","0.0008","99.043","0.002","94.199","0.002","93.992","0.002","2066.57","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Br18 N6 O14 Pb6 -","- C48 H58 Br18 N6 O14 Pb6 -","- C48 H58 Br18 N6 O14 Pb6 -","1","0.5","","Sun, Cai; Wang, Ming-Sheng; Zhang, Xian; Zhang, Ning-Ning; Cai, Lin-Rong; Guo, Guo-Cong","Viologen-Templated Bromoplumbate: A New in situ Synthetic Method and Energy Gap Engineering","CrystEngComm","2017","","","","","10.1039/C7CE00919D","","","0.71073","MoKα","","0.0602","0.0393","","","0.0794","0.0823","","","","","","0.985","","","","has coordinates","198223","2020-10-21","18:00:00",""
"7228586","8.4909","0.0018","17.309","0.004","8.0641","0.0017","90","","101.652","0.004","90","","1160.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1246","0.1004","","","0.1768","0.1879","","","","","","1.208","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228587","12.419","0.003","6.8084","0.0014","13.235","0.003","90","","109.272","0.003","90","","1056.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N O8 S -","- C7 H11 N O8 S -","- C28 H44 N4 O32 S4 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0543","0.0473","","","0.1043","0.1077","","","","","","1.162","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228588","8.187","0.005","15.276","0.01","17.425","0.011","90","","90","","90","","2179","2","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1736","0.0954","","","0.1719","0.2069","","","","","","1.038","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228589","16.767","0.004","6.8109","0.0014","22.399","0.005","90","","90","","90","","2557.9","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cl3 N O5 -","- C9 H8 Cl3 N O5 -","- C72 H64 Cl24 N8 O40 -","8","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1005","0.097","","","0.2266","0.2298","","","","","","1.13","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228590","6.71","0.004","11.379","0.007","12.011","0.007","108.276","0.01","90.859","0.011","102.008","0.01","848.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O11 S -","- C14 H18 N2 O11 S -","- C28 H36 N4 O22 S2 -","2","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1374","0.0621","","","0.0992","0.1172","","","","","","0.839","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228591","6.6805","0.0007","18.0494","0.0018","8.8346","0.0009","90","","96.66","0.002","90","","1058.08","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 S -","- C8 H11 N O6 S -","- C32 H44 N4 O24 S4 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0333","0.0323","","","0.0846","0.0855","","","","","","1.058","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228592","5.261","0.003","35.453","0.02","5.591","0.003","90","","103.839","0.011","90","","1012.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O7 -","- C7 H10 N2 O7 -","- C28 H40 N8 O28 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0993","0.0788","","","0.1585","0.1685","","","","","","1.144","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228593","8.401","0.003","9.361","0.004","14.212","0.006","101.827","0.008","96.58","0.008","106.511","0.008","1030.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N4 O3 -","- C25 H22 N4 O3 -","- C50 H44 N8 O6 -","2","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1341","0.0823","","","0.2271","0.2572","","","","","","1.077","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228594","6.5529","0.001","17.206","0.003","8.519","0.0013","90","","102.731","0.003","90","","936.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0855","0.0767","","","0.1696","0.1748","","","","","","1.21","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228595","9.397","0.003","8.445","0.002","21.93","0.006","90","","91.071","0.005","90","","1740","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0689","0.0543","","","0.1249","0.1322","","","","","","1.102","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228596","15.0721","0.0008","15.6298","0.0009","17.039","0.001","90","","92.792","0.002","90","","4009.2","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C162 H152 Ag4 As4 B4 F32 N16 O4 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.0742","0.0442","","","0.0916","0.1037","","","","","","1.024","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228597","10.2626","0.0005","19.2729","0.001","21.5355","0.0011","112.493","0.002","91.099","0.002","92.32","0.002","3929.5","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Ag2 B2 Cl8 F4 N8 O8 -","- C78 H64 Ag2 B2 Cl8 F4 N8 O8 -","- C156 H128 Ag4 B4 Cl16 F8 N16 O16 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1646","0.0631","","","0.1677","0.2037","","","","","","1.055","","","","has coordinates,has disorder","198226","2020-10-21","18:00:00",""
"7228598","8.0763","0.0004","18.6613","0.0011","10.3428","0.0005","90","","91.98","0.002","90","","1557.88","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H31 B F2 N4 -","- C38 H31 B F2 N4 -","- C76 H62 B2 F4 N8 -","2","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1091","0.0645","","","0.1318","0.1531","","","","","","1.109","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228599","12.7233","0.0005","14.9725","0.0006","23.8231","0.001","90.384","0.002","91.008","0.002","103.876","0.002","4404.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","1","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.17","0.0862","","","0.2291","0.2786","","","","","","1.037","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228600","9.9301","0.0008","23.0445","0.0019","13.4889","0.0011","90","","99.355","0.005","90","","3045.7","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N4 -","- C38 H32 N4 -","- C152 H128 N16 -","4","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1698","0.0657","","","0.1454","0.1871","","","","","","0.999","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228601","18.9253","0.0008","8.4818","0.0004","24.5491","0.0011","90","","101.466","0.002","90","","3862","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Ag B2 Cl3 F6 N4 -","- C39 H32 Ag B2 Cl3 F6 N4 -","- C156 H128 Ag4 B8 Cl12 F24 N16 -","4","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1842","0.1248","","","0.3275","0.3709","","","","","","1.025","","","","has coordinates,has disorder","198226","2020-10-21","18:00:00",""
"7228602","7.814","0.0013","5.7599","0.001","10.8324","0.0019","90","","90","","90","","487.54","0.15","130","2","130","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluorodithietane","2,2,4,4-tetrafluoro-1,3-dithietane","","- C2 F4 S2 -","- C2 F4 S2 -","- C8 F16 S8 -","4","0.5","","nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Fluorination promotes chalcogen/tetrel bonding in crystalline solids","CrystEngComm","2017","","","","","10.1039/C7CE01070B","","","0.71073","MoKα","","0.0358","0.0271","","","0.0625","0.0649","","","","","","0.958","","","","has coordinates","198227","2020-10-21","18:00:00",""
"7228603","27.217","0.005","10.277","0.002","14.795","0.003","90","","110.06","0.03","90","","3887.2","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 F8 I2 N6 -","- C40 H30 F8 I2 N6 -","- C160 H120 F32 I8 N24 -","4","0.5","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0358","0.0285","","","0.0742","0.0762","","","","","","1.086","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228604","6.2963","0.0013","10.568","0.002","22.978","0.005","90","","92.7","0.03","90","","1527.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 F4 I N2 -","- C15 H11 F4 I N2 -","- C60 H44 F16 I4 N8 -","4","2","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0784","0.0569","","","0.1261","0.1366","","","","","","1.058","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228630","29.018","0.003","15.7877","0.0017","19.16","0.002","90","","107.517","0.001","90","","8370.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 N4 O25 Zn5 -","- C58 H48 N4 O25 Zn5 -","- C232 H192 N16 O100 Zn20 -","4","0.5","","Liu, Jian-Qiang; Kumar, Abhinav; SINGH, AMITA; Jin, Jun-Cheng; Deng, Fang-Yuan; Wu, Xiren; Luo, Zhidong","Luminescent sensing and photocatalytic degradation properties of an uncommon (4,5,5)-connected 3D MOF based on 3,5-di(3′, 5′-dicarboxylphenyl)benzoic acid: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01012E","","","0.71073","MoKα","","0.1435","0.089","","","0.2316","0.2574","","","","","","1.445","","","","has coordinates,has disorder","198445","2020-10-21","18:00:00",""
"7228631","24.267","0.003","16.0881","0.0019","12.0926","0.0015","90","","115.822","0.003","90","","4249.7","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cl2 Cu2 N6 O12 -","- C44 H32 Cl2 Cu2 N6 O12 -","- C176 H128 Cl8 Cu8 N24 O48 -","4","0.5","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.1485","0.0884","","","0.1795","0.2077","","","","","","1.016","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228632","12.7752","0.0008","24.8336","0.0015","13.2397","0.0008","90","","113.343","0.001","90","","3856.5","0.4","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Cl2 Cu2 F4 N6 O12 -","- C38 H22 Cl2 Cu2 F4 N6 O12 -","- C152 H88 Cl8 Cu8 F16 N24 O48 -","4","1","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.069","0.0402","","","0.0696","0.0749","","","","","","0.817","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228633","9.685","0.001","10.557","0.001","12.396","0.001","107.106","0.002","100.958","0.002","96.022","0.002","1171.67","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Cu2 F8 N6 O14 -","- C46 H34 Cu2 F8 N6 O14 -","- C46 H34 Cu2 F8 N6 O14 -","1","0.5","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.0522","0.0409","","","0.0899","0.0936","","","","","","0.951","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228654","7.7705","0.0005","21.1114","0.0015","29.069","0.002","90","","90","","90","","4768.7","0.6","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C13 H34 Br3 N O8 Pb -","- C13 H34 Br3 N O8 Pb -","- C104 H272 Br24 N8 O64 Pb8 -","8","1","","Kollek, Tom; Polarz, Sebastian","Facet-Controlled Preparation of Hybrid Perovskite Microcrystals in the Gas Phase and the Remarkable Effect on Optoelectronic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00839B","","","0.71073","MoKα","","0.0659","0.0475","","","0.1213","0.134","","","","","","1.014","","","","has coordinates","198565","2020-10-21","18:00:00",""
"7228655","23.508","0.005","5.978","0.0012","25.257","0.005","90","","99.95","0.03","90","","3496","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H22 Cu3 N8 O10 -","- C32 H22 Cu3 N8 O10 -","- C128 H88 Cu12 N32 O40 -","4","0.5","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0378","0.036","","","0.1009","0.1029","","","","","","1.05","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228656","7.483","0.0015","14.109","0.003","17.972","0.004","90","","90","","90","","1897.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Mn N5 O5 -","- C19 H17 Mn N5 O5 -","- C76 H68 Mn4 N20 O20 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0453","0.0453","","","0.1229","0.1229","","","","","","1.074","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228657","22.5432","0.0016","7.6652","0.0004","22.7737","0.0011","90","","102.378","0.006","90","","3843.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N10 O10 Zn2 -","- C38 H34 N10 O10 Zn2 -","- C152 H136 N40 O40 Zn8 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0688","0.0533","","","0.1164","0.1297","","","","","","1.159","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228658","8.227","0.0006","21.5096","0.0009","23.8825","0.0011","90","","90","","90","","4226.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N5 O6 Zn -","- C20 H21 N5 O6 Zn -","- C160 H168 N40 O48 Zn8 -","8","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0435","0.035","","","0.0808","0.0871","","","","","","1.056","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228659","7.585","0.0015","14.052","0.003","18.237","0.004","90","","90","","90","","1943.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0515","0.0511","","","0.1468","0.1485","","","","","","1.095","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228660","8.8008","0.001","10.319","0.002","11.1239","0.001","90","","96.59","0.01","90","","1003.5","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 I N2 O S -","- C6 H10 I N2 O S -","- C24 H40 I4 N8 O4 S4 -","4","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.0252","0.0192","","","0.0503","0.0523","","","","","","1.06","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228661","7.786","0.003","8.719","0.004","9.403","0.004","62.62","0.04","89.52","0.04","66.88","0.04","509.6","0.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H8 Br I N2 O S -","- C5 H8 Br I N2 O S -","- C10 H16 Br2 I2 N4 O2 S2 -","2","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.05","0.0307","","","0.115","0.1864","","","","","","1.323","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228662","7.9","0.002","11.379","0.003","12.977","0.005","90","","95.6","0.03","90","","1161","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 I2 N2 O S -","- C6 H10 I2 N2 O S -","- C24 H40 I8 N8 O4 S4 -","4","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.0383","0.0258","","","0.0683","0.0721","","","","","","1.103","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228663","12.3804","0.0005","25.0918","0.0008","15.6377","0.0005","90","","110.287","0.002","90","","4556.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 N2 O10 S3 -","- C45 H36 N2 O10 S3 -","- C180 H144 N8 O40 S12 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.1003","0.072","","","0.2274","0.248","","","","","","1.097","","","","has coordinates,has disorder","198568","2020-10-21","18:00:00",""
"7228664","16.8196","0.0007","14.4225","0.0005","17.2295","0.0008","90","","99.568","0.003","90","","4121.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.6 H52.8 N2 O10.52 S1.8 -","- C42.6 H52.8 N2 O10.521 S1.8 -","- C170.4 H211.2 N8 O42.084 S7.2 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.1042","0.0736","","","0.2154","0.2409","","","","","","1.045","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228665","20.6307","0.0007","20.0351","0.0008","12.2542","0.0004","90","","90","","90","","5065.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H45 N3 O6 -","- C48 H45 N3 O6 -","- C192 H180 N12 O24 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.101","0.0494","","","0.0875","0.0962","","","","","","0.975","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228666","9.8504","0.0001","7.4915","0.0002","31.4272","0.0008","90","","90","","90","","2319.15","0.09","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C104 H80 Cl8 N8 O16 -","8","1","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.119","0.0531","","","0.1269","0.1573","","","","","","0.988","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228667","8.2249","0.0002","10.1269","0.0003","13.7993","0.0004","88.2266","0.0011","85.954","0.0011","81.4168","0.0011","1133.43","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","2","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.0908","0.0433","","","0.0853","0.0993","","","","","","0.986","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228668","9.9015","0.0002","10.7701","0.0002","11.3935","0.0002","90.2523","0.0008","103.899","0.0008","102.716","0.0008","1148.4","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","2","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.0668","0.0402","","","0.1015","0.1148","","","","","","1.051","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228685","8.6672","0.0005","24.3174","0.0015","10.4133","0.0006","90","","108.696","0.001","90","","2078.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu O11 -","- C16 H24 Cu O11 -","- C64 H96 Cu4 O44 -","4","1","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0848","0.0492","","","0.1242","0.1414","","","","","","1.024","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7228686","11.6167","0.0006","11.6167","0.0006","27.984","0.0014","90","","90","","90","","3776.4","0.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H50 Co N2 O11 -","- C34 H50 Co N2 O11 -","- C136 H200 Co4 N8 O44 -","4","0.5","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0828","0.0439","","","0.0892","0.1014","","","","","","1.033","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7228687","34.9049","0.0014","14.9409","0.0006","34.5319","0.0014","90","","107.565","0.0008","90","","17169.1","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.56 H48.48 I6 N12 Zn3 -","- C64.574 H48.492 I6 N12 Zn3 -","- C516.592 H387.936 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.0586","0.0524","","","0.1735","0.1811","","","","","","1.029","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228688","14.9223","0.0008","18.9078","0.0011","32.591","0.0018","102.728","0.001","91.7744","0.001","110.796","0.0009","8324.8","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88.57 H64.57 I12 N24 O6.21 Zn6 -","- C88.568 H64.568 I12 N24 O6.213 Zn6 -","- C177.136 H129.136 I24 N48 O12.426 Zn12 -","2","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.0842","0.0718","","","0.2339","0.2452","","","","","","1.06","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228689","35.2912","0.0017","14.8832","0.0007","30.9415","0.0015","90","","101.827","0.001","90","","15906.9","1.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44.03 H34.79 F1.99 I6 N13.99 O0.68 Zn3 -","- C44.031 H34.788 F1.989 I6 N13.989 O0.678 Zn3 -","- C352.248 H278.304 F15.912 I48 N111.912 O5.424 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","","0.41328","synchrotron","","0.0747","0.0576","","","0.2032","0.2271","","","","","","1.158","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228690","35.252","0.002","14.8612","0.0008","35.233","0.002","90","","108.117","0.0011","90","","17543.1","1.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C89.08 H75.94 I12 N24 O5.28 Zn6 -","- C89.065 H75.922 I12 N24 O5.275 Zn6 -","- C356.26 H303.688 I48 N96 O21.1 Zn24 -","4","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.082","0.07","","","0.2199","0.2336","","","","","","1.073","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228691","32.664","0.007","11.254","0.002","30.378","0.006","90","","111.76","0.03","90","","10371","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H136 Dy6 N6 O44 -","- C90 H132 Dy6 N6 O42 -","- C360 H528 Dy24 N24 O168 -","4","0.5","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.061","0.0559","","","0.1662","0.1722","","","","","","1.076","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228692","26.742","0.004","26.742","0.004","78.391","0.016","90","","90","","120","","48549","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 N6 O44 Tb6 -","- C90 H132 N6 O42 Tb6 -","- C1620 H2376 N108 O756 Tb108 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0414","0.0341","","","0.0876","0.0911","","","","","","1.05","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228693","26.842","0.004","26.842","0.004","78.271","0.016","90","","90","","120","","48838","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 Gd6 N6 O44 -","- C90 H132 Gd6 N6 O42 -","- C1620 H2376 Gd108 N108 O756 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0299","0.0283","","","0.0764","0.0775","","","","","","1.013","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228701","24.1447","0.0005","13.0986","0.0003","16.033","0.0004","90","","97.903","0.002","90","","5022.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Co N6 O4.5 -","- C27 H17 Co N6 O4.5 -","- C216 H136 Co8 N48 O36 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","1.54178","CuKα","","0.0714","0.0535","","","0.1378","0.148","","","","","","1.056","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228702","15.3687","0.0018","12.8671","0.0016","24.517","0.003","90","","98.481","0.002","90","","4795.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N6 O4.5 -","- C26 H17 Co N6 O4.5 -","- C208 H136 Co8 N48 O36 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.0638","0.0376","","","0.0915","0.1135","","","","","","1.034","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228703","28.6922","0.0014","13.6439","0.0006","14.4273","0.0007","90","","112.028","0.005","90","","5235.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N7 O7 -","- C26 H17 Co N7 O7 -","- C208 H136 Co8 N56 O56 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","1.54178","CuKα","","0.0549","0.0409","","","0.1081","0.123","","","","","","1.058","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228704","24.418","0.003","13.0005","0.0015","15.5741","0.0018","90","","99.982","0.001","90","","4869.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N6 O5.5 -","- C26 H15 Co N6 O5.5 -","- C208 H120 Co8 N48 O44 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.1115","0.0614","","","0.1424","0.1778","","","","","","0.972","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228705","26.7166","0.0008","26.7166","0.0008","21.7748","0.0013","90","","90","","120","","13460.1","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H27 Co N4 O6 -","- C26 H25 Co N4 O6 -","- C468 H450 Co18 N72 O108 -","18","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.076","0.0491","","","0.1457","0.1732","","","","","","1.17","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228706","8.5875","0.0008","10.3508","0.0008","10.6762","0.0008","67.884","0.007","86.63","0.007","68.351","0.008","813.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.087","0.0492","","","0.0971","0.1099","","","","","","1.02","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228707","8.5007","0.0014","10.3965","0.0011","10.9102","0.0017","67.863","0.011","84.552","0.015","71.048","0.013","844.3","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O10 -","- C32 H46 N6 O10 -","- C32 H46 N6 O10 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1283","0.07","","","0.1597","0.1966","","","","","","0.993","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228708","8.814","0.003","9.0944","0.0018","10.982","0.004","78.86","0.02","87.55","0.03","66.35","0.02","790.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1766","0.0762","","","0.188","0.2567","","","","","","0.986","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228709","8.5852","0.0015","10.4929","0.0017","10.556","0.002","68.11","0.009","86.318","0.01","67.035","0.009","808.7","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40.32 N6 O9.16 -","- C30 H40.32 N6 O9.16 -","- C30 H40.32 N6 O9.16 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1183","0.0582","","","0.1328","0.156","","","","","","0.925","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228710","10.0489","0.0009","10.2562","0.0009","12.5596","0.0011","90","","103.397","0.001","90","","1259.21","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Co N2 O10 S -","- C4 H16 Co N2 O10 S -","- C16 H64 Co4 N8 O40 S4 -","4","1","","Mu, Rong; Xu, Guan-Cheng; Zhang, Ying-Ying; Zhang, Li; Jia, Dianzeng","Switchable dielectric phase transition originating from disorder-order transformation and distortion in {[(C4H4N2)Co(H2O)4]SO4•2H2O}n","CrystEngComm","2017","","","","","10.1039/C7CE01096F","","","0.71073","MoKα","","0.0246","0.021","","","0.0545","0.0574","","","","","","1.022","","","","has coordinates","198872","2020-10-21","18:00:00",""
"7228711","10.0656","0.0013","10.2656","0.0014","12.628","0.0017","90","","104.151","0.002","90","","1265.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N2 O10 S -","- C4 H16 Co N2 O10 S -","- C16 H64 Co4 N8 O40 S4 -","4","0.5","","Mu, Rong; Xu, Guan-Cheng; Zhang, Ying-Ying; Zhang, Li; Jia, Dianzeng","Switchable dielectric phase transition originating from disorder-order transformation and distortion in {[(C4H4N2)Co(H2O)4]SO4•2H2O}n","CrystEngComm","2017","","","","","10.1039/C7CE01096F","","","0.71073","MoKα","","0.0386","0.0366","","","0.1061","0.1079","","","","","","1.097","","","","has coordinates,has disorder","198872","2020-10-21","18:00:00",""
"7228714","11.409","0.004","7.015","0.002","17.742","0.006","90","","102.483","0.003","90","","1386.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 As Cl4 Ga S2 -","- C7 H6 As Cl4 Ga S2 -","- C28 H24 As4 Cl16 Ga4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0248","0.0218","","","0.0531","0.0547","","","","","","1.071","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228715","9.224","0.0002","9.6289","0.0003","10.8161","0.0003","81.12","0.002","76.281","0.002","84.486","0.002","920.29","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 As Cl S2 -","- C7 H6 As Cl S2 -","- C28 H24 As4 Cl4 S8 -","4","2","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71069","MoKα","","0.0412","0.0311","","","0.0765","0.0804","","","","","","1.031","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228716","6.0319","0.0005","15.6876","0.0014","9.6731","0.0006","90","","90.601","0.008","90","","915.28","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 As Cl S2 -","- C7 H6 As Cl S2 -","- C28 H24 As4 Cl4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0212","0.0191","","","0.0467","0.0484","","","","","","1.261","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228717","11.221","0.008","11.615","0.008","11.965","0.008","76.144","0.008","67.962","0.007","87.166","0.008","1402","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 As3 Cl2 N S6 -","- C22 H20 As3 Cl2 N S6 -","- C44 H40 As6 Cl4 N2 S12 -","2","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1091","0.0806","","","0.1452","0.1545","","","","","","1.203","","","","has coordinates,has disorder","198906","2020-10-21","18:00:00",""
"7228718","11.472","0.0007","7.0562","0.0005","17.819","0.002","90","","102.135","0.003","90","","1410.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 Al As Cl4 S2 -","- C7 H6 Al As Cl4 S2 -","- C28 H24 Al4 As4 Cl16 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1095","0.0879","","","0.2281","0.2366","","","","","","1.203","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228719","12.4186","0.0002","22.4845","0.0004","26.7287","0.0004","76.804","0.001","80.282","0.001","76.72","0.001","7018.4","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 As Cl S2 -","- C6 H4 As Cl S2 -","- C204 H136 As34 Cl34 S68 -","34","17","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.7107","MoKα","","0.272","0.0778","","","0.1261","0.1884","","","","","","1.01","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228720","5.0652","0.0013","10.017","0.003","15.742","0.004","97.55","0.016","97.678","0.015","99.715","0.015","770.5","0.4","149.89","","149.89","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 Cl N5 -","- C13 H24 Cl N5 -","- C26 H48 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1466","0.0645","","","0.1087","0.1416","","","","","","1.035","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228721","5.1163","0.0011","10.011","0.002","12.451","0.002","93.943","0.009","96.452","0.009","100.613","0.009","620.2","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C18 H32 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1136","0.0754","","","0.2053","0.2418","","","","","","1.038","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228722","5.12","0.013","10.14","0.03","17.37","0.05","91.51","0.05","93.57","0.05","101.03","0.04","883","4","299.08","","299.08","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 Cl N5 -","- C13 H24 Cl N5 -","- C26 H48 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.3897","0.1323","","","0.2354","0.3686","","","","","","0.994","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228723","10.28","0.004","10.351","0.003","12.987","0.004","98.3","0.02","112.37","0.02","108.27","0.03","1157.5","0.8","147.78","","147.78","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C36 H64 Cl4 N20 -","4","2","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1155","0.0584","","","0.14","0.1759","","","","","","0.964","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228724","5.0858","0.0006","10.0093","0.001","15.2007","0.0018","104.518","0.005","92.842","0.006","100.832","0.005","731.93","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H20 Cl N5 -","- C11 H20 Cl N5 -","- C22 H40 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1401","0.0678","","","0.2093","0.2561","","","","","","1.07","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228725","5.0839","0.0011","10.0172","0.0019","15.237","0.003","104.473","0.014","92.935","0.015","100.729","0.013","734.3","0.3","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 Cl N5 -","- C11 H18 Cl N5 -","- C22 H36 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1704","0.1013","","","0.2822","0.3429","","","","","","1.058","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228726","25.548","0.005","5","0.001","19.343","0.004","90","","115.3","0.03","90","","2233.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl2 N4 -","- C8 H12 Cl2 N4 -","- C64 H96 Cl16 N32 -","8","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.0417","0.038","","","0.0937","0.0963","","","","","","1.117","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228727","5.012","0.001","11.794","0.002","17.086","0.003","86.52","0.03","84.11","0.03","82.67","0.03","995.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Cl2 N4 -","- C7 H10 Cl2 N4 -","- C28 H40 Cl8 N16 -","4","2","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.0314","0.0295","","","0.0755","0.0768","","","","","","1.08","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228729","8.402","0.004","16.569","0.007","5.108","0.011","90","","90","","90","","711.1","1.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al4 Co2.323 H24 O40 P8 -","- Al4 Co2.324 H24 O40 P8 -","- Al4 Co2.324 H24 O40 P8 -","1","0.25","","Zaarour, Moussa; perez, olivier; Boullay, Philippe; Martens, Joern; Mihailova, Boriana D.; Karaghiosoff, Konstantin; Palatinus, Lukáš; Mintova, Svetlana","Synthesis of New Framework Cobalt Aluminophosphate by Opening Cobalt Methylphosphonate Layered Material","CrystEngComm","2017","","","","","10.1039/C7CE01129F","","x-ray","0.71073","MoKα","","0.0869","0.058","","","0.0651","0.0681","","","","1.79","1.79","1.54","","","","has coordinates","199011","2020-10-21","18:00:00",""
"7228730","11.655","0.001","11.401","0.003","20.988","0.0019","90","","104.186","0.002","90","","2703.8","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0391","0.0384","","","0.1007","0.1015","","","","","","1.036","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228731","10.278","0.0003","10.413","0.0016","12.405","0.0011","90","","90","","90","","1327.6","0.2","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0278","0.0277","","","0.0764","0.0764","","","","","","1.056","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228732","11.426","0.0008","8.008","0.0007","13.885","0.0013","90","","103.063","0.006","90","","1237.59","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O5 S -","- C12 H12 O5 S -","- C48 H48 O20 S4 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0464","0.0463","","","0.12","0.1201","","","","","","1.159","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228733","11.877","0.0012","7.988","0.0013","13.74","0.0011","90","","102.046","0.003","90","","1274.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0432","0.0425","","","0.108","0.1088","","","","","","1.113","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228734","11.651","0.0005","11.487","0.0019","20.733","0.002","90","","104.181","0.004","90","","2690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl O5 -","- C14 H13 Cl O5 -","- C112 H104 Cl8 O40 -","8","2","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","Synchrotron","","0.0359","0.0346","","","0.091","0.0921","","","","","","1.052","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228735","33.4954","0.0018","19.3412","0.0011","35.425","0.002","90","","115.147","0.0016","90","","20775","2","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C77 H190.2 Cu5 Ge0 In30 N11 O7.1 S53 -","- Cu4.9996 In30.0004 S53 -","- Cu19.9984 In120.002 S212 -","4","1","","Wang, Hongxiang; Yang, Huajun; Wang, Wei; Xue, Chaozhuang; Zhang, Yingying; Luo, Min; Hu, Dandan; Lin, Jian; Li, Dong-Sheng; Wu, Tao","Assembly of Supertetrahedral Cluster into Cu-In-S Superlattice via Unprecedented Vertex-Edge Connection Mode","CrystEngComm","2017","","","","","10.1039/C7CE00849J","","","0.71073","MoKα","","0.1288","0.0618","","","0.1183","0.129","","","","","","1.038","","","","has coordinates,has disorder","199013","2020-10-21","18:00:00",""
"7228736","17.2928","0.0009","23.1876","0.001","7.7431","0.0004","90","","90","","90","","3104.8","0.3","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","135TIPB-FA","","- C38 H20 F3 I3 -","- C38 H20 F3 I3 -","- C152 H80 F12 I12 -","4","0.5","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0568","0.043","","","0.0852","0.0929","","","","","","1.037","","","","has coordinates,has disorder","199014","2020-10-21","18:00:00",""
"7228737","17.8455","0.0008","6.2494","0.0003","19.5446","0.001","90","","108.407","0.005","90","","2068.17","0.18","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","FA","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0625","0.0491","","","0.1101","0.1185","","","","","","1.026","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228738","9.586","0.0006","15.0356","0.0007","12.5798","0.0006","90","","105.274","0.005","90","","1749.1","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1IPB-FA","","- C22 H10 F5 I -","- C22 H10 F5 I -","- C88 H40 F20 I4 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0589","0.0394","","","0.0718","0.0813","","","","","","1.039","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228739","8.3808","0.0006","18.0644","0.001","12.8815","0.001","90","","105.561","0.009","90","","1878.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14DIPB-FA","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0406","0.0316","","","0.057","0.0617","","","","","","1.028","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228740","7.4059","0.0008","8.0966","0.0009","29.6317","0.0013","88.51","0.006","88.482","0.006","88.186","0.009","1774.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","2","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.1376","0.1096","","","0.3018","0.3162","","","","","","1.099","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228741","15.2963","0.0003","18.1009","0.0004","30.48","0.0005","99.2518","0.0016","90.4052","0.0015","114.42","0.002","7558.8","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C352 H160 F64 I32 -","16","8","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.064","0.0449","","","0.0733","0.082","","","","","","1.113","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228742","7.2059","0.0005","8.3166","0.0005","14.8296","0.0012","90.772","0.006","92.296","0.006","91.587","0.005","887.57","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","14DBrPB-FA","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C44 H20 Br4 F8 -","2","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0786","0.0489","","","0.0829","0.098","","","","","","0.985","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228743","6.8502","0.0007","8.065","0.0007","17.0969","0.0016","97.18","0.008","100.583","0.008","100.33","0.008","901.17","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","13DBrPB","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C44 H20 Br4 F8 -","2","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0808","0.0542","","","0.1092","0.1237","","","","","","1.065","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228744","7.5813","0.0006","7.9328","0.0005","28.45","0.003","90","","90","","90","","1711","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1BrPB-FA","","- C22 H10 Br F5 -","- C22 H10 Br F5 -","- C88 H40 Br4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0656","0.0499","","","0.0979","0.1063","","","","","","1.027","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228745","7.5282","0.0002","7.8131","0.0002","28.2918","0.0009","90","","90","","90","","1664.08","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1ClPB-FA","","- C22 H10 Cl F5 -","- C22 H10 Cl F5 -","- C88 H40 Cl4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.026","0.0255","","","0.0639","0.0643","","","","","","1.11","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228746","7.6999","0.0003","8.7601","0.0003","15.1662","0.0005","102.148","0.007","95.754","0.007","110.011","0.008","923.03","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalerstat. DMF solvate","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C36 H40 N4 O8 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54187","CuKα","","0.0386","0.0357","","","0.0945","0.097","","","","","","1.09","","","","has coordinates","199015","2020-10-21","18:00:00",""
"7228747","7.79","0.0004","8.4073","0.0004","19.8594","0.001","84.159","0.003","88.907","0.002","62.877","0.003","1151.06","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]","","- C23 H23 N5 O5 S2 -","- C23 H23 N5 O5 S2 -","- C46 H46 N10 O10 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54186","CuKα","","0.08","0.07","","","0.2072","0.223","","","","","","1.193","","","","has coordinates,has disorder","199015","2020-10-21","18:00:00",""
"7228748","8.0773","0.0002","9.3224","0.0002","16.0729","0.0003","99.322","0.007","91.404","0.006","108.099","0.008","1131.59","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","epalerstat. 2 DMSO","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]a","","- C19 H25 N O5 S4 -","- C19 H25 N O5 S4 -","- C38 H50 N2 O10 S8 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54187","CuKα","","0.0656","0.0516","","","0.1289","0.1359","","","","","","1.16","","","","has coordinates","199015","2020-10-21","18:00:00",""
"7228763","22.7859","0.0018","7.8177","0.0005","11.411","0.0008","90","","94.96","0.007","90","","2025.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Ferrocenylethynyl-[2, 2]paracyclophane","","- C28 H24 Fe -","- C28 H24 Fe -","- C112 H96 Fe4 -","4","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.1446","0.0837","","","0.1698","0.2073","","","","","","0.994","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228764","9.7975","0.0013","14.719","0.002","15.736","0.002","113.443","0.002","98.806","0.002","92.046","0.002","2045.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1'-diiacetylferocene 1,2-diiodoethene","","- C17.5 H14 Fe I3.5 O2 -","- C17.5 H14 Fe I3.5 O2 -","- C70 H56 Fe4 I14 O8 -","4","2","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0471","0.0416","","","0.1261","0.132","","","","","","1.039","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228765","9.911","0.002","12.556","0.003","14.111","0.003","112.72","0.03","92.88","0.03","104.63","0.03","1545.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Ferrocenylethynyl-[2, 2]paracyclophane 1,4-bis(iodoethynyl)benzene","","- C38 H28 Fe I2 -","- C38 H28 Fe I2 -","- C76 H56 Fe2 I4 -","2","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.1363","0.0717","","","0.1712","0.2064","","","","","","1.082","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228766","12.501","0.005","8.851","0.004","9.68","0.004","90","","118.987","0.005","90","","936.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","ferrocene 1,4-bis(iodoethynyl)benzene","","- C20 H14 Fe I2 -","- C20 H14 Fe I2 -","- C40 H28 Fe2 I4 -","2","0.25","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0443","0.036","","","0.0875","0.0931","","","","","","1.057","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228767","9.5077","0.0019","8.6571","0.0017","10.041","0.002","90","","111.63","0.03","90","","768.3","0.3","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ferrocene iodophenylacetylene","","- C18 H15 Fe I -","- C18 H15 Fe I -","- C36 H30 Fe2 I2 -","2","0.5","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0185","0.0177","","","0.049","0.0501","","","","","","1.103","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228768","20.4752","0.0009","7.4221","0.0003","18.223","0.0008","90","","111.102","0.0007","90","","2583.62","0.19","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Fe I2 -","- C12 H10 Fe I2 -","- C96 H80 Fe8 I16 -","8","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0204","0.0192","","","0.046","0.0468","","","","","","1.07","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228769","4.8736","0.0005","8.5549","0.001","12.5992","0.0016","90","","91.428","0.004","90","","525.14","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C24 H16 N8 O4 -","2","1","","A, Irudaya Jothi; Alexander, V.","Organic NLO Material with H-Bonded 1D Helical Self-Assembly: Synthesis, X-Ray Crystal Structure, DFT Calculations, SHG Measurements and Thermal Studies of (5Z,6E)-1,10-Phenanthroline-5,6-dione Dioxime","CrystEngComm","2017","","","","","10.1039/C7CE00743D","","","0.71073","MoKα","","0.0597","0.039","","","0.0911","0.102","","","","","","1.032","","","","has coordinates","199357","2020-10-21","18:00:00",""
"7228770","7.029","0.001","10.5537","0.0015","10.8826","0.0015","73.431","0.005","76.424","0.005","71.357","0.005","723.95","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-B-Mal (3-pyridyl)-CONH-N=CH-(4-pyridyl), HOOC-(CH2)-COOH","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C30 H28 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0638","0.0448","","","0.1154","0.1305","","","","","","1.066","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228771","5.966","0.0005","7.2613","0.0006","16.896","0.0014","89.858","0.002","80.013","0.003","79.638","0.002","708.79","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Adp [2-pyridyl-CONH-N=CH-(3-pyridyl)]2, HOOC-(CH2)4-COOH","","- C30 H30 N8 O6 -","- C30 H30 N8 O6 -","- C30 H30 N8 O6 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0476","0.0435","","","0.116","0.1198","","","","","","0.953","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228772","5.5981","0.0007","45.389","0.005","7.3036","0.0008","90","","98.469","0.005","90","","1835.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-A-Pim (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)5-COOH","","- C19 H22 N4 O5 -","- C19 H22 N4 O5 -","- C76 H88 N16 O20 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0774","0.0557","","","0.1418","0.1558","","","","","","1.048","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228773","10.9929","0.001","11.4742","0.001","16.1087","0.0014","102.095","0.003","108.567","0.004","95.615","0.003","1853.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-B-Glu (3-pyridyl)-CONH-N=CH-(4-pyridyl), HOOC-(CH2)3-COOH dihydrate","","- C17 H22 N4 O7 -","- C17 H22 N4 O7 -","- C68 H88 N16 O28 -","4","2","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0966","0.058","","","0.1562","0.1839","","","","","","1.054","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228774","6.6774","0.0011","8.2196","0.0014","15.972","0.003","81.888","0.007","83.771","0.008","74.805","0.007","835.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-D-Sub [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)6-COOH dihydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0423","0.039","","","0.1033","0.1069","","","","","","1.047","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228775","7.116","0.0008","13.084","0.0016","36.062","0.005","90","","90","","90","","3357.6","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","EK-B-Suc 3-pyridyl-CONH-N=CH-(3-pyridyl), HOOC-(CH2)2-COOH","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0732","0.0552","","","0.138","0.156","","","","","","1.125","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228776","6.5986","0.0006","8.0173","0.0008","15.3396","0.0014","97.862","0.004","101.861","0.003","104.541","0.003","753.39","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-D-Adp [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)4-COOH dihydrate","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0528","0.0426","","","0.123","0.1329","","","","","","1.058","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228777","8.5041","0.0012","9.6723","0.0014","14.013","0.002","80.742","0.006","81.368","0.006","68.77","0.005","1055.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Azl (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)7-COOH","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C42 H52 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0413","0.0378","","","0.099","0.1052","","","","","","1.109","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228778","6.9504","0.001","14.17","0.002","23.788","0.003","79.555","0.009","84.61","0.008","89.821","0.009","2293.6","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","EK-C-Seb (3-pyridyl)-CONH-N=CH-(3-pyridyl), HOOCH-(CH2)8-COOH hydrate","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C88 H120 N16 O24 -","4","2","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.1049","0.0764","","","0.2234","0.2466","","","","","","1.447","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228779","6.93","0.0008","7.8773","0.001","24.68","0.003","85.562","0.006","83.394","0.006","66.198","0.005","1223.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-C-Dod (3-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)10-COOH hydrate","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C48 H68 N8 O12 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0524","0.0452","","","0.1154","0.1187","","","","","","1.064","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228780","20.694","0.003","5.5714","0.0008","14.954","0.002","90","","105.047","0.007","90","","1665","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-A-Glu (2-pyridyl)-CONH-NHCO-(3-pyridyl), HOOC-(CH2)3-COOH","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.1066","0.0703","","","0.1795","0.214","","","","","","1.216","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228781","36.802","0.008","7.2815","0.0014","12.533","0.003","90","","92.978","0.008","90","","3354","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-D-Azl [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)7-COOH dihydrate","","- C33 H40 N8 O8 -","- C33 H40 N8 O8 -","- C132 H160 N32 O32 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.1244","0.0995","","","0.3006","0.3093","","","","","","2.015","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228782","8.0953","0.0012","9.9439","0.0014","10.1459","0.0015","99.924","0.006","106.674","0.006","100.865","0.006","745.78","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Mal (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)1-COOH","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C30 H28 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0465","0.0379","","","0.1078","0.1137","","","","","","1.04","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228792","8.5142","0.0015","11.569","0.002","14.932","0.003","99.351","0.001","96.856","0.002","90.793","0.003","1440.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl6 Cu2 N8 O2 -","- C24 H22 Cl6 Cu2 N8 O2 -","- C48 H44 Cl12 Cu4 N16 O4 -","2","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0553","0.0488","","","0.1344","0.1521","","","","","","1.092","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228793","12.7021","0.0005","14.1024","0.0007","15.562","0.0008","90","","109.43","0.001","90","","2628.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl5 Cu2 N8 O2 -","- C17 H21 Cl5 Cu2 N8 O2 -","- C68 H84 Cl20 Cu8 N32 O8 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0228","0.0203","","","0.05","0.0514","","","","","","1.048","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228794","4.1206","0.0001","12.0535","0.0004","21.2191","0.0007","90","","90","","90","","1053.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C44 H32 Cl4 N20 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0428","0.0354","","","0.0772","0.0806","","","","","","1.104","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228795","14.292","0.004","15.123","0.005","8.344","0.006","90","","106.632","0.005","90","","1728","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 Cu2 N10 O8 -","- C30 H28 Cl2 Cu2 N10 O8 -","- C60 H56 Cl4 Cu4 N20 O16 -","2","0.5","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0315","0.0252","","","0.0614","0.0646","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228796","14.861","0.008","14.801","0.008","10.073","0.005","90","","107.679","0.009","90","","2111","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl4 Cu N8 -","- C16 H18 Cl4 Cu N8 -","- C64 H72 Cl16 Cu4 N32 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0458","0.0387","","","0.0961","0.1033","","","","","","0.95","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228797","15.6","0.01","6.591","0.006","16.8","0.01","90","","90","","90","","1727","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C64 H72 Cl8 N32 -","8","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0652","0.0519","","","0.1319","0.1437","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228798","4.8996","0.0008","24.168","0.004","9.3291","0.0015","90","","93.474","0.003","90","","1102.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-benzyl 6-chloro purine","","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.082","0.059","","","0.1519","0.2173","","","","","","1.057","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228799","6.089","0.004","14.91","0.005","16.172","0.006","90","","95.488","0.005","90","","1461.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl5 Cu2 N4 O -","- C8 H9 Cl5 Cu2 N4 O -","- C32 H36 Cl20 Cu8 N16 O4 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0387","0.0276","","","0.0625","0.0659","","","","","","1.034","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228800","9.3161","0.0007","26.987","0.002","13.2722","0.0009","90","","101.64","0.001","90","","3268.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl Cu N7 O7 -","- C11 H10 Cl Cu N7 O7 -","- C88 H80 Cl8 Cu8 N56 O56 -","8","2","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0492","0.0374","","","0.0829","0.0875","","","","","","1.077","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228802","14.1022","0.001","24.4684","0.0011","18.3507","0.0013","90","","98.97","0.007","90","","6254.6","0.7","170","0.1","170","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H74 Br4 O9 -","- C67 H74 Br4 O9 -","- C268 H296 Br16 O36 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","0.71073","MoKα","","0.1594","0.089","","","0.2202","0.2722","","","","","","1.019","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228803","14.4249","0.0002","25.2475","0.0003","17.8123","0.0003","90","","100.836","0.0016","90","","6371.43","0.16","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H69 Br4 Cl3 O8 -","- C65 H69 Br4 Cl3 O8 -","- C260 H276 Br16 Cl12 O32 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","0.71073","MoKα","","0.0772","0.0505","","","0.1325","0.1495","","","","","","1.029","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228804","12.8712","0.0005","16.8782","0.0007","20.3485","0.0012","111.18","0.005","95.315","0.004","99.321","0.003","4012.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 I4 O12 S4 -","- C76 H100 I4 O12 S4 -","- C152 H200 I8 O24 S8 -","2","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.1471","0.092","","","0.2372","0.2885","","","","","","1.026","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228805","14.222","0.0002","24.9361","0.0003","18.1166","0.0003","90","","98.6494","0.0016","90","","6351.82","0.16","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H71 I4 N O8 -","- C66 H71 I4 N O8 -","- C264 H284 I16 N4 O32 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.0677","0.0515","","","0.1329","0.1462","","","","","","1.016","","","","has coordinates","199418","2020-10-21","18:00:00",""
"7228806","16.4002","0.001","17.5718","0.0008","19.1603","0.001","114.995","0.005","91.376","0.006","116.803","0.006","4306.9","0.6","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C78.5 H97 I4 O11.5 -","- C78.5 H97 I4 O11.5 -","- C157 H194 I8 O23 -","2","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.2671","0.2203","","","0.4934","0.5261","","","","","","1.044","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228807","22.1144","0.0011","22.3258","0.0017","17.2116","0.0006","90","","101.036","0.004","90","","8340.6","0.8","123","0.1","123","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C73 H91 I4 N3 O11 -","- C73 H91 I4 N3 O11 -","- C292 H364 I16 N12 O44 -","4","0.5","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","","1.54184","CuKα","","0.13","0.101","","","0.2903","0.3324","","","","","","1.056","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228808","16.7987","0.0004","20.0128","0.0004","24.3284","0.0007","90.053","0.002","92.142","0.002","97.4128","0.0019","8104.8","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H100.5 I4 N3.5 O11.5 -","- C78.5 H100.5 I4 N3.5 O11.5 -","- C314 H402 I16 N14 O46 -","4","2","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.1307","0.0935","","","0.2546","0.3063","","","","","","1.038","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228809","8.2252","0.0016","14.362","0.003","24.711","0.005","96.2","0.03","96.65","0.03","104.58","0.03","2777.4","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Ag2 F6 N4 O16 S2 -","- C60 H48 Ag2 F6 N4 O16 S2 -","- C120 H96 Ag4 F12 N8 O32 S4 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0814","0.077","","","0.2081","0.2101","","","","","","1.018","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228810","8.2703","0.0017","12.916","0.003","13.267","0.003","98.584","0.016","99.288","0.016","98.638","0.017","1360.7","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Ag F3 N2 O7 S -","- C29 H20 Ag F3 N2 O7 S -","- C58 H40 Ag2 F6 N4 O14 S2 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.1699","0.0922","","","0.187","0.2257","","","","","","1.094","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228811","32.985","0.002","5.4535","0.0002","14.469","0.0009","90","","112.955","0.005","90","","2396.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Ag N3 O7 -","- C28 H20 Ag N3 O7 -","- C112 H80 Ag4 N12 O28 -","4","0.5","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0622","0.0529","","","0.1577","0.1658","","","","","","1.007","","","","has coordinates,has disorder","199419","2020-10-21","18:00:00",""
"7228812","8.2044","0.0004","9.4246","0.0004","16.7815","0.0008","93.942","0.004","96.876","0.004","91.701","0.004","1284.28","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Ag N3 O8 -","- C29 H24 Ag N3 O8 -","- C58 H48 Ag2 N6 O16 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0734","0.0608","","","0.144","0.1512","","","","","","1.084","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228813","4.82","0.0005","9.353","0.001","11.782","0.0012","99.589","0.008","99.411","0.008","90.265","0.008","516.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anthracene-9,10-diylbil(methylene) dinicotinate","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","1","0.5","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0895","0.0466","","","0.0879","0.0971","","","","","","0.986","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228814","8.331","0.003","12.208","0.004","14.076","0.004","97.35","0.02","105.78","0.03","97.3","0.03","1346.5","0.8","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Ag N3 O8 -","- C30 H26 Ag N3 O8 -","- C60 H52 Ag2 N6 O16 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.1428","0.0499","","","0.0959","0.1268","","","","","","0.868","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228819","13.918","0.005","8.908","0.003","17.689","0.007","90","","94.416","0.007","90","","2186.6","1.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CuNaph","","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","- C96 H88 Cu4 O24 -","2","0.5","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.7107","MoKα","","","0.0429","","","","0.0539","","","","","","1.023","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228820","22.346","0.0007","22.346","0.0007","14.2977","0.0007","90","","90","","90","","7139.5","0.5","113","","113","","","","","","","","","5","I 4/m m m","-I 4 2","139","","CuAcO-CuTPyP","","- C7 H7 Cu0.63 N O2 -","- C7 H7 Cu0.625 N O2 -","- C112 H112 Cu10 N16 O32 -","16","0.5","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.71075","MoKα","","0.0709","0.0486","","","0.1624","0.1721","","","","","","1.148","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228821","17.653","0.004","43.763","0.011","18.317","0.005","90","","102.967","0.003","90","","13790","6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H80 Cu5 N8 O16 -","- C128 H80 Cu5 N8 O16 -","- C512 H320 Cu20 N32 O64 -","4","1","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.71075","MoKα","","0.1824","0.0987","","","0.2487","0.2979","","","","","","0.951","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228822","17.6894","0.0018","6.6145","0.0007","23.997","0.003","90","","100.392","0.011","90","","2761.7","0.5","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H24 N O4 P -","- C10 H24 N O4 P -","- C80 H192 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0821","0.0592","","","0.1361","0.1503","","","","","","1.049","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228823","22.8176","0.001","5.9912","0.0003","18.3149","0.0007","90","","96.199","0.004","90","","2489.1","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 N O4 P -","- C8 H20 N O4 P -","- C64 H160 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0574","0.0464","","","0.115","0.1248","","","","","","1.05","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228824","12.6511","0.0005","6.4515","0.0002","24.2892","0.0007","90","","98.918","0.003","90","","1958.48","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H37 N2 O7 P -","- C13 H37 N2 O7 P -","- C52 H148 N8 O28 P4 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0927","0.0794","","","0.2217","0.2375","","","","","","1.043","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228825","14.6655","0.0002","14.6655","0.0002","5.8852","0.0001","90","","90","","90","","1265.77","0.03","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C3 H9 O4 P -","- C3 H9 O4 P -","- C24 H72 O32 P8 -","8","","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0312","0.0305","","","0.0887","0.0896","","","","","","1.084","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228826","13.4545","0.0012","6.1394","0.0004","16.6944","0.0012","90","","107.778","0.008","90","","1313.15","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H22 N O4 P -","- C9 H22 N O4 P -","- C36 H88 N4 O16 P4 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.107","0.0935","","","0.2879","0.2919","","","","","","1.136","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228827","13.596","0.007","10.066","0.005","15.921","0.009","90","","111.966","0.009","90","","2020.7","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H31 N O8 P2 -","- C12 H31 N O8 P2 -","- C48 H124 N4 O32 P8 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71075","MoKα","","0.0598","0.0572","","","0.1504","0.1522","","","","","","1.167","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228833","7.4332","0.0012","12.5638","0.0019","12.657","0.002","67.799","0.01","78.034","0.013","78.704","0.013","1061.6","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) chloride.H20","","- C14 H20 Cl O3 S8 -","- C14 H20 Cl O3 S8 -","- C28 H40 Cl2 O6 S16 -","2","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.0647","0.0497","","","0.1291","0.1401","","","","","","1.07","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228834","7.937","0.0007","21.4936","0.0016","27.622","0.003","90","","90","","90","","4712.2","0.7","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0517","","","","0.1618","","","","","","1.199","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228835","7.8561","0.0006","21.2753","0.0016","27.155","0.002","90","","90","","90","","4538.7","0.6","296","","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6.005 S8 -","- C112 H144 Cl8 O48.04 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0589","","","","0.1424","","","","","","1.052","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228836","7.707","0.016","21.04","0.04","26.59","0.05","90","","90","","90","","4312","15","100","","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6 S8 -","- C112 H144 Cl8 O48 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.6889","","","0.2257","0.1393","","","0.3193","0.3991","","","","","","1.031","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228837","7.8564","0.0018","21.389","0.005","27.036","0.006","90","","90","","90","","4543.1","1.8","100","","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.07","0.0678","","","0.155","0.1568","","","","","","1.205","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228838","9.831","0.0002","19.9437","0.0004","10.6022","0.0002","90","","97.857","0.002","90","","2059.22","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) bromide","","- C14 H18 Br O2 S8 -","- C14 H18 Br O2 S8 -","- C56 H72 Br4 O8 S32 -","4","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71073","MoKα","","0.0375","0.0342","","","0.0741","0.0759","","","","","","1.04","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228839","5.6157","0.0003","5.8013","0.0003","15.5403","0.0008","85.616","0.002","89.138","0.002","80.7","0.002","498.16","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F4 I2 N6 O2 -","- C16 H10 F4 I2 N6 O2 -","- C16 H10 F4 I2 N6 O2 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0356","0.0278","","","0.0593","0.062","","","","","","1.109","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228840","8.3275","0.0015","15.183","0.003","15.17","0.003","90","","100.678","0.006","90","","1884.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 F2 I N2 O -","- C17 H22 F2 I N2 O -","- C68 H88 F8 I4 N8 O4 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0558","0.0449","","","0.1228","0.1377","","","","","","1.07","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228841","5.2164","0.0008","5.7379","0.001","16.463","0.003","98.285","0.005","90.049","0.005","102.844","0.005","475.14","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N6 O2 -","- C16 H10 Br2 F4 N6 O2 -","- C16 H10 Br2 F4 N6 O2 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0778","0.044","","","0.0893","0.101","","","","","","1.038","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228842","5.0832","0.0006","11.3132","0.0014","16.794","0.002","107.353","0.007","96.484","0.007","90.132","0.007","915.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Br2 F4 N8 O6 -","- C32 H36 Br2 F4 N8 O6 -","- C32 H36 Br2 F4 N8 O6 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.1044","0.051","","","0.1236","0.1467","","","","","","1.049","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228843","8.1092","0.0004","14.9953","0.0007","15.2066","0.0008","90","","101.158","0.002","90","","1814.17","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Br F2 N2 O -","- C17 H22 Br F2 N2 O -","- C68 H88 Br4 F8 N8 O4 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0709","0.0541","","","0.1453","0.1589","","","","","","1.057","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228844","16.5437","0.0005","31.4061","0.0009","4.4844","0.0001","90","","90","","90","","2329.97","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H18 F4 I2 N4 O3 -","- C19 H18 F4 I2 N4 O3 -","- C76 H72 F16 I8 N16 O12 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0953","0.0531","","","0.1338","0.1613","","","","","","1.031","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228845","12.5412","0.0009","12.9653","0.0009","14.9803","0.001","113.869","0.002","95.216","0.002","90.096","0.002","2216.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O20 Zn3 -","- C28 H24 N2 O20 Zn3 -","- C56 H48 N4 O40 Zn6 -","2","1","","wang, Jun; Ma, De-Yun; Liao, Weilin; Li, Shujun; Huang, Manfei; Liu, Huimin; Wang, Yifei; Xie, Rui; xu, jun","A hydrostable anionic zinc-organic framework carrier with a bcu topology for drug delivery","CrystEngComm","2017","","","","","10.1039/C7CE01238A","","","0.71073","MoKα","","0.0948","0.0529","","","0.1224","0.1483","","","","","","0.94","","","","has coordinates","199481","2020-10-21","18:00:00",""
"7228853","16.783","0.008","16.783","0.008","30.325","0.017","90","","90","","120","","7397","6","296.15","","296.15","","","","","","","","","6","R -3","-R 3","148","","","","- C78 H66 Cd3 N12 O20 P2 -","- C78 H66 Cd3 N12 O20 P2 -","- C234 H198 Cd9 N36 O60 P6 -","3","","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0817","0.0589","","","0.1618","0.1715","","","","","","0.962","","","","has coordinates","199539","2020-10-21","18:00:00",""
"7228854","9.9742","0.0012","13.766","0.0016","26.363","0.003","94.356","0.003","92.135","0.003","93.846","0.003","3597.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 Cd2 N8 O17 P2 -","- C78 H60 Cd2 N8 O17 P2 -","- C156 H120 Cd4 N16 O34 P4 -","2","1","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0883","0.0579","","","0.1465","0.1652","","","","","","1.058","","","","has coordinates,has disorder","199539","2020-10-21","18:00:00",""
"7228855","25.876","0.004","25.876","0.004","16.283","0.003","90","","90","","90","","10903","3","100","","100","","","","","","","","","5","I 41","I 4bw","80","2Zn","","","- C35 H36 N2 O10 Zn -","- C35 H35 N2 O10 Zn -","- C280 H280 N16 O80 Zn8 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0783","0.0594","","","0.1754","0.1953","","","","","","1.021","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228856","8.565","0.0017","10.777","0.002","37.736","0.008","90","","95.41","0.03","90","","3467.7","1.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","H6L1","","","- C35 H42 Cl2 N2 O11 -","- C35 H42 Cl2 N2 O11 -","- C140 H168 Cl8 N8 O44 -","4","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0771","0.0644","","","0.1453","0.1522","","","","","","1.084","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228857","30.23","0.006","27.415","0.005","26.578","0.005","90","","90","","90","","22027","7","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","1Cu","","","- C70 H68 Cu4 N4 O20 -","- C70 H68 Cu4 N4 O20 -","- C560 H544 Cu32 N32 O160 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.1758","0.1137","","","0.3257","0.3668","","","","","","1.112","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228858","9.7703","0.00015","12.02971","0.00018","12.786","0.0002","90","","90.6565","0.0014","90","","1502.69","0.04","100","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-Methyl Dianin's compound","p-Hydroxyphenyl-2,2,4,7-tetramethylchroman","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54184","CuKα","","0.0371","0.035","","","0.0906","0.0928","","","","","","1.026","","","","has coordinates","199628","2020-10-21","18:00:00",""
"7228859","26.5576","0.0005","26.5576","0.0005","11.1274","0.0004","90","","90","","120","","6796.8","0.3","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ03 Quasiracemate, 4S-Dianins, 2S,4R nor analogue0.33 Tetrachloromethane solvate","4S-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 2S,4R-4-p-hydroxyphenyl-2,4-dimethylchroman, 0.33 Tetrachloromethane solvate","","- C35.33333 H38 Cl1.33333 O4 -","- C35.3333 H38 Cl1.33333 O4 -","- C318 H342 Cl12 O36 -","9","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0346","0.0331","","","0.088","0.0931","","","","","","1.001","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7228860","26.3307","0.0003","26.3307","0.0003","11.1874","0.0003","90","","90","","120","","6717.1","0.2","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ02 Quasiracemate, 2R,4R AND 2R,4S nor methyl analogues0.33 Tetrachloromethane solvate","2R,4R-4-p-hydroxyphenyl-2,4-dimethylchroman,2R,4S-4-p-hydroxyphenyl-2,4-dimethylchroman.0.33 Tetrachloromethane solvate","","- C103 H108 Cl4 O12 -","- C103 H108 Cl4 O12 -","- C309 H324 Cl12 O36 -","3","0.333333","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0493","0.0489","","","0.1353","0.1363","","","","","","1.061","","","","has coordinates,has disorder","199628","2020-10-21","18:00:00",""
"7228861","14.14913","0.00016","6.42088","0.00006","18.3566","0.0002","90","","111.973","0.0013","90","","1546.55","0.03","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-Methyl Dianin's compound","p-Hydroxyphenyl-2,2,4,6-tetramethylchroman","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54184","CuKα","","0.0378","0.0355","","","0.0914","0.0934","","","","","","1.019","","","","has coordinates","199628","2020-10-21","18:00:00",""
"7228864","26.362","0.002","5.8842","0.0005","8.6253","0.0007","90","","92.291","0.005","90","","1336.88","0.19","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-methylphenyl)-2-naphthamide","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.1086","0.0895","","","0.2443","0.255","","","","","","1.084","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228865","28.7372","0.0016","5.4797","0.0003","7.8381","0.0005","90","","104.767","0.003","90","","1193.51","0.12","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-phenyl-2-naphthamide","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0529","0.0445","","","0.1103","0.1152","","","","","","1.042","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228866","5.5994","0.0011","7.473","0.0015","15.867","0.003","88.78","0.03","84.12","0.03","84.82","0.03","657.7","0.2","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","N-(4-chlorophenyl)-2-naphthamide","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0494","0.0392","","","0.1044","0.1104","","","","","","1.065","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228867","9.7762","0.0005","11.4779","0.0005","24.3526","0.0011","90","","90","","90","","2732.6","0.2","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0555","0.0431","","","0.1073","0.1144","","","","","","1.043","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228868","5.182","0.0009","6.5439","0.0011","19.416","0.003","90","","92.448","0.009","90","","657.81","0.19","89","2","89","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-cyclohexyl-2-naphthamide","","- C17 H19 N O -","- C17 H19 N O -","- C34 H38 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0628","0.0486","","","0.1417","0.1692","","","","","","1.09","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228869","5.5162","0.0006","7.4987","0.0007","16.1006","0.0017","86.535","0.003","87.169","0.004","86.154","0.004","662.59","0.12","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","N-(4-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0588","0.0464","","","0.1374","0.1534","","","","","","1.071","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228870","8.027","0.0008","5.9177","0.0005","35.133","0.003","90","","90.186","0.001","90","","1668.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S -","- C22 H15 N O S -","- C88 H60 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.0799","0.057","","","0.1308","0.1411","","","","","","1.056","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228871","4.5363","0.0004","10.125","0.0008","34.375","0.003","90","","90","","90","","1578.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 N O S -","- C21 H13 N O S -","- C84 H52 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.068","0.0446","","","0.0649","0.0684","","","","","","1.076","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228872","13.5252","0.0008","9.646","0.0005","18.4119","0.0012","90","","110.747","0.007","90","","2246.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Mn3 N4 O12 -","- C38 H38 Br2 Mn3 N4 O12 -","- C76 H76 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0609","0.044","","","0.1118","0.1242","","","","","","1.013","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228873","13.7103","0.0003","10.517","0.0002","16.7248","0.0004","90","","110.262","0.003","90","","2262.34","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Br2 Mn3 N4 O12 -","- C40 H42 Br2 Mn3 N4 O12 -","- C80 H84 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0422","0.0315","","","0.0787","0.0848","","","","","","1.025","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228874","13.8296","0.0004","10.4308","0.0003","17.048","0.0008","90","","109.76","0.004","90","","2314.43","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Br2 Mn3 N4 O12 -","- C42 H46 Br2 Mn3 N4 O12 -","- C84 H92 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0569","0.0371","","","0.0907","0.1001","","","","","","1.024","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228875","13.5591","0.0003","10.4987","0.0002","16.6622","0.0005","90","","110.43","0.003","90","","2222.72","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 Mn3 N4 O12 -","- C40 H42 Cl2 Mn3 N4 O12 -","- C80 H84 Cl4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0475","0.0378","","","0.1201","0.1275","","","","","","1.013","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228876","18.1886","0.001","21.2528","0.0009","16.2865","0.0007","90","","118.757","0.005","90","","5519.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C55 H45 Mn2 N6 O15 -","- C55 H45 Mn2 N6 O15 -","- C220 H180 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0985","0.0783","","","0.2078","0.2294","","","","","","1.027","","","","has coordinates,has disorder","199655","2020-10-21","18:00:00",""
"7228877","13.2885","0.0003","9.6523","0.0002","18.1669","0.0005","90","","109.574","0.003","90","","2195.51","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Mn3 N4 O12 -","- C38 H38 Cl2 Mn3 N4 O12 -","- C76 H76 Cl4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0452","0.037","","","0.107","0.1129","","","","","","1.026","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228878","18.2308","0.0007","17.8579","0.0006","18.6949","0.0006","90","","95.948","0.001","90","","6053.6","0.4","153","2","152.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Mn3 N4 O16 -","- C68 H54 Mn3 N4 O16 -","- C272 H216 Mn12 N16 O64 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0877","0.0787","","","0.1995","0.2074","","","","","","1.069","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228879","18.2596","0.0009","21.4975","0.0008","16.3016","0.0006","90","","118.718","0.004","90","","5611.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C61 H26 Mn2 N6 O15 -","- C61 H26 Mn2 N6 O15 -","- C244 H104 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0731","0.0588","","","0.1596","0.1716","","","","","","1.088","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228880","18.1583","0.0012","21.2584","0.0012","16.2295","0.0008","90","","118.484","0.006","90","","5506.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C58 H24 Mn2 N6 O15 -","- C58 H24 Mn2 N6 O15 -","- C232 H96 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.092","0.0614","","","0.1589","0.1872","","","","","","1.012","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228881","13.5482","0.0004","15.5614","0.0005","27.8886","0.0009","102.937","0.001","92.19","0.001","112.373","0.001","5249.2","0.3","153","2","153.01","","","","","","","","","5","P -1","-P 1","2","","","","- C209 H170 Mn9 N12 O54 -","- C209 H170 Mn9 N12 O54 -","- C209 H170 Mn9 N12 O54 -","1","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0811","0.0721","","","0.1981","0.2103","","","","","","1.009","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228907","8.203","0.006","8.789","0.006","11.91","0.008","77.318","0.009","89.18","0.01","68.802","0.009","779","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl Cu N2 O6 -","- C13 H17 Cl Cu N2 O6 -","- C26 H34 Cl2 Cu2 N4 O12 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0574","0.0508","","","0.1531","0.1584","","","","","","1.023","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228908","11.7389","0.0003","11.7389","0.0003","13.314","0.0006","90","","90","","90","","1834.69","0.11","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C26 H40 Cu2 N6 O21 -","- C26 H40 Cu2 N6 O21 -","- C52 H80 Cu4 N12 O42 -","2","0.25","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0827","0.0615","","","0.1713","0.186","","","","","","1.097","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228909","7.1515","0.0019","8.865","0.002","11.362","0.003","104.209","0.004","97.479","0.004","102.373","0.003","669.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0333","0.0322","","","0.0876","0.0882","","","","","","1.026","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228910","11.2462","0.0015","11.0776","0.0008","12.0983","0.0009","90","","91.357","0.01","90","","1506.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cu2 N7 O14 -","- C28 H29 Cu2 N7 O14 -","- C56 H58 Cu4 N14 O28 -","2","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.1008","0.0555","","","0.0945","0.1089","","","","","","1.015","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228911","8.3896","0.0002","16.1281","0.0004","11.9938","0.0002","90","","99.673","0.002","90","","1599.79","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 Cu2 N4 O18 -","- C26 H30 Cl2 Cu2 N4 O18 -","- C52 H60 Cl4 Cu4 N8 O36 -","2","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0473","0.0407","","","0.1319","0.1377","","","","","","1.034","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228912","9.059","0.005","14.377","0.009","14.816","0.009","64.669","0.01","84.588","0.01","86.721","0.01","1736","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 Cu4 N10 O36 -","- C52 H78 Cu4 N10 O36 -","- C52 H78 Cu4 N10 O36 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0846","0.0574","","","0.1615","0.1768","","","","","","1.021","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228913","7.198","0.0014","13.3019","0.0019","21.4837","0.0019","92.462","0.009","94.959","0.011","102.228","0.014","1998.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H52 Cu2 N4 O25 S -","- C26 H52 Cu2 N4 O25 S -","- C52 H104 Cu4 N8 O50 S2 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.058","0.0429","","","0.1065","0.1163","","","","","","1.054","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228914","9.213","0.002","9.467","0.002","9.476","0.002","87.455","0.004","78.051","0.003","65.434","0.003","734.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cl2 Cu2 N4 O10 -","- C26 H30 Cl2 Cu2 N4 O10 -","- C26 H30 Cl2 Cu2 N4 O10 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0266","0.0254","","","0.0742","0.075","","","","","","1.061","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228915","6.4276","0.0011","10.5808","0.0018","11.242","0.002","93.317","0.002","93.708","0.002","91.807","0.002","761.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cu N3 O8 -","- C13 H15 Cu N3 O8 -","- C26 H30 Cu2 N6 O16 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0366","0.0341","","","0.0949","0.0965","","","","","","1.07","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228916","14.96763","0.00011","15.13591","0.00011","12.96566","0.0001","90","","98.955","0.0007","90","","2901.55","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide","","","- C33 H23 N7 O8 -","- C33 H23 N7 O8 -","- C132 H92 N28 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0383","0.0341","","","0.0888","0.0924","","","","","","1.044","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228917","8.94745","0.00005","15.10359","0.00011","14.92421","0.00009","90","","106.155","0.0006","90","","1937.19","0.02","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","N2-(2-benzamidophenyl)-N6-phenylpyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H56 F N5 O3 -","- C42 H56 F N5 O3 -","- C84 H112 F2 N10 O6 -","2","0.5","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0398","0.0378","","","0.1005","0.1027","","","","","","1.004","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228918","13.9902","0.0003","34.5843","0.001","21.6729","0.0005","90","","102.757","0.002","90","","10227.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N1,N3-bis(2-benzamidophenyl)isophthalamide tetra-butyl ammonium fluoride complex","","","- C53 H69 F N6 O5 -","- C53 H69 F N6 O5 -","- C424 H552 F8 N48 O40 -","8","4","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54178","CuKα","","0.2572","0.117","","","0.2164","0.289","","","","","","1.038","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228919","7.4377","0.0004","7.7862","0.0004","11.4106","0.0008","75.345","0.006","77.944","0.006","65.998","0.006","579.81","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","N-(2-aminophenyl)-2-nitrobenzamide","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0478","0.0413","","","0.1119","0.1152","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228920","19.61921","0.00015","8.74681","0.00005","27.9462","0.0002","90","","90","","90","","4795.72","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H59 F N8 O8 -","- C49 H59 F N8 O8 -","- C196 H236 F4 N32 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0425","0.0418","","","0.121","0.1219","","","","","","1.06","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228921","16.80152","0.00014","26.0097","0.0003","22.2194","0.0002","90","","108.608","0.001","90","","9202.31","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N2-(2-benzamidophenyl)-N6-(2-(4-cyanobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C100 H120.4 F2 N14 O8.2 -","- C100 H120 F2 N14 O8.2 -","- C400 H480 F8 N56 O32.8 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0774","0.0686","","","0.1747","0.1804","","","","","","1.096","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228922","11.16653","0.00006","16.03601","0.0001","24.54325","0.00015","90","","90","","90","","4394.88","0.05","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N2,N6-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H61 F N6 O4 -","- C49 H61 F N6 O4 -","- C196 H244 F4 N24 O16 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.033","0.032","","","0.084","0.085","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228923","19.7472","0.0009","11.8235","0.0006","16.8496","0.0006","90","","92.177","0.004","90","","3931.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H57 F N6 O3 -","- C42 H57 F N6 O3 -","- C168 H228 F4 N24 O12 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0684","0.0514","","","0.1332","0.1469","","","","","","1.024","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228930","7.92","0.003","7.92","0.003","19.588","0.004","90","","90","","90","","1228.7","0.7","170","","170","","","","","","","","","4","I 41/a m d","-I 4bd 2","141","","","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.1579","0.0571","","","0.1212","0.1644","","","","","","1.007","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228931","12.6238","0.0003","11.3737","0.0003","21.9526","0.0004","90","","105.404","0.0015","90","","3038.72","0.12","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.4 H26 F28.8 I7.2 N2 O2 -","- C32.3984 H26 F28.7968 I7.1992 N2 O2 -","- C64.7968 H52 F57.5936 I14.3984 N4 O4 -","2","0.5","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.0711","0.0581","","","0.1622","0.1726","","","","","","1.045","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228932","15.826","0.001","19.3955","0.0008","13.3936","0.0006","90","","90.345","0.005","90","","4111.1","0.4","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F8 I4 N O -","- C11 H9 F8 I4 N O -","- C88 H72 F64 I32 N8 O8 -","8","2","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0478","0.0394","","","0.0925","0.1025","","","","","","1.085","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228933","20.8752","0.0005","11.2667","0.0002","28.8275","0.0007","90","","108.327","0.003","90","","6436.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 F40 I10 N3 O3 -","- C29 H27 F40 I10 N3 O3 -","- C116 H108 F160 I40 N12 O12 -","4","1","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0336","0.0274","","","0.0503","0.0522","","","","","","1.123","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228934","16.0396","0.0005","18.4264","0.0004","20.1968","0.0006","90","","90","","90","","5969.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F8 I4 N O -","- C10 H7 F8 I4 N O -","- C120 H84 F96 I48 N12 O12 -","12","3","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0795","0.0576","","","0.1068","0.1187","","","","","","1.168","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228935","22.377","0.004","12.44","0.002","26.896","0.007","90","","111.367","0.003","90","","6972","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H88 Cl Ho N26 O38 -","- C44 H48 Cl Ho N26 O28 -","- C176 H192 Cl4 Ho4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0659","0.0592","","","0.1528","0.1577","","","","","","1.06","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228936","22.215","0.005","12.391","0.005","14.675","0.005","90","","108.468","0.005","90","","3831","2","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H88 Cl3 N24 O32 Tb -","- C44 H52 Cl3 N24 O22 Tb -","- C88 H104 Cl6 N48 O44 Tb2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71069","MoKα","","0.0515","0.0504","","","0.146","0.1479","","","","","","1.133","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228937","22.19","0.002","12.2997","0.0012","14.6385","0.0015","90","","108.175","0.003","90","","3796","0.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H90 Cl3 Dy N24 O33 -","- C44 H50 Cl3 Dy N24 O22 -","- C88 H100 Cl6 Dy2 N48 O44 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0491","0.0466","","","0.136","0.1391","","","","","","1.095","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228938","22.377","0.011","12.519","0.006","14.991","0.007","90","","108.19","0.01","90","","3990","3","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H104 Cl3 Eu N24 O40 -","- C44 H54 Cl3 Eu N24 O22 -","- C88 H108 Cl6 Eu2 N48 O44 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0654","0.0559","","","0.1418","0.1484","","","","","","1.042","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228939","22.2","0.02","12.287","0.013","26.75","0.03","90","","111.489","0.017","90","","6789","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H86 Cl Lu N26 O37 -","- C44 H48 Cl Lu N26 O28 -","- C176 H192 Cl4 Lu4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0665","0.051","","","0.1347","0.1445","","","","","","1.027","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228940","22.267","0.002","12.3118","0.0011","14.6937","0.0014","90","","108.292","0.003","90","","3824.7","0.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H106 Cl3 N24 O41 Tm -","- C44 H52 Cl3 N24 O22 Tm -","- C88 H104 Cl6 N48 O44 Tm2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0556","0.0509","","","0.127","0.1304","","","","","","1.081","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228941","22.449","0.018","12.43","0.01","26.83","0.02","90","","112.018","0.011","90","","6941","9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Cl Er N26 O35 -","- C44 H48 Cl Er N26 O28 -","- C176 H192 Cl4 Er4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0615","0.0563","","","0.1735","0.1842","","","","","","1.123","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228942","22.245","0.003","12.3258","0.0013","14.7424","0.0019","90","","108.334","0.004","90","","3837","0.8","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H106 Cl3 N24 O41 Yb -","- C44 H52 Cl3 N24 O22 Yb -","- C88 H104 Cl6 N48 O44 Yb2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0763","0.0576","","","0.133","0.1401","","","","","","1.032","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228943","22.316","0.005","12.427","0.003","26.976","0.006","90","","112.573","0.005","90","","6908","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H84 Cl Gd N26 O36 -","- C44 H48 Cl Gd N26 O28 -","- C176 H192 Cl4 Gd4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.1145","0.0983","","","0.2462","0.2541","","","","","","1.125","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228946","11.706","0.003","24.308","0.007","31.08","0.009","90","","95.568","0.005","90","","8802","4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H46 As2 Cu3 N6 O70 W17 -","- C9 H45 As2 Cu3 N6 O70 W17 -","- C36 H180 As8 Cu12 N24 O280 W68 -","4","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0814","0.0725","","","0.1162","0.1253","","","","","","1.02","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7228947","11.6435","0.0014","13.3208","0.0015","28.381","0.003","90.517","0.002","96.148","0.002","112.141","0.002","4048","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 As2 Cu3 N12 O69 W18 -","- C12 H64 As2 Cu3 N12 O69 W18 -","- C24 H128 As4 Cu6 N24 O138 W36 -","2","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0903","0.0791","","","0.1075","0.1134","","","","","","1.069","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7228948","25.9705","0.0011","8.7538","0.0005","45.267","0.003","90","","104.053","0.005","90","","9983","1","298","2","298","2","","","","","","","","6","I 2/c 1 1","-I 2yc","15","","","","- C40 H50 Cl F12 N5 O3 -","- C40 H50 Cl F12 N5 O3 -","- C320 H400 Cl8 F96 N40 O24 -","8","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1665","0.0969","","","0.2723","0.3049","","","","","","1.186","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228949","19.5913","0.0019","22.1973","0.0014","16.0329","0.0014","90","","102.823","0.009","90","","6798.4","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H88 F12 N6 O8 -","- C58 H88 F12 N6 O8 -","- C232 H352 F48 N24 O32 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.298","0.1262","","","0.2939","0.3616","","","","","","1.171","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228950","16.6244","0.0008","21.5012","0.0008","20.832","0.0009","90","","111.626","0.005","90","","6922.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 F24 N11 O7 -","- C57 H49 F24 N11 O7 -","- C228 H196 F96 N44 O28 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2039","0.1122","","","0.3241","0.3654","","","","","","1.171","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228951","17.9692","0.0015","20.9828","0.0014","9.5322","0.001","90","","104.706","0.009","90","","3476.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F12 N4 O4 S2 -","- C28 H26 F12 N4 O4 S2 -","- C112 H104 F48 N16 O16 S8 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1866","0.0957","","","0.2466","0.3055","","","","","","1.171","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228952","22.4903","0.0008","22.6667","0.0007","31.1019","0.0013","90","","96.97","0.003","90","","15738","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H186 F36 N16 O16 S2 -","- C136 H186 F36 N16 O16 S2 -","- C544 H744 F144 N64 O64 S8 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.288","0.1072","","","0.2547","0.3371","","","","","","1.04","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228953","13.4502","0.0011","8.6269","0.0015","20.472","0.002","90","","94.73","0.008","90","","2367.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 F12 N5 O5 -","- C42 H53 F12 N5 O5 -","- C84 H106 F24 N10 O10 -","2","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2019","0.1119","","","0.2513","0.2878","","","","","","1.177","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228954","23.096","0.004","17.557","0.003","9.015","0.0017","90","","112.545","0.004","90","","3376.2","1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H34.28 N10 O8 -","- C30 H34.224 N10 O8 -","- C120 H136.896 N40 O32 -","4","0.5","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","1.54184","CuKα","","0.0761","0.0722","","","0.2167","0.2211","","","","","","1.084","","","","has coordinates,has disorder","199884","2020-10-21","18:00:00",""
"7228955","10.955","0.002","9.0316","0.0015","18.918","0.004","90","","96.863","0.009","90","","1858.4","0.6","123","2","122.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N10 O4 -","- C24 H16 N10 O4 -","- C48 H32 N20 O8 -","2","0.5","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","0.71073","MoKα","","0.0815","0.0759","","","0.2194","0.226","","","","","","1.116","","","","has coordinates,has disorder","199884","2020-10-21","18:00:00",""
"7228956","10.953","0.003","9.0278","0.0018","20.734","0.005","90","","103.539","0.009","90","","1993.2","0.8","123","2","123.03","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N5 O5 S2 -","- C16 H22 N5 O5 S2 -","- C64 H88 N20 O20 S8 -","4","1","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","0.71073","MoKα","","0.0664","0.0463","","","0.1292","0.1407","","","","","","1.026","","","","has coordinates","199884","2020-10-21","18:00:00",""
"7228965","12.0926","0.0005","25.9263","0.001","9.6761","0.0004","90","","98.343","0.001","90","","3001.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.59 La2 N6 O14.79 S6 -","- C60 H45.588 La2 N6 O14.794 S6 -","- C120 H91.176 La4 N12 O29.588 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0322","0.0246","","","0.0453","0.0469","","","","","","1.089","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228966","8.407","0.0004","20.3347","0.0009","17.5788","0.0008","90","","98.1531","0.0016","90","","2974.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N3 O7 S3 Tm -","- C30 H22 N3 O7 S3 Tm -","- C120 H88 N12 O28 S12 Tm4 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0292","0.0202","","","0.0373","0.0392","","","","","","1.029","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228967","11.988","0.0005","25.6332","0.0011","9.6899","0.0004","90","","98.071","0.001","90","","2948.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N6 Nd2 O14.63 S6 -","- C60 H44 N6 Nd2 O14.634 S6 -","- C120 H88 N12 Nd4 O29.268 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0523","0.0309","","","0.0524","0.057","","","","","","1.001","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228968","11.9398","0.0004","25.4924","0.0011","9.7089","0.0004","90","","97.983","0.001","90","","2926.5","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.84 N6 O14.42 S6 Sm2 -","- C60 H44.844 N6 O14.422 S6 Sm2 -","- C120 H89.688 N12 O28.844 S12 Sm4 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0384","0.0258","","","0.0439","0.0463","","","","","","1.051","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228969","12.025","0.0006","25.737","0.0011","9.6972","0.0004","90","","98.165","0.002","90","","2970.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.28 N6 O14.64 Pr2 S6 -","- C60 H45.284 N6 O14.642 Pr2 S6 -","- C120 H90.568 N12 O29.284 Pr4 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0348","0.0262","","","0.0471","0.049","","","","","","1.093","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228970","16.5155","0.0008","10.1553","0.0005","17.0664","0.0008","90","","92.993","0.002","90","","2858.5","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Er N3 O7 S3 -","- C30 H22 Er N3 O7 S3 -","- C120 H88 Er4 N12 O28 S12 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0272","0.0241","","","0.0539","0.0548","","","","","","1.186","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228971","8.4315","0.0005","20.2753","0.0012","17.5412","0.0011","90","","98.219","0.002","90","","2967.9","0.3","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Lu N3 O7 S3 -","- C30 H22 Lu N3 O7 S3 -","- C120 H88 Lu4 N12 O28 S12 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0247","0.0208","","","0.0412","0.042","","","","","","1.155","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228972","8.4238","0.0004","20.2807","0.0009","17.5653","0.0008","90","","98.119","0.002","90","","2970.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Yb Monomer","","- C30 H22 N3 O7 S3 Yb -","- C30 H22 N3 O7 S3 Yb -","- C120 H88 N12 O28 S12 Yb4 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0442","0.0287","","","0.0519","0.0553","","","","","","1.02","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228973","11.8674","0.0006","25.2352","0.0012","9.728","0.0005","90","","97.574","0.002","90","","2887.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.63 Ho2 N6 O14.32 S6 -","- C60 H44.632 Ho2 N6 O14.316 S6 -","- C120 H89.264 Ho4 N12 O28.632 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0306","0.0248","","","0.0465","0.0477","","","","","","1.143","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228974","11.8744","0.0006","25.2718","0.0012","9.7179","0.0005","90","","97.716","0.002","90","","2889.8","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.59 Dy2 N6 O14.3 S6 -","- C60 H44.592 Dy2 N6 O14.296 S6 -","- C120 H89.184 Dy4 N12 O28.592 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0326","0.0244","","","0.0434","0.0451","","","","","","1.078","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228975","11.9277","0.0005","25.4424","0.001","9.7246","0.0005","90","","97.836","0.002","90","","2923.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RJB389","","- C60 H44.86 Eu2 N6 O14.43 S6 -","- C60 H44.86 Eu2 N6 O14.43 S6 -","- C120 H89.72 Eu4 N12 O28.86 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.026","0.0213","","","0.0428","0.0439","","","","","","1.102","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228976","12.045","0.0006","25.8165","0.0012","9.6836","0.0004","90","","98.27","0.001","90","","2979.9","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.39 Ce2 N6 O14.69 S6 -","- C60 H45.396 Ce2 N6 O14.698 S6 -","- C120 H90.792 Ce4 N12 O29.396 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0332","0.0254","","","0.0472","0.0489","","","","","","1.094","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228977","25.5787","0.0018","12.0144","0.0008","40.596","0.003","90","","106.38","0.002","90","","11969.3","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Ho2 N6 O14 S6 -","- C60 H44 Ho2 N6 O14 S6 -","- C480 H352 Ho16 N48 O112 S48 -","8","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0383","0.0328","","","0.0486","0.0491","","","","","","1.868","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228978","11.8918","0.0008","25.3435","0.0017","9.7176","0.0006","90","","97.76","0.001","90","","2901.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tb Dimer","","- C60 H44.74 N6 O14.37 S6 Tb2 -","- C60 H44.676 N6 O14.338 S6 Tb2 -","- C120 H89.352 N12 O28.676 S12 Tb4 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0235","0.0191","","","0.0387","0.0398","","","","","","1.061","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228979","11.91","0.0005","25.389","0.001","9.7186","0.0004","90","","97.852","0.002","90","","2911.2","0.2","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gd Dimer","","- C60 H44.74 Gd2 N6 O14.37 S6 -","- C60 H44.744 Gd2 N6 O14.372 S6 -","- C120 H89.488 Gd4 N12 O28.744 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0354","0.0239","","","0.0424","0.0446","","","","","","1.027","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7229033","22.185","0.004","18.725","0.004","23.73","0.005","90","","102.68","0.03","90","","9617","4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Cu2 N14 O15 -","- C48 H42 Cu2 N14 O15 -","- C384 H336 Cu16 N112 O120 -","8","2","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0665","0.0438","","","0.0834","0.0915","","","","","","1.037","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229034","12.7715","0.0005","13.2527","0.0005","14.5883","0.0005","116.24","0.001","101.36","0.001","95.472","0.001","2124.09","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cl2 Cu2 N8 O16 -","- C37 H36 Cl2 Cu2 N8 O15.999 -","- C74 H72 Cl4 Cu4 N16 O31.998 -","2","1","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0542","0.0392","","","0.0995","0.1129","","","","","","1.043","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229045","10.5179","0.0002","14.0136","0.0003","14.7009","0.0003","62.1907","0.001","73.1924","0.0011","80.894","0.0012","1833.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Cl4 Co4 N20 O22 -","- C52 H78 Cl4 Co4 N20 O22 -","- C52 H78 Cl4 Co4 N20 O22 -","1","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0472","0.039","","","0.0986","0.1064","","","","","","1.031","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229046","13.675","0.004","12.957","0.004","14.59","0.004","90","","94.204","0.003","90","","2578.2","1.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 Cl4 Co4 N10 O26 -","- C28 H60 Cl4 Co4 N10 O26 -","- C56 H120 Cl8 Co8 N20 O52 -","2","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0922","0.0582","","","0.1425","0.1624","","","","","","1.027","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229047","14.226","0.008","21.341","0.012","19.337","0.011","90","","109.717","0.005","90","","5526","5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl4 Co4 N10 O23 -","- C38 H54 Cl4 Co4 N10 O23 -","- C152 H216 Cl16 Co16 N40 O92 -","4","1","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.133","0.0648","","","0.1462","0.1844","","","","","","1.004","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229048","17.5789","0.001","9.5632","0.0003","23.9684","0.0008","90","","101.608","0.003","90","","3946.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Co6 N6 O24 -","- C54 H112 Co6 N6 O24 -","- C108 H224 Co12 N12 O48 -","2","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.1195","0.074","","","0.1823","0.2061","","","","","","1.032","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229049","18.9823","0.0004","31.2644","0.0005","19.2712","0.0004","90","","120.764","0.0013","90","","9827.5","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H62 Co5 N16 O12 -","- C30 H62 Co5 N16 O12 -","- C240 H496 Co40 N128 O96 -","8","2","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0777","0.0462","","","0.0887","0.101","","","","","","0.985","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229050","17.872","0.003","26.479","0.005","15.968","0.003","90","","90","","90","","7557","2","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C50 H96 Co4 N5 Na O20 -","- C50 H96 Co4 N5 Na O20 -","- C200 H384 Co16 N20 Na4 O80 -","4","0.25","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0869","0.0586","","","0.1628","0.19","","","","","","1.052","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229051","16.521","0.005","8.034","0.003","11.901","0.004","90","","90","","90","","1579.6","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0506","0.0466","","","0.1156","0.1215","","","","","","1.002","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229052","8.8232","0.0003","8.8232","0.0003","9.5989","0.0004","90","","90","","90","","747.26","0.05","296","2","296","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C12 H40 Ca2 Cl4 N4 O12 -","2","0.0625","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0618","0.0589","","","0.1563","0.1613","","","","","","1.167","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229053","11.659","0.004","13.089","0.004","9.589","0.004","90","","90","","90","","1463.3","0.9","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C24 H80 Ca4 Cl8 N8 O24 -","4","0.25","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.1007","0.0983","","","0.2476","0.249","","","","","","1.398","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229054","8.011","0.003","16.63","0.007","11.63","0.005","90","","90.202","0.005","90","","1549.4","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.039","0.0388","","","0.12","0.1214","","","","","","1.174","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229058","7.116","0.0004","13.6637","0.0007","19.0629","0.0012","90","","90","","90","","1853.5","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H33 N3 O9 P2 -","- C10 H33 N3 O9 P2 -","- C40 H132 N12 O36 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0456","0.0362","","","0.0813","0.086","","","","","","1.048","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229059","6.6881","0.0003","14.5479","0.0008","18.9197","0.0012","90","","95.223","0.005","90","","1833.2","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H64 N6 O21 P4 -","- C16 H64 N6 O21 P4 -","- C32 H128 N12 O42 P8 -","2","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.056","0.0398","","","0.0937","0.1037","","","","","","1.036","","","","has coordinates,has disorder","200192","2020-10-21","18:00:00",""
"7229060","6.5601","0.0002","14.3307","0.0004","17.7022","0.0005","90","","91.825","0.002","90","","1663.35","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H29 N3 O10 P2 -","- C7 H29 N3 O10 P2 -","- C28 H116 N12 O40 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.048","0.0364","","","0.0835","0.0889","","","","","","1.076","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229061","16.4593","0.0003","12.5327","0.0003","12.4717","0.0003","90","","91.612","0.002","90","","2571.64","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H39 N13 O14 P2 -","- C10 H39 N13 O14 P2 -","- C40 H156 N52 O56 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.0383","0.031","","","0.0752","0.0805","","","","","","1.031","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229062","8.8351","0.0002","11.5516","0.0003","28.2122","0.0007","90","","90","","90","","2879.32","0.12","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N3 O9 P2 -","- C6 H25 N3 O9 P2 -","- C48 H200 N24 O72 P16 -","8","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.028","0.0253","","","0.0665","0.0688","","","","","","1.066","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229063","6.8311","0.0002","16.1499","0.0006","18.8388","0.0006","90","","97.751","0.003","90","","2059.34","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 N3 O11 P2 -","- C12 H33 N3 O11 P2 -","- C48 H132 N12 O44 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0381","0.0312","","","0.0808","0.0857","","","","","","1.064","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229064","43.221","0.0013","8.4871","0.0002","11.9087","0.0004","90","","98.289","0.003","90","","4322.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H80 N6 O19 P4 -","- C26 H80 N6 O19 P4 -","- C104 H320 N24 O76 P16 -","4","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54178","CuKα","","0.0399","0.033","","","0.0826","0.0879","","","","","","1.042","","","","has coordinates,has disorder","200192","2020-10-21","18:00:00",""
"7229065","8.5015","0.0003","11.7989","0.0004","25.7287","0.001","77.382","0.003","85.424","0.003","90.021","0.003","2510.02","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H39 N3 O9 P2 -","- C20 H39 N3 O9 P2 -","- C80 H156 N12 O36 P8 -","4","2","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.0826","0.0709","","","0.216","0.2259","","","","","","1.114","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229066","7.0822","0.0006","16.2842","0.001","16.4233","0.001","89.909","0.005","82.523","0.006","87.458","0.006","1876.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H33 N3 O10 P2 -","- C10 H33 N3 O10 P2 -","- C40 H132 N12 O40 P8 -","4","2","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54178","CuKα","","0.0862","0.0518","","","0.116","0.1253","","","","","","0.933","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229067","11.1115","0.0007","12.5077","0.0008","16.1965","0.0004","85.612","0.003","89.685","0.003","64.385","0.006","2022.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 N11 Ni O15 -","- C30 H15 N5 Ni O9 -","- C60 H30 N10 Ni2 O18 -","2","1","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0746","0.0543","","","0.1376","0.1498","","","","","","1.033","","","","has coordinates","200193","2020-10-21","18:00:00",""
"7229068","19.5137","0.0006","19.5137","0.0006","22.1533","0.0016","90","","90","","90","","8435.6","0.7","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C90 H174 N28 Ni O36 -","- C30 H26 N8 Ni O12 -","- C240 H208 N64 Ni8 O96 -","8","0.5","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0769","0.0745","","","0.2014","0.2036","","","","","","1.077","","","","has coordinates,has disorder","200193","2020-10-21","18:00:00",""
"7229069","9.8571","0.0006","11.2573","0.0007","16.1205","0.0008","89.642","0.004","83.978","0.005","82.956","0.005","1765.46","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 N8 Ni O12 -","- C34 H28 N7 Ni O11 -","- C68 H56 N14 Ni2 O22 -","2","1","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0654","0.0593","","","0.1638","0.1703","","","","","","1.063","","","","has coordinates","200193","2020-10-21","18:00:00",""
"7229076","17.249","0.003","28.481","0.005","31.388","0.006","90","","97.584","0.003","90","","15285","5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H171 Co10 N42 O38 -","- C114 H171 Co10 N42 O38 -","- C456 H684 Co40 N168 O152 -","4","1","","Shao, Dong; Shi, Le; Shen, Fuxing; Wang, Xin-Yi","A cyano-bridged coordination nanotube showing field-induced slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE01436H","","","0.71073","MoKα","","0.135","0.0792","","","0.2318","0.2764","","","","","","1.022","","","","has coordinates","200260","2020-10-21","18:00:00",""
"7229083","4.8225","0.0014","15.9142","0.0019","18.336","0.003","90","","90","","90","","1407.2","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Ag N3 O9 P -","- C9 H15 Ag N3 O9 P -","- C36 H60 Ag4 N12 O36 P4 -","4","1","","Terron, Angel; Tomas, Llorenç; Bauza, Antonio; garcia-raso, Angel; Fiol, Juan J.; Molins, Elies; Frontera, Antonio","The First X-Ray Structure of a Silver‒Nucleotide Complex: Interaction of Ion Ag(I) with Cytidine-5’-Monophosphate","CrystEngComm","2017","","","","","10.1039/C7CE01400G","","x-ray","0.71073","MoKα","","0.0418","0.0338","","","0.0812","0.0851","","","","","","1.113","","","","has coordinates","200359","2020-10-21","18:00:00",""
"7229084","10.1333","0.0005","11.1817","0.0006","13.0022","0.0005","67.154","0.004","80.809","0.004","64.995","0.005","1230.4","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(1,2-diiodotetrafluorobenzene)","(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(1,2-diiodotetrafluorobenzene)","","- C24 H23 F4 I2 N O2 -","- C24 H23 F4 I2 N O2 -","- C48 H46 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0572","0.0296","","","0.056","0.0594","","","","","","0.813","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229085","7.6601","0.0003","12.7245","0.0005","13.2834","0.0006","98.744","0.003","103.077","0.004","107.441","0.004","1169.04","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0825","0.0463","","","0.1463","0.1567","","","","","","1.11","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229086","6.5387","0.0003","15.6854","0.0006","11.6872","0.0004","90","","99.614","0.004","90","","1181.83","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0627","0.0372","","","0.08","0.086","","","","","","0.876","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229087","7.1326","0.0007","13.0545","0.0009","34.263","0.003","90","","90","","90","","3190.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.1862","0.0414","","","0.0546","0.0674","","","","","","0.62","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229088","9.226","0.0004","10.0931","0.0004","12.4702","0.0004","95.431","0.003","95.804","0.003","116.039","0.004","1025.36","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(14-diiodotetrafluorobenzene)","bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(14-diiodotetrafluorobenzene)","","- C42 H46 F4 I2 N2 O4 -","- C42 H46 F4 I2 N2 O4 -","- C42 H46 F4 I2 N2 O4 -","1","0.5","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0687","0.0549","","","0.1534","0.1586","","","","","","0.993","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229089","24.4632","0.0017","9.9876","0.0007","6.6405","0.0005","90","","93.113","0.006","90","","1620.1","0.2","364","","364","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato)]","","- C16 H14 Ca O7 -","- C16 H14 Ca O7 -","- C64 H56 Ca4 O28 -","4","1","","Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data","CrystEngComm","2017","","","","","10.1039/C7CE01389B","powder diffraction","","0.6954","synchrotron","","","","","","","","","4.241","49.33","","","","","","","has coordinates","200390","2020-10-21","18:00:00",""
"7229090","25.0265","0.0015","10.0028","0.0006","6.6715","0.0003","90","","94.482","0.005","90","","1665","0.16","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CPO-70-Ca (AS)","poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato) aqua monosolvate]","","- C16 H16 Ca O8 -","- C16 H15.72 Ca O7.86 -","- C64 H62.88 Ca4 O31.44 -","4","1","","Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data","CrystEngComm","2017","","","","","10.1039/C7CE01389B","powder diffraction","","0.6954","synchrotron","","","","","","","","","4.468","47.57","","","","","","","has coordinates","200390","2020-10-21","18:00:00",""
"7229091","16.0748","0.0004","16.0748","0.0004","22.7327","0.0013","90","","90","","90","","5874.1","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 N14 O82 S16 Sm10 -","- C28 H112 N14 O82 S16 Sm10 -","- C56 H224 N28 O164 S32 Sm20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0615","0.0373","","","0.1055","0.1221","","","","","","1.092","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229092","16.144","0.006","16.144","0.006","22.809","0.009","90","","90","","90","","5945","4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H138 N14 O82 S16 Tb10 -","- C28 H112 N14 O82 S16 Tb10 -","- C56 H224 N28 O164 S32 Tb20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0989","0.053","","","0.127","0.1392","","","","","","1.112","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229093","15.98","0.0007","15.98","0.0007","22.646","0.002","90","","90","","90","","5782.9","0.6","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Er10 N14 O82 S16 -","- C28 H112 Er10 N14 O82 S16 -","- C56 H224 Er20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1297","0.0981","","","0.181","0.19","","","","","","1.169","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229094","16.0974","0.0013","16.0974","0.0013","22.864","0.0018","90","","90","","90","","5924.7","0.8","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Eu10 N14 O82 S16 -","- C28 H112 Eu10 N14 O82 S16 -","- C56 H224 Eu20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1101","0.0888","","","0.1888","0.1959","","","","","","1.18","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229095","16.0542","0.0005","16.0542","0.0005","22.7238","0.0014","90","","90","","90","","5856.8","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Dy10 N14 O82 S16 -","- C28 H112 Dy10 N14 O82 S16 -","- C56 H224 Dy20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0734","0.0502","","","0.1222","0.1304","","","","","","1.051","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229096","15.883","0.007","5.585","0.004","10.779","0.01","90","","108.17","0.01","90","","908.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N2 Na O4 S -","- C5 H9 N2 Na O4 S -","- C20 H36 N8 Na4 O16 S4 -","4","1","","ARDIZZOIA, G.ATTILIO; Brenna, Stefano; Civati, Francesco; Colombo, Valentina; Sironi, Angelo","A Phosphorescent Copper(I) Coordination Polymer with Sodium 3,5-dimethyl-4-sulfonate Pyrazolate","CrystEngComm","2017","","","","","10.1039/C7CE01404J","","","0.71073","MoKα","","0.0785","0.0514","","","0.0952","0.1012","","","","","","1.111","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7229097","31.61138","0.00054","5.54791","0.00014","10.82291","0.0003","90","","96.9743","0.002","90","","1884.05","0.08","298","2","298","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","CuLNa*H2O","","","- C40 H64 Cu8 N16 Na8 O32 S8 -","- C5 H6 Cu N2 Na O4 S -","- C40 H48 Cu8 N16 Na8 O32 S8 -","8","1","","ARDIZZOIA, G.ATTILIO; Brenna, Stefano; Civati, Francesco; Colombo, Valentina; Sironi, Angelo","A Phosphorescent Copper(I) Coordination Polymer with Sodium 3,5-dimethyl-4-sulfonate Pyrazolate","CrystEngComm","2017","","","","","10.1039/C7CE01404J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","200508","2020-10-21","18:00:00",""
"7229098","13.622","0.003","16.126","0.003","18.28","0.004","90","","109.949","0.003","90","","3774.6","1.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cd3 N6 O12 -","- C30 H18 Cd3 N6 O12 -","- C120 H72 Cd12 N24 O48 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0574","0.0441","","","0.1001","0.1064","","","","","","1.078","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229099","14.934","0.002","16.586","0.003","10.0901","0.0016","90","","90","","90","","2499.3","0.7","293.15","","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cd N6 O5 -","- C26 H20 Cd N6 O5 -","- C104 H80 Cd4 N24 O20 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.710747","MoKα","","0.0362","0.0277","","","0.07","0.0734","","","","","","1.041","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229100","18.4042","0.0005","15.8373","0.0003","27.9693","0.0007","90","","90","","90","","8152.3","0.3","223","0.1","223","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H78 Cd4 N12 O27 -","- C80 H68 Cd4 N12 O27 -","- C320 H272 Cd16 N48 O108 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0421","0.0298","","","0.0668","0.0715","","","","","","1.051","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229101","9.785","0.002","10.345","0.003","11.126","0.003","78.4","0.009","82.174","0.012","82.427","0.011","1086.6","0.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N6 O6 -","- C20 H20 Cd N6 O6 -","- C40 H40 Cd2 N12 O12 -","2","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0271","0.0228","","","0.0524","0.0534","","","","","","1.002","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229102","11.0996","0.0005","17.0411","0.0008","22.1425","0.001","90","","95.144","0.001","90","","4171.4","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd2 N12 O11 -","- C40 H38 Cd2 N12 O11 -","- C160 H152 Cd8 N48 O44 -","4","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0369","0.026","","","0.0565","0.0604","","","","","","1.038","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229103","24.418","0.007","15.686","0.004","21.471","0.006","90","","114.597","0.005","90","","7478","4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cd5 N18 O24 -","- C56 H56 Cd5 N18 O24 -","- C224 H224 Cd20 N72 O96 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0844","0.0697","","","0.1732","0.1842","","","","","","1.095","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229104","17.1401","0.0011","6.7651","0.0004","22.1684","0.0012","90","","94.427","0.003","90","","2562.9","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N3 O4 -","- C14 H9 Cd N3 O4 -","- C112 H72 Cd8 N24 O32 -","8","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.024","0.0229","","","0.0566","0.0572","","","","","","1.075","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229105","7.641","0.003","19.081","0.007","15.21","0.006","90","","91.496","0.007","90","","2216.8","1.5","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cd N6 O6 -","- C21 H20 Cd N6 O6 -","- C84 H80 Cd4 N24 O24 -","4","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.103","0.0768","","","0.2293","0.2416","","","","","","1.062","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229106","9.915","0.003","4.8296","0.0013","11.944","0.003","90","","92.907","0.009","90","","571.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0921","0.0677","","","0.1715","0.1869","","","","","","1.053","","","","has coordinates","200511","2020-10-21","18:00:00",""
"7229107","26.39","0.004","4.7685","0.0007","9.8738","0.0014","90","","102.406","0.005","90","","1213.5","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0383","0.0321","","","0.084","0.0882","","","","","","1.039","","","","has coordinates,has disorder","200511","2020-10-21","18:00:00",""
"7229108","9.2793","0.0005","12.9527","0.0007","16.6542","0.001","90","","99.379","0.006","90","","1974.94","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0481","0.0323","","","0.0613","0.0668","","","","","","1.035","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229109","9.2792","0.0004","13.0556","0.0005","16.7552","0.0007","90","","98.611","0.004","90","","2006.94","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0481","0.0344","","","0.0698","0.0757","","","","","","1.044","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229110","9.2318","0.0004","13.1472","0.0006","17.0207","0.0009","90","","96.736","0.005","90","","2051.58","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.045","0.0309","","","0.0596","0.0649","","","","","","1.029","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229111","9.2754","0.0004","13.0534","0.0005","16.7384","0.0007","90","","98.677","0.004","90","","2003.41","0.14","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0468","0.0328","","","0.0676","0.0736","","","","","","1.059","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229112","9.271","0.0004","13.0533","0.0005","16.7207","0.0007","90","","98.733","0.004","90","","2000.03","0.14","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0459","0.0328","","","0.0653","0.0711","","","","","","1.051","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229113","9.2897","0.0004","13.0472","0.0005","16.673","0.0008","90","","98.853","0.004","90","","1996.77","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0434","0.0313","","","0.0642","0.0697","","","","","","1.051","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229114","9.2937","0.0005","12.9717","0.0006","16.6893","0.0009","90","","99.227","0.005","90","","1985.95","0.18","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0479","0.0328","","","0.0663","0.0733","","","","","","1.024","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229115","9.2812","0.0004","13.0534","0.0006","16.6886","0.0008","90","","98.782","0.004","90","","1998.14","0.16","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0449","0.0324","","","0.0674","0.073","","","","","","1.053","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229116","9.2479","0.0004","13.1454","0.0005","17.0808","0.001","90","","96.51","0.004","90","","2063.08","0.17","190","2","190","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0483","0.0328","","","0.0653","0.0718","","","","","","1.018","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229117","9.307","0.001","13.0321","0.0014","16.893","0.002","90","","98.34","0.011","90","","2027.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.1213","0.0881","","","0.207","0.2445","","","","","","1.107","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229118","9.3167","0.0008","13.0913","0.0011","17.0815","0.0016","90","","97.385","0.009","90","","2066.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0692","0.0522","","","0.1101","0.1256","","","","","","1.056","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229119","9.2551","0.0004","13.1357","0.0005","17.1243","0.001","90","","96.291","0.005","90","","2069.3","0.17","272","2","272","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0483","0.0325","","","0.0602","0.0664","","","","","","1.03","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229120","9.3062","0.0005","13.1239","0.0006","17.3489","0.0012","90","","95.366","0.006","90","","2109.6","0.2","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0628","0.0382","","","0.0666","0.0754","","","","","","1.04","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229121","9.3256","0.0002","12.9851","0.0003","16.7595","0.0004","90","","99.118","0.002","90","","2003.83","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0236","0.0186","","","0.0397","0.0415","","","","","","1.047","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229122","9.3072","0.0004","13.0089","0.0005","16.7706","0.0009","90","","98.852","0.005","90","","2006.34","0.16","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0546","0.0381","","","0.0829","0.0914","","","","","","1.032","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229123","9.3116","0.0004","13.0129","0.0005","16.7859","0.0009","90","","98.811","0.004","90","","2009.96","0.16","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.055","0.0384","","","0.0822","0.0904","","","","","","1.046","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229124","9.2898","0.0005","13.0891","0.0005","16.8662","0.0011","90","","98.239","0.005","90","","2029.68","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0452","0.0332","","","0.0708","0.0766","","","","","","1.04","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229125","9.2331","0.0003","13.1391","0.0004","16.9695","0.0005","90","","97.1","0.003","90","","2042.86","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0358","0.0279","","","0.0627","0.0666","","","","","","1.033","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229126","9.3067","0.0004","13.0094","0.0005","16.7577","0.0008","90","","98.924","0.004","90","","2004.37","0.15","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0559","0.0398","","","0.0874","0.096","","","","","","1.043","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229127","9.2689","0.0004","13.0528","0.0005","16.7054","0.0007","90","","98.782","0.004","90","","1997.41","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0661","0.0716","","","","","","1.041","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229128","9.3358","0.0002","12.9883","0.0003","16.7838","0.0005","90","","99.045","0.003","90","","2009.83","0.09","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0258","0.0198","","","0.0425","0.0446","","","","","","1.048","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229129","9.3083","0.0004","13.0063","0.0005","16.7422","0.0008","90","","98.957","0.004","90","","2002.2","0.15","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0529","0.0378","","","0.0832","0.09","","","","","","1.032","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229130","9.2772","0.0004","13.1359","0.0006","17.2076","0.0011","90","","95.944","0.005","90","","2085.72","0.19","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0537","0.0345","","","0.0645","0.0723","","","","","","1.036","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229131","9.3149","0.0004","13.0139","0.0005","16.7987","0.0009","90","","98.765","0.005","90","","2012.61","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0545","0.0369","","","0.0826","0.0901","","","","","","1.054","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229132","9.203","0.0003","13.1728","0.0005","16.9033","0.0006","90","","97.338","0.004","90","","2032.39","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0401","0.0284","","","0.0558","0.0603","","","","","","1.033","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229133","9.2881","0.0004","13.0071","0.0005","16.7446","0.0007","90","","98.816","0.004","90","","1999.04","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0487","0.0335","","","0.0669","0.0732","","","","","","1.053","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229134","9.3266","0.0002","12.9762","0.0003","16.7496","0.0004","90","","99.174","0.002","90","","2001.17","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0229","0.0181","","","0.0394","0.0409","","","","","","1.043","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229135","9.3067","0.0004","13.0046","0.0005","16.7285","0.0008","90","","99.001","0.004","90","","1999.72","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N3.999 O4.998 Pt S -","- C52 H116 F12 N15.996 O19.992 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0498","0.0358","","","0.0789","0.0854","","","","","","1.042","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229136","9.3268","0.0002","12.9755","0.0003","16.7508","0.0004","90","","99.17","0.002","90","","2001.27","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0236","0.0187","","","0.0412","0.0429","","","","","","1.04","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229137","9.2636","0.0003","13.1409","0.0004","17.1074","0.0006","90","","96.567","0.003","90","","2068.85","0.12","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0273","0.0213","","","0.0461","0.0487","","","","","","1.034","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229138","9.3397","0.0003","13.0157","0.0004","16.8317","0.0006","90","","98.814","0.003","90","","2021.94","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0313","0.025","","","0.0532","0.0558","","","","","","1.054","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229139","9.2899","0.0003","13.1228","0.0004","17.2055","0.0005","90","","96.12","0.003","90","","2085.56","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0292","0.0222","","","0.0486","0.0516","","","","","","1.044","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229140","9.3533","0.0005","13.1046","0.0004","17.4169","0.0008","90","","95.472","0.004","90","","2125.08","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0496","0.0324","","","0.0707","0.0791","","","","","","1.039","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229141","9.3316","0.0002","12.9806","0.0003","16.7653","0.0004","90","","99.125","0.002","90","","2005.08","0.08","210","2","210","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0243","0.0191","","","0.041","0.0429","","","","","","1.055","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229142","8.2449","0.0003","19.4227","0.0008","8.8011","0.0003","90","","113.635","0.001","90","","1291.17","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu I N4 -","- C10 H14 Cu I N4 -","- C40 H56 Cu4 I4 N16 -","4","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0413","0.0271","","","0.0565","0.0611","","","","","","1.044","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229143","4.3887","0.0007","19.267","0.003","8.9217","0.0015","90","","91.73","0.003","90","","754","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cu2 I2 N4 -","- C10 H14 Cu2 I2 N4 -","- C20 H28 Cu4 I4 N8 -","2","0.5","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0454","0.0418","","","0.0921","0.0935","","","","","","1.294","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229144","8.866","0.0012","9.0619","0.0012","12.1365","0.0016","91.656","0.002","97.796","0.002","101.32","0.002","945.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu I N4 -","- C18 H22 Cu I N4 -","- C36 H44 Cu2 I2 N8 -","2","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0356","0.0283","","","0.0762","0.081","","","","","","1.035","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229145","17.421","0.007","15.653","0.006","23.368","0.009","90","","105.588","0.005","90","","6138","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu4 I4 N16 -","- C56 H56 Cu4 I4 N16 -","- C224 H224 Cu16 I16 N64 -","4","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0703","0.0313","","","0.0574","0.0715","","","","","","1.005","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229158","7.3027","0.0014","7.7089","0.0015","10.368","0.002","93.184","0.003","98.654","0.003","107.39","0.003","547.52","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","THY: 2,4 DAP","","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","0.71073","MoKα","","0.0442","0.039","","","0.1197","0.1264","","","","","","1.07","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229159","6.9654","0.0005","6.9947","0.0005","15.4852","0.001","83.219","0.002","87.719","0.002","73.739","0.002","719.19","0.09","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","thymine:2,4-diamino-6-hydroxypyrimidine trihydrate","T:DAHP.3H2O","","- C9 H18 N6 O6 -","- C9 H18 N6 O6 -","- C18 H36 N12 O12 -","2","1","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","0.71073","MoKα","","0.0915","0.0624","","","0.1139","0.1223","","","","","","1.189","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229160","6.7793","0.0002","12.3197","0.0004","14.8694","0.0004","104.716","0.0014","96.7763","0.0013","90.5177","0.0014","1191.76","0.06","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","Thymine:2,4,6-triaminopyrimidine","T:246TAPM","","- C9 H15 N7 O3 -","- C9 H15 N7 O3 -","- C36 H60 N28 O12 -","4","2","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","1.54178","CuKα","","0.0569","0.0556","","","0.1527","0.1546","","","","","","1.066","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229161","40.6077","0.0014","8.7048","0.0003","17.2621","0.0006","90","","97.184","0.002","90","","6053.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 N4 O13 -","- C67 H74 N4 O13 -","- C268 H296 N16 O52 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1354","0.0665","","","0.1344","0.1617","","","","","","1.069","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229162","58.8257","0.001","8.8831","0.0001","17.2873","0.0003","90","","100.318","0.001","90","","8887.5","0.2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 N3 O10 -","- C50 H55 N3 O10 -","- C400 H440 N24 O80 -","8","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.0694","0.0461","","","0.1071","0.1205","","","","","","1.022","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229163","33.8536","0.0012","8.303","0.0003","17.6214","0.0006","90","","102.686","0.002","90","","4832.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H59 N2 O10 -","- C55 H59 N2 O10 -","- C220 H236 N8 O40 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1368","0.0588","","","0.1151","0.1417","","","","","","1.003","","","","has coordinates,has disorder","200867","2020-10-21","18:00:00",""
"7229164","21.6976","0.0007","7.7355","0.0003","26.0438","0.0009","90","","93.278","0.002","90","","4364.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O12 -","- C48 H56 N2 O12 -","- C192 H224 N8 O48 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1819","0.0878","","","0.1665","0.2035","","","","","","1.03","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229165","9.3153","0.0018","21.323","0.004","30.484","0.006","90","","90","","90","","6055","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C196 H160 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.1205","0.0722","","","0.0683","0.0788","","","","","","1.069","","","","has coordinates,has disorder","200868","2020-10-21","18:00:00",""
"7229166","9.2472","0.0001","21.2695","0.0002","30.2936","0.0004","90","","90","","90","","5958.25","0.12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C192 H152 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","1.54178","CuKα","","0.0683","0.0666","","","0.1715","0.1749","","","","","","1.001","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229167","7.0697","0.0005","24.7757","0.0019","18.1496","0.0014","90","","99.049","0.001","90","","3139.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C84 H84 Cu14 I12 N14 O42 Pr4 -","2","0.5","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.038","0.0343","","","0.0905","0.093","","","","","","1.068","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229169","36.88","0.03","11.065","0.008","19.195","0.013","90","","121.141","0.008","90","","6704","9","320","2","320","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H114 Si2 -","- C264 H456 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3692","0.1291","","","0.3138","0.4925","","","","","","0.954","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229170","35.097","0.003","11.4728","0.001","16.9361","0.0014","90","","110.809","0.001","90","","6374.7","0.9","200","2","200","2","","","","","","","no","3","C 1 2/c 1","-C 2yc","15","C18satBiphCage","C18satBiphCage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","0.5","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.1177","0.0837","","","0.2458","0.2783","","","","","","1.063","","","","has coordinates,has disorder","200912","2020-10-21","18:00:00",""
"7229171","36.52","0.03","10.968","0.009","19.057","0.016","90","","120.161","0.012","90","","6600","9","280","2","280","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3565","0.1208","","","0.3104","0.471","","","","","","0.955","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229172","12.8652","0.0016","13.2912","0.0018","21.1257","0.0018","90","","119.797","0.005","90","","3134.8","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl10 Dy2 N8 O6 -","- C56 H52 Cl10 Dy2 N8 O6 -","- C112 H104 Cl20 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang","Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand","CrystEngComm","2017","","","","","10.1039/C7CE01269A","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200913","2020-10-21","18:00:00",""
"7229173","21.186","0.009","15.093","0.009","21.803","0.012","90","","116.915","0.014","90","","6217","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl10 Dy2 N8 O6 -","- C56 H52 Cl10 Dy2 N8 O6 -","- C224 H208 Cl40 Dy8 N32 O24 -","4","0.5","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang","Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand","CrystEngComm","2017","","","","","10.1039/C7CE01269A","","","0.71073","MoKα","","0.076","0.0494","","","0.1162","0.1261","","","","","","1.094","","","","has coordinates","200913","2020-10-21","18:00:00",""
"7229175","7.0515","0.0005","8.1392","0.0006","16.8642","0.0011","90","","90","","90","","967.9","0.12","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Cu N O5 P -","- C7 H12 Cu N O5 P -","- C28 H48 Cu4 N4 O20 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0219","0.0204","","","0.0472","0.0476","","","","","","1.085","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229176","6.7846","0.0006","11.3724","0.001","14.25","0.0013","90","","90","","90","","1099.49","0.17","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N O6 P -","- C8 H16 Cu N O6 P -","- C32 H64 Cu4 N4 O24 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0296","0.028","","","0.0797","0.0807","","","","","","1.02","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229177","8.7089","0.0004","12.6968","0.0005","13.574","0.0005","90","","90","","90","","1500.95","0.11","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cd2 Cl2 N O7 P -","- C7 H16 Cd2 Cl2 N O7 P -","- C28 H64 Cd8 Cl8 N4 O28 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0152","0.0149","","","0.0369","0.037","","","","","","1.049","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229178","10.328","0.002","11.176","0.002","18.112","0.004","75.76","0.03","79.16","0.03","88.31","0.03","1989.9","0.8","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) (2-methyl-2-propanol) (2-propanol) Clathrate","","- C98 H90 O10 -","- C98 H90 O10 -","- C98 H90 O10 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0646","0.0451","","","0.1092","0.1195","","","","","","1.04","","","","has coordinates,has disorder","201006","2020-10-21","18:00:00",""
"7229179","9.693","0.0019","14.066","0.003","21.052","0.004","83.94","0.03","82.7","0.03","89.93","0.03","2830.9","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","bi 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (2-propanol) (chloroform) Clathrate","","- C66 H61 Cl3 O7 -","- C66 H61 Cl3 O7 -","- C132 H122 Cl6 O14 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0559","0.0449","","","0.1118","0.1198","","","","","","1.038","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229180","10.15","0.002","10.397","0.002","18.78","0.004","104.29","0.03","94.58","0.03","96.7","0.03","1895.2","0.7","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","tri 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-propanol) Clathrate","","- C96 H86 O10 -","- C96 H86 O10 -","- C96 H86 O10 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0617","0.0463","","","0.1124","0.1223","","","","","","1.037","","","","has coordinates,has disorder","201006","2020-10-21","18:00:00",""
"7229181","9.4041","0.0019","9.4706","0.0019","12.423","0.003","111.38","0.03","96.88","0.03","95.54","0.03","1011","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-methyl-2-propanoll) Clathrate","","- C44 H58 O6 -","- C44 H58 O6 -","- C44 H58 O6 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.086","0.0574","","","0.1363","0.1537","","","","","","1.03","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229182","10.314","0.002","18.768","0.004","20.269","0.004","83.06","0.03","81.59","0.03","82.49","0.03","3827.3","1.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","tri 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-propanol) Clathrate","","- C96 H86 O10 -","- C96 H86 O10 -","- C192 H172 O20 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.1071","0.0576","","","0.1313","0.1543","","","","","","1.029","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229183","8.5974","0.0017","9.1212","0.0018","11.602","0.002","92.96","0.03","102.02","0.03","117.04","0.03","781.3","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (tert-butanol) Clathrate","","- C36 H38 O4 -","- C36 H38 O4 -","- C36 H38 O4 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0553","0.049","","","0.1324","0.1381","","","","","","1.058","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229184","8.778","0.008","10.165","0.009","10.918","0.009","78.86","0.02","69.57","0.03","72.29","0.04","865.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 F3 N3 O2 -","- C6 H6 F3 N3 O2 -","- C24 H24 F12 N12 O8 -","4","2","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.1914","0.0804","","","0.2085","0.2692","","","","","","1.027","","","","has coordinates,has disorder","201007","2020-10-21","18:00:00",""
"7229185","21.414","0.0016","9.4256","0.0009","9.4548","0.0007","90","","99.38","0.005","90","","1882.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O12 P3 -","- C12 H19 N2 O12 P3 -","- C48 H76 N8 O48 P12 -","4","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0599","0.0435","","","0.1031","0.1143","","","","","","1.037","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229186","13.6957","0.0003","5.5311","0.0001","14.345","0.0003","90","","109.224","0.001","90","","1026.07","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cl3 N3 O2 -","- C6 H6 Cl3 N3 O2 -","- C24 H24 Cl12 N12 O8 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0436","0.0369","","","0.0938","0.1012","","","","","","1.049","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229187","4.5002","0.0002","8.7726","0.0003","19.7107","0.0008","90","","90","","90","","778.15","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","- C16 H32 N12 O16 P4 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0293","0.0279","","","0.068","0.0687","","","","","","1.065","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229188","9.264","0.0007","4.7949","0.0003","17.7033","0.0013","90","","90.536","0.002","90","","786.35","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O8 P2 -","- C12 H16 N2 O8 P2 -","- C24 H32 N4 O16 P4 -","2","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0616","0.0477","","","0.1116","0.1193","","","","","","1.076","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229189","5.0554","0.0009","7.5644","0.0013","9.029","0.0014","72.096","0.011","79.191","0.011","80.625","0.011","320.68","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Br N3 -","- C4 H6 Br N3 -","- C8 H12 Br2 N6 -","2","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.031","0.0259","","","0.0623","0.0642","","","","","","1.088","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229190","9.0017","0.0007","21.128","0.002","11.7627","0.0009","90","","90.617","0.005","90","","2237","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 O4 S -","- C7 H13 N3 O4 S -","- C56 H104 N24 O32 S8 -","8","2","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","1.54178","CuKα","","0.1262","0.0923","","","0.2829","0.3268","","","","","","1.274","","","","has coordinates,has disorder","201007","2020-10-21","18:00:00",""
"7229191","4.9992","0.0004","7.3893","0.0007","8.8313","0.0008","72.451","0.006","78.656","0.005","79.41","0.006","302.26","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Cl N3 -","- C4 H6 Cl N3 -","- C8 H12 Cl2 N6 -","2","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0818","0.0631","","","0.2025","0.2115","","","","","","1.179","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229192","5.1052","0.0008","10.2491","0.0015","12.6953","0.0018","90","","93.053","0.002","90","","663.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 N2 -","- C12 H12 Br2 N2 -","- C24 H24 Br4 N4 -","2","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0444","0.0367","","","0.0993","0.105","","","","","","1.057","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229193","21.9269","0.001","23.8222","0.0011","8.202","0.0002","90","","96.821","0.003","90","","4254","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N5 O9 Zn2 -","- C37 H22 N4 O8 Zn2 -","- C148 H88 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","x-ray","0.71073","MoKα","","0.0943","0.0677","","","0.1641","0.181","","","","","","1.03","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229194","10.04","0.006","29.598","0.017","17.153","0.011","90","","102.762","0.005","90","","4971","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 N9 O9 Zn2 -","- C45.5 H35.5 N8.5 O8.5 Zn2 -","- C182 H142 N34 O34 Zn8 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.6889","Synchrotron","","0.0831","0.074","","","0.1986","0.2075","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229195","21.757","0.0004","21.757","0.0004","34.6535","0.0011","90","","90","","90","","16403.8","0.7","200","0.1","200","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C49 H50 N8 O12 Zn2 -","- C37 H22 N4 O8 Zn2 -","- C296 H176 N32 O64 Zn16 -","8","0.25","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","x-ray","1.54184","CuKα","","0.1381","0.1169","","","0.3989","0.4342","","","","","","1.704","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229196","10.144","0.0001","13.976","0.0001","16.192","0.0002","90","","90","","90","","2295.58","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N5 O5 Zn -","- C24 H21 N5 O5 Zn -","- C96 H84 N20 O20 Zn4 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0317","0.0282","","","0.0664","0.0679","","","","","","1.052","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229197","8.192","0.0002","16.433","0.0004","16.444","0.0004","93.714","0.001","99.822","0.001","99.807","0.001","2139.3","0.09","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29 N5 O9 Zn2 -","- C37 H21 N4 O8 Zn2 -","- C74 H42 N8 O16 Zn4 -","2","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0941","0.0488","","","0.1306","0.1493","","","","","","1.041","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229198","18.532","0.002","20.3541","0.0015","20.561","0.002","116.099","0.008","112.218","0.01","97.506","0.007","6022.3","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H92 N20 O20 Zn4 -","- C100 H64 N16 O16 Zn4 -","- C200 H128 N32 O32 Zn8 -","2","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.2341","0.1463","","","0.3576","0.4158","","","","","","0.978","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229199","16.552","0.0002","18.864","0.0002","29.433","0.0003","90","","90","","90","","9190.07","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H84 N20 O20 Zn4 -","- C96 H84 N20 O20 Zn4 -","- C384 H336 N80 O80 Zn16 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0651","0.0389","","","0.0715","0.0782","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229200","17.3078","0.0006","9.5123","0.0003","13.6988","0.0005","90","","107.821","0.004","90","","2147.11","0.14","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br8 N2 Te -","- C10 H12 Br8 N2 Te -","- C40 H48 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.0443","0.0457","","","","","","1.06","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229201","9.46401","0.00016","9.46401","0.00016","25.7682","0.0007","90","","90","","90","","2307.99","0.08","130","2","130","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0337","0.0346","","","","","","1.054","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229202","9.17057","0.00017","15.7027","0.0003","17.5191","0.0004","76.7399","0.0017","79.5106","0.0017","74.9556","0.0016","2351.14","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","2","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0444","0.0291","","","0.0541","0.0594","","","","","","1.055","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229203","14.9365","0.0009","11.352","0.0006","15.1862","0.001","90","","113.086","0.008","90","","2368.7","0.3","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0257","0.021","","","0.0446","0.0461","","","","","","1.065","","","","has coordinates,has disorder","201010","2020-10-21","18:00:00",""
"7229204","8.5539","0.0004","16.2583","0.0008","7.3347","0.0003","90","","93.656","0.004","90","","1017.97","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br6 N2 Te -","- C12 H16 Br6 N2 Te -","- C24 H32 Br12 N4 Te2 -","2","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0344","0.0286","","","0.0605","0.0623","","","","","","1.076","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229212","14.2627","0.0004","13.4623","0.0005","9.8745","0.0007","90","","90","","90","","1895.99","0.16","210","2","210","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(μ-formato)-(μ-hydroxo)-2-trifluoromethyl-imidazolate-zinc(II) dimethylformamide hemisolvate","","- C6 H6.5 F3 N2.5 O2 Zn -","- C6 H6.5 F3 N2.5 O2 Zn -","- C48 H52 F24 N20 O16 Zn8 -","8","1","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.0274","0.024","","","0.065","0.067","","","","","","1.01","","","","has coordinates,has disorder","201094","2020-10-21","18:00:00",""
"7229213","17.0786","0.0006","17.0786","0.0006","17.0786","0.0006","90","","90","","90","","4981.5","0.3","180","2","180","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","(2-methyl-imidazolate)-(2-trifluoromethyl-imidazolate)-zinc(II) dimethylformamide solvate","","- C18 H24.5 F4.5 N8 O2 Zn1.5 -","- C12 H6 F2.25 N6 Zn1.5 -","- C96 H48 F18 N48 Zn12 -","8","0.166667","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.045","0.0383","","","0.0976","0.1003","","","","","","1.143","","","","has coordinates","201094","2020-10-21","18:00:00",""
"7229214","18.519","0.0003","25.5918","0.0005","17.2622","0.0003","90","","90","","90","","8181.2","0.3","123","2","123","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C88 H60 Cl8 N12 O1.44 Zn4 -","- C88 H60 Cl8 N12 O1.444 Zn4 -","- C352 H240 Cl32 N48 O5.776 Zn16 -","4","0.25","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0342","0.0332","","","0.0928","0.0941","","","","","","1.047","","","","has coordinates,has disorder","201095","2020-10-21","18:00:00",""
"7229215","23.5121","0.0008","7.7408","0.0003","15.3224","0.0005","90","","118.548","0.003","90","","2449.65","0.16","156","2","156","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H50 F7 N8 O5 P Zn -","- C50 H50 F7 N8 O5 P Zn -","- C100 H100 F14 N16 O10 P2 Zn2 -","2","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0291","0.029","","","0.0796","0.0797","","","","","","1.061","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229216","9.06863","0.00011","15.7253","0.00018","13.52583","0.00016","90","","101.215","0.0012","90","","1892.04","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","1","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0394","0.038","","","0.1025","0.1069","","","","","","1.065","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229217","26.5001","0.0006","7.7383","0.0001","27.4332","0.0007","90","","112.066","0.003","90","","5213.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 F6 N6 Si Zn -","- C44 H30 F6 N6 Si Zn -","- C176 H120 F24 N24 Si4 Zn4 -","4","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0571","0.053","","","0.1627","0.165","","","","","","1.088","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229218","4.8911","0.0006","10.0848","0.0012","11.8785","0.0013","95.772","0.009","96.25","0.009","103.656","0.01","561.11","0.12","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H13 Br Ca0.5 N3 O4 -","- C6 H13 Br Ca0.5 N3 O4 -","- C12 H26 Br2 Ca N6 O8 -","2","1","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.1304","0.0938","","","0.2379","0.2683","","","","","","1.071","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229219","20.9187","0.0019","5.1257","0.0005","11.118","0.0007","90","","115.051","0.006","90","","1079.97","0.17","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Br2 Ca N6 O7 -","- C12 H24 Br2 Ca N6 O7 -","- C24 H48 Br4 Ca2 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0739","0.0499","","","0.1","0.1184","","","","","","1.028","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229220","4.9123","0.0006","20.333","0.002","23.505","0.003","90","","90","","90","","2347.7","0.5","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Ca I2 N6 O7 -","- C12 H24 Ca I2 N6 O7 -","- C48 H96 Ca4 I8 N24 O28 -","4","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","","0.71073","MoKα","","0.1619","0.0698","","","0.0831","0.1058","","","","","","1.038","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229221","4.90323","0.00009","10.54663","0.00002","11.9651","0.0003","94.539","0.00013","95.9258","0.00013","102.703","0.0013","597.058","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Ca I2 N6 O8 -","- C12 H18 Ca0.5 I2 N6 O8 -","- C12 H18 Ca0.5 I2 N6 O8 -","1","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0331","1.55828","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229222","20.6509","0.0011","5.1087","0.0003","10.788","0.0005","90","","114.287","0.004","90","","1037.4","0.1","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Ca Cl2 N6 O7 -","- C12 H24 Ca Cl2 N6 O7 -","- C24 H48 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0527","0.039","","","0.0986","0.1306","","","","","","0.745","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229223","18.8783","0.0004","5.09053","0.00011","10.7999","0.0003","90","","97.8572","0.0013","90","","1028.13","0.04","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Ca Cl2 N6 O7 -","- C12 H18 Ca Cl2 N6 O7 -","- C24 H36 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0257","3.53882","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229224","16.7254","0.0003","4.87733","0.00007","14.9091","0.0002","90","","97.3744","0.0009","90","","1206.15","0.03","298","","298","","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C12 H26 Ca I2 N6 O8 -","- C12 H18 Ca I2 N6 O8 -","- C24 H36 Ca2 I4 N12 O16 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0277","1.44467","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229231","33.5891","0.0007","33.5891","0.0007","35.8422","0.0009","90","","90","","90","","40438.2","1.6","173","2","173","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","calixsalen","","","- C84 H104 N12 O17.5 -","- C84 H104 N12 O17.5 -","- C1344 H1664 N192 O280 -","16","1","","Petryk, Małgorzata; Janiak, Agnieszka; Kwit, Marcin","Unexpected formation of a tubular architecture by optically active pure organic calixsalen","CrystEngComm","2017","","","","","10.1039/C7CE01529A","","","1.54178","CuKα","","0.0647","0.0588","","","0.1695","0.1761","","","","","","1.047","","","","has coordinates,has disorder","201248","2020-10-21","18:00:00",""
"7229247","20.4135","0.0008","8.9845","0.0004","23.0411","0.0009","90","","92.499","0.003","90","","4221.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Zinc diphosphonate ethelenediamine","","","- C6 H18 N2 O15 P4 S0 Zn3 -","- C6 H18 N2 O15 P4 Zn3 -","- C48 H144 N16 O120 P32 Zn24 -","8","1","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0859","0.0732","","","0.1702","0.1805","","","","","","1.051","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229248","18.117","0.0004","9.8448","0.0003","10.7798","0.0003","90","","90","","90","","1922.67","0.09","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,3-diaminopropane","","","- C7 H20 N2 O14 P4 Zn3 -","- C7 H20 N2 O14 P4 Zn3 -","- C28 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0361","0.0271","","","0.0768","0.0978","","","","","","1.041","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229249","10.2729","0.0003","18.1781","0.0005","10.7119","0.0003","90","","90","","90","","2000.36","0.1","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","Zinc diphosphonate dabco","","","- C10 H20 N2 O14 P4 Zn3 -","- C10 H20 N2 O14 P4 Zn3 -","- C40 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0308","0.0285","","","0.0794","0.0929","","","","","","1.152","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229250","18.1736","0.0007","9.9376","0.0006","10.3543","0.0004","90","","90","","90","","1870.01","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,2 diaminopropane","","","- C7 H17 N3 O14 P4 Zn3 -","- C7 H17 N3 O14 P4 Zn3 -","- C28 H68 N12 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0663","0.0503","","","0.1075","0.1147","","","","","","1.056","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229251","20.3473","0.0005","9.1752","0.0002","23.2486","0.0005","90","","91.254","0.001","90","","4339.25","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinc diphosphonate diethelenetriamine","","","- C8 H22 N3 O14 P4 Zn3 -","- C8 H22 N3 O14 P4 Zn3 -","- C64 H176 N24 O112 P32 Zn24 -","8","1","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0407","0.0365","","","0.1078","0.1104","","","","","","1.076","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229259","14.3729","0.0013","8.8781","0.0006","10.6958","0.0008","90","","103.755","0.008","90","","1325.69","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.0397","0.0329","","","0.0856","0.09","","","","","","1.045","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229260","8.8733","0.0006","6.4879","0.0002","10.8539","0.0009","90","","105.551","0.008","90","","601.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.04","0.0312","","","0.06","0.0675","","","","","","1.057","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229261","10.8318","0.0005","6.4924","0.0003","17.1002","0.0007","90","","90","","90","","1202.56","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.048","0.0464","","","0.1118","0.1144","","","","","","1.084","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229262","9.5028","0.0003","10.7121","0.0004","11.9937","0.0004","90","","90","","90","","1220.9","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.74 H6.84 Cu2 N8 S2 -","- C4.728 H6.82 Cu2 N8 S2 -","- C18.912 H27.28 Cu8 N32 S8 -","4","0.5","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.71073","MoKα","","0.0927","0.0875","","","0.2005","0.2028","","","","","","1.247","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229265","4.497","0.0004","15.1154","0.0013","9.5745","0.0008","90","","92.781","0.002","90","","650.05","0.1","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cd2 O12 Se4 Sr2 -","- Cd2 O12 Se4 Sr2 -","- Cd4 O24 Se8 Sr4 -","2","0.5","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0433","0.0428","","","0.1161","0.1166","","","","","","1.176","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229266","8.2921","0.0018","8.4207","0.0019","9.514","0.002","86.019","0.005","64.762","0.004","78.498","0.005","588.7","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- Cd3 Mg O12 Se4 -","- Cd3 Mg O12 Se4 -","- Cd6 Mg2 O24 Se8 -","2","1","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0556","0.0487","","","0.1348","0.1412","","","","","","1.056","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229267","16.5983","0.0018","5.4518","0.0006","7.1154","0.0008","90","","90","","90","","643.88","0.12","273","","273","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd2 O12 Se4 -","- Ba2 Cd2 O12 Se4 -","- Ba4 Cd4 O24 Se8 -","2","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0295","0.0294","","","0.0809","0.081","","","","","","1.135","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229268","8.4611","0.0005","12.1273","0.0007","9.4968","0.0005","90","","108.251","0.001","90","","925.45","0.09","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca2.87 Cd9.13 O36 Se12 -","- Ca2.864 Cd9.136 O36 Se12 -","- Ca2.864 Cd9.136 O36 Se12 -","1","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0174","0.0172","","","0.04","0.0401","","","","","","1.092","","","","has coordinates,has disorder","201573","2020-10-21","18:00:00",""
"7229269","8.7484","0.0007","10.2091","0.0013","14.7961","0.0011","80.673","0.008","89.866","0.006","70.745","0.009","1229.2","0.2","173","10","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23.07 N4 O6.53 Zn -","- C28 H23.537 N4 O6.537 Zn -","- C56 H47.074 N8 O13.074 Zn2 -","2","1","","Zou, Rui; Zhang, Jie; Hu, Shu-Zhi; Hu, Fei; Zhang, Haoyu; Fu, Zhiyong","Reversible mechanochromic and thermochromic luminescent switching via the hydrogen-bond-directed assemblies in a zinc coordination complex","CrystEngComm","2017","","","","","10.1039/C7CE01511A","","","0.71073","MoKα","","0.0607","0.0467","","","0.106","0.1253","","","","","","1.056","","","","has coordinates","201670","2020-10-21","18:00:00",""
"7229270","9.9822","0.0003","14.2046","0.0004","18.0644","0.0005","88.116","0.002","85.266","0.002","73.802","0.001","2451.21","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Co2 N10 O14 -","- C54 H38 Co2 N10 O14 -","- C108 H76 Co4 N20 O28 -","2","1","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.1035","0.0733","","","0.2228","0.2419","","","","","","1.059","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229271","9.8268","0.0009","13.2214","0.0012","14.1027","0.0013","90.29","0.002","104.858","0.002","108.809","0.002","1668.7","0.3","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 Co2 N14 O17 -","- C72 H64 Co2 N14 O17 -","- C72 H64 Co2 N14 O17 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0447","0.0386","","","0.1138","0.1193","","","","","","1.004","","","","has coordinates,has disorder","201671","2020-10-21","18:00:00",""
"7229272","10.8519","0.0004","12.0078","0.0004","16.0618","0.0006","72.122","0.002","88.959","0.002","71.729","0.002","1884.41","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H62 Co3 N12 O18 -","- C86 H62 Co3 N12 O18 -","- C86 H62 Co3 N12 O18 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0346","0.0307","","","0.0935","0.0964","","","","","","1.055","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229273","11.5476","0.0014","14.6312","0.0019","15.3494","0.0018","96.828","0.003","97.036","0.003","108.059","0.002","2413","0.5","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H92 Co3 N16 O26 -","- C104 H92 Co3 N16 O26 -","- C104 H92 Co3 N16 O26 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0776","0.0484","","","0.1279","0.1413","","","","","","0.991","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229274","14.315","0.002","12.4647","0.0017","18.515","0.003","90","","109.826","0.002","90","","3107.9","0.8","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Co N4 O9 -","- C33 H30 Co N4 O9 -","- C132 H120 Co4 N16 O36 -","4","1","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0482","0.0398","","","0.1146","0.1215","","","","","","1.029","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229275","9.9954","0.0014","16.749","0.002","15.358","0.002","90","","107.444","0.002","90","","2452.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.89 H21.07 N2.3 O6.5 Zn -","- C17.879 H21.465 N2.293 O6.5 Zn -","- C71.516 H85.86 N9.172 O26 Zn4 -","4","2","","Liu, Jian-Qiang; Kumar, Abhinav; Li, Baohong; Prasad, Rajendra; Batten, Stuart R.; Wu, Jian; Jin, Juncheng; He, Yongxiang","A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01341H","","","0.71073","MoKα","","0.1166","0.0629","","","0.1406","0.168","","","","","","0.951","","","","has coordinates,has disorder","201672","2020-10-21","18:00:00",""
"7229276","9.868","0.003","9.903","0.004","12.895","0.004","87.003","0.006","72.541","0.006","73.377","0.006","1151.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Eu N4 O6 -","- C24 H17 Eu N4 O6 -","- C48 H34 Eu2 N8 O12 -","2","1","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0564","0.0432","","","0.088","0.0946","","","","","","0.981","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229277","9.8401","0.0015","10.4399","0.0016","13.681","0.002","92.681","0.002","110.976","0.002","109.933","0.002","1210.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Eu2 N8 O12 -","- C50 H42 Eu2 N8 O12 -","- C50 H42 Eu2 N8 O12 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0383","0.033","","","0.0804","0.0843","","","","","","1.064","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229278","9.78","0.002","10.418","0.002","13.614","0.004","73.167","0.006","68.983","0.004","69.942","0.004","1194.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N8 O12 Tb2 -","- C50 H42 N8 O12 Tb2 -","- C50 H42 N8 O12 Tb2 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0893","0.0544","","","0.1037","0.1194","","","","","","0.926","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229279","9.8152","0.0019","10.379","0.002","13.594","0.003","73.302","0.003","69.411","0.003","70.576","0.003","1199.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Dy2 N8 O12 -","- C50 H42 Dy2 N8 O12 -","- C50 H42 Dy2 N8 O12 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0539","0.0406","","","0.0882","0.0957","","","","","","0.998","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229280","9.8132","0.0017","10.4297","0.0019","13.608","0.002","92.386","0.003","110.825","0.002","110.486","0.003","1197.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N8 O12 Sm2 -","- C50 H42 N8 O12 Sm2 -","- C50 H42 N8 O12 Sm2 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0356","0.0328","","","0.0836","0.0865","","","","","","1.048","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229281","9.892","0.004","9.957","0.004","12.798","0.005","73.081","0.007","86.82","0.007","73.951","0.007","1158.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N4 O6 Sm -","- C24 H17 N4 O6 Sm -","- C48 H34 N8 O12 Sm2 -","2","1","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0517","0.0387","","","0.0822","0.0893","","","","","","1.032","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229303","6.967","0.0014","10.922","0.002","15.965","0.003","89.68","0.03","87.94","0.03","78.03","0.03","1187.6","0.4","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","Bis-4-methoxy triphenylamine-dicyanophenyl","","- C54 H50 N4 O4 S2 -","- C54 H50 N4 O4 S2 -","- C54 H50 N4 O4 S2 -","1","0.5","","Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip","Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing","CrystEngComm","2017","","","","","10.1039/C7CE01538K","","","0.61","synchrotron","","0.1209","0.055","","","0.1352","0.1586","","","","","","0.854","","","","has coordinates,has disorder","201871","2020-10-21","18:00:00",""
"7229304","9.743","0.0019","8.591","0.0017","48.988","0.01","90","","93.39","0.03","90","","4093.2","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-3-methoxy triphenylamine-dicyanophenyl","","- C107 H84 N8 O4 -","- C107 H84 N8 O4 -","- C214 H168 N16 O8 -","2","0.5","","Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip","Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing","CrystEngComm","2017","","","","","10.1039/C7CE01538K","","","0.63","synchrotron","","0.0602","0.0482","","","0.1334","0.1415","","","","","","1.073","","","","has coordinates,has disorder","201871","2020-10-21","18:00:00",""
"7229307","10.106","0.002","14.511","0.003","12.224","0.002","90","","99.64","0.03","90","","1767.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-propoxybenzaldehyde","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.0617","0.049","","","0.1319","0.1374","","","","","","1.071","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229308","9.937","0.002","9.974","0.002","19.734","0.004","90","","92.93","0.03","90","","1953.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-ppentyloxybenzaldehyde","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.0736","0.0503","","","0.1328","0.1435","","","","","","1.015","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229309","9.419","0.0019","10.485","0.002","19.426","0.004","90","","91.6","0.03","90","","1917.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-butyloxybenzaldehyde","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.07","0.051","","","0.1432","0.1523","","","","","","1.083","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229310","11.609","0.002","9.118","0.0018","20.524","0.004","90","","101.51","0.03","90","","2128.8","0.7","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(5-(diphenylamino)-2-formylphenoxy)heptanenitrile","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.1673","0.0666","","","0.1723","0.2277","","","","","","0.915","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229311","10.565","0.002","9.822","0.002","20.676","0.004","90","","92.89","0.03","90","","2142.8","0.7","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-hexyloxybenzaldehyde","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.1575","0.0665","","","0.1774","0.2149","","","","","","0.824","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229312","9.254","0.0019","10.441","0.002","16.144","0.003","90","","97.15","0.03","90","","1547.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-methoxybenzaldehyde","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.60999","synchrotron","","0.0442","0.0396","","","0.1099","0.1135","","","","","","1.058","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229313","7.737","0.0015","15.936","0.003","14.484","0.003","90","","103.11","0.03","90","","1739.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-ethoxybenzaldehyde","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.0804","0.0504","","","0.1316","0.1453","","","","","","0.983","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229314","11.7743","0.0005","13.6012","0.0006","17.7276","0.0007","110.01","0.001","90.392","0.001","111.56","0.001","2452.24","0.18","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H38 N4 O40 Zn7 -","- C60 H38.414 N4 O40 Zn7 -","- C60 H38.414 N4 O40 Zn7 -","1","0.5","","zhang, dechun; li, xia","A Zn(II) Complex with Large Channels based on 3'-Nitro-Biphenyl-3,5,4'-Tricarboxylic Acid: Synthesis, Crystal Structure, Fluorescent Sensing of ATP, ADP, GTP, and UTP in Aqueous Solution and Drug Delivery","CrystEngComm","2017","","","","","10.1039/C7CE01618B","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","201936","2020-10-21","18:00:00",""
"7229319","14.6914","0.0005","8.1203","0.0003","16.3822","0.0005","90","","108.381","0.001","90","","1854.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 Cl4 O2 S3 -","- C18 H6 Cl4 O2 S3 -","- C72 H24 Cl16 O8 S12 -","4","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0404","0.0389","","","0.1043","0.1057","","","","","","1.065","","","","has coordinates","202010","2020-10-21","18:00:00",""
"7229320","11.0658","0.0003","11.3445","0.0003","11.9815","0.0003","67.768","0.001","73.706","0.001","88.504","0.001","1330.94","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H18 N4 S3 -","- C31 H18 N4 S3 -","- C62 H36 N8 S6 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0782","0.0651","","","0.163","0.1763","","","","","","1.049","","","","has coordinates","202010","2020-10-21","18:00:00",""
"7229321","18.6662","0.0005","15.1927","0.0004","9.3307","0.0003","90","","90.403","0.001","90","","2646.03","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 F2 O S3 -","- C15 H6 F2 O S3 -","- C120 H48 F16 O8 S24 -","8","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0326","0.0318","","","0.0832","0.084","","","","","","1.081","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229322","8.827","0.0003","10.6251","0.0004","16.8178","0.0007","90","","94.973","0.002","90","","1571.37","0.1","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H12 F4 N4 S6 -","- C36 H12 F4 N4 S6 -","- C72 H24 F8 N8 S12 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0899","0.0795","","","0.1869","0.1959","","","","","","1.079","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229323","10.11","0.005","10.271","0.006","15.848","0.009","74.156","0.005","74.086","0.004","83.082","0.006","1520.6","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N4 Ni O6 -","- C35 H33 N4 Ni O6 -","- C70 H66 N8 Ni2 O12 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71075","MoKα","","0.1255","0.0592","","","0.1355","0.1613","","","","","","0.945","","","","has coordinates,has disorder","202011","2020-10-21","18:00:00",""
"7229324","9.994","0.011","12.497","0.014","16.113","0.016","69.536","0.014","74.781","0.011","67.507","0.012","1723","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Co2 N4 O12 -","- C36 H32 Co2 N4 O12 -","- C72 H64 Co4 N8 O24 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71075","MoKα","","0.1568","0.0511","","","0.1083","0.1483","","","","","","0.892","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229325","7.3387","0.0004","13.9241","0.0008","22.3669","0.0012","90","","96.06","0.004","90","","2272.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N4 O4 Zn -","- C25 H19 N4 O4 Zn -","- C100 H76 N16 O16 Zn4 -","4","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0964","0.0452","","","0.0781","0.0927","","","","","","1.006","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229326","10.141","0.003","10.279","0.003","15.923","0.005","74.507","0.003","74.689","0.003","83.854","0.003","1541.5","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 Co N4 O4 -","- C29 H19 Co N4 O4 -","- C58 H38 Co2 N8 O8 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0994","0.0529","","","0.1175","0.1311","","","","","","0.924","","","","has coordinates,has disorder","202011","2020-10-21","18:00:00",""
"7229327","9.93","0.02","10.54","0.02","12.84","0.03","94.83","0.02","109.147","0.017","91.194","0.019","1263","5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Co N4 O4 -","- C23 H15 Co N4 O4 -","- C46 H30 Co2 N8 O8 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0905","0.0452","","","0.0853","0.0978","","","","","","0.963","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229328","7.1405","0.0003","15.6868","0.0006","16.3204","0.0006","74.238","0.002","86.018","0.002","83.354","0.002","1746.13","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H15 N3 -","- C24 H15 N3 -","- C96 H60 N12 -","4","2","","Ghosh, Pritam; Paul, Suparnal; Banerjee, Priyabrata","How explosive TNP interacts with small tritopic receptor: a combined crystallographic and thermodynamic approach","CrystEngComm","2017","","","","","10.1039/C7CE01494E","","","0.71073","MoKα","","0.0834","0.0559","","","0.1329","0.1556","","","","","","1.05","","","","has coordinates","202012","2020-10-21","18:00:00",""
"7229329","7.0879","0.0006","8.6017","0.0007","23.632","0.002","82.192","0.006","85.543","0.006","81.563","0.006","1409.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N7 O7 -","- C32 H21 N7 O7 -","- C64 H42 N14 O14 -","2","1","","Ghosh, Pritam; Paul, Suparnal; Banerjee, Priyabrata","How explosive TNP interacts with small tritopic receptor: a combined crystallographic and thermodynamic approach","CrystEngComm","2017","","","","","10.1039/C7CE01494E","","","0.71073","MoKα","","0.1703","0.062","","","0.1571","0.2227","","","","","","1.027","","","","has coordinates","202012","2020-10-21","18:00:00",""
"7229344","3.8726","0.0001","10.7671","0.0004","16.5188","0.0006","90.217","0.003","93.186","0.003","98.738","0.002","679.68","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","Bis(4-bromophenyl)fumaronitrile","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.","Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth","CrystEngComm","2017","","","","","10.1039/C7CE01543G","","","0.71073","MoKα","","0.042","0.0365","","","0.0902","0.0918","","","","","","1.209","","","","has coordinates","202087","2020-10-21","18:00:00",""
"7229345","7.8318","0.0002","9.3958","0.0003","10.5371","0.0003","87.814","0.002","70.834","0.001","74.15","0.002","703.43","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(4-bromophenyl)fumaronitrile","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.","Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth","CrystEngComm","2017","","","","","10.1039/C7CE01543G","","","0.71073","MoKα","","0.0188","0.0161","","","0.0404","0.0412","","","","","","1.065","","","","has coordinates","202087","2020-10-21","18:00:00",""
"7229346","15.9701","0.001","17.8188","0.0008","25.3977","0.0011","86.261","0.004","87.234","0.004","63.893","0.005","6474.6","0.6","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","Spiro-4S","","- C157 H168 O10 S4 -","- C157 H168 O10 S4 -","- C314 H336 O20 S8 -","2","1","","Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin","Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes","CrystEngComm","2017","","","","","10.1039/C7CE01407D","","x-ray","0.71073","MoKα","","0.1912","0.1217","","","0.3276","0.3935","","","","","","1.206","","","","has coordinates,has disorder","202088","2020-10-21","18:00:00",""
"7229347","31.7737","0.0008","18.4299","0.0006","34.794","0.0006","90","","101.028","0.002","90","","19998.6","0.9","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C133 H104 Cl32 O8 S4 -","- C133 H104 Cl32 O8 S4 -","- C532 H416 Cl128 O32 S16 -","4","0.5","","Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin","Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes","CrystEngComm","2017","","","","","10.1039/C7CE01407D","","x-ray","0.71073","MoKα","","0.1836","0.1438","","","0.4203","0.4561","","","","","","1.612","","","","has coordinates","202088","2020-10-21","18:00:00",""
"7229348","9.3368","0.0004","13.3286","0.0006","14.8884","0.0006","90","","107.384","0.001","90","","1768.18","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SMT-DMSO","Sulfamethazine-DMSO Solvate","","- C14 H20 N4 O3 S2 -","- C14 H20 N4 O3 S2 -","- C56 H80 N16 O12 S8 -","4","1","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.0517","0.0461","","","0.1295","0.1341","","","","","","1.079","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229349","9.3986","0.0006","13.803","0.0009","14.5682","0.001","90","","71.354","0.002","90","","1790.7","0.2","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SMT-DMF","Sulfamethazine-DMF Solvate","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C60 H84 N20 O12 S4 -","4","1","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.0566","0.0467","","","0.1334","0.1453","","","","","","1.064","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229350","31.336","0.004","8.0711","0.001","15.218","0.002","90","","90","","90","","3848.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","SMT-DMA","Sulfamethazine -DMA Solvate","","- C16 H23 N5 O3 S -","- C16 H23 N5 O3 S -","- C128 H184 N40 O24 S8 -","8","2","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.1661","0.0683","","","0.1113","0.1419","","","","","","1.001","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229363","20.889","0.004","21.431","0.004","13.025","0.003","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H30 Cd N2 O11 -","- C31 H30 Cd N2 O11 -","- C248 H240 Cd8 N16 O88 -","8","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0205","0.0188","","","0.0481","0.049","","","","","","1.059","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229364","12.784","0.004","13.024","0.004","16.815","0.006","90","","91","0.02","90","","2799.3","1.6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C28 H30 Cd N2 O13 -","- C28 H24 Cd N2 O13 -","- C112 H96 Cd4 N8 O52 -","4","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0412","0.0359","","","0.1017","0.1089","","","","","","1.078","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229366","3.6433","0.0008","14.063","0.003","14.147","0.003","101.081","0.002","90.448","0.002","94.459","0.002","709","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H2 F20 O4 Pt -","- C30 H2 F20 O4 Pt -","- C30 H2 F20 O4 Pt -","1","0.5","","Hori, Akiko; Gonda, Ryu; Rzeznicka, Izabela I.","Enhanced adsorption of small gas molecules in metal (Cu2+, Pd2+, Pt2+) complexes induced by ligand fluorination","CrystEngComm","2017","","","","","10.1039/C7CE01413A","","","0.71073","MoKα","","0.0163","0.0163","","","0.0393","0.0393","","","","","","1.07","","","","has coordinates","202165","2020-10-21","18:00:00",""
"7229367","7.4372","0.0006","8.2866","0.0005","10.62","0.0013","98.674","0.007","107.377","0.014","90.655","0.006","616.38","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","1","0.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.1076","0.0491","","","0.102","0.1255","","","","1.54","1.54","1.42","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229368","11.955","0.002","6.2885","0.0004","16.03","0.002","90","","91.726","0.012","90","","1204.6","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","- C40 H60 Li4 N4 O24 -","2","0.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.129","0.049","","","0.0936","0.1298","","","","1.41","1.41","1.4","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229369","13.6558","0.0019","15.903","0.003","16.6894","0.001","94.295","0.011","113.23","0.01","110.377","0.011","3025.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.6 Mg N2 O12.8 -","- C20 H31.6 Mg N2 O12.8 -","- C100 H158 Mg5 N10 O64 -","5","2.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.1777","0.0666","","","0.1183","0.1656","","","","1.72","1.72","1.61","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229372","14.1335","0.0008","7.9549","0.0005","20.8717","0.0014","90","","108.331","0.001","90","","2227.5","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N12 O13 Zn3 -","- C14 H6 N12 O13 Zn3 -","- C56 H24 N48 O52 Zn12 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0268","0.0245","","","0.0671","0.0682","","","","","","1.063","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229373","10.243","0.013","10.444","0.013","11.595","0.014","113.73","0.04","102.22","0.04","104.23","0.04","1031","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu3 N12 O13 -","- C14 H4 Cu3 N12 O12.5 -","- C28 H8 Cu6 N24 O25 -","2","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1544","0.0738","","","0.2425","0.2938","","","","","","0.994","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229374","13.523","0.01","11.003","0.008","9.244","0.008","90","","130.792","0.015","90","","1041.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 Ag2 N6 O5 -","- C7 H2 Ag2 N6 O5 -","- C28 H8 Ag8 N24 O20 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0622","0.049","","","0.1285","0.1363","","","","","","0.952","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229375","11.66","0.02","11.62","0.01","18.53","0.03","90","","102.62","0.04","90","","2450","6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C7 H6 Cu N6 O7 -","- C7 H2 Cu N6 O7 -","- C56 H16 Cu8 N48 O56 -","8","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1617","0.0784","","","0.3194","0.35","","","","","","1.096","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229376","7.83","0.03","8.07","0.04","12.27","0.07","92.9","0.3","108.43","0.16","90","0.2","735","6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H24 Cu N6 O16 -","- C7 H2 Cu N6 O8 -","- C14 H4 Cu2 N12 O16 -","2","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.2221","0.0705","","","0.4291","0.2747","","","","","","1.042","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229377","6.688","0.003","7.946","0.003","12.609","0.005","75.352","0.008","78.014","0.012","67.635","0.012","594.9","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N12 O16 -","- C14 H14 Co N12 O14 -","- C14 H14 Co N12 O14 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.111","0.0715","","","0.2602","0.2648","","","","","","1.046","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229378","7.8452","0.0003","11.966","0.005","12.7005","0.0004","107.692","0.001","91.398","0.001","101.232","0.001","1109.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H8 Ag8 N24 O21 -","- C28 H8 Ag8 N24 O21 -","- C28 H8 Ag8 N24 O21 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0329","0.0284","","","0.0751","0.0777","","","","","","1.085","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229379","6.6521","0.0008","16.2005","0.0016","11.0651","0.0016","90","","90","","90","","1192.5","0.3","296","2","296.15","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C7 H Ag2 N7 O7 -","- C7 H Ag2 N7 O7 -","- C28 H4 Ag8 N28 O28 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0548","0.0535","","","0.1452","0.1468","","","","","","1.067","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229380","13.08","0.016","13.109","0.016","16.91","0.02","109.17","0.019","92.97","0.02","118.923","0.016","2318","5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52.2 Cu7 N48 O57.1 -","- C56 H30 Cu7 N48 O46 -","- C56 H30 Cu7 N48 O46 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.2352","0.074","","","0.248","0.3221","","","","","","0.963","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229386","9.194","0.0018","10.227","0.002","10.861","0.002","83.01","0.03","80.83","0.03","81.89","0.03","992.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O6 Zn -","- C21 H20 N2 O6 Zn -","- C42 H40 N4 O12 Zn2 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.0314","0.0263","","","0.0679","0.0706","","","","","","1.041","","","","has coordinates,has disorder","202289","2020-10-21","18:00:00",""
"7229387","13.311","0.003","9.802","0.002","19.394","0.004","90","","102.96","0.03","90","","2466","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1359","0.0962","","","0.217","0.2412","","","","","","1.115","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229388","13.251","0.003","9.797","0.002","20.209","0.004","90","","107.23","0.03","90","","2505.8","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1081","0.0818","","","0.2074","0.2239","","","","","","1.108","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229389","9.1976","0.0018","10.206","0.002","10.783","0.002","86.48","0.03","85.66","0.03","79.8","0.03","992.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O6 Zn -","- C21 H20 N2 O6 Zn -","- C42 H40 N4 O12 Zn2 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.054","0.0446","","","0.1","0.1054","","","","","","1.092","","","","has coordinates,has disorder","202289","2020-10-21","18:00:00",""
"7229414","3.86","0.0008","11.43","0.002","25.629","0.005","90","","90","","90","","1130.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","daidzein","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","","Jia, Lina; Xu, Shijie; Liu, Shiyuan; Du, Shichao; Wu, Songgu; Gong, Junbo","Polymorphs of daidzein and intermolecular interaction effect on solution crystallization","CrystEngComm","2017","","","","","10.1039/C7CE01716B","","","0.71073","MoKα","","0.1011","0.0667","","","0.097","0.1053","","","","","","1.103","","","","has coordinates","202389","2020-10-21","18:00:00",""
"7229421","8.0456","0.0003","9.1098","0.0004","22.6193","0.0009","94.2433","0.0016","91.5013","0.0017","113.843","0.0016","1509.35","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","2","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.0613","0.049","","","0.131","0.1383","","","","","","1.077","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229422","15.72","0.005","4.0408","0.0012","23.577","0.007","90","","92.55","0.02","90","","1496.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.1648","0.0859","","","0.1946","0.2317","","","","","","0.851","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229423","7.3291","0.0003","13.5985","0.0005","14.7837","0.0005","90","","95.57","0.003","90","","1466.46","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.052","0.0416","","","0.1068","0.1153","","","","","","1.059","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229424","11.278","0.011","11.819","0.009","12.258","0.01","95.27","0.03","102.49","0.04","100.87","0.04","1552","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N O16 -","- C30 H33 N O16 -","- C60 H66 N2 O32 -","2","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.1583","0.0662","","","0.1439","0.1943","","","","","","0.912","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229425","11.2432","0.0015","21.829","0.003","25.837","0.004","98.929","0.002","92.438","0.002","94.814","0.002","6232.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 N6 O21 Zn4 -","- C66 H46 N6 O21 Zn4 -","- C132 H92 N12 O42 Zn8 -","2","1","","Duan, Jingui; Cao, Haifei; Wang, Suna; Wang, Yang; Lyu, Hongliang; Krishna, Rajamani; Lu, Zhiyong; Jin, Wanqin","Pre-design and synthesis of a five-fold interpenetrated pcu-type porous coordination polymer and its CO2/CO separation","CrystEngComm","2017","","","","","10.1039/C7CE01649B","","","0.71073","MoKα","","0.1468","0.0845","","","0.2171","0.2302","","","","","","1.029","","","","has coordinates","202439","2020-10-21","18:00:00",""
"7229426","11.7272","0.0003","14.522","0.0004","16.3087","0.0004","89.906","0.001","77.494","0.001","81.515","0.001","2680.51","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H94 Co3 N22 O4 S6 -","- C126 H94 Co3 N22 O4 S6 -","- C126 H94 Co3 N22 O4 S6 -","1","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0576","0.0452","","","0.1227","0.1322","","","","","","1.024","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229427","32.92","0.002","32.92","0.002","9.3598","0.0006","90","","90","","120","","8784.5","0.9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H22 N6 S2 Zn -","- C38 H22 N6 S2 Zn -","- C342 H198 N54 S18 Zn9 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0635","0.0382","","","0.0935","0.1027","","","","","","1.04","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229428","13.3185","0.0016","14.3273","0.0018","14.2071","0.0016","90","","116.045","0.003","90","","2435.7","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 Co N6 -","- C58 H34 Co N6 -","- C116 H68 Co2 N12 -","2","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1664","0.1342","","","0.375","0.3946","","","","","","3.044","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229429","16.87","0.0014","13.4875","0.001","21.6035","0.0017","90","","103.001","0.002","90","","4789.5","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Mn N6 -","- C62 H34 Mn N6 -","- C248 H136 Mn4 N24 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1444","0.0773","","","0.1945","0.2263","","","","","","1.154","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229430","13.2582","0.0005","14.327","0.0005","14.2378","0.0005","90","","115.828","0.001","90","","2434.31","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 N6 Zn -","- C58 H34 N6 Zn -","- C116 H68 N12 Zn2 -","2","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1502","0.126","","","0.3706","0.3807","","","","","","2.797","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229431","16.8011","0.0019","13.6677","0.0015","21.395","0.002","90","","103.239","0.004","90","","4782.4","0.9","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Co N6 -","- C62 H34 Co N6 -","- C248 H136 Co4 N24 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.101","0.0613","","","0.1469","0.1652","","","","","","1.03","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229432","16.8049","0.0016","13.645","0.0011","21.4125","0.0017","90","","103.288","0.004","90","","4778.5","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 N6 Zn -","- C62 H34 N6 Zn -","- C248 H136 N24 Zn4 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1342","0.0764","","","0.1517","0.1741","","","","","","1.055","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229433","32.7506","0.0017","32.7506","0.0017","9.1292","0.0004","90","","90","","120","","8480.1","0.7","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H24 Co N8 O4 -","- C42 H24 Co N8 O4 -","- C378 H216 Co9 N72 O36 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0669","0.042","","","0.0887","0.0983","","","","","","1.005","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229434","26.3576","0.0017","10.1239","0.0006","27.0731","0.0017","90","","101.522","0.002","90","","7078.7","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N8 O9 Zn3 -","- C50 H34 N8 O9 Zn3 -","- C200 H136 N32 O36 Zn12 -","4","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1014","0.0776","","","0.2064","0.2205","","","","","","1.102","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229435","16.9401","0.0009","13.6509","0.0007","17.6168","0.001","90","","101.995","0.002","90","","3984.9","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 Mn N8 O4 -","- C42 H24 Mn N8 O4 -","- C168 H96 Mn4 N32 O16 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0668","0.0514","","","0.117","0.1272","","","","","","1.008","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229436","3.5255","0.0006","20.563","0.004","13.666","0.002","90","","90","","90","","990.7","0.3","293","2","293","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- P Si -","- P Si -","- P24 Si24 -","24","3","","Li, Chunlong; Wang, Shanpeng; Zhang, Xixia; Jia, Ning; Yu, Tongtong; Zhu, Min; Liu, Duo; Tao, Xutang","Controllable Seeded Flux Growth and Optic-electric Properties of Bulk o-SiP Crystals","CrystEngComm","2017","","","","","10.1039/C7CE01676J","","","0.71073","MoKα","","0.0187","0.0185","","","0.0494","0.0496","","","","","","1.109","","","","has coordinates","202441","2020-10-21","18:00:00",""
"7229437","15.3011","0.001","18.6188","0.0012","27.6436","0.0018","90","","101.235","0.001","90","","7724.4","0.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H40 Cd5 O32 -","- C88 H40 Cd5 O32 -","- C176 H80 Cd10 O64 -","2","0.5","","Liu, Jian-Qiang; Lu, Lu; Wu, Jian; Li, Baohong; SINGH, AMITA; Kumar, Abhinav; Wang, Jun; Batten, Stuart R.","An uncommon 3D 3,3,4,8-c Cd(II) metal-organic framework for highly efficient luminescent sensing and organic dye adsorption: experimental and theoretical insight","CrystEngComm","2017","","","","","10.1039/C7CE01638G","","","0.71073","MoKα","","0.0991","0.0727","","","0.2264","0.2449","","","","","","1.083","","","","has coordinates","202456","2020-10-21","18:00:00",""
"7229438","5.9059","0.0003","6.3964","0.0003","8.9893","0.0004","90","","100.064","0.002","90","","334.36","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H10 Cl N O2 -","- C4 H10 Cl N O2 -","- C8 H20 Cl2 N2 O4 -","2","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0361","0.0288","","","0.0738","0.0781","","","","","","0.831","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229439","5.2863","0.0003","5.6138","0.0003","17.4559","0.0009","82.962","0.002","86.746","0.002","88.924","0.002","513.26","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 Cl N O6 -","- C6 H14 Cl N O6 -","- C12 H28 Cl2 N2 O12 -","2","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0331","0.0286","","","0.0705","0.0726","","","","","","1.051","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229440","4.8399","0.0005","8.3511","0.0007","23.167","0.002","90","","91.273","0.004","90","","936.14","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N2 O5 -","- C6 H14 N2 O5 -","- C24 H56 N8 O20 -","4","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.2061","0.1438","","","0.4324","0.4744","","","","","","1.804","","","","has coordinates,has disorder","202457","2020-10-21","18:00:00",""
"7229441","30.237","0.002","5.0915","0.0003","12.8358","0.0009","90","","93.163","0.002","90","","1973.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H15 I N O2.5 -","- C6 H15 I N O2.5 -","- C48 H120 I8 N8 O20 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0165","0.0132","","","0.0312","0.0324","","","","","","1.055","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229442","11.2287","0.0006","8.5257","0.0004","9.1381","0.0005","90","","101.51","0.002","90","","857.22","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl N O2 -","- C6 H14 Cl N O2 -","- C24 H56 Cl4 N4 O8 -","4","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.031","0.0244","","","0.0611","0.0638","","","","","","1.065","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229443","13.3778","0.0013","6.4784","0.0006","15.7657","0.0015","90","","90","","90","","1366.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Br N O2 -","- C4 H10 Br N O2 -","- C32 H80 Br8 N8 O16 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0196","0.0152","","","0.0352","0.0365","","","","","","1.044","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229444","29.6835","0.0016","4.9623","0.0003","12.5219","0.0006","90","","92.194","0.002","90","","1843.1","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H15 Br N O2.5 -","- C6 H15 Br N O2.5 -","- C48 H120 Br8 N8 O20 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0212","0.0166","","","0.0389","0.0407","","","","","","1.066","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229445","9.5887","0.0004","6.0522","0.0003","12.6513","0.0006","90","","90","","90","","734.19","0.06","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H10 I N O2 -","- C4 H10 I N O2 -","- C16 H40 I4 N4 O8 -","4","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0125","0.011","","","0.0249","0.0252","","","","","","1.135","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229446","10.2682","0.0003","6.2802","0.0003","24.5507","0.0009","90","","99.492","0.003","90","","1561.51","0.11","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,4'-di-tert-butyl-2,2'-bipyridyl","","","- C18 H24 N2 -","- C18 H24 N2 -","- C72 H96 N8 -","4","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1167","0.0677","","","0.1495","0.1824","","","","","","1.042","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229447","10.3157","0.0005","6.3341","0.0003","24.5593","0.0014","90","","99.775","0.005","90","","1581.42","0.14","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butyl-2,2'-bipyridyl","","- C18 H24 N2 -","- C18 H24 N2 -","- C72 H96 N8 -","4","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1232","0.0751","","","0.2126","0.2386","","","","","","1.013","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229448","8.951","0.003","11.491","0.005","11.91","0.003","98.84","0.03","104.58","0.06","93.42","0.04","1165.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Br2 N2 O4 -","- C24 H26 Br2 N2 O4 -","- C48 H52 Br4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1129","0.0685","","","0.1627","0.1757","","","","","","0.913","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229449","9.8323","0.0005","11.7934","0.0006","12.0531","0.0011","80.595","0.006","66.706","0.006","79.529","0.004","1255.83","0.16","345","2","345","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 I2 N2 O4 -","- C24 H26 I2 N2 O4 -","- C48 H52 I4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.0699","0.0353","","","0.0785","0.0951","","","","","","1.013","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229450","9.261","0.003","11.779","0.003","11.997","0.004","99.09","0.04","103.48","0.05","94.58","0.04","1247.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 I2 N2 O4 -","- C24 H26 I2 N2 O4 -","- C48 H52 I4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.0438","0.03","","","0.0701","0.0778","","","","","","1.027","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229451","12.3193","0.0007","6.5863","0.0003","10.3445","0.0006","90","","102.039","0.005","90","","820.88","0.08","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butyl-2,2'-bipyridyl","","- C18 H24 N2 -","- C18 H24 N2 -","- C36 H48 N4 -","2","0.5","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1026","0.0612","","","0.161","0.1929","","","","","","1.001","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229462","10.0292","0.0003","13.5724","0.0003","10.3629","0.0004","90","","104.7","0.003","90","","1364.43","0.08","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Mn N2 O5 -","- C13 H12 Mn N2 O5 -","- C52 H48 Mn4 N8 O20 -","4","1","","Lin, Rong-Guang; Li, Libo; Lin, Rui-Biao; Arman, Hadi; Chen, Banglin","Separation of C2/C1 hydrocarbons through gate-opening effect in a microporous metal‒organic framework","CrystEngComm","2017","","","","","10.1039/C7CE01766A","","x-ray","0.71073","MoKα","","0.064","0.0599","","","0.1374","0.1389","","","","","","1.074","","","","has coordinates,has disorder","202507","2020-10-21","18:00:00",""
"7229477","8.13783","0.00015","11.6634","0.0002","13.498","0.0003","93.4739","0.0009","96.731","0.001","103.882","0.0011","1229.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 S2 -","- C28 H22 N2 O6 S2 -","- C56 H44 N4 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1037","0.0703","","","0.1761","0.2066","","","","","","1.043","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229478","8.62524","0.00016","12.5088","0.0002","13.0025","0.0002","87.7507","0.0011","79.534","0.001","85.0219","0.0011","1373.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O6 S2 -","- C31 H27 N3 O6 S2 -","- C62 H54 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0683","0.0521","","","0.1435","0.1574","","","","","","1.072","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229479","11.4757","0.0005","12.2489","0.0005","12.7795","0.0006","85.3743","0.0019","76.109","0.0018","70.8493","0.0019","1647.3","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.2328","0.123","","","0.3184","0.4139","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229480","10.9957","0.0008","12.0694","0.0011","12.8047","0.0007","85.373","0.006","73.757","0.005","75.131","0.005","1576.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0926","0.0601","","","0.154","0.1973","","","","","","1.011","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229481","10.9459","0.0002","12.1089","0.0002","12.9588","0.0003","84.1094","0.0013","72.953","0.0013","74.0952","0.0013","1578.8","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0696","0.0568","","","0.1685","0.1753","","","","","","1.14","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229482","11.0418","0.0005","12.4363","0.0005","12.5998","0.0005","88.953","0.002","77.1337","0.0019","77.137","0.002","1643.53","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1382","0.0848","","","0.2278","0.2879","","","","","","1.102","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229483","11.6922","0.0002","20.8466","0.0004","13.0536","0.0002","90","","101.529","0.0007","90","","3117.53","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O6 S2 -","- C34 H34 N2 O6 S2 -","- C136 H136 N8 O24 S8 -","4","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0501","0.0439","","","0.1091","0.1125","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229484","8.70878","0.00016","12.5376","0.0002","12.6766","0.0002","86.7619","0.0009","79.087","0.0008","86.3097","0.0011","1354.89","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N3 O6 S2 -","- C30 H25 N3 O6 S2 -","- C60 H50 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0661","0.0514","","","0.1429","0.1506","","","","","","1.104","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229485","14.0762","0.0003","11.0705","0.0002","23.2945","0.0005","90","","92.1146","0.001","90","","3627.52","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 N4 O10 S4 -","- C78 H96 N4 O10 S4 -","- C156 H192 N8 O20 S8 -","2","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1221","0.087","","","0.2155","0.2324","","","","","","0.994","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229486","10.9203","0.0002","11.9997","0.0002","12.8965","0.0002","84.6483","0.001","73.4045","0.0009","75.8535","0.001","1569.95","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0499","0.0419","","","0.1131","0.1254","","","","","","1.098","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229487","11.2092","0.0004","12.181","0.0004","12.8326","0.0004","85.505","0.0017","74.8198","0.0018","73.1335","0.0018","1618.27","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1313","0.0966","","","0.27","0.3241","","","","","","1.097","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229488","10.9315","0.0002","12.0707","0.0002","12.7651","0.0002","84.8346","0.0007","72.9469","0.0007","75.4678","0.0007","1558.54","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H70 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0599","0.0473","","","0.1262","0.1341","","","","","","1.094","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229489","14.1225","0.0003","17.0279","0.0003","17.493","0.0003","81.2059","0.0011","69.2791","0.0011","72.4461","0.001","3746.3","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H93 Cl3 N4 O10 S4 -","- C77 H93 Cl3 N4 O10 S4 -","- C154 H186 Cl6 N8 O20 S8 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1338","0.0818","","","0.1783","0.2007","","","","","","0.825","","","","has coordinates,has disorder","228934","2020-10-21","18:00:00",""
"7229504","10.875","0.003","13.212","0.003","13.585","0.004","90","","101.227","0.003","90","","1914.5","0.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Co2 N4 O12 -","- C36 H50 Co2 N4 O12 -","- C72 H100 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.097","0.0759","","","0.2008","0.2199","","","","","","1.048","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229505","11.1974","0.0008","14.7981","0.001","12.0119","0.0008","90","","112.731","0.001","90","","1835.8","0.2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Cd2 N4 O11 -","- C35 H46 Cd2 N4 O11 -","- C70 H92 Cd4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0325","0.0288","","","0.0641","0.0675","","","","","","1.03","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229506","10.3191","0.0013","13.4103","0.0016","13.1239","0.0016","90","","93.368","0.002","90","","1813","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Co2 N4 O11 -","- C35 H46 Co2 N4 O11 -","- C70 H92 Co4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0549","0.0434","","","0.1093","0.1173","","","","","","1.037","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229507","11.653","0.006","13.074","0.006","13.802","0.007","90","","105.036","0.006","90","","2030.8","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Co2 N4 O12 -","- C37 H52 Co2 N4 O12 -","- C74 H104 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.1418","0.0881","","","0.2035","0.2365","","","","","","1.025","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229508","13.2458","0.001","10.4071","0.0008","19.9682","0.0015","90","","91.592","0.001","90","","2751.6","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H73 Cd2 N8 O17 -","- C52 H73 Cd2 N8 O17 -","- C104 H146 Cd4 N16 O34 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","x-ray","0.71073","MoKα","","0.0408","0.0366","","","0.0866","0.09","","","","","","1.054","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229509","21.9751","0.0019","7.663","0.0007","29.079","0.003","90","","102.209","0.002","90","","4786","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N2 O10 Zn -","- C24 H21 N2 O10 Zn -","- C192 H168 N16 O80 Zn8 -","8","1","","Lv, Sen; Wang, Yuan Ze; Zhang, Chong; Gu, Xu; Gong, Yun; Lin, Jianhua","Coordination polymer based perovskite device: matched energy levels and photocurrent enhancement in the absence or presence of methanol","CrystEngComm","2017","","","","","10.1039/C7CE01682D","","","0.71073","MoKα","","0.0959","0.0522","","","0.1117","0.1285","","","","","","1.056","","","","has coordinates","202876","2020-10-21","18:00:00",""
"7229510","7.4462","0.0007","9.5919","0.0009","23.752","0.002","90.29","0.001","95.146","0.001","105.614","0.002","1626.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Co3 N8 O27 -","- C66 H64 Co3 N8 O27 -","- C66 H64 Co3 N8 O27 -","1","0.5","","Lv, Sen; Wang, Yuan Ze; Zhang, Chong; Gu, Xu; Gong, Yun; Lin, Jianhua","Coordination polymer based perovskite device: matched energy levels and photocurrent enhancement in the absence or presence of methanol","CrystEngComm","2017","","","","","10.1039/C7CE01682D","","","0.71073","MoKα","","0.1088","0.0642","","","0.1362","0.1494","","","","","","1.001","","","","has coordinates","202876","2020-10-21","18:00:00",""
"7229511","7.629","0.005","15.946","0.005","16.469","0.005","92.875","0.005","99.764","0.005","101.239","0.005","1929.4","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Cl4 Cu2 N8 O7 S2 -","- C38 H22 Cl4 Cu2 N8 O7 S2 -","- C76 H44 Cl8 Cu4 N16 O14 S4 -","2","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.1092","0.0578","","","0.1386","0.1847","","","","","","1.052","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229512","8.124","0.005","32.652","0.005","7.379","0.005","90","0.005","93.14","0.005","90","0.005","1954.5","1.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 Cu N4 O4 P0 S -","- C19 H11 Cl2 Cu N4 O4 S -","- C76 H44 Cl8 Cu4 N16 O16 S4 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.1184","0.0808","","","0.1745","0.1903","","","","","","1.119","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229513","10.35","0.005","14.076","0.005","14.963","0.005","90","0.005","109.222","0.005","90","0.005","2058.4","1.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl0 Cu N4 O8 P S -","- C19 H11 Cu N4 O8 P S -","- C76 H44 Cu4 N16 O32 P4 S4 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.0869","0.0489","","","0.1266","0.1456","","","","","","1.024","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229514","25.3114","0.0006","25.3114","0.0006","14.3685","0.0007","90","","90","","120","","7972.1","0.5","296","2","296.15","","","","","","","","","7","R -3","-R 3","148","","","","- C14 H20 As0.67 Cu Mo6 N12 O20.67 -","- C13.986 H19.98 As0.666667 Cu Mo6 N11.988 O20.6667 -","- C125.874 H179.82 As6 Cu9 Mo54 N107.892 O186 -","9","","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; Wang, Bo","A novel 3D POMOFs based on Wells-Dawson arsenomolybdates with excellent photocatalytic and lithium-ion batteries performance","CrystEngComm","2017","","","","","10.1039/C7CE01734K","","","0.71073","MoKα","","0.0382","0.0304","","","0.0811","0.0881","","","","","","1.051","","","","has coordinates,has disorder","202878","2020-10-21","18:00:00",""
"7229527","21.411","0.003","21.411","0.003","9.737","0.0013","90","","90","","120","","3865.7","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.33 H63.33 N2 O8.33 -","- C56.3333 H62 N2 O8.33333 -","- C169 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0496","0.044","","","0.1186","0.1232","","","","","","1.055","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229528","31.802","0.011","9.443","0.003","17.98","0.006","90","","119.438","0.003","90","","4702","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C224 H248 N8 O32 -","4","0.5","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.1051","0.1187","","","","","","1.071","","","","has coordinates","202937","2020-10-21","18:00:00",""
"7229529","30.587","0.002","9.5507","0.0008","19.5075","0.0015","90","","113.56","0.001","90","","5223.6","0.7","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H70 N2 O9 -","- C59 H70 N2 O9 -","- C236 H280 N8 O36 -","4","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0569","0.0456","","","0.1123","0.1199","","","","","","1.049","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229530","21.4358","0.0015","21.4358","0.0015","9.708","0.0007","90","","90","","120","","3863.1","0.5","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H63 N2.33 O8 -","- C56.6667 H62 N2.33333 O8 -","- C170 H186 N7 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0396","0.0363","","","0.0945","0.0968","","","","","","1.044","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229531","21.4114","0.0018","21.4114","0.0018","9.799","0.0008","90","","90","","120","","3890.5","0.6","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H64 N2 O8.33 -","- C56.6666 H62 N2 O8.33333 -","- C170 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0492","0.046","","","0.1246","0.1282","","","","","","1.05","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229532","21.43","0.003","21.43","0.003","9.6863","0.0013","90","","90","","120","","3852.4","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C168 H186 N6 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0418","0.037","","","0.092","0.0955","","","","","","1.062","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229534","7.5875","0.0006","11.9287","0.0008","15.8232","0.0013","82.931","0.003","78.678","0.002","75.529","0.003","1355.58","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide, 1,4-dioxane solvate","","- C29 H28 N3 O5 S -","- C29 H29 N3 O5 S -","- C58 H58 N6 O10 S2 -","2","1","","Hussain, Majid; Bauzá, Antonio; Frontera, Antonio; Lo, Kong Mun; Naseer, Muhammad Moazzam","Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin","CrystEngComm","2018","20","2","150","","10.1039/C7CE01697B","","","0.71073","MoKα","","0.0671","0.044","","","0.1084","0.1223","","","","","","1.028","","","","has coordinates","229003","2020-10-21","18:00:00",""
"7229542","7.9615","0.0002","11.8938","0.0003","14.6343","0.0003","100.977","0.001","94.897","0.001","94.931","0.001","1348.02","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H28 Ag F6 N2 O2 P S2 -","- C25 H28 Ag F6 N2 O2 P S2 -","- C50 H56 Ag2 F12 N4 O4 P2 S4 -","2","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.0261","0.0239","","","0.0601","0.0615","","","","","","1.058","","","","has coordinates","203021","2020-10-21","18:00:00",""
"7229543","19.6427","0.0005","10.2297","0.0003","16.2","0.0004","90","","108.408","0.001","90","","3088.65","0.14","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Ag2 F12 N2 O2 P2 S2 -","- C25 H28 Ag2 F12 N2 O2 P2 S2 -","- C100 H112 Ag8 F48 N8 O8 P8 S8 -","4","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.0871","0.0771","","","0.2288","0.242","","","","","","1.061","","","","has coordinates,has disorder","203021","2020-10-21","18:00:00",""
"7229544","10.6576","0.0005","17.0361","0.0008","20.7041","0.0009","83.502","0.002","76.853","0.002","73.03","0.002","3496.8","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4 -","- C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4 -","- C104 H120 Ag8 Cl8 F48 N8 O8 P8 S8 -","2","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.1157","0.073","","","0.1692","0.199","","","","","","1.018","","","","has coordinates,has disorder","203021","2020-10-21","18:00:00",""
"7229545","11.3999","0.0003","11.8133","0.0003","13.5392","0.0004","102.517","0.001","99.513","0.001","106.844","0.001","1652.09","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H68 Cd N14 O16 S4 -","- C66 H64 Cd N14 O14 S4 -","- C66 H64 Cd N14 O14 S4 -","1","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0778","0.0501","","","0.1382","0.1726","","","","","","1.017","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229546","9.6261","0.001","9.6647","0.0009","10.2254","0.001","81.045","0.005","87.123","0.005","85.792","0.005","936.45","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cd N6 O8 S2 -","- C38 H38 Cd N6 O8 S2 -","- C38 H38 Cd N6 O8 S2 -","1","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0685","0.0428","","","0.1225","0.151","","","","","","1.033","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229547","10.304","0.003","10.679","0.003","18.996","0.004","79.775","0.015","76.308","0.015","70.154","0.014","1899.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cd N6 Na O10 S -","- C36 H37 Cd N6 Na O10 S -","- C72 H74 Cd2 N12 Na2 O20 S2 -","2","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1054","0.0548","","","0.0943","0.1127","","","","","","0.985","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229548","10.134","0.002","11.56","0.002","17.57","0.004","99.98","0.03","104","0.03","108.19","0.03","1826.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cd N5 O8 S2 -","- C35 H32 Cd N5 O8 S2 -","- C70 H64 Cd2 N10 O16 S4 -","2","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0985","0.0576","","","0.1431","0.1635","","","","","","0.929","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229549","10.1841","0.0019","21.484","0.004","10.4012","0.0017","90","","100.3","0.006","90","","2239.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H17 N4 O7 S Zn -","- C32.614 H18 N4 O7 S Zn -","- C65.228 H36 N8 O14 S2 Zn2 -","2","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1155","0.0686","","","0.1569","0.1743","","","","","","1.061","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229550","18.304","0.003","12.325","0.002","21.955","0.004","90","","107.923","0.007","90","","4712.6","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N7 O7 S2 Zn -","- C46 H40 N7 O7 S2 Zn -","- C184 H160 N28 O28 S8 Zn4 -","4","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0797","0.0439","","","0.1012","0.1194","","","","","","1.017","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229551","22.7003","0.0012","16.1285","0.0007","11.5653","0.0004","90","","116.89","0.003","90","","3776.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cl Cu2 N6 O5 -","- C32 H20 Cl Cu2 N6 O5 -","- C128 H80 Cl4 Cu8 N24 O20 -","4","0.5","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","1.54178","CuKα","","0.0594","0.0509","","","0.1414","0.1475","","","","","","1.085","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229552","15.249","0.003","14.078","0.003","16.178","0.003","90","","117.2","0.03","90","","3089","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cu N6 O5 -","- C32 H22 Cu N6 O5 -","- C128 H88 Cu4 N24 O20 -","4","1","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","0.71073","MoKα","","0.0507","0.0472","","","0.1383","0.1421","","","","","","1.043","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229553","22.6373","0.0015","16.3743","0.0012","11.5237","0.0007","90","","116.401","0.002","90","","3826","0.4","302","2","301.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Br Cu2 N6 O5 -","- C32 H20 Br Cu2 N6 O5 -","- C128 H80 Br4 Cu8 N24 O20 -","4","0.5","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","0.71073","MoKα","","0.0723","0.0616","","","0.2013","0.2108","","","","","","1.116","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229554","17.64","0.004","33.509","0.002","16.6141","0.0017","90","","103.793","0.014","90","","9537","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","[Ni2.5(TCPP)(u-O)(H2O)2].nD","","- C96 H48 N8 Ni5 O21 -","- C96 H48 N8 Ni5 O21 -","- C192 H96 N16 Ni10 O42 -","2","0.25","","Amayuelas López, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Arriortua, María Isabel","Highly thermally stable heterogeneous catalysts: study of 0D and 3D porphyrinic MOFs","CrystEngComm","2017","","","","","10.1039/C7CE01702B","","","1.54184","CuKα","","0.1627","0.0991","","","0.2522","0.2919","","","","","","0.952","","","","has coordinates","203140","2020-10-21","18:00:00",""
"7229555","17.6945","0.0011","11.4264","0.0007","14.1947","0.0009","90","","97.382","0.001","90","","2846.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Cl3 O6 -","- C29 H37 Cl3 O6 -","- C116 H148 Cl12 O24 -","4","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","0.71073","MoKα","","0.0403","0.0336","","","0.0814","0.0859","","","","","","1.057","","","","has coordinates","203141","2020-10-21","18:00:00",""
"7229556","9.6564","0.0011","13.3543","0.0015","14.3477","0.0016","67.011","0.004","76.108","0.004","80.955","0.004","1649.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 F6 N O6 P -","- C34 H43 F6 N O6 P -","- C68 H86 F12 N2 O12 P2 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0674","0.0613","","","0.2033","0.2094","","","","","","1.132","","","","has coordinates","203141","2020-10-21","18:00:00",""
"7229557","10.1729","0.0016","13.993","0.002","14.345","0.002","63.733","0.004","84.981","0.004","74.713","0.004","1765.4","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37.84 H49 O9.66 -","- C37.84 H49.006 O9.663 -","- C75.68 H98.012 O19.326 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0448","0.0421","","","0.1197","0.1237","","","","","","1.069","","","","has coordinates,has disorder","203141","2020-10-21","18:00:00",""
"7229558","9.6535","0.0016","12.475","0.002","18.922","0.003","83.815","0.006","84.842","0.006","76.722","0.006","2199.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.31 H57.63 F6 N O9.77 P -","- C45.319 H57.638 F6 N O9.773 P -","- C90.638 H115.276 F12 N2 O19.546 P2 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0521","0.0434","","","0.1265","0.1361","","","","","","1.14","","","","has coordinates,has disorder","203141","2020-10-21","18:00:00",""
"7229561","6.021","0.0005","12.32","0.0009","13.294","0.001","77.871","0.001","77.259","0.001","79.486","0.001","930.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71069","MoKα","","0.0275","0.023","","","0.0538","0.0559","","","","","","1.036","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229562","12.3636","0.0005","13.0466","0.0005","14.4949","0.0005","106.06","0.001","97.818","0.001","111.813","0.001","2009.83","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0343","0.0283","","","0.0711","0.0744","","","","","","1.035","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229563","25.9299","0.0017","9.8335","0.0006","24.7101","0.0016","90","","117.076","0.002","90","","5610.1","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H53 Co3 Cr Mo6 N6 O46 -","- C25 H48.9998 Co3 Cr Mo6 N6 O46 -","- C100 H195.999 Co12 Cr4 Mo24 N24 O184 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0551","0.034","","","0.0653","0.0717","","","","","","1.011","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229564","9.624","0.002","13.716","0.004","14.061","0.003","61.168","0.004","70.68","0.005","88.297","0.005","1515.4","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H53 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0664","0.0547","","","0.155","0.1641","","","","","","1.001","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229565","26.323","0.002","9.8415","0.0009","25.627","0.003","90","","117.922","0.001","90","","5866","1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Cu3 Mo6 N6 O45 -","- C24 H44 Cl Cr Cu3 Mo6 N6 O45 -","- C96 H176 Cl4 Cr4 Cu12 Mo24 N24 O180 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0659","0.0388","","","0.0891","0.1","","","","","","1.032","","","","has coordinates","228930","2020-10-21","18:00:00",""
"7229566","10.365","0.0002","15.4064","0.0003","28.5396","0.0005","90","","94.72","0.002","90","","4541.96","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cd(Noxisph)~4~(DMF)~5~(H~2~O)","","","- C86 H88 Cd4 N10 O31 -","- C86 H88 Cd4 N10 O31 -","- C172 H176 Cd8 N20 O62 -","2","1","","Wang, Yi; Yang, Huan; Cheng, Gang; Wu, yunying; Lin, Shaomin","Tb(III)-functionalized a new layer-like Cd MOF as luminescent probe for highly selectively sensing Cr3+","CrystEngComm","2017","","","","","10.1039/C7CE01795B","","","0.71073","MoKα","","0.0597","0.0457","","","0.0917","0.0994","","","","","","1.047","","","","has coordinates","203222","2020-10-21","18:00:00",""
"7229567","25.641","0.0008","8.0045","0.0002","7.8006","0.0003","90","","98.534","0.003","90","","1583.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl4 N5 -","- C14 H11 Cl4 N5 -","- C56 H44 Cl16 N20 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0409","0.0353","","","0.0872","0.0926","","","","","","1.074","","","","has coordinates","203223","2020-10-21","18:00:00",""
"7229568","27.8757","0.0008","15.985","0.005","8.737","0.0003","90","0.005","90","0.005","90","0.005","3893.1","1.2","100.01","0.01","100.01","0.01","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H52 N8 O2 Pd -","- C39 H52 N8 O2 Pd -","- C156 H208 N32 O8 Pd4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0586","0.0558","","","0.1462","0.1527","","","","","","1.044","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229569","10.6109","0.0003","12.3786","0.0003","13.1939","0.0004","79.325","0.002","77.329","0.003","73.188","0.003","1604.7","0.08","100","0.01","100","0.01","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 N6 O2 Pd -","- C35 H42 N6 O2 Pd -","- C70 H84 N12 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0373","0.0368","","","0.1015","0.1023","","","","","","1.005","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229570","9.0399","0.0002","11.2725","0.0002","18.7721","0.0004","90.099","0.002","103.059","0.002","90.617","0.002","1863.32","0.07","100","0.01","100","0.01","","","","","","","","5","P -1","-P 1","2","[[Pt(ppy)(diOMebigu)]:(4-dimethylaminonaphthalimide)]","","","- C43 H42 N8 O6 Pt -","- C43 H42 N8 O6 Pt -","- C86 H84 N16 O12 Pt2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0343","0.0334","","","0.0895","0.093","","","","","","1.088","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229571","10.3997","0.0003","12.5486","0.0004","14.9232","0.0005","67.212","0.003","87.641","0.002","68.071","0.003","1653.34","0.11","100.01","0.01","100.01","0.01","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl4 N8 O2 Pd -","- C31 H32 Cl4 N8 O2 Pd -","- C62 H64 Cl8 N16 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0458","0.0451","","","0.1208","0.1238","","","","","","1.065","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229572","13.6217","0.0004","33.0468","0.0009","7.813","0.0002","90","","99.978","0.003","90","","3463.85","0.17","100","0.01","100","0.01","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[[Pt(ppy)(biguH)]:(barbitone)].CHCl3","","","- C34 H35 Cl3 N8 O3 Pt -","- C34 H35 Cl3 N8 O3 Pt -","- C136 H140 Cl12 N32 O12 Pt4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.045","0.0378","","","0.0899","0.0957","","","","","","1.036","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229573","7.3941","0.0002","14.4709","0.0002","15.6155","0.0003","116.54","0.002","92.067","0.002","90.431","0.002","1493.28","0.06","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 F4 N8 O2 Pd -","- C31 H32 F4 N8 O2 Pd -","- C62 H64 F8 N16 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0341","0.0337","","","0.092","0.0951","","","","","","1.098","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229574","36.4566","0.0009","13.9098","0.0002","21.6407","0.0003","90","","97.802","0.002","90","","10872.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47.33 H50.33 Cl N8 O2 Pt -","- C47.33 H50.33 Cl0.99 N8 O2 Pt -","- C378.64 H402.64 Cl7.92 N64 O16 Pt8 -","8","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.063","0.0574","","","0.1643","0.17","","","","","","1.053","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229575","7.1493","0.0002","11.5438","0.0002","17.1104","0.0003","90","","99.992","0.002","90","","1390.7","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F4 N5 -","- C14 H11 F4 N5 -","- C56 H44 F16 N20 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0621","0.0492","","","0.1389","0.1417","","","","","","1.349","","","","has coordinates","203223","2020-10-21","18:00:00",""
"7229576","7.4546","0.0001","14.4536","0.0003","15.5267","0.0003","116.599","0.002","91.786","0.002","90.113","0.002","1494.91","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 F4 N8 O2 Pt -","- C31 H32 F4 N8 O2 Pt -","- C62 H64 F8 N16 O4 Pt2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0281","0.0267","","","0.0719","0.0801","","","","","","1.063","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229577","8.2099","0.0016","11.009","0.002","11.794","0.002","112.878","0.002","106.277","0.002","97.836","0.002","905.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C38 H36 Cl2 N2 O4 S2 -","2","1","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1023","0.0549","","","0.1152","0.1357","","","","","","1.041","","","","has coordinates","203224","2020-10-21","18:00:00",""
"7229578","8.406","0.004","35.455","0.017","12.722","0.006","90","","106.65","0.007","90","","3633","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1648","0.0529","","","0.0909","0.1273","","","","","","0.951","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229579","8.0999","0.001","10.997","0.0013","11.7661","0.0014","113.084","0.002","106.754","0.002","97.855","0.002","885.35","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C38 H36 Cl2 N2 O4 S2 -","2","1","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0412","0.035","","","0.0909","0.0952","","","","","","1.037","","","","has coordinates","203224","2020-10-21","18:00:00",""
"7229580","8.3442","0.0008","35.108","0.003","12.7373","0.0012","90","","107.155","0.001","90","","3565.4","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0991","0.0543","","","0.0936","0.1114","","","","","","1.018","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229583","16.581","0.002","15.248","0.002","15.9","0.002","90","","90","","90","","4020","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Cd Cl2 N6 O12 -","- C36 H30 Cd Cl2 N6 O12 -","- C144 H120 Cd4 Cl8 N24 O48 -","4","1","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","","0.71073","MoKα","","0.0427","0.0395","","","0.1008","0.1032","","","","","","1.073","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229584","14.686","0.005","14.686","0.005","26.103","0.009","90","","90","","90","","5630","3","100","0.2","100","0.2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C40 H64 Cu N7 O12 -","- C19 H14 Cu O5 -","- C76 H56 Cu4 O20 -","4","0.25","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.3011","0.1642","","","0.4208","0.5026","","","","","","1.007","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229585","14.7093","0.0016","14.7093","0.0016","26.053","0.003","90","","90","","90","","5636.9","1.1","100","0.2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C46 H69 Cu O14 -","- C19 H14 Cu O5 -","- C76 H56 Cu4 O20 -","4","0.25","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.1495","0.1241","","","0.3508","0.3808","","","","","","1.244","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229586","19.302","0.005","21.805","0.004","26.364","0.004","90","","90","","90","","11096","4","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C26 H29 Cl14 Cu O5 -","- C19 H14 Cu O5 -","- C152 H112 Cu8 O40 -","8","0.5","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.2219","0.1329","","","0.3213","0.3615","","","","","","0.857","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229587","7.0629","0.0004","7.9863","0.0004","17.6846","0.0009","79.301","0.005","80.217","0.005","68.622","0.005","907.03","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 B2 N2 O9 -","- C12 H26 B2 N2 O9 -","- C24 H52 B4 N4 O18 -","2","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.7107","MoKα","","0.0559","0.0397","","","0.0884","0.0965","","","","","","1.029","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229588","10.0731","0.0004","10.2343","0.0004","12.1312","0.0005","112.547","0.001","111.555","0.001","94.539","0.001","1038.42","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 B2 N2 O7 -","- C18 H28 B2 N2 O7 -","- C36 H56 B4 N4 O14 -","2","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","x-ray","0.71073","MoKα","","0.0684","0.0563","","","0.1559","0.1682","","","","","","1.064","","","","has coordinates,has disorder","203244","2020-10-21","18:00:00",""
"7229589","6.4207","0.0003","26.1612","0.0011","11.4892","0.0004","90","","93.522","0.004","90","","1926.23","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B N2 O5 -","- C18 H29 B N2 O5 -","- C72 H116 B4 N8 O20 -","4","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.71073","MoKα","","0.1064","0.0594","","","0.1473","0.1791","","","","","","0.906","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229590","6.9008","0.0003","18.7679","0.0008","7.4385","0.0003","90","","111.334","0.0014","90","","897.37","0.07","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 B N O4 -","- C6 H14 B N O4 -","- C24 H56 B4 N4 O16 -","4","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","x-ray","0.71073","MoKα","","0.0436","0.0342","","","0.0853","0.0903","","","","","","1.056","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229591","14.3765","0.0004","5.04525","0.00019","17.3563","0.0007","90","","90.695","0.003","90","","1258.81","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 B O3 -","- C6 H7 B O3 -","- C48 H56 B8 O24 -","8","2","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.71073","MoKα","","0.0582","0.0438","","","0.1088","0.1255","","","","","","1.088","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229595","11.18241","0.00011","11.18241","0.00011","7.2372","0.00008","90","","90","","120","","783.74","0.014","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Barium Fluoride Borate","","","- B3.51 Ba7 F3.47 O10.53 -","- B3.51 Ba6.991 F3.461 O10.53 -","- B7.02 Ba13.982 F6.922 O21.06 -","2","0.333333","","Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu.","Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x","CrystEngComm","2012","14","20","6910","","10.1039/c2ce26122g","","x-ray","0.71073","MoKα","","0.0258","0.0251","","","0.0545","0.0548","","","","","","1.084","","","","has coordinates","203288","2020-10-21","18:00:00",""
"7229596","14.5865","0.0009","8.2327","0.0004","10.122","0.0005","90","","94.055","0.002","90","","1212.47","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-BPXG","","","- C24 H28 N6 O2 -","- C24 H28 N6 O2 -","- C48 H56 N12 O4 -","2","0.5","","Markad, Datta; Mandal, Sanjay K.","An exploration into the amide‒pseudo amide hydrogen bonding synthon between a new coformer with two primary amide groups and theophylline","CrystEngComm","2017","","","","","10.1039/C7CE01666B","","","0.71073","MoKα","","0.0716","0.0469","","","0.1356","0.1522","","","","","","1.05","","","","has coordinates","203315","2020-10-21","18:00:00",""
"7229597","9.536","0.016","11.74","0.02","12.81","0.02","96.84","0.02","93.49","0.02","94.57","0.02","1416","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","[(2bpxg.4THP)n]","","","- C52 H60 N22 O10 -","- C52 H60 N22 O10 -","- C52 H60 N22 O10 -","1","0.5","","Markad, Datta; Mandal, Sanjay K.","An exploration into the amide‒pseudo amide hydrogen bonding synthon between a new coformer with two primary amide groups and theophylline","CrystEngComm","2017","","","","","10.1039/C7CE01666B","","","0.71073","MoKα","","0.0941","0.0558","","","0.1535","0.1861","","","","","","1.089","","","","has coordinates","203315","2020-10-21","18:00:00",""
"7229598","3.6679","0.0007","10.1769","0.0019","17.203","0.003","90","","90","","90","","642.2","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-nitro-o-phenylene-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Shishkin, Oleg. V.; Boyko, Alexander N.","Influence of substituents on the acceptor properties of the amino groups in the diaminobenzene analogues","CrystEngComm","2017","","","","","10.1039/C7CE01732D","","","0.71073","MoKα","","0.0448","0.0362","","","0.0842","0.087","","","","","","0.9029","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7229607","16.744","0.0005","8.987","0.0002","31.956","0.0011","90","0.0017","101.227","0.0016","90","0.0017","4716.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Fe P2 -","- C24 H40 Fe P2 -","- C192 H320 Fe8 P16 -","8","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.7107","MoKα","","0.0347","0.0307","","","0.0813","0.0839","","","","","","1.052","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229608","14.3675","0.0016","8.2658","0.001","18.64","0.0016","90","","123.87","0.006","90","","1838","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N3 O9.5 Tb -","- C18 H11 N3 O9.25 Tb -","- C72 H44 N12 O37 Tb4 -","4","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.71073","MoKα","","0.0289","0.0272","","","0.0629","0.0636","","","","","","1.086","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229609","9.6487","0.0015","5.2866","0.0007","11.1382","0.0019","90","","110.361","0.005","90","","532.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Synthesis of 1-(4-fluorphenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0432","0.0351","","","0.087","0.0913","","","","","","1.058","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229610","5.4917","0.0005","16.1489","0.0013","12.4976","0.001","90","","100.382","0.007","90","","1090.2","0.16","295","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(phenyl)triazene N3-hyroxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","","0.71073","MoKα","","0.2174","0.0687","","","0.1464","0.2041","","","","","","0.998","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229611","6.168","0.0009","9.574","0.0016","19.477","0.003","90","","96.539","0.009","90","","1142.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.1158","0.066","","","0.166","0.1886","","","","","","1.015","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229612","6.2398","0.0003","9.7185","0.0005","19.5527","0.001","90","","96.462","0.002","90","","1178.17","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-bromophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C48 H40 Br4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0612","0.0336","","","0.0646","0.0727","","","","","","1.005","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229613","4.7465","0.0003","9.9491","0.0006","26.6177","0.0014","90","","90","","90","","1256.98","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-iodophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 I N3 O -","- C12 H10 I N3 O -","- C48 H40 I4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0854","0.0466","","","0.1145","0.1316","","","","","","1.037","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229622","8.771","0.008","8.771","0.008","26.13","0.02","90","","90","","90","","2010","3","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au3.56 Ba Ga8.44 -","- Au3.56 Ba Ga8.44 -","- Au28.48 Ba8 Ga67.52 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0937","0.0672","","","0.1437","0.1602","","","","","","1.106","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229623","7.33","0.009","7.33","0.009","14.105","0.017","90","","90","","90","","757.8","1.6","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.41 Gd2 Sb3.59 -","- Au11.41 Gd2 Sb3.59 -","- Au22.82 Gd4 Sb7.18 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0929","0.1024","","","","","","1.019","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229624","7.307","0.0006","7.307","0.009","14.0497","0.0014","90","","90","","90","","750.1","0.9","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.98 Gd2 Sb3.02 -","- Au11.98 Gd2 Sb3.02 -","- Au23.96 Gd4 Sb6.04 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0689","0.0462","","","0.1039","0.1155","","","","","","1.054","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229625","8.774","0.001","8.774","0.001","26.064","0.004","90","","90","","90","","2006.5","0.4","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4.38 Ba Ga7.62 -","- Au4.372 Ba Ga7.628 -","- Au34.976 Ba8 Ga61.024 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0939","0.0733","","","0.1587","0.1687","","","","","","1.164","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229628","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229629","5.56","0.005","14.516","0.013","16.611","0.015","90","","93.872","0.016","90","","1338","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2","(E)-2-(5-(2-(thiophen-2-yl)vinyl)-thiophen-2-yl)-ethene-1,1,2-tricarbonitrile","","- C15 H7 N3 S2 -","- C15 H7 N3 S2 -","- C60 H28 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0567","0.0363","","","0.0833","0.093","","","","","","1.071","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229630","9.1187","0.0016","10.6243","0.0018","16.361","0.003","73.912","0.003","82.666","0.003","70.835","0.003","1437.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","3","(E)-2-(3,4-dibu-tyl-5-(2-(3,4-dibutylthiophen-2-yl)vinyl)thiophen-2-yl) ethene-1,1,2-tricarbo-nitrile","","- C31 H39 N3 S2 -","- C31 H39 N3 S2 -","- C62 H78 N6 S4 -","2","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.1038","0.0649","","","0.1444","0.1611","","","","","","1.042","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229635","25.4312","0.00012","25.4312","0.00012","6.06772","0.00003","90","","90","","90","","3924.27","0.03","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","C12 H22 N4 O2, C6 H6 O2","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C144 H224 N32 O32 -","8","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","2.7267","9.52","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229636","29.624","0.0017","6.0611","0.0002","8.6488","0.0003","90","","101.974","0.004","90","","1519.14","0.12","333","","333","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis([1,2,3]triazolo)[1,5-a:5',1'-k][1,10]phenanthroline","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","0.039","10.589","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229637","16.185","0.014","29.012","0.018","6.093","0.004","90","","90","","90","","2861","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C96 H176 N32 O16 -","8","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.095","0.0695","","","0.1901","0.2027","","","","","","1.137","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229638","6.0552","0.0003","14.4565","0.0008","15.8765","0.0009","90","","97.773","0.002","90","","1377.01","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N?-bis(2-(dimethylamino)ethyl)squaramide","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.0531","0.0445","","","0.1136","0.1215","","","","","","1.076","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229639","7.0282","0.0006","9.9007","0.0008","17.2379","0.0015","90","","90","","90","","1199.48","0.18","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0312","0.0275","","","0.0675","0.0698","","","","","","1.03","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229640","6.0781","0.0003","10.8821","0.0006","17.8535","0.001","90","","90","","90","","1180.87","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0229","0.0228","","","0.0595","0.0596","","","","","","1.072","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229641","6.1053","0.0004","10.9507","0.0007","18.1001","0.0011","90","","90","","90","","1210.12","0.13","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0444","0.0369","","","0.0887","0.1008","","","","","","1.165","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229642","9.7371","0.0002","9.7371","0.0002","22.4924","0.0005","90","","90","","120","","1846.82","0.07","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","potassium manganese(II) oxalatophosphite","","- C2 H6 K2 Mn2 O12 P2 -","- C2 H6 K2 Mn2 O12 P2 -","- C12 H36 K12 Mn12 O72 P12 -","6","0.5","","Orive, Joseba; Sivasamy, Ramesh; Fernández de Luis, Roberto; Mosquera, Edgar; Arriortua, María I.","K2MnII2(H2O)2C2O4(HPO3)2: a new 2D manganese(ii) oxalatophosphite with double-layered honeycomb sheets stabilized by potassium ions","CrystEngComm","2018","20","3","301","","10.1039/C7CE01637A","","x-ray","0.71073","MoKα","","0.0259","0.0241","","","0.0529","0.054","","","","","","1.053","","","","has coordinates","229160","2020-10-21","18:00:00",""
"7229643","43.386","0.006","4.9901","0.0007","15.449","0.002","90","","97.972","0.004","90","","3312.4","0.8","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 N2 -","- C43 H46 N2 -","- C172 H184 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1702","0.0678","","","0.1204","0.1532","","","","","","1.005","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229644","16.811","0.002","16.372","0.002","15.924","0.002","90","","113.537","0.002","90","","4018.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Cu N2 -","- C43 H48 Cl4 Cu N2 -","- C172 H192 Cl16 Cu4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.1173","0.0916","","","0.2332","0.2536","","","","","","1.057","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229645","16.826","0.016","16.442","0.016","15.963","0.015","90","","112.175","0.011","90","","4090","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Co N2 -","- C43 H48 Cl4 Co N2 -","- C172 H192 Cl16 Co4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0686","0.0478","","","0.1236","0.1355","","","","","","1.038","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229646","16.92","0.003","16.352","0.003","16.032","0.003","90","","113.205","0.002","90","","4076.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cd Cl4 N2 -","- C43 H48 Cd Cl4 N2 -","- C172 H192 Cd4 Cl16 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0704","0.0536","","","0.1363","0.1457","","","","","","1.058","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229647","11.3233","0.0012","11.3295","0.0011","16.0792","0.0016","92.539","0.003","95.904","0.003","96.359","0.003","2036","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 Cl2 N2 O2 -","- C45 H48 Cl2 N2 O2 -","- C90 H96 Cl4 N4 O4 -","2","1","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1693","0.1368","","","0.4093","0.4515","","","","","","1.97","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229660","5.7537","0.0006","9.6831","0.0011","20.806","0.002","90","","90","","90","","1159.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C52 H52 N4 O4 Se4 -","4","1","","Holzer, Brigitte; Stöger, Berthold; Kautny, Paul; Reider, Georg; Hametner, Christian; Fröhlich, Johannes; Lumpi, Daniel","A novel selenoalkenyl-isoxazole based donor-acceptor nonlinear optical material.","CrystEngComm","2018","20","1","12","16","10.1039/c7ce01925d","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.03","0.0306","","","","1.56","1.56","1.52","","","","has coordinates","228932","2020-10-21","18:00:00",""
"7229662","11.5785","0.0004","10.1983","0.0004","6.3875","0.0002","90","","90","","90","","754.24","0.05","305","0.1","305","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0487","0.036","","","0.1079","0.1114","","","","","","1.098","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229663","11.2102","0.0003","10.0001","0.0003","6.33101","0.00016","90","","90","","90","","709.73","0.03","85","0.5","85","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0144","0.0122","","","0.0314","0.0318","","","","","","1.148","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229664","10.618","0.003","9.5461","0.0003","5.9958","0.0002","90","","90","","90","","607.74","0.17","295","2","295","2","","","3190000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0251","0.0201","","","0.0566","0.0601","","","","","","1.137","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229665","10.502","0.003","9.4708","0.0003","5.93353","0.00019","90","","90","","90","","590.16","0.17","295","2","295","2","","","4020000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.024","0.019","","","0.0406","0.0434","","","","","","1.213","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229666","10.864","0.016","9.7573","0.0012","6.1183","0.0007","90","","90","","90","","648.6","1","295","2","295","2","","","1600000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.1526","0.0706","","","0.161","0.2183","","","","","","1.048","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229667","11.5358","0.0004","10.1791","0.0003","6.4013","0.0002","90","","90","","90","","751.67","0.04","293","0.1","293","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0373","0.0286","","","0.0889","0.0911","","","","","","1.121","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229668","11.2254","0.0002","10.0086","0.0002","6.33713","0.00014","90","","90","","90","","711.98","0.02","100","0.1","100","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0155","0.0128","","","0.0331","0.0442","","","","","","1.397","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229682","9.1366","0.0003","9.1366","0.0003","14.4247","0.0011","90","","90","","120","","1042.81","0.09","295","2","295","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mn N6 -","- C6 H24 Ag2 I4 Mn N6 -","- C12 H48 Ag4 I8 Mn2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0186","0.0181","","","0.0386","0.0388","","","","","","1.199","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229683","9.0744","0.0008","9.0744","0.0008","14.453","0.002","90","","90","","120","","1030.68","0.19","273","2","273","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mg N6 -","- C6 H24 Ag2 I4 Mg N6 -","- C12 H48 Ag4 I8 Mg2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0176","0.0174","","","0.0342","0.0343","","","","","","1.171","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229684","8.8986","0.0017","7.9933","0.0015","14.175","0.003","90","","97.628","0.003","90","","999.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0572","0.0445","","","0.1081","0.1163","","","","","","1.052","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229685","3.671","0.003","7.594","0.005","13.772","0.01","95.723","0.008","93.218","0.008","97.153","0.008","378.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O3 -","- C8 H7 N2 O3 -","- C16 H14 N4 O6 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0506","0.0424","","","0.1158","0.1224","","","","","","1.076","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229686","17.184","0.015","7.328","0.005","13.045","0.009","90","","111.257","0.01","90","","1531","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-triamino-1,3,5-triazin-1-ium 2-(4-cyanopyridin-1-ium-1-yl)fumarate hydrate","","- C13 H14 N8 O5 -","- C13 H14 N8 O5 -","- C52 H56 N32 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1228","0.056","","","0.1285","0.1593","","","","","","1.055","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229687","7.2047","0.0011","7.5455","0.0011","10.8058","0.0016","91.8","0.002","100.509","0.002","115.757","0.002","516.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-4-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0342","0.0317","","","0.0854","0.0875","","","","","","1.048","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229688","5.7312","0.0005","12.3326","0.001","12.8974","0.0011","71.53","0.002","86.574","0.003","89.673","0.003","863.01","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(3-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H18 N8 O7 -","- C13 H18 N8 O7 -","- C26 H36 N16 O14 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1008","0.0719","","","0.1331","0.1448","","","","","","1.103","","","","has coordinates,has disorder","228933","2020-10-21","18:00:00",""
"7229689","8.6886","0.0003","8.9638","0.0003","11.2137","0.0004","94.473","0.002","103.931","0.002","106.657","0.001","801.88","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(4-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H16 N8 O6 -","- C13 H16 N8 O6 -","- C26 H32 N16 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0567","0.0452","","","0.0996","0.1066","","","","","","1.07","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229690","11.4209","0.0002","20.5581","0.0004","9.97928","0.00018","90","","91.597","0.0011","90","","2342.15","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H17 F3 N5 O4 S2 -","- C21.5 H17 F3 N5 O4 S2 -","- C86 H68 F12 N20 O16 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0929","0.0627","","","0.1493","0.1669","","","","","","0.892","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229691","11.2994","0.0002","20.5599","0.0004","10.11464","0.00018","90","","92.3835","0.0008","90","","2347.74","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0423","0.0376","","","0.0971","0.1019","","","","","","1.092","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229692","11.2642","0.0002","20.5587","0.0004","10.11845","0.00018","90","","91.9094","0.0007","90","","2341.9","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0467","0.0415","","","0.1034","0.1075","","","","","","1.084","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229693","11.24851","0.00018","20.6292","0.0004","10.0577","0.0002","90","","91.7969","0.0009","90","","2332.72","0.07","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C84 H66 Cl2 F12 N20 O12 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0738","0.0478","","","0.1352","0.1917","","","","","","1.068","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229722","11.8378","0.0003","13.0103","0.0003","16.5916","0.0003","67.729","0.0019","71.634","0.002","78.1997","0.0019","2233.7","0.09","116.95","0.1","116.95","0.1","","","","","","","no","5","P 1","P 1","1","no","salt of titanyl phthalocyanine with tetrapentylammonium cations","","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","1","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.045","0.0379","","","0.092","0.0963","","","","","","1.041","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229723","13.4984","0.0003","24.7177","0.0005","13.8468","0.0003","90","","98.086","0.002","90","","4574.04","0.17","150","2","150","2","","","","","","","no","5","P 1 21/n 1","-P 2yn","14","no","salt of titanyl phthalocyanine with N-mehyldiazabicyclooctanium cation and neutral trypticene molecule","","- C59 H45 N10 O Ti -","- C59 H45 N10 O Ti -","- C236 H180 N40 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1328","0.0455","","","0.0728","0.0814","","","","","","0.733","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229724","22.92","0.0006","11.7027","0.0003","21.2051","0.0006","90","","95.783","0.003","90","","5658.8","0.3","109.95","0.1","109.95","0.1","","","","","","","no","6","C 1 c 1","C -2yc","9","no","salt of vanadyl phthalocyanine with tetrahexylammonium cation, o-dichlobenzene solvate","","- C62 H72 Cl2 N9 O V -","- C62 H72 Cl2 N9 O V -","- C248 H288 Cl8 N36 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0521","0.0406","","","0.0835","0.0898","","","","","","1.026","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229725","19.5955","0.0011","17.1171","0.001","19.1812","0.0013","90","","99.444","0.006","90","","6346.5","0.7","150","0.14","150","0.14","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","salt of titanyl phthalocyanine with N-methyldiazabicyclooctanium cation","","- C39 H31 N10 O Ti -","- C39 H30.9997 N10 O Ti -","- C312 H247.998 N80 O8 Ti8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.1149","0.0613","","","0.1229","0.1467","","","","","","1.011","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229726","11.8287","0.0004","13.0419","0.0004","16.6492","0.0005","67.7","0.003","71.527","0.003","78.147","0.002","2243.27","0.14","116.7","0.6","116.7","0.6","","","","","","","no","5","P 1","P 1","1","no","salt of vanadyl phthalocyanine with tetrapentylammonium cation","","- C52 H60 N9 O V -","- C52 H60 N9 O V -","- C104 H120 N18 O2 V2 -","2","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0586","0.0428","","","0.0927","0.1019","","","","","","1.027","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229727","12.5787","0.0007","13.0731","0.0005","25.4452","0.0017","90","","91.733","0.005","90","","4182.4","0.4","130","0.14","130","0.14","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of titanyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O Ti -","- C46 H46 I N12 O Ti -","- C184 H184 I4 N48 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0664","0.0485","","","0.0943","0.1006","","","","","","1.102","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229728","12.5922","0.0003","13.0726","0.0002","25.407","0.0007","90","","91.73","0.002","90","","4180.41","0.17","129.7","0.7","129.7","0.7","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of vanadyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O V -","- C46 H46 I N12 O V -","- C184 H184 I4 N48 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0491","0.0373","","","0.0788","0.0833","","","","","","1.094","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229729","11.8705","0.0005","31.689","0.002","23.8325","0.0009","90","","90","","90","","8964.9","0.8","293","2","293","","","","","","","","no","5","P c c n","-P 2ab 2ac","56","no","salt of vanadyl phthalocyanine radical anions with di(i_propyl)inidazolium cations","","- C41 H33 N10 O V -","- C41 H33 N10 O V -","- C328 H264 N80 O8 V8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1678","0.1294","","","0.3366","0.3624","","","","","","1.04","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229730","23.2181","0.0005","11.4301","0.0002","21.4414","0.0004","90","","96.059","0.002","90","","5658.44","0.19","100","","100","","","","","","","","no","6","P 1 c 1","P -2yc","7","no","salt of titanyl phthalocyanine with tetrahexylammonium cations, o-dichlorobenzene solate","","- C62 H72 Cl2 N9 O Ti -","- C62 H72 Cl2 N9 O Ti -","- C248 H288 Cl8 N36 O4 Ti4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0835","0.0544","","","0.1158","0.1282","","","","","","1.026","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229734","13.485","0.003","16.959","0.003","29.331","0.006","96.95","0.03","101.33","0.03","111.95","0.03","5959","3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0662","0.043","","","0.0808","0.1062","","","","","","1.14","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229735","13.4179","0.0016","16.9025","0.0005","29.074","0.005","97.12","0.006","101.305","0.001","112.265","0.006","5839.3","1.3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71075","MoKα","","0.0663","0.0406","","","0.0935","0.1072","","","","","","1.077","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229736","12.436","0.003","23.39","0.005","21.007","0.004","90","","99.67","0.03","90","","6024","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 I10 O8 S8 Tb -","- C16 H30 Ag7 I10 O8 S8 Tb -","- C64 H120 Ag28 I40 O32 S32 Tb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0607","0.0403","","","0.0895","0.1097","","","","","","1.15","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229737","17.574","0.003","14.937","0.003","22.48","0.008","90","","122.31","0.02","90","","4987","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 Ag5 I8 O7 S7 Yb -","- C14 H36 Ag5 I8 O7 S7 Yb -","- C56 H144 Ag20 I32 O28 S28 Yb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0778","0.0552","","","0.1031","0.1165","","","","","","1.219","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229738","12.328","0.002","23.283","0.004","20.87","0.004","90","","100.055","0.005","90","","5898.4","1.8","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Eu I10 O8 S8 -","- C16 H48 Ag7 Eu I10 O8 S8 -","- C64 H192 Ag28 Eu4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0601","0.0471","","","0.0869","0.1049","","","","","","1.125","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229739","12.426","0.003","23.378","0.005","20.998","0.004","90","","99.61","0.03","90","","6014","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Dy I10 O8 S8 -","- C16 H48 Ag7 Dy I10 O8 S8 -","- C64 H192 Ag28 Dy4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0594","0.0339","","","0.0806","0.0991","","","","","","1.127","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229740","18.8501","0.0004","14.1221","0.0003","7.4387","0.0002","90","","90","","90","","1980.2","0.08","298","","298","","","","","","","","","7","I m m m","-I 2 2","71","As_made_FER","","","- C1.68 H1.9 Al0.17 N0.34 Na0.17 O9 Si4.33 -","- C1.75 H1.8994 Al0.16605 N0.34968 Na0.1662 O9 Si4.33395 -","- C14 H15.1952 Al1.3284 N2.79744 Na1.3296 O72 Si34.6716 -","8","0.5","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","'CuKalpha1'","","","","","","","","","0.0228","3.256","","","","","","","has coordinates","229012","2020-10-21","18:00:00",""
"7229741","18.7891","0.0005","14.0936","0.0003","7.4327","0.0002","90","","90","","90","","1968.22","0.09","298","","298","","","","","","","","","6","I m m m","-I 2 2","71","H_FER_Py","zeolite","","- C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67 -","- C0.9378 H1.1875 Al0.3321 N0.1872 O18.562 Si8.6679 -","- C3.7512 H4.75 Al1.3284 N0.7488 O74.248 Si34.6716 -","4","0.25","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","CuKalpha1","","","","","","","","","0.02529","5.215","","","","","","","has coordinates,has disorder","229012","2020-10-21","18:00:00",""
"7229742","6.1256","0.0012","7.9158","0.0016","9.5663","0.0019","90","","103.29","0.03","90","","451.44","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.037","0.0314","","","0.0728","0.0761","","","","","","1.037","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229743","6.25","0.012","8.164","0.016","9.64","0.02","90","","101.49","0.04","90","","482","1.7","363","2","363","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.2346","0.191","","","0.4587","0.4877","","","","","","1.011","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229744","6.0331","0.0012","7.8583","0.0016","9.5127","0.0019","90","","103.67","0.03","90","","438.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.056","0.045","","","0.0996","0.1054","","","","","","1.06","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229745","6.149","0.018","8.012","0.002","9.507","0.003","90","","101.19","0.02","90","","459.5","1.4","368","2","368","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.3247","0.2759","","","0.5531","0.5892","","","","","","1.075","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229746","21.813","0.004","23.683","0.005","28.76","0.006","90","","100.81","0.03","90","","14594","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58.5 H55 Cu Dy F30 N4 O16 -","- C55 H47 Cu Dy F30 N4 O16 -","- C440 H376 Cu8 Dy8 F240 N32 O128 -","8","2","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.059","0.0457","","","0.1448","0.1606","","","","","","1.058","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229747","19.99","0.004","20.024","0.003","21.706","0.004","91.033","0.001","107.294","0.002","114.857","0.002","7424","2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H97 Cu Dy3 F66 N8 O35 -","- C115 H95 Cu Dy3 F66 N8 O34 -","- C230 H190 Cu2 Dy6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0686","0.0539","","","0.127","0.142","","","","","","0.996","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229748","19.935","0.007","19.977","0.007","21.785","0.007","107.398","0.005","90.257","0.005","114.428","0.005","7455","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 Ho3 N8 O34 -","- C119 H95 Cu F66 Ho3 N8 O34 -","- C238 H190 Cu2 F132 Ho6 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0682","0.0396","","","0.0855","0.1163","","","","","","1.01","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229749","20.257","0.004","43.633","0.008","20.173","0.004","90","","113.798","0.004","90","","16314","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Pr3 -","- C135 H103 Cu F66 N8 O34 Pr3 -","- C540 H412 Cu4 F264 N32 O136 Pr12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.073","0.058","","","0.1517","0.1638","","","","","","0.982","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229750","20.18","0.003","43.634","0.008","20.077","0.003","90","","113.362","0.003","90","","16229","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu Eu3 F66 N8 O34 -","- C135 H103 Cu Eu3 F66 N8 O34 -","- C540 H412 Cu4 Eu12 F264 N32 O136 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0539","0.0427","","","0.0938","0.0995","","","","","","1.04","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229751","20.197","0.003","43.511","0.006","20.091","0.003","90","","113.503","0.003","90","","16191","4","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Sm3 -","- C135 H103 Cu F66 N8 O34 Sm3 -","- C540 H412 Cu4 F264 N32 O136 Sm12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0653","0.053","","","0.1455","0.155","","","","","","0.997","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229752","19.914","0.004","19.939","0.004","21.671","0.004","90.024","0.001","107.316","0.002","114.248","0.003","7415","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 N8 O34 Yb3 -","- C119 H95 Cu F66 N8 O34 Yb3 -","- C238 H190 Cu2 F132 N16 O68 Yb6 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0561","0.0441","","","0.0883","0.0941","","","","","","1.003","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229753","19.923","0.004","19.96","0.004","21.718","0.004","90.187","0.002","107.28","0.002","114.422","0.002","7429","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu Er3 F66 N8 O34 -","- C119 H95 Cu Er3 F66 N8 O34 -","- C238 H190 Cu2 Er6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0752","0.0601","","","0.1574","0.1702","","","","","","0.981","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229756","8.4013","0.0017","16.424","0.003","13.536","0.003","90","","104.34","0.03","90","","1809.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H61 Cl N2 O7 S -","- C33 H61 Cl N2 O7 S -","- C66 H122 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0647","0.048","","","0.0832","0.0903","","","","","","1.018","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229757","8.3555","0.0017","16.471","0.003","13.319","0.003","90","","105.13","0.03","90","","1769.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H59 Cl N2 O7 S -","- C32 H59 Cl N2 O7 S -","- C64 H118 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0595","0.0436","","","0.0926","0.1005","","","","","","0.964","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229758","7.722","0.003","10.406","0.004","10.43","0.004","104.916","0.004","103.692","0.004","100.579","0.004","759.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N O8 -","- C14 H16 Cu N O8 -","- C28 H32 Cu2 N2 O16 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.068","0.0499","","","0.1287","0.1385","","","","","","1.101","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229759","25.368","0.005","16.9","0.003","14.759","0.004","90","","96.855","0.003","90","","6282","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H45.01 Cu5 N4 O24 -","- C56 H45.014 Cu5 N4 O24 -","- C224 H180.056 Cu20 N16 O96 -","4","0.5","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.195","0.0777","","","0.1918","0.2358","","","","","","0.943","","","","has coordinates,has disorder","228955","2020-10-21","18:00:00",""
"7229760","7.7303","0.0009","10.2721","0.0012","19.828","0.002","100.406","0.001","93.79","0.001","99.123","0.001","1521.7","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cu2 N2 O16 -","- C28 H32 Cu2 N2 O16 -","- C56 H64 Cu4 N4 O32 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.0578","0.0399","","","0.1037","0.1113","","","","","","1.044","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229766","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0831","0.0894","","","","","","1.066","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229767","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.02","0.014","","","","0.012","","","","","","1.285","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229768","7.9966","0.0005","9.5422","0.0007","15.2152","0.0008","90","","97.623","0.006","90","","1150.74","0.13","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br2 N2 Ni O4 -","- C20 H22 Br2 N2 Ni O4 -","- C40 H44 Br4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0812","0.0463","","","0.1076","0.1204","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229769","6.1501","0.0004","8.7162","0.0007","10.796","0.0008","100.733","0.006","97.813","0.006","101.437","0.007","548.26","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","x-ray","0.71073","MoKα","","0.0439","0.033","","","0.077","0.0818","","","","","","1.052","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229770","6.3212","0.0005","8.9502","0.0007","10.0197","0.0008","100.977","0.007","100.919","0.007","99.073","0.006","535.27","0.08","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0498","0.0388","","","0.0813","0.0859","","","","","","1.061","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229771","6.329","0.0005","8.9473","0.0006","10.2742","0.0007","100.396","0.006","101.149","0.007","100.044","0.006","548.09","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.049","0.0354","","","0.0807","0.0864","","","","","","1.032","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229772","9.1894","0.0002","9.987","0.0003","13.4819","0.0005","73.422","0.003","71.424","0.003","85.191","0.002","1124.05","0.06","296","3","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 N2 Ni O4 -","- C20 H22 Cl2 N2 Ni O4 -","- C40 H44 Cl4 N4 Ni2 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0438","0.0336","","","0.083","0.0882","","","","","","1.041","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229773","8.0225","0.0002","9.6265","0.0002","15.4896","0.0003","90","","96.406","0.002","90","","1188.77","0.05","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I2 N2 Ni O4 -","- C20 H22 I2 N2 Ni O4 -","- C40 H44 I4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0407","0.0352","","","0.0881","0.0921","","","","","","1.067","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229774","6.349","0.0003","9.2589","0.0005","10.2457","0.0004","102.659","0.005","100.162","0.004","98.163","0.004","568.11","0.05","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0349","0.0287","","","0.0623","0.0662","","","","","","1.065","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229775","7.9717","0.0005","9.7058","0.0004","15.4552","0.0005","90","","96.71","0.004","90","","1187.6","0.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co I2 N2 O4 -","- C20 H22 Co I2 N2 O4 -","- C40 H44 Co2 I4 N4 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0576","0.0423","","","0.1073","0.1168","","","","","","1.066","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229776","6.3513","0.0009","9.256","0.0011","10.3631","0.0008","102.241","0.008","100.737","0.009","98.708","0.011","573.27","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0467","0.0329","","","0.0765","0.0848","","","","","","1.046","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229777","9.0807","0.0005","10.2369","0.0006","13.0194","0.0008","74.91","0.005","74.027","0.005","86.362","0.005","1123.37","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 Co N2 O4 -","- C20 H22 Cl2 Co N2 O4 -","- C40 H44 Cl4 Co2 N4 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0459","0.0341","","","0.0829","0.089","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229778","6.4978","0.0005","8.85","0.0007","10.396","0.0005","100.254","0.005","101.706","0.005","99.895","0.007","562.47","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0468","0.0357","","","0.0794","0.0851","","","","","","1.079","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229779","6.3162","0.0004","8.8584","0.0008","10.1891","0.0005","99.706","0.006","101.645","0.005","100.278","0.007","536.88","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0428","0.0364","","","0.0926","0.0977","","","","","","1.075","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229780","6.3344","0.0004","9.028","0.0008","10.1145","0.0007","101.295","0.007","100.541","0.006","99.102","0.007","546.23","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0415","0.0312","","","0.0632","0.0675","","","","","","1.037","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229781","10.2118","0.0004","10.4135","0.0005","13.6583","0.0006","90","","90","","90","","1452.43","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.018","0.0161","","","0.0362","0.037","","","","","","1.067","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229782","10.2096","0.0007","10.4063","0.0007","13.6629","0.001","90","","90","","90","","1451.6","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.026","0.0203","","","0.037","0.0395","","","","","","1.129","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229783","34.885","0.007","6.497","0.0013","18.207","0.004","90","","94.73","0.03","90","","4112.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C200 H168 N24 O24 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.069","0.0467","","","0.1189","0.1285","","","","","","1.001","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229784","17.341","0.002","9.321","0.002","14.471","0.002","90","","111.962","0.004","90","","2169.3","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0726","0.0427","","","0.1072","0.1184","","","","","","0.986","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229785","9.728","0.0019","9.748","0.0019","12.153","0.002","103.57","0.03","98.82","0.03","99.79","0.03","1081.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C52 H46 N6 O8 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0581","0.0469","","","0.1364","0.1443","","","","","","1.112","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229786","6.868","0.002","8.175","0.002","18.128","0.004","81.203","0.01","86.414","0.007","86.137","0.01","1002.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0816","0.0549","","","0.1431","0.1602","","","","","","1.002","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229787","38.228","0.008","7.21","0.0014","16.916","0.003","90","","110.72","0.03","90","","4360.9","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C208 H184 N24 O32 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0967","0.0501","","","0.1163","0.1297","","","","","","0.9","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229788","10.0684","0.0006","3.758","0.0002","20.6855","0.0012","90","","91.012","0.005","90","","782.56","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.0781","0.0666","","","0.1784","0.2","","","","","","1.148","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229789","9.445","0.003","3.9293","0.0014","20.333","0.008","90","","93.987","0.016","90","","752.8","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1231","0.086","","","0.2242","0.2483","","","","","","1.066","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229790","5.775","0.004","20.795","0.007","6.653","0.003","90","","107.46","0.02","90","","762.2","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0879","0.0441","","","0.0907","0.116","","","","","","0.902","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229791","6.9111","0.0005","11.5037","0.0009","10.0653","0.0007","90","","104.659","0.008","90","","774.18","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1126","0.0857","","","0.2189","0.2711","","","","","","1.02","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229792","17.286","0.0018","6.1726","0.0008","7.0329","0.0008","90","","92.883","0.01","90","","749.46","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1004","0.0852","","","0.2345","0.2755","","","","","","1.116","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229793","16.87","0.004","3.7774","0.0007","12.01","0.003","90","","95.317","0.011","90","","762","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.073","0.0505","","","0.1457","0.2039","","","","","","1.093","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229794","4.5664","0.0015","11.438","0.003","14.923","0.005","90","","96.382","0.013","90","","774.6","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0539","0.0437","","","0.1183","0.1269","","","","","","1.045","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229795","4.621","0.0004","14.858","0.0014","11.0496","0.0009","90","","94.614","0.008","90","","756.19","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1031","0.0727","","","0.1846","0.2237","","","","","","1.063","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229796","15.229","0.016","3.914","0.003","13.287","0.011","90","","102.54","0.04","90","","773.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.127","0.0911","","","0.2369","0.2914","","","","","","1.069","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229797","35.4","0.02","3.766","0.002","11.682","0.008","90","","99.19","0.03","90","","1537.4","1.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C80 H48 F16 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1659","0.1308","","","0.3671","0.4232","","","","","","1.362","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229798","7.4234","0.0007","5.6728","0.0005","36.086","0.003","90","","95.003","0.008","90","","1513.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1574","0.0891","","","0.2245","0.2981","","","","","","1.049","","","","has coordinates,has disorder","229010","2020-10-21","18:00:00",""
"7229799","10.7743","0.0003","13.7731","0.0004","21.4829","0.0006","94.837","0.002","90.373","0.002","95.881","0.002","3159.52","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 Dy2 F12 N2 O12 -","- C64 H49 Dy2 F12 N2 O12 -","- C128 H98 Dy4 F24 N4 O24 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71","MoKα","","0.105","0.0679","","","0.1304","0.1459","","","","","","1.127","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229800","12.3258","0.0002","12.2533","0.0002","23.9816","0.0005","90","","97.764","0.002","90","","3588.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Dy2 N2 O11 -","- C80 H58 Dy2 N2 O11 -","- C160 H116 Dy4 N4 O22 -","2","0.5","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0722","0.0549","","","0.1337","0.1427","","","","","","1.216","","","","has coordinates,has disorder","229009","2020-10-21","18:00:00",""
"7229801","10.9106","0.0003","15.6456","0.0004","21.7835","0.0006","99.568","0.002","101.358","0.002","103.932","0.002","3448.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Dy2 N2 O11 -","- C64 H92 Dy2 N2 O11 -","- C128 H184 Dy4 N4 O22 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0641","0.0421","","","0.0982","0.1117","","","","","","1.068","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229802","14.5365","0.0011","15.8905","0.0011","17.8411","0.001","89.709","0.005","66.703","0.006","63.25","0.007","3304.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H56 Cl4 Dy2 N4 O9 -","- C72 H56 Cl4 Dy2 N4 O9 -","- C144 H112 Cl8 Dy4 N8 O18 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0935","0.055","","","0.1231","0.1526","","","","","","1.077","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229803","14.686","0.003","16.758","0.003","10.336","0.002","90","","104.78","0.03","90","","2459.6","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Pr -","- C26 H19 N2 O10 Pr -","- C104 H76 N8 O40 Pr4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0479","0.0416","","","0.1058","0.1107","","","","","","1.065","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229804","14.684","0.003","16.513","0.003","10.239","0.002","90","","104.63","0.03","90","","2402.2","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Gd N2 O10 -","- C26 H19 Gd N2 O10 -","- C104 H76 Gd4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0638","0.0512","","","0.1148","0.1226","","","","","","1.099","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229805","14.726","0.003","16.484","0.003","10.208","0.002","90","","104.47","0.03","90","","2399.3","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Tb -","- C26 H19 N2 O10 Tb -","- C104 H76 N8 O40 Tb4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0573","0.0456","","","0.1081","0.1152","","","","","","1.127","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229806","10.86","0.002","14.23","0.003","20.18","0.004","86.18","0.03","83.88","0.03","78.24","0.03","3032.5","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N2 O31 Sm4 -","- C54 H48 N2 O31 Sm4 -","- C108 H96 N4 O62 Sm8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0631","0.0466","","","0.1051","0.1173","","","","","","1.069","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229807","6.87","0.0014","13.86","0.003","17.71","0.003","88.64","0.03","79.67","0.03","84.36","0.03","1650.9","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C68 H56 N4 O34 Sm4 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.088","0.0804","","","0.1872","0.1901","","","","","","1.302","","","","has coordinates,has disorder","228961","2020-10-21","18:00:00",""
"7229808","14.672","0.003","16.543","0.003","10.243","0.002","90","","104.53","0.03","90","","2406.7","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Eu N2 O10 -","- C26 H19 Eu N2 O10 -","- C104 H76 Eu4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0463","0.0429","","","0.1046","0.1073","","","","","","1.042","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229809","10.85","0.002","14.04","0.003","19.95","0.004","86.5","0.03","83.4","0.03","78.89","0.03","2960","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Eu4 N2 O31.5 -","- C54 H49 Eu4 N2 O31.5 -","- C108 H98 Eu8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0536","0.0499","","","0.1212","0.1248","","","","","","1.039","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229810","14.708","0.003","16.437","0.003","10.219","0.002","90","","104.47","0.03","90","","2392.1","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Dy N2 O10 -","- C26 H19 Dy N2 O10 -","- C104 H76 Dy4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0569","0.0435","","","0.0954","0.1018","","","","","","1.115","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229811","6.965","0.0014","26.433","0.005","17.879","0.004","90","","97.9","0.03","90","","3260.4","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Tb2 -","- C34 H28 N2 O17 Tb2 -","- C136 H112 N8 O68 Tb8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0434","0.0352","","","0.08","0.0849","","","","","","1.064","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229812","10.84","0.002","14.12","0.003","20.07","0.004","86.59","0.03","83.7","0.03","78.88","0.03","2993.7","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Ho4 N2 O31.5 -","- C54 H49 Ho4 N2 O31.5 -","- C108 H98 Ho8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0439","0.0398","","","0.0994","0.1024","","","","","","1.027","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229813","10.85","0.002","14.18","0.003","20.18","0.004","86.61","0.03","83.77","0.03","78.89","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Gd4 N2 O31.5 -","- C54 H49 Gd4 N2 O31.5 -","- C108 H98 Gd8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0483","0.0424","","","0.1064","0.1112","","","","","","1.055","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229814","6.981","0.0014","26.527","0.005","17.919","0.004","90","","97.89","0.03","90","","3286.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Eu2 N2 O17 -","- C34 H28 Eu2 N2 O17 -","- C136 H112 Eu8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0356","0.0309","","","0.071","0.0737","","","","","","1.09","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229815","6.98","0.0014","13.54","0.003","17.99","0.004","91.02","0.03","98.04","0.03","102.72","0.03","1640.1","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Gd2 N2 O17 -","- C34 H28 Gd2 N2 O17 -","- C68 H56 Gd4 N4 O34 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0581","0.0432","","","0.0961","0.1056","","","","","","1.053","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229816","10.86","0.002","14.21","0.003","20.13","0.004","86.63","0.03","83.76","0.03","78.72","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 N2 O31.5 Tb4 -","- C54 H47 N2 O31.5 Tb4 -","- C108 H94 N4 O63 Tb8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0444","0.0404","","","0.0894","0.0922","","","","","","0.936","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229817","10.83","0.002","14.13","0.003","20.07","0.004","86.1","0.03","83.59","0.03","78.31","0.03","2985.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Dy4 N2 O31 -","- C54 H48 Dy4 N2 O31 -","- C108 H96 Dy8 N4 O62 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0469","0.0424","","","0.1061","0.1092","","","","","","1.008","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229818","7.017","0.0014","26.637","0.005","18.062","0.004","90","","98.27","0.03","90","","3340.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C136 H112 N8 O68 Sm8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0753","0.0679","","","0.1513","0.154","","","","","","1.226","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229819","6.961","0.0014","26.303","0.005","17.797","0.004","90","","97.86","0.03","90","","3227.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Dy2 N2 O17 -","- C34 H28 Dy2 N2 O17 -","- C136 H112 Dy8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0721","0.0544","","","0.1266","0.1425","","","","","","1.06","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229820","11.2207","0.0003","6.68473","0.00016","11.9906","0.0003","90","","98.8862","0.0008","90","","888.59","0.04","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","- C8 H6 Ca O5 -","- C8 H6 Ca O5 -","- C32 H24 Ca4 O20 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.144","2.19","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229821","7.1114","0.0002","21.6561","0.0009","6.5925","0.0003","90","","92.208","0.005","90","","1014.53","0.07","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.747","3","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229822","13.9823","0.0007","6.6512","0.0002","9.5748","0.0003","90","","112.361","0.003","90","","823.49","0.06","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate","Ca-Phthalate","Ca-Phthalate","- C8 H4 Ca O4 -","- C8 H4 Ca O4 -","- C32 H16 Ca4 O16 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.344","4.72","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229823","15.5899","0.0007","21.4477","0.0012","17.1872","0.0008","90","","111.848","0.003","90","","5334.1","0.5","293","","293","2","","","","","","","Mechanochemical synthesis","4","C 1 2/c 1","-C 2yc","15","Ca-Isophthalate","","Ca-Isophthalate","- C8 H4 Ca O7.4 -","- C8 H4 Ca O7.4 -","- C160 H80 Ca20 O148 -","20","2.5","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.566","1.25","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229824","18.6509","0.0014","18.6509","0.0014","12.2593","0.0019","90","","90","","90","","4264.5","0.8","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C56 H88 Cu8 I8 N8 O64 Tb8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0803","0.0694","","","0.2145","0.2222","","","","","","1.063","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229825","18.529","0.004","18.529","0.004","12.303","0.002","90","","90","","90","","4223.9","1.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C56 H88 Cu8 I8 N8 O64 Y8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0631","0.0537","","","0.1746","0.1808","","","","","","1.005","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229826","18.621","0.0009","18.621","0.0009","12.3194","0.0012","90","","90","","90","","4271.6","0.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C56 H88 Cu8 Eu8 I8 N8 O64 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0768","0.0697","","","0.2167","0.2223","","","","","","1.061","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229827","16.25176","0.00016","16.25176","0.00016","16.6475","0.0003","90","","90","","90","","4396.93","0.1","173","0.1","173","0.1","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C48 H32 N6 O8 S Zn2 -","- C48 H32 N6 O8 S1.002 Zn2 -","- C192 H128 N24 O32 S4.008 Zn8 -","4","0.25","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0998","0.1021","","","","","","1.054","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229828","14.8009","0.0003","24.9586","0.0004","15.8871","0.0003","90","","109.897","0.0019","90","","5518.5","0.19","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C225 H197 N27 O51 S4 Zn8 -","4","1","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0391","0.0366","","","0.1023","0.1043","","","","","","1.06","","","","has coordinates","228960","2020-10-21","18:00:00",""
"7229829","13.3978","0.0006","14.469","0.0008","15.9117","0.0005","95.51","0.004","104.353","0.004","116.956","0.005","2584.9","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C116 H78 N12 O22 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","1","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","","1.54184","CuKα","","0.1074","0.0888","","","0.2333","0.2729","","","","","","1.044","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229830","13.5045","0.0003","23.0471","0.0004","15.8666","0.0004","90","","114.098","0.003","90","","4507.9","0.2","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 N4 O12 S3 Zn2 -","- C48 H30 N4 O12 S3 Zn2 -","- C192 H120 N16 O48 S12 Zn8 -","4","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0571","0.0505","","","0.1252","0.1292","","","","","","1.127","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229833","8.0788","0.0004","9.6116","0.0005","15.109","0.0008","96.069","0.005","93.599","0.004","108.477","0.005","1100.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Mn N3 O7 -","- C26 H17 Mn N3 O7 -","- C52 H34 Mn2 N6 O14 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0719","0.046","","","0.0806","0.0907","","","","","","1.022","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229834","20.3749","0.0019","7.5106","0.0006","16.0252","0.0015","90","","124.774","0.014","90","","2014.3","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Mn N5 O8 -","- C20 H17 Mn N5 O8 -","- C80 H68 Mn4 N20 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0463","","","0.082","0.0915","","","","","","1.004","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229835","7.7854","0.0005","13.5993","0.0011","14.8167","0.001","110.658","0.007","98.024","0.006","99.705","0.006","1412.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","1","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0669","0.0483","","","0.1155","0.129","","","","","","1.002","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229836","14.2351","0.0004","10.6253","0.0003","15.7359","0.0004","90","","98.541","0.002","90","","2353.69","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 N6 O18 Zn3 -","- C52 H40 N6 O18 Zn3 -","- C104 H80 N12 O36 Zn6 -","2","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0421","","","0.0952","0.1074","","","","","","1.021","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229837","14.3761","0.0017","12.3797","0.0014","19.691","0.002","90","","102.829","0.01","90","","3417","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 N5 Ni O10 -","- C38 H31 N5 Ni O10 -","- C152 H124 N20 Ni4 O40 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1676","0.0828","","","0.1942","0.2622","","","","","","1.037","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229838","10.2513","0.0008","14.1783","0.0011","27.31","0.002","88.503","0.006","85.396","0.006","84.24","0.007","3936","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cu3.5 N11 O23 -","- C90 H62 Cu3.5 N11 O23 -","- C180 H124 Cu7 N22 O46 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1584","0.0779","","","0.1065","0.1371","","","","","","1.129","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229839","16.2136","0.0005","9.0346","0.0003","21.3033","0.0006","90","","107.852","0.003","90","","2970.33","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 Ni O8 -","- C24 H19 N3 Ni O8 -","- C96 H76 N12 Ni4 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0786","0.0626","","","0.2","0.217","","","","","","1.07","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229840","8.0133","0.0009","37.244","0.004","6.9698","0.0008","90","","92.806","0.002","90","","2077.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22.31 F N3 O7.16 -","- C21 H22.31 F N3 O7.155 -","- C84 H89.24 F4 N12 O28.62 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0545","0.0427","","","0.1072","0.115","","","","","","1.025","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229841","8.1127","0.0008","9.6281","0.0009","27.38","0.003","90","","93.525","0.002","90","","2134.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F N3 O9 -","- C20 H26 F N3 O9 -","- C80 H104 F4 N12 O36 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0613","0.0392","","","0.081","0.0898","","","","","","1.021","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229842","6.7869","0.0004","9.3544","0.0006","15.73","0.0009","93.6351","0.0009","92.6297","0.0009","110.917","0.0009","928.45","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","1","0.5","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0418","0.0359","","","0.0985","0.1034","","","","","","1.04","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229852","8.5564","0.0004","12.4605","0.0005","17.046","0.0007","79.561","0.002","85.274","0.002","71.155","0.002","1690.95","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-aminoheptafluoronaphthalene 18-crown-6 2:1 associate","","- C32 H28 F14 N2 O6 -","- C32 H28 F14 N2 O6 -","- C64 H56 F28 N4 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0592","0.0357","","","0.1128","0.1466","","","","","","1.028","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229853","9.2488","0.0004","9.8098","0.0005","9.8855","0.0005","105.139","0.003","105.804","0.003","114.814","0.002","707.24","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","pentafluoroaniline 18-crown-6 2:1 associate","","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0805","0.0584","","","0.1752","0.204","","","","","","0.965","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229854","6.1047","0.0007","13.2859","0.0011","7.4684","0.0009","90","","94.767","0.006","90","","603.64","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminotetrafluoropyridine","","- C5 H2 F4 N2 -","- C5 H2 F4 N2 -","- C20 H8 F16 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.052","0.0416","","","0.1498","0.1678","","","","","","0.997","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229855","14.55","0.012","11.592","0.012","34.58","0.03","90","","90.11","0.03","90","","5832","9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-cyano-2,3,5,6-tetrafluoroaniline 18-crown-6 2:1 associate","","- C26 H28 F8 N4 O6 -","- C26 H27.532 F8 N4 O6 -","- C208 H220.256 F64 N32 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.1935","0.151","","","0.4463","0.4817","","","","","","1.903","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229856","18.5893","0.0006","9.6007","0.0003","16.5096","0.0005","90","","116.454","0.001","90","","2637.95","0.14","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5,6-tetrafluoropyridine and 18-crown-6 2:1 associate","","- C22 H28 F8 N4 O6 -","- C22 H28 F8 N4 O6 -","- C88 H112 F32 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0707","0.0546","","","0.1307","0.1435","","","","","","1.054","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229857","8.5736","0.0003","9.9242","0.0004","10.1058","0.0005","117.412","0.002","103.573","0.002","100.167","0.002","700.49","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-tetrafluoroaniline and 18-crown-6 2:1 associate","","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0658","0.0517","","","0.1534","0.1738","","","","","","0.928","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229861","11.4313","0.0003","14.6649","0.0003","12.9413","0.0004","90","","102.751","0.003","90","","2115.96","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cd N4 O8 -","- C18 H19 Cd N4 O8 -","- C72 H76 Cd4 N16 O32 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.063","0.0411","","","0.076","0.0844","","","","","","1.005","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229862","9.24","0.002","9.716","0.003","11.092","0.005","100.29","0.03","90.03","0.02","100.76","0.02","962","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.2304","0.1235","","","0.2738","0.339","","","","","","1.013","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229863","17.9994","0.0003","17.9994","0.0003","28.3709","0.0007","90","","90","","90","","9191.6","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 N5 O7 Zn -","- C23 H23 N5 O7 Zn -","- C368 H368 N80 O112 Zn16 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0331","0.0277","","","0.0608","0.0634","","","","","","1.054","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229864","30.7094","0.0013","7.0123","0.0003","7.4215","0.0004","90","","90","","90","","1598.17","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0636","0.0468","","","0.1106","0.1231","","","","","","1.019","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229865","14.4827","0.0003","10.716","0.0002","18.3369","0.0004","90","","98.401","0.0019","90","","2815.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cd N7 O9 -","- C25 H31 Cd N7 O9 -","- C100 H124 Cd4 N28 O36 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0588","0.0389","","","0.0648","0.0715","","","","","","0.998","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229866","18.3535","0.0007","18.3535","0.0007","28.847","0.0013","90","","90","","90","","9717.1","0.7","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 Cd N5 O7 -","- C23 H23 Cd N5 O7 -","- C368 H368 Cd16 N80 O112 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0405","0.0328","","","0.0799","0.0855","","","","","","1.02","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229867","9.1569","0.0003","9.3193","0.0005","14.7832","0.0007","74.014","0.005","81.153","0.004","79.432","0.004","1185.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0677","0.0466","","","0.061","0.0685","","","","","","0.999","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229868","31.0771","0.0015","7.1271","0.0004","7.6076","0.0004","90","","90","","90","","1685","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0829","0.0478","","","0.064","0.0724","","","","","","0.994","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229869","7.1206","0.0002","30.8546","0.0013","7.4367","0.0002","90","","90.534","0.003","90","","1633.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.064","0.0587","","","0.1584","0.1609","","","","","","1.088","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229870","31.782","0.002","7.0949","0.0005","7.3953","0.0005","90","","90","","90","","1667.57","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O6 S Zn -","- C12 H17 N3 O6 S Zn -","- C48 H68 N12 O24 S4 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0581","0.0454","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229871","7.2332","0.0003","29.3496","0.001","7.6871","0.0003","90","","94.263","0.003","90","","1627.39","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0447","0.0337","","","0.0643","0.0691","","","","","","1.062","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229872","6.0843","0.0004","13.0084","0.0006","23.5288","0.0012","97.915","0.004","95.39","0.005","95.166","0.004","1826.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cd N2 O8 -","- C14 H22 Cd N2 O8 -","- C56 H88 Cd4 N8 O32 -","4","2","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0492","0.0336","","","0.0598","0.0663","","","","","","0.979","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229873","14","0.0012","23.672","0.002","26.421","0.002","90","","92.048","0.002","90","","8750.5","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H77 Cd4 O54.5 -","- C92 H77 Cd4 O54.5 -","- C368 H308 Cd16 O218 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0447","0.0358","","","0.0928","0.0985","","","","","","1.027","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229874","16.495","0.003","10.1203","0.0019","20.613","0.004","90","","95.377","0.004","90","","3425.9","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Cd N3 O12.5 -","- C29 H35 Cd N3 O12.5 -","- C116 H140 Cd4 N12 O50 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.1254","0.0777","","","0.2215","0.2788","","","","","","1.041","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229875","31.84","0.01","13.478","0.004","19.854","0.006","90","","91.365","0.006","90","","8518","4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd2 N O11 -","- C27 H18 Cd2 N O11 -","- C216 H144 Cd16 N8 O88 -","8","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0733","0.0589","","","0.1526","0.1603","","","","","","1.044","","","","has coordinates","228991","2020-10-21","18:00:00",""
"7229888","9.1829","0.0005","25.6141","0.0016","18.5826","0.0012","90","","99.823","0.002","90","","4306.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-formic acid solvate","","- C112 H88 N8 O12 -","- C112 H88 N8 O12 -","- C224 H176 N16 O24 -","2","0.5","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.2024","0.0884","","","0.2102","0.2595","","","","","","1.024","","","","has coordinates,has disorder","228959","2020-10-21","18:00:00",""
"7229889","10.5529","0.0018","25.439","0.005","8.9279","0.0015","90","","90","","90","","2396.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-propanoic acid solvate","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.0782","0.0429","","","0.0915","0.103","","","","","","1.016","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229890","9.3054","0.0009","28.633","0.003","15.6531","0.0016","90","","103.437","0.003","90","","4056.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","2","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.1595","0.0629","","","0.1346","0.1688","","","","","","1.01","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229901","7.8201","0.0016","8.318","0.0017","11.36","0.002","91.58","0.03","92.89","0.03","116.34","0.03","660.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0493","0.039","","","0.1069","0.1146","","","","","","1.057","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229902","17.887","0.002","7.0953","0.0009","23.419","0.003","90","","90","","90","","2972.2","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O4 -","- C14 H20 N4 O4 -","- C112 H160 N32 O32 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0492","0.0382","","","0.0945","0.1019","","","","","","1.026","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229903","30.274","0.003","6.7982","0.0007","14.2368","0.0014","90","","115.727","0.002","90","","2639.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O4.5 -","- C12 H19 N2 O4.5 -","- C96 H152 N16 O36 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0491","0.0428","","","0.1164","0.1223","","","","","","1.04","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229904","9.8016","0.0014","10.7859","0.0015","11.3248","0.0016","70.022","0.003","78.358","0.003","86.692","0.003","1102","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N6 O7 -","- C22 H24 N6 O7 -","- C44 H48 N12 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0768","0.054","","","0.1374","0.1519","","","","","","1.047","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229905","8.3765","0.001","8.4985","0.001","12.2641","0.0014","79.403","0.002","76.928","0.002","80.829","0.002","829.58","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N4 O7 -","- C15 H20 N4 O7 -","- C30 H40 N8 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0431","0.0385","","","0.1065","0.1108","","","","","","1.04","","","","has coordinates,has disorder","218546","2020-10-21","18:00:00",""
"7229906","25.812","0.002","10.0083","0.0009","11.1713","0.001","90","","99.7","0.002","90","","2844.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N2 O4.5 -","- C14 H21 N2 O4.5 -","- C112 H168 N16 O36 -","8","2","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.064","0.0518","","","0.129","0.1361","","","","","","1.054","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229907","7.3089","0.0006","7.3878","0.0006","10.8979","0.0009","94.198","0.001","90.084","0.002","98.051","0.001","581.05","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0374","0.0346","","","0.0975","0.1004","","","","","","1.042","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229908","19.046","0.002","7.1278","0.0008","15.6486","0.0018","90","","113.193","0.002","90","","1952.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0705","0.0446","","","0.1035","0.1168","","","","","","1.039","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229909","7.1376","0.0004","9.5383","0.0005","16.6511","0.0009","98.339","0.001","101.009","0.001","108.288","0.001","1030.69","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N3 O4 -","- C26 H20 N3 O4 -","- C52 H40 N6 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0501","0.0399","","","0.1025","0.1084","","","","","","1.068","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229910","15.286","0.003","9.921","0.002","19.852","0.004","90","","108.46","0.03","90","","2855.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Co N6 O8 -","- C28 H26 Co N6 O8 -","- C112 H104 Co4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.0822","0.0511","","","0.1051","0.1151","","","","","","1.038","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229911","15.276","0.003","9.993","0.002","19.942","0.004","90","","108.46","0.03","90","","2887.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Fe N6 O8 -","- C28 H26 Fe N6 O8 -","- C112 H104 Fe4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.1177","0.068","","","0.12","0.1337","","","","","","1.1","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229912","9.765","0.0003","25.1863","0.0009","18.985","0.0007","90","","104.254","0.001","90","","4525.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1383","0.0876","","","0.2192","0.2858","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229913","9.7912","0.0002","25.4967","0.0008","19.1789","0.0005","90","","104.291","0.001","90","","4639.7","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0647","","","0.1651","0.2279","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229914","9.8071","0.0002","25.6011","0.0007","19.2577","0.0005","90","","104.347","0.001","90","","4684.3","0.2","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1653","0.0703","","","0.1864","0.2595","","","","","","1.061","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229915","9.7994","0.0002","25.5488","0.0007","19.2173","0.0005","90","","104.313","0.001","90","","4662","0.2","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1578","0.0683","","","0.1839","0.2543","","","","","","1.066","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229916","9.777","0.0003","25.3964","0.001","19.1058","0.0007","90","","104.272","0.001","90","","4597.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1337","0.0613","","","0.149","0.2041","","","","","","1.051","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229917","9.7754","0.0003","25.3489","0.0008","19.0721","0.0006","90","","104.284","0.001","90","","4579.9","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0898","","","0.2265","0.3061","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229918","9.7836","0.0002","25.4438","0.0008","19.1399","0.0006","90","","104.278","0.001","90","","4617.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1359","0.0639","","","0.1606","0.2171","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229919","9.8177","0.001","25.66","0.003","19.305","0.002","90","","104.384","0.004","90","","4710.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1592","0.0727","","","0.2049","0.2735","","","","","","1.035","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229920","9.7661","0.0003","25.2392","0.0008","19.0103","0.0006","90","","104.274","0.001","90","","4541.2","0.2","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1366","0.0888","","","0.2262","0.2896","","","","","","1.037","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229921","9.7654","0.0004","25.1269","0.0011","18.9626","0.0008","90","","104.199","0.001","90","","4510.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1321","0.0886","","","0.2249","0.2833","","","","","","1.033","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229922","9.7703","0.0003","25.2982","0.0008","19.0409","0.0006","90","","104.279","0.001","90","","4561","0.2","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1425","0.0896","","","0.2229","0.2952","","","","","","1.02","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229927","8.723","0.0015","14.244","0.002","16.507","0.003","90","","100.782","0.003","90","","2014.8","0.6","193","1","193","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br4 Hg2 N4 O -","- C13 H12 Br4 Hg2 N4 O -","- C52 H48 Br16 Hg8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0447","0.0323","","","0.0734","0.0776","","","","","","1.023","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229928","9.4971","0.001","19.796","0.002","9.2661","0.001","90","","96.913","0.01","90","","1729.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Hg I2 N4 O -","- C13 H12 Hg I2 N4 O -","- C52 H48 Hg4 I8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71069","MoKα","","0.0352","0.0254","","","0.0753","0.0779","","","","","","1.055","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229929","10.8009","0.001","15.013","0.0013","11.3474","0.001","90","","108.659","0.002","90","","1743.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br Hg N4 O -","- C18 H13 Br Hg N4 O -","- C72 H52 Br4 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0876","0.0758","","","0.2154","0.2184","","","","","","1.974","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229930","10.7093","0.001","15.1214","0.0014","11.4424","0.0011","90","","110.275","0.001","90","","1738.2","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Hg I N4 O -","- C18 H13 Hg I N4 O -","- C72 H52 Hg4 I4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0491","0.0365","","","0.0749","0.0799","","","","","","1.026","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229931","9.9325","0.0018","10.233","0.002","12.755","0.003","91.65","0.02","110.98","0.02","106.46","0.02","1148.5","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Hg I2 N4 O2 -","- C19 H18 Hg I2 N4 O2 -","- C38 H36 Hg2 I4 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.1182","0.0622","","","0.1458","0.1577","","","","","","0.825","","","","has coordinates,has disorder","228937","2020-10-21","18:00:00",""
"7229939","11.71759","0.00015","11.71759","0.00015","9.48728","0.00013","90","","90","","120","","1128.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 32","P 32","145","11-Azaart","11-azaartemisinin","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C45 H69 N3 O12 -","3","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0579","0.0582","","","","","","1.016","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229940","9.64312","0.00019","9.3622","0.0002","22.8165","0.0004","90","","90.9437","0.0018","90","","2059.61","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Ben","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","2","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0403","0.0348","","","0.0785","0.0818","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229941","9.79451","0.00014","9.30687","0.00013","11.51291","0.00016","90","","92.307","0.0012","90","","1048.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Sal","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C44 H58 N2 O14 -","2","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0674","0.068","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229942","17.9674","0.0007","10.3025","0.0004","9.3723","0.0007","90","","90","","90","","1734.9","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Succ","","","- C34 H52 N2 O12 -","- C34 H52 N2 O12 -","- C68 H104 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0519","0.0455","","","0.1131","0.1171","","","","","","1.001","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229943","10.00907","0.0001","10.09992","0.0001","20.9254","0.0002","90","","90","","90","","2115.37","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Man","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0573","0.0576","","","","","","1","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229944","17.7811","0.0003","10.3174","0.0002","9.49693","0.00015","90","","90","","90","","1742.26","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:L-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C68 H104 N4 O26 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0268","0.0258","","","0.0743","0.0752","","","","","","1.002","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229945","17.5836","0.0007","10.3594","0.0004","9.9524","0.0003","90","","90","","90","","1812.88","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Pim","","","- C37 H58 N2 O12 -","- C37 H58 N2 O12 -","- C74 H116 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0342","0.0312","","","0.0715","0.0729","","","","","","1.027","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229946","10.43733","0.00012","18.04445","0.00019","18.6345","0.0002","90","","90","","90","","3509.54","0.07","99.97","0.1","99.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C136 H208 N8 O52 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0298","0.0284","","","0.0715","0.0725","","","","","","1.001","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229947","15.8663","0.0005","9.3487","0.0003","18.1863","0.0006","90","","116.073","0.001","90","","2423.04","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr Gd N8 O7 -","- C16 H20 Cr Gd N8 O7 -","- C64 H80 Cr4 Gd4 N32 O28 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0232","0.0194","","","0.0484","0.092","","","","","","1.388","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229948","15.8439","0.0018","9.3305","0.0011","18.178","0.002","90","","116.069","0.003","90","","2413.9","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr N8 O7 Tb -","- C16 H20 Cr N8 O7 Tb -","- C64 H80 Cr4 N32 O28 Tb4 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0771","0.0504","","","0.1","0.1496","","","","","","1.301","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229950","5.224","0.003","6.014","0.004","36.61","0.02","87.3","0.014","87.39","0.013","81.545","0.014","1135.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.0939","0.0654","","","0.1331","0.1426","","","","","","1.067","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229951","20.997","0.003","6.1061","0.0009","9.6195","0.0014","90","","95.637","0.005","90","","1227.3","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1118","0.099","","","0.2565","0.2685","","","","","","1.11","","","","has coordinates,has disorder","229073","2020-10-21","18:00:00",""
"7229952","10.2301","0.0019","10.609","0.002","17.283","0.003","75.429","0.015","74.117","0.015","79.223","0.016","1732","0.6","213.5","0.1","213.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","x-ray","1.54184","CuKα","","0.1749","0.0802","","","0.1333","0.1934","","","","","","1.053","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229953","5.1859","0.0007","43.799","0.005","10.7366","0.0015","90","","104.691","0.012","90","","2359","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N6 O4 S -","- C23 H24 N6 O4 S -","- C92 H96 N24 O16 S4 -","4","1","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1654","0.0882","","","0.2056","0.2634","","","","","","1.056","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229954","19.0093","0.0009","19.6552","0.0009","19.068","0.0006","90","","107.888","0.001","90","","6780","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Mn N O7 S4 -","- C29 H39 Mn N O7 S4 -","- C232 H312 Mn8 N8 O56 S32 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1127","0.0634","","","0.1606","0.189","","","","","","1.028","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229955","18.6752","0.001","19.4783","0.001","19.3185","0.0009","90","","108.722","0.002","90","","6655.5","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 O6 S4 Zn -","- C26 H32 O6 S4 Zn -","- C208 H256 O48 S32 Zn8 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1191","0.0833","","","0.2075","0.2273","","","","","","1.114","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229956","24.4001","0.0012","45.643","0.003","19.8706","0.001","90","","122.247","0.002","90","","18716.4","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 Co2 N6 O13 S8 -","- C81 H94 Co2 N6 O13 S8 -","- C648 H752 Co16 N48 O104 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2334","0.1025","","","0.2683","0.2991","","","","","","1.021","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229957","24.5031","0.0008","45.605","0.002","19.9347","0.0009","90","","122.298","0.001","90","","18829.7","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C646 H746 N50 Ni16 O92 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2185","0.1203","","","0.2951","0.3364","","","","","","1.013","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229958","23.1233","0.0011","19.3037","0.001","21.8209","0.0012","90","","106.95","0.002","90","","9317","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H100 Mn2 N8 O11 S8 -","- C90 H100 Mn2 N8 O11 S8 -","- C360 H400 Mn8 N32 O44 S32 -","4","0.5","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.0838","0.0598","","","0.1586","0.1735","","","","","","1.165","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229959","15.6172","0.0011","25.956","0.002","22.5235","0.001","90","","92.578","0.002","90","","9120.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C305 H330 N22 O35 S32 Zn8 -","4","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1505","0.0815","","","0.2212","0.2472","","","","","","1.039","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229960","15.4566","0.0007","10.6707","0.0005","16.0942","0.0007","90","","115.744","0.002","90","","2390.99","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","e{N(CH2CH2)2N}2C60?3I2?CS2?C6H6","","- C72 H19 I4 N4 S2 -","- C72 H19 I4 N4 S2 -","- C144 H38 I8 N8 S4 -","2","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","0.7749","synchrotron","","0.0502","0.0369","","","0.0869","0.0927","","","","","","1.055","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229961","15.8849","0.0008","18.9471","0.001","19.6812","0.0018","90","","90.063","0.002","90","","5923.5","0.7","90","2","90","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","{(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2","","","- C80.5 H34 N4 O12 Rh3 S -","- C80.5 H34 N4 O12 Rh3 S -","- C322 H136 N16 O48 Rh12 S4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","1.54178","CuKα","","0.0799","0.0762","","","0.2016","0.2055","","","","","","1.154","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229962","7.339","0.005","14.815","0.005","11.777","0.005","90","","97.495","0.005","90","","1269.5","1.1","133","2","133","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HL30a","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.144","0.0757","","","0.1826","0.2103","","","","","","0.921","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229963","25.029","0.005","4.211","0.005","28.823","0.005","90","0.005","129.016","0.005","90","0.005","2360","3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","HL30i","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0961","0.062","","","0.1646","0.2176","","","","","","1.038","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229964","12.3364","0.0008","13.4022","0.0011","8.6223","0.0005","90","","97.437","0.005","90","","1413.57","0.17","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30i(SCN)]2","","","- C26 H26 Cu2 N6 O6 S2 -","- C26 H26 Cu2 N6 O6 S2 -","- C52 H52 Cu4 N12 O12 S4 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.1126","0.0551","","","0.1208","0.1428","","","","","","0.857","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229965","6.028","0.0004","9.2207","0.0006","11.3737","0.0007","74.653","0.005","75.243","0.005","87.728","0.005","589.26","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30d","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.056","0.0421","","","0.1119","0.1172","","","","","","1.029","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229966","7.3859","0.0005","9.1298","0.0007","10.3252","0.0007","94.11","0.006","96.016","0.006","105.895","0.006","662.26","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30aCl]","","","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0701","0.0609","","","0.1635","0.1742","","","","","","1.069","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229967","7.5941","0.0005","9.0685","0.0006","10.0399","0.0006","90.393","0.005","96.377","0.005","110.15","0.005","644.33","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30iCl]","","","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0606","0.047","","","0.1161","0.1218","","","","","","0.942","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229968","7.6352","0.0005","9.0924","0.0006","9.5031","0.0006","91.652","0.005","98.15","0.005","107.858","0.005","619.77","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30bCl]","","","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0563","0.0454","","","0.1123","0.1175","","","","","","0.962","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229969","10.9871","0.0005","20.1512","0.0012","13.951","0.0006","90","","94.232","0.003","90","","3080.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30cCl]","","","- C14 H17 Cl Cu N2 O4 -","- C14 H17 Cl Cu N2 O4 -","- C112 H136 Cl8 Cu8 N16 O32 -","8","2","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1126","0.0711","","","0.1847","0.2785","","","","","","0.956","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229970","8.7846","0.0004","18.8515","0.0006","9.028","0.0004","90","","99.363","0.003","90","","1475.14","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30bNO3]","","","- C12 H17 Cu N3 O7 -","- C12 H17 Cu N3 O7 -","- C48 H68 Cu4 N12 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0311","0.025","","","0.0639","0.0663","","","","","","1.03","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229971","9.0597","0.0006","14.5372","0.0007","11.8354","0.0008","90","","95.232","0.005","90","","1552.26","0.17","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dNO3]","","","- C12 H16 Cu N4 O7 -","- C12 H16 Cu N4 O7 -","- C48 H64 Cu4 N16 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.041","0.0274","","","0.0578","0.0605","","","","","","0.906","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229972","12.9059","0.0007","18.9389","0.0013","7.6909","0.0004","90","","115.017","0.004","90","","1703.48","0.18","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuL30fCl]","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C72 H68 Cl4 Cu4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.026","0.024","","","0.0544","0.0552","","","","","","1.034","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229973","12.76","0.0018","16.897","0.003","13.781","0.002","90","","102.639","0.011","90","","2899.3","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30b]2SO4","","","- C26 H34 Cu2 N4 O10 S -","- C26 H34 Cu2 N4 O10 S -","- C104 H136 Cu8 N16 O40 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0742","0.0468","","","0.103","0.1117","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229974","20.5772","0.0011","19.5249","0.0015","7.1596","0.0004","90","","94.083","0.004","90","","2869.2","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aN3]","","","- C13 H15 Cu N5 O3 -","- C13 H15 Cu N5 O3 -","- C104 H120 Cu8 N40 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0407","0.0271","","","0.0577","0.0609","","","","","","0.937","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229975","10.2653","0.0004","8.8823","0.0004","20.2634","0.0009","90","","97.713","0.003","90","","1830.89","0.14","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[CuL30fNO3]","","","- C36 H34 Cu2 N6 O12 -","- C36 H34 Cu2 N6 O12 -","- C72 H68 Cu4 N12 O24 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0487","0.0314","","","0.0687","0.0726","","","","","","0.913","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229976","7.5927","0.0005","23.9283","0.0012","8.5927","0.0005","90","","93.078","0.005","90","","1558.87","0.16","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30aOAc]","","","- C30 H36 Cu2 N4 O10 -","- C30 H36 Cu2 N4 O10 -","- C60 H72 Cu4 N8 O20 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0483","0.0307","","","0.0618","0.0652","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229977","9.8474","0.0005","15.5449","0.0006","10.2348","0.0006","90","","92.59","0.004","90","","1565.11","0.14","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30bSCN]","","","- C14 H17 Cu N3 O3 S -","- C14 H17 Cu N3 O3 S -","- C56 H68 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0746","0.0659","","","0.1957","0.2042","","","","","","1.067","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229978","6.8193","0.0004","11.6812","0.0006","28.7206","0.0016","90","","95.047","0.004","90","","2278.9","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dOAc]","","","- C14 H29 Cu N3 O11 -","- C14 H15 Cu N3 O11 -","- C56 H60 Cu4 N12 O44 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0824","0.0567","","","0.1517","0.1665","","","","","","0.999","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229979","8.866","0.0006","8.8511","0.0006","12.762","0.0008","94.241","0.005","104.942","0.005","108.277","0.005","905.63","0.11","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30cOAc]","","","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0397","0.0309","","","0.0867","0.104","","","","","","1.14","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229980","10.3415","0.0007","9.206","0.0004","19.3186","0.0014","90","","98.818","0.005","90","","1817.5","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30fI]","","","- C36 H34 Cu2 I2 N4 O6 -","- C36 H34 Cu2 I2 N4 O6 -","- C72 H68 Cu4 I4 N8 O12 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1413","0.127","","","0.3393","0.3631","","","","","","1.372","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229981","12.7796","0.0005","13.8977","0.0008","16.9969","0.0006","90","","105.798","0.003","90","","2904.7","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aNO3]","","","- C26 H30 Cu2 N6 O12 -","- C26 H30 Cu2 N6 O12 -","- C104 H120 Cu8 N24 O48 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0335","0.0251","","","0.067","0.0766","","","","","","1.076","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229982","5.9027","0.0005","16.4411","0.0012","15.7542","0.0013","90","","98.344","0.006","90","","1512.7","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30aSCN]","","","- C14 H15 Cu N3 O3 S -","- C14 H15 Cu N3 O3 S -","- C56 H60 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0517","0.0313","","","0.059","0.0632","","","","","","0.894","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229983","7.8179","0.0003","14.6683","0.0006","13.0905","0.0004","90","","92.391","0.003","90","","1499.85","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30aI]","","","- C13 H15 Cu I N2 O3 -","- C13 H15 Cu I N2 O3 -","- C52 H60 Cu4 I4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0273","0.0205","","","0.0458","0.0468","","","","","","0.936","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229984","8.7017","0.0004","18.0339","0.0011","21.7086","0.0012","90","","90","","90","","3406.6","0.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[CuL30iOAc]","","","- C28 H40 Cu2 N4 O14 -","- C28 H40 Cu2 N4 O14 -","- C112 H160 Cu8 N16 O56 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0985","0.0343","","","0.0531","0.0624","","","","","","0.728","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229985","7.3993","0.0004","9.3862","0.0005","10.6959","0.0005","105.369","0.004","99.166","0.004","97.86","0.004","694.52","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30bN3]","","","- C24 H30 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0294","0.0256","","","0.0672","0.0686","","","","","","1.084","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229986","5.5863","0.0005","11.6567","0.0011","13.2094","0.0012","71.808","0.007","79.534","0.007","77.545","0.007","791.86","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30f","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0841","0.0512","","","0.1255","0.1397","","","","","","0.965","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229987","6.7842","0.0006","15.8946","0.0015","15.9754","0.0018","93.458","0.009","96.606","0.008","97.754","0.008","1690.5","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30c]2SO4","","","- C29 H40 Cu2 N4 O14 S -","- C29 H38 Cu2 N4 O14 S -","- C58 H76 Cu4 N8 O28 S2 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1789","0.1353","","","0.3285","0.3733","","","","","","1.137","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229993","5.7343","0.0006","6.799","0.0007","6.9949","0.0007","90","","104.961","0.001","90","","263.47","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","L-malic acid","","- C4 H6 O5 -","- C4 H6 O5 -","- C8 H12 O10 -","2","1","","Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart","l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity","CrystEngComm","2018","20","10","1383","","10.1039/C7CE02107K","","","0.71073","MoKα","","0.0304","0.0294","","","0.0791","0.0798","","","","","","1.05","","","","has coordinates","228893","2020-10-21","18:00:00",""
"7229994","7.0637","0.0004","15.147","0.0008","15.4381","0.0008","69.624","0.001","81.819","0.001","86.324","0.001","1532.48","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","Theophylline:4chloro3nitrobenzoic acid","","","- C14 H12 Cl N5 O6 -","- C14 H12 Cl N5 O6 -","- C56 H48 Cl4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0384","0.0328","","","0.0866","0.0899","","","","","","1.053","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229995","10.191","0.003","10.459","0.003","12.777","0.003","98.98","0.005","108.898","0.005","108.434","0.005","1170.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:3,4 dichlorobenzoic acid","","","- C21 H16 Cl4 N4 O6 -","- C21 H16 Cl4 N4 O6 -","- C42 H32 Cl8 N8 O12 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0908","0.0442","","","0.1041","0.134","","","","","","1.013","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229996","42.668","0.006","4.9516","0.0008","16.838","0.003","90","","106.575","0.006","90","","3409.6","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Theophylline:acetazolamide","","","- C11 H14 N8 O5 S2 -","- C11 H14 N8 O5 S2 -","- C88 H112 N64 O40 S16 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0659","0.0403","","","0.1107","0.1371","","","","","","1.074","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229997","8.0218","0.0009","14.3076","0.0015","25.258","0.003","90","","90","","90","","2898.9","0.6","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","Theophylline:4hydroxy-benzamide","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C112 H120 N40 O32 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0598","0.0425","","","0.0902","0.0991","","","","","","1.02","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229998","7.203","0.004","14.913","0.009","16.014","0.01","63.098","0.01","86.349","0.012","84.677","0.012","1527","1.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:4-fluoro-3-nitrobenzoic acid","","","- C14 H12 F N5 O6 -","- C14 H12 F N5 O6 -","- C56 H48 F4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.2024","0.1225","","","0.2934","0.3556","","","","","","1.065","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229999","8.0597","0.0007","9.6051","0.0009","14.2402","0.0013","96.817","0.002","99.412","0.002","103.672","0.002","1042.4","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","Theophylline:picolinamide","","","- C20 H22 N10 O5 -","- C20 H22 N10 O5 -","- C40 H44 N20 O10 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0419","0.0359","","","0.0897","0.0943","","","","","","1.038","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7230001","6.9852","0.0002","17.8187","0.0006","8.5879","0.0002","90","","102.313","0.002","90","","1044.32","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H5 Cu5 I4 N10 -","- C6 H5 Cu5 I4 N10 -","- C12 H10 Cu10 I8 N20 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0395","0.0372","","","0.0961","0.0982","","","","","","1.109","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230002","9.0012","0.0006","14.3269","0.001","12.5315","0.0007","90","","94.3","0.006","90","","1611.5","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Cu6 I4 N20 -","- C12 H16 Cu6 I4 N20 -","- C24 H32 Cu12 I8 N40 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0612","0.0529","","","0.1304","0.1364","","","","","","1.054","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230003","20.9377","0.0011","12.3747","0.0006","40.8557","0.0019","90","","100.209","0.006","90","","10418","0.9","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl2 N18 Ni O18 -","- C42 H54 Cl2 N18 Ni O18 -","- C336 H432 Cl16 N144 Ni8 O144 -","8","2","","Tayade, Sakharam B.; Bhat, Satish S.; Illathvalappil, Rajith; Dhavale, Vishal M.; Kawade, Vitthal A.; Kumbhar, Avinash S.; Kurungot, Sreekumar; Näther, Christian","Water mediated proton conductance in a hydrogen-bonded Ni(ii)-bipyridine-glycoluril chloride self-assembled framework","CrystEngComm","2018","20","8","1094","","10.1039/C7CE01814B","","","0.71073","MoKα","","0.0571","0.0437","","","0.1194","0.1281","","","","","","1.016","","","","has coordinates","228935","2020-10-21","18:00:00",""
"7230030","11.438","0.002","19.463","0.004","13.64","0.003","90","","96.47","0.03","90","","3017.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Eu N11 O15 -","- C24 H18 Eu N11 O15 -","- C96 H72 Eu4 N44 O60 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0358","0.0348","","","0.0956","0.0963","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230031","11.434","0.002","19.348","0.004","13.721","0.003","90","","96.62","0.03","90","","3015.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N11 O15 Tb -","- C24 H16 N11 O15 Tb -","- C96 H64 N44 O60 Tb4 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0437","0.043","","","0.1238","0.1245","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230032","10.569","0.002","12.133","0.002","12.816","0.003","111.04","0.03","91.13","0.03","101.65","0.03","1494.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N11 O15 Y -","- C24 H16 N11 O15 Y -","- C48 H32 N22 O30 Y2 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0511","0.0454","","","0.1193","0.1232","","","","","","1.002","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230033","10.564","0.002","12.125","0.002","12.807","0.003","111.07","0.03","91.16","0.03","101.61","0.03","1491.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Er N11 O15 -","- C24 H16 Er N11 O15 -","- C48 H32 Er2 N22 O30 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0334","0.0303","","","0.0728","0.0746","","","","","","1.009","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230034","32.227","0.009","14.685","0.006","14.001","0.006","90","","90","","90","","6626","4","100","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C8 H20 Cl5 In N2 O2 -","- C8 H20 Cl5 In N2 O2 -","- C128 H320 Cl80 In16 N32 O32 -","16","2","","Owczarek, Magdalena; Szklarz, Przemysław; Moskwa, Marcin; Jakubas, Ryszard","Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties","CrystEngComm","2018","20","6","703","","10.1039/C7CE01756A","","","0.71073","MoKα","","0.0216","0.0194","","","0.0426","0.043","","","","","","0.985","","","","has coordinates","229006","2020-10-21","18:00:00",""
"7230035","40.012","0.008","16.186","0.003","10.282","0.002","90","","93.64","0.03","90","","6646","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H80 N22 O12 S5 -","- C53 H80 N22 O12 S5 -","- C212 H320 N88 O48 S20 -","4","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0635","0.0486","","","0.117","0.1265","","","","","","1.083","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230036","7.9117","0.0016","9.6617","0.0019","12.132","0.002","90","","94.67","0.03","90","","924.3","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0539","0.0396","","","0.0995","0.1081","","","","","","1.057","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230037","8.5271","0.0017","11.207","0.002","15.059","0.003","90","","90","","90","","1439.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C44 H72 N16 O8 S4 -","4","1","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0609","0.0429","","","0.0873","0.0958","","","","","","0.963","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230038","12.177","0.002","10.283","0.002","24.918","0.005","90","","90","","90","","3120.1","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.085","0.0732","","","0.1818","0.1908","","","","","","1.052","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230039","15.286","0.003","10.958","0.002","16.735","0.003","90","","91.88","0.03","90","","2801.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C88 H144 N32 O16 S8 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0922","0.0546","","","0.1285","0.1482","","","","","","0.989","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230048","7.4861","0.0003","7.4773","0.0003","27.3003","0.001","90","","95.532","0.004","90","","1521.04","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0482","0.041","","","0.104","0.1111","","","","","","1.052","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230049","21.9366","0.0003","18.2644","0.0003","18.6976","0.0003","90","","103.484","0.0015","90","","7284.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Cu4 N15 O14 -","- C78 H73 Cu4 N15 O14 -","- C312 H292 Cu16 N60 O56 -","4","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.032","0.028","","","0.0739","0.076","","","","","","1.039","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230050","6.8165","0.0003","12.1809","0.0006","13.8681","0.0005","97.444","0.003","98.421","0.003","102.838","0.004","1094.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Cu N3 O5 -","- C23 H27 Cu N3 O5 -","- C46 H54 Cu2 N6 O10 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.076","0.0561","","","0.1331","0.1424","","","","","","1.048","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230051","13.8963","0.0003","13.7996","0.0003","20.7755","0.0005","90","","107.426","0.002","90","","3801.13","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 Co N9 O4 -","- C42 H41 Co N9 O4 -","- C168 H164 Co4 N36 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.0536","0.0383","","","0.0869","0.0953","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230052","13.915","0.0002","13.7467","0.0002","20.8267","0.0004","90","","107.393","0.0019","90","","3801.7","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 N9 Ni O4 -","- C42 H41 N9 Ni O4 -","- C168 H164 N36 Ni4 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0458","0.0377","","","0.0985","0.106","","","","","","1.024","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230053","13.4231","0.0004","30.1689","0.0009","14.2158","0.0004","90","","90","","90","","5756.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H64 Cl Cu2 N7 O13 -","- C64 H64 Cl Cu2 N7 O13 -","- C256 H256 Cl4 Cu8 N28 O52 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.0809","0.0642","","","0.1494","0.1589","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230054","20.7411","0.001","35.8785","0.0014","18.2934","0.0008","90","","109.654","0.005","90","","12820.1","1.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C205 H227 Cl3 N37 Ni10 O51 -","- C205 H227 Cl3 N37 Ni10 O51 -","- C410 H454 Cl6 N74 Ni20 O102 -","2","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.1445","0.0902","","","0.2336","0.268","","","","","","1.016","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230055","14.8923","0.0004","17.0968","0.0007","17.3958","0.0006","87.743","0.003","85.594","0.002","79.606","0.003","4342.1","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 Cl2 N14 Ni4 O21 -","- C86 H90 Cl2 N14 Ni4 O21 -","- C172 H180 Cl4 N28 Ni8 O42 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0639","0.0529","","","0.1308","0.1419","","","","","","1.053","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230056","15.2703","0.0007","28.8077","0.0012","22.7473","0.0009","90","","107.926","0.005","90","","9520.8","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H108 Cl2 N12 Ni4 O25 -","- C86 H108 Cl2 N12 Ni4 O25 -","- C344 H432 Cl8 N48 Ni16 O100 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0941","0.0754","","","0.219","0.2432","","","","","","1.085","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230057","13.663","0.0008","14.4902","0.0008","15.6628","0.0008","70.842","0.005","67.379","0.005","68.614","0.005","2600.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N7 Ni2 O14 -","- C45 H44 Cl N7 Ni2 O14 -","- C90 H88 Cl2 N14 Ni4 O28 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.1176","0.0677","","","0.156","0.181","","","","","","0.978","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230066","13.463","0.002","13.599","0.002","14.644","0.002","73.288","0.002","68.72","0.002","60.714","0.002","2158.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H38 N4 -","- C56 H38 N4 -","- C112 H76 N8 -","2","1","","Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Tian, Yupeng; Yang, Jiaxiang","Two novel AIEE-active imidazole/ α-cyanostilbene derivatives: photophysical properties, reversible fluorescence switching, and detection of explosives","CrystEngComm","2018","20","9","1237","","10.1039/C7CE01842H","","","0.71073","MoKα","","0.2078","0.1772","","","0.4773","0.5093","","","","","","2.049","","","","has coordinates","229076","2020-10-21","18:00:00",""
"7230067","7.173","0.003","11.186","0.005","5.156","0.002","90","","131.082","0.003","90","","311.8","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Nb O4 Tb -","- Nb O4 Tb -","- Nb4 O16 Tb4 -","4","0.5","","Guo, Jiayi; Ren, Junyu; Cheng, Rui; Dong, Qing; Gao, Cunyuan; Zhang, Xuzhao; Guo, Shiyi","Growth, structural and thermophysical properties of TbNbO4 crystals","CrystEngComm","2018","20","10","1455","","10.1039/C7CE02072D","","","0.71073","MoKα","","0.0249","0.0249","","","0.0644","0.0644","","","","","","1.143","","","","has coordinates","228894","2020-10-21","18:00:00",""
"7230068","15.6204","0.0007","11.7065","0.0005","15.7573","0.0007","90","","97.221","0.002","90","","2858.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S107","","","- C30 H30 Mn N3 O3 S2 -","- C30 H30 Mn N3 O3 S2 -","- C120 H120 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0478","0.0338","","","0.0704","0.075","","","","","","1.061","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230069","11.0249","0.0004","11.9113","0.0005","11.9381","0.0005","114.849","0.001","106.773","0.001","95.718","0.001","1317.3","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","S106","","","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","1","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0373","0.0281","","","0.0629","0.0661","","","","","","1.022","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230070","13.8991","0.0004","11.8029","0.0004","14.2659","0.0005","90","","92.954","0.003","90","","2337.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Mn N3 O3 S2 -","- C22 H26 Mn N3 O3 S2 -","- C88 H104 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0543","0.0423","","","0.0982","0.1043","","","","","","1.024","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230071","9.867","0.0003","12.1265","0.0005","18.8346","0.0007","90","","90","","90","","2253.6","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Mn N5 O3 S -","- C21 H26 Mn N5 O3 S -","- C84 H104 Mn4 N20 O12 S4 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0828","0.0566","","","0.08","0.088","","","","","","0.949","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230072","13.3075","0.0015","10.978","0.0011","18.002","0.002","90","","91.781","0.004","90","","2628.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S120","","","- C31 H24 Mn N3 O3 S2 -","- C31 H24 Mn N3 O3 S2 -","- C124 H96 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0439","0.0383","","","0.1002","0.105","","","","","","1.06","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230073","15.3576","0.001","17.1311","0.0011","12.1008","0.0008","90","","123.884","0.002","90","","2642.9","0.3","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","S110","","","- C22 H30 Cl Mn N2 O10 S -","- C21.5 H30 Cl Mn N2 O10 S -","- C86 H120 Cl4 Mn4 N8 O40 S4 -","4","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0479","0.0427","","","0.1056","0.1075","","","","","","1.116","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230074","12.5031","0.0006","14.6639","0.0007","15.1065","0.0008","90","","90.903","0.004","90","","2769.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Mn N3 O5 S2 -","- C26 H34 Mn N3 O5 S2 -","- C104 H136 Mn4 N12 O20 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.1621","0.0827","","","0.1056","0.1282","","","","","","0.992","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230079","7.0958","0.0005","24.4284","0.0017","9.0306","0.0007","90","","108.453","0.003","90","","1484.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O -","- C19 H14 Cl N O -","- C76 H56 Cl4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.034","0.031","","","0.0839","0.0861","","","","","","1.025","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230080","7.301","0.0003","25.9817","0.001","9.1022","0.0004","90","","111.488","0.002","90","","1606.61","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N O -","- C19 H14 I N O -","- C76 H56 I4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0378","0.0275","","","0.0549","0.0592","","","","","","1.024","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230081","7.1573","0.0004","24.8433","0.0014","9.0381","0.0006","90","","108.491","0.003","90","","1524.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N O -","- C19 H14 Br N O -","- C76 H56 Br4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0371","0.0316","","","0.0825","0.0855","","","","","","1.003","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230082","12.8719","0.0004","14.5519","0.0004","14.2914","0.0004","90","","115.4","0.001","90","","2418.17","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Cl N2 O -","- C32 H23 Cl N2 O -","- C128 H92 Cl4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0474","0.0405","","","0.1052","0.1104","","","","","","1.009","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230083","13.0192","0.0002","14.6232","0.0003","14.2369","0.0002","90","","115.288","0.001","90","","2450.72","0.07","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Br N2 O -","- C32 H23 Br N2 O -","- C128 H92 Br4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0782","0.0449","","","0.0707","0.0796","","","","","","0.948","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230084","17.8528","0.0006","10.1405","0.0004","28.1824","0.001","90","","90","","90","","5102","0.3","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H23 I N2 O -","- C32 H23 I N2 O -","- C256 H184 I8 N16 O8 -","8","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0629","0.0698","","","","","","1.01","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230085","18.3054","0.0007","18.3054","0.0007","24.9411","0.0019","90","","90","","120","","7237.8","0.7","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H42 N6 O86 P2 S6 W24 -","- C30 H30 N6 O86 P2 S6 W24 -","- C90 H90 N18 O258 P6 S18 W72 -","3","0.333333","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0325","0.0317","","","0.0718","0.0723","","","","","","1.055","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230086","11.5893","0.0011","14.0435","0.0013","18.6103","0.0014","90","","123.117","0.004","90","","2536.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O46 P S2 W12 -","- C20 H20 N4 O42 P S2 W12 -","- C40 H40 N8 O84 P2 S4 W24 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0657","0.0631","","","0.179","0.1815","","","","","","1.082","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230087","14.9281","0.0017","20.076","0.002","26.708","0.003","90","","120.559","0.005","90","","6892.5","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Ag12 N4 O137 P4 S4 W36 -","- C20 H20 Ag12 N4 O137 P4 S4 W36 -","- C40 H40 Ag24 N8 O274 P8 S8 W72 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0966","0.0533","","","0.1297","0.1565","","","","","","1.04","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230088","7.2124","0.0006","10.582","0.0005","17.2167","0.0009","90","","90","","90","","1314.01","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0423","0.0332","","","0.0859","0.0928","","","","","","1.031","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230089","10.9281","0.0002","9.8404","0.0003","11.7942","0.0003","90","","97.535","0.001","90","","1257.36","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","2","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0406","0.0317","","","0.0763","0.0802","","","","","","0.985","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230090","5.443","0.0002","21.1577","0.0006","21.2367","0.0006","90","","90","","90","","2445.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30.63 N6 O8.32 -","- C22 H30 N6 O8.3155 -","- C88 H120 N24 O33.262 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0464","0.037","","","0.0854","0.09","","","","","","1.056","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230098","5.6075","0.0001","13.0331","0.0003","14.8275","0.0003","114.825","0.002","100.483","0.002","91.664","0.002","960.32","0.04","100","1","100","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0344","0.029","","","0.0896","0.0917","","","","","","1.084","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230099","14.2644","0.0009","12.9569","0.0008","6.9931","0.0004","90","","100.393","0.006","90","","1271.28","0.14","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0712","0.0348","","","0.0615","0.0651","","","","","","0.943","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230100","14.4305","0.0009","13.1657","0.001","7.0872","0.0005","90","","101.958","0.007","90","","1317.26","0.16","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.1045","0.0467","","","0.0774","0.0839","","","","","","1.037","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230101","12.8234","0.0003","8.0674","0.0002","13.4505","0.0003","90","","111.531","0.002","90","","1294.38","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0354","0.0288","","","0.0806","0.0828","","","","","","1.013","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230102","5.652","0.0005","13.1283","0.0018","14.9297","0.001","114.314","0.019","100.619","0.01","91.595","0.009","985.6","0.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0437","0.0303","","","0.0749","0.0779","","","","","","1.004","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230103","12.7471","0.0005","8.2941","0.0003","13.5772","0.0006","90","","111.406","0.005","90","","1336.44","0.1","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0538","0.0316","","","0.0585","0.0607","","","","","","1.012","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230104","12.2387","0.0007","7.2236","0.0004","8.0822","0.0004","90","","103.325","0.006","90","","695.29","0.07","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-oxindole","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0809","0.0499","","","0.122","0.1518","","","","","","1.062","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230105","12.0455","0.0003","7.0949","0.0002","7.967","0.0002","90","","101.314","0.003","90","","667.64","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxindole","2-indolinone","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0422","0.0353","","","0.0956","0.1024","","","","","","1.053","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230106","14.9614","0.0017","15.2536","0.0016","30.99","0.004","90","","96.288","0.003","90","","7029.8","1.4","100","2","100","2","","","","","","","Vapour diffison of dichloromethane into heaxafluoro-2-propanol solution","4","P 1 21/c 1","-P 2ybc","14","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","1","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1274","0.0796","","","0.1997","0.2275","","","","","","1.08","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230107","14.4613","0.0017","20.326","0.002","23.303","0.003","65.194","0.003","85.341","0.003","73.765","0.003","5964.6","1.2","100","2","100","2","","","","","","","Vapour diffison of 2-methanol into heaxafluoro-2-propanol solution","4","P -1","-P 1","2","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]hemimethanol solvate","","- C49.5 H46 N8 O8.5 -","- C49.5 H46 N8 O8.5 -","- C198 H184 N32 O34 -","4","2","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1112","0.0727","","","0.1813","0.2044","","","","","","1.019","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230108","15.304","0.003","6.2273","0.0012","14.009","0.003","90","","115.285","0.002","90","","1207.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cl2 Cu N4 -","- C6 H6 Au Cl2 Cu N4 -","- C24 H24 Au4 Cl8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0235","0.0181","","","0.0424","0.0449","","","","","","1.059","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230109","15.5179","0.0011","5.9393","0.0004","14.8526","0.001","90","","112.769","0.001","90","","1262.22","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Br2 Cu N4 -","- C6 H6 Au Br2 Cu N4 -","- C24 H24 Au4 Br8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0202","0.0158","","","0.0352","0.0363","","","","","","1.04","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230110","16.567","0.0016","5.5064","0.0005","15.8161","0.0015","90","","108.258","0.001","90","","1370.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cu I2 N4 -","- C6 H6 Au Cu I2 N4 -","- C24 H24 Au4 Cu4 I8 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0223","0.0208","","","0.0519","0.0526","","","","","","1.129","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230114","16.066","0.005","16.264","0.005","25.721","0.008","95.908","0.004","98.689","0.003","94.564","0.004","6577","4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N8 O5 -","- C30 H40 N8 O5 -","- C240 H320 N64 O40 -","8","4","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.1927","0.0879","","","0.1974","0.2278","","","","","","0.968","","","","has coordinates,has disorder","228896","2020-10-21","18:00:00",""
"7230115","17.306","0.002","16.8727","0.0019","23.268","0.003","90","","90","","90","","6794.2","1.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N8 O6 -","- C32 H46 N8 O6 -","- C256 H368 N64 O48 -","8","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1801","0.0868","","","0.1733","0.2169","","","","","","1.015","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230116","16.641","0.003","16.911","0.003","26.532","0.004","90","","92.145","0.005","90","","7461","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O6 -","- C38 H50 N8 O6 -","- C304 H400 N64 O48 -","8","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1789","0.1197","","","0.2323","0.2607","","","","","","1.092","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230117","15.8133","0.0005","15.8133","0.0005","20.5773","0.0008","90","","90","","90","","5145.6","0.3","120","","120","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C208 H240 N64 O32 -","8","0.5","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0376","0.0329","","","0.0788","0.0814","","","","","","1.04","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230118","9.0337","0.0007","14.7317","0.0014","19.8607","0.0015","90","","90","","90","","2643.1","0.4","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies – is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0995","0.0723","","","0.1629","0.1782","","","","","","1.036","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7230119","13.3968","0.0008","16.0797","0.0006","16.7219","0.0008","84.489","0.004","67.608","0.005","82.921","0.004","3300.4","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H39 N9 O4 -","- C33 H39 N9 O4 -","- C132 H156 N36 O16 -","4","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.09","0.0603","","","0.1502","0.1669","","","","","","1.035","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230120","14.71","0.003","14.32","0.003","15.8","0.003","90","","96.47","0.03","90","","3307","1.2","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cr2 Cu N6 O7 -","- C20 H22 Cr2 Cu N6 O7 -","- C80 H88 Cr8 Cu4 N24 O28 -","4","1","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.0548","0.0517","","","0.1457","0.1482","","","","","","1.084","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230121","18.658","0.002","18.658","0.002","8.653","0.0017","90","","90","","90","","3012.3","0.7","100.15","","100.15","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C20 H28 Cr2 Cu N8 O7 -","- C20 H28 Cr2 Cu N8 O7 -","- C80 H112 Cr8 Cu4 N32 O28 -","4","0.5","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.1119","0.095","","","0.2611","0.2747","","","","","","1.051","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230122","29.746","0.006","7.8121","0.0016","19.757","0.004","90","","130.51","0.03","90","","3491","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N13 O12 -","- C8 H9 N13 O12 -","- C64 H72 N104 O96 -","8","1","","Pan, Bochen; Dang, Leping; Wang, Zhanzhong; Jiang, Jun; Wei, Hongyuan","Preparation, crystal structure and solution-mediated phase transformation of a novel solid-state form of CL-20","CrystEngComm","2018","20","11","1553","","10.1039/C7CE02026K","","","0.71073","MoKα","","0.0479","0.0392","","","0.1286","0.135","","","","","","1.029","","","","has coordinates","229147","2020-10-21","18:00:00",""
"7230123","8.8819","0.0005","23.8685","0.0011","13.7122","0.0007","90","","91.846","0.004","90","","2905.4","0.3","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","","0.7107","MoKα","","0.0628","0.0312","","","0.0459","0.0514","","","","","","0.946","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230124","8.5005","0.0002","23.2999","0.0006","13.6047","0.0003","90","","91.102","0.002","90","","2694.06","0.11","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Mn N8 O4 -","- C62 H68 Cl2 Mn N8 O4 -","- C124 H136 Cl4 Mn2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0679","0.0434","","","0.0812","0.0917","","","","","","1.025","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230125","8.7177","0.0002","22.8785","0.0007","13.3318","0.0004","90","","91.452","0.002","90","","2658.15","0.13","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Cu N8 O4 -","- C62 H68 Cl2 Cu N8 O4 -","- C124 H136 Cl4 Cu2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0677","0.0541","","","0.142","0.1517","","","","","","1.036","","","","has coordinates,has disorder","229062","2020-10-21","18:00:00",""
"7230126","8.4606","0.0003","23.1261","0.001","13.5197","0.0006","90","","90.899","0.005","90","","2644.95","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 Ni O4 -","- C62 H68 Cl2 N8 Ni O4 -","- C124 H136 Cl4 N16 Ni2 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0794","0.0465","","","0.0776","0.0879","","","","","","1.014","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230127","8.5717","0.0001","23.4186","0.0003","13.6664","0.0002","90","","91.246","0.001","90","","2742.71","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cd Cl2 N8 O4 -","- C62 H68 Cd Cl2 N8 O4 -","- C124 H136 Cd2 Cl4 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0312","0.028","","","0.0649","0.0666","","","","","","1.055","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230128","10.0288","0.0003","16.1383","0.0005","16.1962","0.0005","90","","90.845","0.003","90","","2621.03","0.14","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N4 O2 -","- C31 H34 N4 O2 -","- C124 H136 N16 O8 -","4","1","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0583","0.0391","","","0.0792","0.0863","","","","","","1.018","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230129","8.69","0.0002","23.6505","0.0004","13.7975","0.0003","90","","92.038","0.002","90","","2833.91","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.05","0.029","","","0.0481","0.0522","","","","","","1.006","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230137","8.7634","0.0006","19.3464","0.0011","8.8479","0.0007","90","","96.305","0.007","90","","1491","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.095","0.0529","","","0.1132","0.1304","","","","","","1.016","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230138","18.819","0.002","12.3035","0.0008","15.245","0.002","90","","113.799","0.016","90","","3229.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.079","0.0488","","","0.093","0.1034","","","","","","1.024","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230139","20.911","0.002","5.3366","0.0005","10.8719","0.0009","90","","90","","90","","1213.23","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0766","0.047","","","0.0698","0.0802","","","","","","0.992","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230140","9.8994","0.0007","6.8199","0.0003","20.3396","0.0015","90","","90","","90","","1373.19","0.15","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0926","0.0535","","","0.0925","0.1075","","","","","","1.056","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230141","19.2494","0.001","12.8121","0.0006","15.0103","0.0007","90","","112.476","0.006","90","","3420.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1202","0.0594","","","0.1142","0.1373","","","","","","0.984","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230142","24.185","0.003","12.6631","0.0018","4.7046","0.0008","90","","90","","90","","1440.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.2087","0.0769","","","0.078","0.1091","","","","","","0.929","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230143","15.6285","0.0005","12.4516","0.0004","7.3947","0.0003","90","","93.187","0.003","90","","1436.78","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0651","0.0449","","","0.1046","0.1148","","","","","","1.032","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230144","11.9715","0.0005","12.5059","0.0006","9.371","0.0004","90","","97.453","0.004","90","","1391.12","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1242","0.0552","","","0.0779","0.0969","","","","","","0.971","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230145","4.9401","0.0005","27.416","0.003","15.4519","0.0014","90","","95.408","0.002","90","","2083.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F2 N2 S2 -","- C24 H22 F2 N2 S2 -","- C96 H88 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.71073","MoKα","","0.0715","0.0532","","","0.1152","0.1251","","","","","","1.09","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230146","4.9884","0.0002","20.5374","0.001","23.8286","0.0011","109.016","0.001","90.388","0.001","91.87","0.001","2306.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","","","","0.0673","0.0594","","","0.1673","0.1769","","","","","","1.031","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230147","18.3461","0.0006","5.0761","0.0001","25.1208","0.0008","90","","99.433","0.001","90","","2307.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0757","0.0734","","","0.1938","0.1991","","","","","","1.067","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230148","4.8908","0.0001","37.3867","0.0009","15.8515","0.0004","90","","95.896","0.001","90","","2883.13","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 F2 N2 S2 -","- C32 H38 F2 N2 S2 -","- C128 H152 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0512","0.0498","","","0.1352","0.1363","","","","","","1.05","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230151","7.488","0.005","15.981","0.005","12.179","0.005","90","0.005","105.711","0.005","90","0.005","1403","1.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","0.5","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.189","0.17","","","","0.4811","","","","","","1.89","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230152","11.7214","0.0008","6.9671","0.0004","20.641","0.0013","90","","103.414","0.006","90","","1639.64","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C64 H40 Cl8 N12 O16 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0989","0.0963","","","","0.2569","","","","","","1.115","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230153","16.311","0.0003","13.4662","0.0002","14.4537","0.0002","90","","90","","90","","3174.71","0.09","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl2 N3 O2 -","- C16 H12 Cl2 N3 O2 -","- C128 H96 Cl16 N24 O16 -","8","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0474","0.0437","","","","0.1256","","","","","","1.049","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230154","7.1343","0.0007","15.894","0.0014","11.519","0.0011","90","","98.678","0.008","90","","1291.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl2 N3 O2 -","- C13 H6 Cl2 N3 O2 -","- C52 H24 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","x-ray","1.54184","CuKα","","","0.0527","","","","0.1669","","","","","","1.04","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230155","6.8512","0.0001","11.0917","0.0001","19.146","0.0002","90","","94.392","0.001","90","","1450.66","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0464","0.0456","","","","0.118","","","","","","1.023","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230156","6.8797","0.0004","10.4684","0.0006","11.0184","0.0004","87.618","0.004","79.679","0.004","75.627","0.005","756.26","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C30 H18 Cl4 N8 O6 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.048","0.0456","","","","0.137","","","","","","1.095","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230157","6.5095","0.0004","10.0244","0.0006","12.1968","0.0009","96.753","0.005","98.883","0.006","104.199","0.005","752.21","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 Cl2 N4 O2 -","- C17 H9 Cl2 N4 O2 -","- C34 H18 Cl4 N8 O4 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.1559","0.1478","","","","0.3196","","","","","","1.172","","","","has coordinates,has disorder","229055","2020-10-21","18:00:00",""
"7230158","6.87171","0.00007","10.10504","0.00009","20.5512","0.0002","90","","94.6882","0.0009","90","","1422.28","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0302","0.0292","","","","0.0815","","","","","","1.069","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230159","19.9026","0.0002","6.7671","0.0001","23.9113","0.0002","90","","104.552","0.001","90","","3117.13","0.06","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C128 H80 Cl16 N24 O32 -","8","2","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0335","0.0332","","","","0.087","","","","","","0.898","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230160","6.4226","0.0003","11.3416","0.0004","20.4418","0.0008","90","","91.438","0.004","90","","1488.56","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C60 H36 Cl8 N16 O12 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0629","0.0567","","","","0.1636","","","","","","1.068","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230174","12.4225","0.0007","13.0816","0.0009","15.8045","0.0009","66.69","0.006","72.34","0.005","84.193","0.005","2247","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cu3 N6 O9 S2 -","- C44 H49.9998 Cu3 N6 O9 S2 -","- C88 H99.9996 Cu6 N12 O18 S4 -","2","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C‒H⋯π(bimetallo ring) interactions","CrystEngComm","2018","20","12","1679","","10.1039/C7CE01473B","","","0.71073","MoKα","","0.0803","0.0551","","","0.0921","0.0998","","","","","","1.058","","","","has coordinates","229157","2020-10-21","18:00:00",""
"7230178","11.1999","0.0018","17.297","0.003","14.0431","0.0019","90","","124.762","0.009","90","","2235","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu4 N10 O19 -","- C26 H26 Cu4 N10 O19 -","- C52 H52 Cu8 N20 O38 -","2","0.5","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0747","0.0482","","","0.111","0.1217","","","","","","1.092","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230179","12.3214","0.0008","14.7121","0.001","6.7818","0.0005","90","","98.908","0.002","90","","1214.53","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co2 N4 O7 -","- C9 H8 Co2 N4 O7 -","- C36 H32 Co8 N16 O28 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0307","","","0.0791","0.0839","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230180","7.6026","0.0003","10.2758","0.0004","15.0264","0.0006","93.07","0.001","92.068","0.001","108.426","0.001","1110.38","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O7 Zn2 -","- C21 H14 N6 O7 Zn2 -","- C42 H28 N12 O14 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.028","0.0241","","","0.0618","0.0642","","","","","","1.08","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230181","13.427","0.0014","17.2924","0.0019","9.1168","0.0011","90","","107.616","0.004","90","","2017.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N6 O6 Zn2 -","- C19 H13 N6 O6 Zn2 -","- C76 H52 N24 O24 Zn8 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0536","0.0349","","","0.0798","0.0877","","","","","","1.039","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230182","7.9093","0.0014","8.4758","0.0014","11.879","0.002","105.314","0.005","105.849","0.006","94.385","0.006","729.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N5 O5 Zn2 -","- C14 H8 N5 O5 Zn2 -","- C28 H16 N10 O10 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0329","0.0267","","","0.0634","0.0662","","","","","","1.056","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230183","6.9787","0.0008","19.687","0.002","11.6833","0.0011","90","","92.269","0.004","90","","1603.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Mn2 N5 O6 -","- C13 H12 Mn2 N5 O6 -","- C52 H48 Mn8 N20 O24 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0327","","","0.0813","0.0844","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230185","7.5803","0.0007","10.411","0.001","19.476","0.002","90","","97.922","0.003","90","","1522.3","0.3","222","2","222.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C52 H72 N16 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0521","0.0388","","","0.0961","0.103","","","","","","1.034","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230186","15.0591","0.0011","6.7221","0.0005","16.0418","0.0012","90","","90","","90","","1623.9","0.2","172","2","172.53","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 N4 O7 S -","- C13 H20 N4 O7 S -","- C52 H80 N16 O28 S4 -","4","0.5","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0367","0.034","","","0.0845","0.0867","","","","","","1.097","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230187","10.8939","0.0007","12.2771","0.0009","16.6849","0.0013","90","","90","","90","","2231.5","0.3","222","2","222.14","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N8 O6 S -","- C19 H30 N8 O6 S -","- C76 H120 N32 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0842","0.0627","","","0.1202","0.1295","","","","","","1.123","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230188","6.2433","0.0014","35.039","0.009","10.477","0.003","90","","94.424","0.009","90","","2285.1","1","172","2","172.13","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N8 O7 S -","- C19 H32 N8 O7 S -","- C76 H128 N32 O28 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0431","0.039","","","0.0983","0.1004","","","","","","1.159","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230199","10.687","0.0006","11.1135","0.0007","14.7255","0.0009","83.684","0.001","77.214","0.001","63.156","0.001","1521.68","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","Di-m-phenylthio-bis(cyclopentadienyl carbonyl iron)","","- C15 H10 F2 Fe I O S -","- C15 H10 F2 Fe I O S -","- C60 H40 F8 Fe4 I4 O4 S4 -","4","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0619","0.037","","","0.0651","0.0731","","","","","","0.996","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230200","8.0151","0.0004","8.2003","0.0005","10.3911","0.0006","105.477","0.001","93.469","0.001","95.421","0.001","652.64","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl-(h5-cyclopentadienyl)-iodoiron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C10 H5 F2 Fe I2 O2 -","- C10 H5 F2 Fe I2 O2 -","- C20 H10 F4 Fe2 I4 O4 -","2","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0654","0.0665","","","","","","1.059","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230201","19.16","0.03","7.157","0.011","24.99","0.04","90","","90","","90","","3427","9","423","2","423.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-chloro-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Cl F4 Fe I2 O2 -","- C13 H5 Cl F4 Fe I2 O2 -","- C104 H40 Cl8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0491","0.029","","","0.0561","0.0631","","","","","","1.01","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230202","14.137","0.005","10.691","0.003","13.803","0.004","90","","95.373","0.005","90","","2077","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H12 Co F4 I3 O2 -","- C16 H12 Co F4 I3 O2 -","- C64 H48 Co4 F16 I12 O8 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.043","0.0383","","","0.0953","0.1021","","","","","","1.086","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230203","14.066","0.004","13.931","0.004","14.062","0.004","90","","117.28","0.005","90","","2449","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt","","- C10 H12 Co I O2 -","- C10 H12 Co I O2 -","- C80 H96 Co8 I8 O16 -","8","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0796","0.0489","","","0.0901","0.1028","","","","","","1.014","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230204","19.1299","0.0009","7.1259","0.0003","25.1867","0.0012","90","","90","","90","","3433.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-bromo-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Br F4 Fe I2 O2 -","- C13 H5 Br F4 Fe I2 O2 -","- C104 H40 Br8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0316","0.0227","","","0.0468","0.0499","","","","","","1.049","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230205","13.528","0.0004","11.6432","0.0004","11.7133","0.0004","90","","114.974","","90","","1672.45","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h5-cyclopentadienyl)-telleurophenyl-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H10 F2 Fe I O2 Te -","- C16 H10 F2 Fe I O2 Te -","- C64 H40 F8 Fe4 I4 O8 Te4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0212","0.0183","","","0.0419","0.0431","","","","","","1.0103","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230206","7.527","0.0004","14.1483","0.0009","34.3682","0.0019","90","","90","","90","","3660","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide hydrochloride oxalic acid","4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride oxalic acid","","- C15 H24 Cl2 N3 O4 -","- C15 H24 Cl2 N3 O4 -","- C120 H192 Cl16 N24 O32 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0488","0.0384","","","0.0875","0.0928","","","","","","1.123","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230207","12.1124","0.0017","8.5524","0.0012","16.849","0.003","90","","98.605","0.007","90","","1725.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Metoclopramide HCl Monohydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H25 Cl2 N3 O3 -","- C14 H25 Cl2 N3 O3 -","- C56 H100 Cl8 N12 O12 -","4","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0394","0.0318","","","0.0737","0.0772","","","","","","1.045","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230208","14.6866","0.0004","7.0245","0.0002","33.0316","0.0009","90","","90","","90","","3407.74","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide HCl anhydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H23 Cl2 N3 O2 -","- C14 H23 Cl2 N3 O2 -","- C112 H184 Cl16 N24 O16 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","1.54186","CuKα","","0.1485","0.0819","","","0.1996","0.2502","","","","","","0.98","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230210","33.6175","0.0018","33.6175","0.0018","20.9185","0.0013","90","","90","","120","","20473","2","173.15","","173.15","","","","","","","","","3","R -3","-R 3","148","","","","- C41 H59.33 O12.67 -","- C41 H56 O12.6667 -","- C738 H1008 O228 -","18","","","Payne, Richard M.; Oliver, Clive L.","A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption","CrystEngComm","2018","","","","","10.1039/C8CE00294K","","","0.71073","MoKα","","0.2085","0.1158","","","0.3286","0.3975","","","","","","1.165","","","","has coordinates,has disorder","206743","2020-10-21","18:00:00",""
"7230211","7.431","0.0015","8.7786","0.0018","10.589","0.002","87.15","0.03","82.23","0.03","82.29","0.03","677.9","0.2","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0559","0.0406","","","0.0825","0.0887","","","","","","1.063","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230212","14.396","0.003","14.183","0.003","15.458","0.003","90","","114.23","0.03","90","","2878.1","1.2","170","0.1","170","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 Cl12 Cu2 N4 -","- C20 H12 Cl12 Cu2 N4 -","- C80 H48 Cl48 Cu8 N16 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0237","0.0202","","","0.0503","0.052","","","","","","1.037","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230213","8.2021","0.0004","12.8425","0.0007","14.6338","0.0006","90","","91.109","0.005","90","","1541.17","0.13","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","1.54184","CuKα","","0.0446","0.0419","","","0.1009","0.1032","","","","","","1.077","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230214","3.7208","0.0001","15.9058","0.0005","11.7364","0.0005","90","","94.532","0.003","90","","692.42","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Cu F2 N2 -","- C10 H8 Cl2 Cu F2 N2 -","- C20 H16 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.1281","0.1171","","","0.2838","0.3002","","","","","","1.323","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230215","8.1656","0.0016","12.708","0.003","14.591","0.003","90","","91.79","0.03","90","","1513.3","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C40 H24 Br8 Cl16 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0277","0.0237","","","0.0526","0.0543","","","","","","1.06","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230216","8.4827","0.0017","13.075","0.003","14.721","0.003","90","","90.35","0.03","90","","1632.7","0.6","170","0.1","170","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0316","0.0243","","","0.0495","0.0514","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230217","7.8894","0.0016","14.316","0.003","13.494","0.003","90","","92.06","0.03","90","","1523.1","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Br4 Cl8 Cu2 N4 -","- C20 H12 Br4 Cl8 Cu2 N4 -","- C40 H24 Br8 Cl16 Cu4 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0259","0.0212","","","0.045","0.0466","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230218","4.0102","0.0007","8.4892","0.0013","10.1403","0.0013","90.863","0.012","92.738","0.013","97.811","0.014","341.54","0.09","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.0307","0.0263","","","0.0582","0.0608","","","","","","1.092","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230219","5.7104","0.0011","11.981","0.002","10.478","0.002","90","","103.66","0.03","90","","696.6","0.2","170","0.1","170","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0261","0.0206","","","0.0471","0.0488","","","","","","1.042","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230220","14.946","0.003","15.233","0.003","6.7384","0.0013","90","","91.82","0.03","90","","1533.4","0.5","170","0.1","170","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C40 H24 Br8 Cl8 Cu4 F8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0226","0.0197","","","0.0473","0.0483","","","","","","1.079","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230221","8.3678","0.0017","13.106","0.003","14.7","0.003","90","","90.12","0.03","90","","1612.1","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C40 H24 Cl16 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0434","0.0291","","","0.0503","0.0537","","","","","","1.02","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230222","8.0829","0.0016","14.605","0.003","13.664","0.003","90","","91.89","0.03","90","","1612.2","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Cl8 Cu2 I4 N4 -","- C20 H12 Cl8 Cu2 I4 N4 -","- C40 H24 Cl16 Cu4 I8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0215","0.0192","","","0.043","0.044","","","","","","1.067","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230223","7.31","0.003","11.315","0.004","13.857","0.005","71.67","0.03","89.38","0.03","77.11","0.03","1058.4","0.7","240.01","0.1","240.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C12 H28 Bi4 Cl16 N8 O4 -","2","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","","0.71073","MoKα","","0.038","0.0268","","","0.0502","0.0541","","","","","","1.052","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230224","7.449","0.003","13.654","0.004","20.679","0.006","90","","90","","90","","2103.2","1.2","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl8 N4 O2 Sb2 -","- C6 H14 Cl8 N4 O2 Sb2 -","- C24 H56 Cl32 N16 O8 Sb8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0254","0.0226","","","0.048","0.0493","","","","","","1.097","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230225","13.773","0.004","7.213","0.003","21.91","0.006","90","","107.53","0.03","90","","2075.6","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C24 H56 Bi8 Cl32 N16 O8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0437","0.0307","","","0.0603","0.0646","","","","","","1.044","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230226","28.529","0.003","14.5251","0.0015","13.6581","0.0014","90","","100.636","0.003","90","","5562.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.3 H45.4 La2 N2 O24 -","- C39.3 H33.3 La2 N2 O24 -","- C157.2 H133.2 La8 N8 O96 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0611","0.0454","","","0.1326","0.1422","","","","","","1.11","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230227","28.4907","0.0017","14.4061","0.0009","13.6706","0.0008","90","","99.059","0.002","90","","5541","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 Eu2 N2 O22 -","- C39 H33 Eu2 N2 O22 -","- C156 H132 Eu8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0448","0.0345","","","0.0941","0.1014","","","","","","1.084","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230228","28.754","0.004","14.412","0.002","13.787","0.002","90","","97.044","0.004","90","","5670.2","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H20.5 N O10.75 Sm -","- C19.5 H16.5 N O10.75 Sm -","- C156 H132 N8 O86 Sm8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0785","0.0539","","","0.1316","0.1425","","","","","","1.114","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230229","28.477","0.004","14.5281","0.0018","13.6564","0.0017","90","","100.456","0.003","90","","5556.1","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.65 H22.7 Ce N O12 -","- C19.65 H16.65 Ce N O12 -","- C157.2 H133.2 Ce8 N8 O96 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0628","0.0469","","","0.1344","0.1437","","","","","","1.077","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230230","28.214","0.006","14.429","0.003","13.411","0.003","90","","100.77","0.03","90","","5363","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N O11 Tb -","- C20 H17 N O11 Tb -","- C160 H136 N8 O88 Tb8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0724","0.0718","","","0.2235","0.2259","","","","","","1.058","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230231","28.445","0.006","14.543","0.003","13.394","0.003","90","","101.85","0.03","90","","5423","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H50 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C39 H33 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C156 H132 Eu0.8 La3.52 N8 O104 Tb3.68 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0632","0.0579","","","0.1735","0.1782","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230232","28.56","0.002","14.3583","0.0011","13.7162","0.0011","90","","97.985","0.002","90","","5570.1","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H39.2 N1.2 Nd2 O23 -","- C37 H27.8 N1.2 Nd2 O23 -","- C148 H111.2 N4.8 Nd8 O92 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0622","0.0414","","","0.1057","0.1138","","","","","","1.068","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230233","28.4551","0.0016","14.2978","0.0008","13.6672","0.0008","90","","98.243","0.001","90","","5503","0.5","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Dy2 N2 O22 -","- C39 H33 Dy2 N2 O22 -","- C156 H132 Dy8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0419","0.0356","","","0.0911","0.0963","","","","","","1.126","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230234","28.533","0.006","14.512","0.003","13.441","0.003","90","","101.87","0.03","90","","5447","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C39 H33 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C156 H132 Eu0.88 La5.28 N8 O104 Tb1.84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0797","0.0745","","","0.215","0.2208","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230235","28.4713","0.0018","14.2708","0.0009","13.643","0.0009","90","","97.961","0.002","90","","5489.8","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H47 Er2 N3 O22 -","- C42 H40 Er2 N3 O22 -","- C168 H160 Er8 N12 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0365","0.0304","","","0.077","0.0814","","","","","","1.122","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230236","28.48","0.004","14.496","0.0015","13.6564","0.0014","90","","100.308","0.005","90","","5547","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 N2 O24 Pr2 -","- C39 H33 N2 O24 Pr2 -","- C156 H132 N8 O96 Pr8 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0573","0.0413","","","0.1212","0.1294","","","","","","1.078","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230237","28.7055","0.0013","14.4824","0.0007","13.5829","0.0006","90","","97.525","0.001","90","","5598.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Gd2 N2 O22 -","- C39 H32 Gd2 N2 O22 -","- C156 H128 Gd8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0529","0.0445","","","0.1214","0.1283","","","","","","1.066","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230238","28.5245","0.0017","14.3258","0.0009","13.6361","0.0008","90","","97.979","0.002","90","","5518.3","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.2 H44 Ho2 N2.4 O21 -","- C39.2 H34.8 Ho2 N2.4 O21 -","- C156.8 H139.2 Ho8 N9.6 O84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0413","0.0347","","","0.0898","0.0951","","","","","","1.094","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230239","17.465","0.003","15.707","0.003","25.981","0.004","90","","110.398","0.003","90","","6680","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68.2 H85.4 Br2 N3 O1.8 -","- C61 H71 Br2 N3 -","- C244 H284 Br8 N12 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2138","0.1276","","","0.3386","0.3937","","","","","","1.098","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230240","12.424","0.0008","23.045","0.0015","15.197","0.0008","90","","99.05","0.007","90","","4296.9","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene-5,11-diium dichloride","","- C48 H50 Cl2 N2 -","- C48 H50 Cl2 N2 -","- C192 H200 Cl8 N8 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1205","0.0787","","","0.1945","0.2219","","","","","","1.027","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230241","22.071","0.003","25.991","0.003","28.554","0.004","90","","90","","90","","16380","4","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68 H90 Br2 N2 O3 -","- C56 H66 Br2 N2 -","- C448 H528 Br16 N16 -","8","","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2964","0.2302","","","0.5471","0.5847","","","","","","1.876","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7230242","24.343","0.003","15.987","0.004","17.571","0.005","90","","90","","90","","6838","3","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C72 H98 Br2 N2 O4 -","- C56 H66 Br2 N2 -","- C224 H264 Br8 N8 -","4","0.5","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1862","0.1047","","","0.2801","0.3288","","","","","","1.043","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7230243","15.0148","0.0017","9.6841","0.0011","25.874","0.003","90","","100.421","0.003","90","","3700.1","0.7","123","3","123","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-((6-butyl-2,4,8,10-tetraphenyl-6,7-dihydro-5H-dibenzo[c,e]azepin-1-yl)methyl)-N-ethylbutan-1-amine","","- C48 H48 N2 -","- C48 H48 N2 -","- C192 H192 N8 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1207","0.0681","","","0.1306","0.1512","","","","","","0.978","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230244","12.2542","0.0011","12.3204","0.0011","12.461","0.0011","91.981","0.007","106.699","0.007","93.107","0.007","1796.9","0.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene","","- C48 H48 N2 -","- C48 H48 N2 -","- C96 H96 N4 -","2","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.0777","0.0471","","","0.1044","0.1257","","","","","","1.099","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230245","16.5711","0.0007","14.2773","0.0005","18.0085","0.0007","90","","90","","90","","4260.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl4 Hg2 N8 O4 -","- C40 H36 Cl4 Hg2 N8 O4 -","- C160 H144 Cl16 Hg8 N32 O16 -","4","0.5","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0429","0.031","","","0.0704","0.075","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230246","14.925","0.0005","17.9225","0.0006","9.7074","0.0003","90","","99.086","0.002","90","","2564.08","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Hg I2 N5 O2 -","- C22 H21 Hg I2 N5 O2 -","- C88 H84 Hg4 I8 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0825","0.0448","","","0.1121","0.1254","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230247","16.5731","0.0007","14.3971","0.0005","18.3341","0.0007","90","","90","","90","","4374.6","0.3","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Br2 Hg N4 O2 -","- C20 H18 Br2 Hg N4 O2 -","- C160 H144 Br16 Hg8 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0789","0.0403","","","0.0746","0.0852","","","","","","0.966","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230248","16.9633","0.0005","9.3636","0.0002","29.0993","0.0007","90","","90","","90","","4622.1","0.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Hg I2 N4 O2 -","- C20 H18 Hg I2 N4 O2 -","- C160 H144 Hg8 I16 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0771","0.0334","","","0.0487","0.0577","","","","","","0.975","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230249","14.4848","0.0006","18.1541","0.0007","9.5331","0.0003","90","","98.561","0.003","90","","2478.88","0.16","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br2 Hg N5 O2 -","- C22 H21 Br2 Hg N5 O2 -","- C88 H84 Br8 Hg4 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.1003","0.0471","","","0.0899","0.1071","","","","","","1.002","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230250","6.711","0.002","14.834","0.005","12.391","0.004","90","","104.88","0.03","90","","1192.2","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl2 N2 O4 -","- C11 H8 Cl2 N2 O4 -","- C44 H32 Cl8 N8 O16 -","4","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0386","0.033","","","0.0787","0.0808","","","","","","1.133","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230251","8.463","0.003","8.976","0.003","10.962","0.004","95.57","0.02","111.82","0.03","109.33","0.02","706.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C26 H24 Cl4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0529","0.0464","","","0.1261","0.1326","","","","","","1.071","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230252","8.45","0.004","9.153","0.002","10.952","0.004","67.5","0.03","67.45","0.02","72.56","0.03","711","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br2 N2 O4 -","- C13 H12 Br2 N2 O4 -","- C26 H24 Br4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0305","0.0267","","","0.0744","0.077","","","","","","1.069","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230253","20.001","0.002","4.845","0.004","16.024","0.004","90","","125.35","0.03","90","","1266.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Br2 N2 O4 -","- C11 H8 Br2 N2 O4 -","- C44 H32 Br8 N8 O16 -","4","0.5","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0413","0.0376","","","0.0903","0.092","","","","","","1.228","","","","has coordinates,has disorder","229063","2020-10-21","18:00:00",""
"7230254","13.379","0.007","14.992","0.003","16.043","0.004","113.9","0.04","103.69","0.03","98.24","0.02","2753","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C104 H96 Cl16 N16 O32 -","8","4","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0897","0.0564","","","0.1414","0.1562","","","","","","1.041","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230255","21.288","0.0012","15.5482","0.0009","22.5226","0.0013","90","","90.53","0.001","90","","7454.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Ag10 F18 O7 -","- C58 H66 Ag10 F18 O7 -","- C232 H264 Ag40 F72 O28 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0413","0.0353","","","0.0739","0.0781","","","","","","1.188","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230256","15.9191","0.0012","18.5105","0.0014","16.4798","0.0013","90","","106.631","0.002","90","","4653","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H84 Ag12 F24 O10 -","- C70 H76 Ag12 F24 O10 -","- C140 H152 Ag24 F48 O20 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0634","0.0588","","","0.1559","0.1584","","","","","","1.156","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230257","15.8413","0.0016","17.2728","0.0017","20.951","0.002","97.908","0.002","91.893","0.002","110.129","0.002","5311.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H102 Ag16 Cl F21 O8 -","- C83 H102 Ag16 Cl F21 O8 -","- C166 H204 Ag32 Cl2 F42 O16 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0788","0.0573","","","0.1135","0.1302","","","","","","1.167","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230258","14.4518","0.0011","18.034","0.0014","24.852","0.0019","69.198","0.002","73.412","0.002","68.675","0.002","5548.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H110 Ag17 F21 O10 -","- C88 H110 Ag16.994 F21 O10 -","- C176 H220 Ag33.988 F42 O20 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0575","0.0463","","","0.1054","0.1137","","","","","","1.138","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230259","14.1186","0.001","18.0195","0.0012","26.5054","0.0019","90.783","0.002","92.624","0.002","100.746","0.002","6616.3","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H149 Ag22 F9 N2 O14 P2 -","- C101 H145 Ag22 F9 N2 O14 P2 -","- C202 H290 Ag44 F18 N4 O28 P4 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0735","0.0663","","","0.1546","0.16","","","","","","1.174","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230260","22.419","0.004","19.817","0.003","27.289","0.004","90","","106.543","0.004","90","","11622","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C172 H242 Ag40 F30 O33 P4 V2 -","- C172 H238 Ag40 F30 O33 P4 V2 -","- C344 H476 Ag80 F60 O66 P8 V4 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.1321","0.1009","","","0.2223","0.244","","","","","","1.09","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230261","19.6076","0.0011","27.3026","0.0017","28.806","0.0016","88.022","0.002","85.904","0.001","88.203","0.002","15365.9","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C228 H264 Ag48 F72 O38 V4 -","- C228 H258 Ag48 F72 O38 V4 -","- C456 H516 Ag96 F144 O76 V8 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0557","0.0389","","","0.0807","0.0909","","","","","","1.058","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230262","14.7978","0.0017","25.14","0.003","32.296","0.004","90","","90","","90","","12015","2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H110 Ag19 F21 Mo O14 -","- C88 H110 Ag19 F21 Mo O14 -","- C352 H440 Ag76 F84 Mo4 O56 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0964","0.0927","","","0.2172","0.2198","","","","","","1.114","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230267","13.022","0.002","22.619","0.004","12.962","0.002","90","","104.648","0.003","90","","3693.8","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CLD","","","- C15 H20 N28 O28 -","- C15 H20 N28 O28 -","- C60 H80 N112 O112 -","4","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Mo, Hongchang; Xu, Minghui; Zhang, Qian; Wang, Bozhou","Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation","CrystEngComm","2018","20","14","2060","","10.1039/C8CE00006A","","","0.71073","MoKα","","0.0539","0.0382","","","0.0922","0.1024","","","","","","1.013","","","","has coordinates","229067","2020-10-21","18:00:00",""
"7230268","7.0769","0.0008","12.5517","0.0014","17.9244","0.0018","82.908","0.005","87.892","0.005","84.717","0.005","1572.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Fe2 N24 O8 -","- C54 H71.2 Fe2 N24 O8.2 -","- C54 H71.2 Fe2 N24 O8.2 -","1","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.1227","0.0864","","","0.2133","0.2351","","","","","","1.005","","","","has coordinates","229059","2020-10-21","18:00:00",""
"7230269","7.1019","0.0003","22.0731","0.001","20.6168","0.001","90","","92.075","0.001","90","","3229.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Fe2 N24 O13 -","- C54 H65 Fe2 N24 O13 -","- C108 H130 Fe4 N48 O26 -","2","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0599","0.0546","","","0.1362","0.1404","","","","","","1.038","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230270","7.0696","0.0001","35.4378","0.0007","12.7602","0.0003","90","","94.789","0.001","90","","3185.67","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.4 -","- C27 H34 Fe N12 O5.4 -","- C108 H136 Fe4 N48 O21.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0625","0.053","","","0.1381","0.1443","","","","","","1.022","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230271","7.0846","0.0005","35.531","0.002","12.6872","0.0008","90","","94.818","0.002","90","","3182.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5 -","- C27 H34 Fe N12 O5 -","- C108 H136 Fe4 N48 O20 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0554","0.0469","","","0.1135","0.1191","","","","","","1.045","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230272","7.0887","0.0001","35.4699","0.0007","12.8214","0.0002","90","","94.72","0.001","90","","3212.82","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.9 -","- C27 H33.588 Fe N12 O5.9 -","- C108 H134.352 Fe4 N48 O23.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0595","0.0485","","","0.1179","0.1237","","","","","","1.078","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230273","31.5773","0.0005","36.4648","0.0005","38.7297","0.0009","90","","107.41","0.002","90","","42552.7","1.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Gd45 O388 -","- C81 H168 Cl4 Co7 Gd45 O254 -","- C324 H672 Cl16 Co28 Gd180 O1016 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1308","0.0835","","","0.22","0.2517","","","","","","1.031","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230274","31.6894","0.001","36.5011","0.0011","39.6432","0.0015","90","","107.229","0.003","90","","43798","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Gd45 Ni7 O388 -","- C70 H148 Cl4 Gd45 Ni7 O251 -","- C280 H592 Cl16 Gd180 Ni28 O1004 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.2456","0.124","","","0.2658","0.3184","","","","","","1.053","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230275","31.4199","0.0009","36.1969","0.0008","39.2591","0.0013","90","","107.313","0.003","90","","42627","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Dy45 O388 -","- C82 H175 Cl4 Co7 Dy45 O253 -","- C328 H700 Cl16 Co28 Dy180 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1511","0.0873","","","0.2249","0.2611","","","","","","1.023","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230276","31.3304","0.0013","35.9748","0.001","39.1007","0.0015","90","","107.174","0.004","90","","42106","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Dy45 Ni7 O388 -","- C82 H176 Cl4 Dy45 Ni7 O253 -","- C328 H704 Cl16 Dy180 Ni28 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1762","0.1043","","","0.2529","0.3065","","","","","","0.971","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230277","27.0371","0.0012","7.9845","0.0003","6.4776","0.0003","90","","90","","90","","1398.37","0.1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H19 Co Mo N6 O11 -","- C2 H19 Co Mo N6 O11 -","- C8 H76 Co4 Mo4 N24 O44 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0254","0.0223","","","0.0558","0.0567","","","","","","1.075","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230278","10.2131","0.0003","13.1299","0.0004","13.2356","0.0003","79.39","0.002","84.259","0.002","77.997","0.002","1702.85","0.08","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","1","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0324","0.0226","","","0.0462","0.0473","","","","","","0.908","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230279","10.7699","0.0005","22.3609","0.0009","15.1262","0.0008","90","","90","","90","","3642.8","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H46 Co2 Mo2 N8 O28 -","- C16 H44 Co2 Mo2 N8 O28 -","- C64 H176 Co8 Mo8 N32 O112 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0659","0.0423","","","0.0855","0.0946","","","","","","1.033","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230280","13.5465","0.0003","11.691","0.0003","28.9847","0.0007","90","","90","","90","","4590.37","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H64 Co2 Mo3 N12 O29 -","- C18 H50 Co2 Mo3 N12 O29 -","- C72 H200 Co8 Mo12 N48 O116 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0425","0.0311","","","0.067","0.0688","","","","","","0.913","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230281","12.8719","0.001","10.4734","0.0007","14.5744","0.001","90","","112.997","0.008","90","","1808.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H44 Co2 Mo2 N8 O27 -","- C16 H36 Co2 Mo2 N8 O27 -","- C32 H72 Co4 Mo4 N16 O54 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0662","0.0462","","","0.1202","0.1248","","","","","","0.984","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230282","10.0883","0.0012","11.928","0.0013","15.268","0.004","67.802","0.007","86.402","0.002","75.04","0.01","1642.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 Co2 Mo N8 O23 -","- C14 H46 Co2 Mo N8 O23 -","- C28 H92 Co4 Mo2 N16 O46 -","2","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0802","0.0571","","","0.132","0.1378","","","","","","0.911","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230283","10.5531","0.0003","16.1106","0.0006","23.2787","0.0007","90","","90","","90","","3957.8","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H50 Co2 Mo4 N12 O34 -","- C8 H49 Co2 Mo4 N12 O34 -","- C32 H196 Co8 Mo16 N48 O136 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0233","0.0198","","","0.0421","0.0426","","","","","","0.964","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230284","13.5099","0.001","17.5536","0.001","9.9621","0.0008","90","","87.737","0.006","90","","2360.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 Co2 Mo4 N12 O33 -","- C20 H60 Co2 Mo4 N12 O33 -","- C40 H120 Co4 Mo8 N24 O66 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.1009","0.0534","","","0.1317","0.1406","","","","","","0.893","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230287","6.9761","0.0006","7.6181","0.0006","8.3283","0.0007","90","","94.646","0.004","90","","441.15","0.06","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C18 H26 N2 O4 -","2","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0718","0.0709","","","0.2021","0.2041","","","","","","1.114","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230288","6.7615","0.0003","18.9173","0.0007","7.8044","0.0003","90","","105.934","0.0019","90","","959.9","0.07","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methoxybenzylammonium Formate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0281","0.0272","","","0.0738","0.0747","","","","","","1.052","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230289","16.7899","0.001","4.7766","0.0003","11.55","0.0006","90","","104.162","0.003","90","","898.14","0.09","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chlorobenzylammonium Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0472","0.0446","","","0.1072","0.1085","","","","","","1.143","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230290","6.9086","0.0003","17.9665","0.0007","9.184","0.0003","90","","90","","90","","1139.95","0.08","111","2","110.96","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Naphthylethylammonium Formate","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0313","0.0299","","","0.0793","0.081","","","","","","1.04","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230291","8.5468","0.0005","11.0536","0.0007","17.5296","0.001","90","","90","","90","","1656.07","0.17","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium Formate","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0398","0.0354","","","0.0975","0.1027","","","","","","1.045","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230292","16.9827","0.0008","4.8029","0.0002","11.5315","0.0006","90","","103.947","0.003","90","","912.85","0.08","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0435","0.0365","","","0.0982","0.1046","","","","","","0.945","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230293","17.09","0.008","4.909","0.002","11.565","0.006","90","","109.75","0.03","90","","913.2","0.8","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.072","0.0483","","","0.1261","0.1418","","","","","","1.024","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230294","16.7551","0.0013","4.8441","0.0004","11.4478","0.0009","90","","109.041","0.003","90","","878.3","0.12","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorobenzylammonum Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0242","0.0231","","","0.0648","0.0657","","","","","","1.103","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230295","8.6054","0.0008","16.7131","0.0015","39.418","0.003","90","","92.227","0.002","90","","5664.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H76 N4 O20 P6 Zn2 -","- C44 H76 N4 O20 P6 Zn2 -","- C176 H304 N16 O80 P24 Zn8 -","4","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.1062","0.0695","","","0.1614","0.174","","","","","","1.043","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230296","12.2401","0.0004","12.5701","0.0004","13.419","0.0005","93.658","0.002","94.07","0.002","94.367","0.002","2048.47","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cu2 N4 O15 P4 -","- C40 H38 Cu2 N4 O15 P4 -","- C80 H76 Cu4 N8 O30 P8 -","2","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.0443","0.0314","","","0.0735","0.0788","","","","","","1.071","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230297","7.81632","0.00004","7.81632","0.00004","4.01147","0.00003","90","","90","","120","","212.246","0.002","305","","305","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F9 Sc3 -","3","0.125","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.098","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230298","7.8163","0.00004","7.8163","0.00004","8.02294","0.00005","90","","90","","120","","424.489","0.004","305","","305","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F18 Sc6 -","6","0.25","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.094","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230299","11.7678","0.0007","7.1966","0.0005","17.1615","0.0011","90","","90","","90","","1453.38","0.16","100","2","100.05","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Bolla, Geetha; Myerson, Allan S.","SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation","CrystEngComm","2018","20","15","2084","","10.1039/C8CE00272J","","","0.71073","MoKα","","0.0417","0.0386","","","0.1131","0.116","","","","","","1.082","","","","has coordinates","229097","2020-10-21","18:00:00",""
"7230304","15.225","0.003","19.518","0.004","10.927","0.002","90","","93.42","0.03","90","","3241.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu3 N6 O10 -","- C24 H22 Cu3 N4 O10 -","- C96 H88 Cu12 N16 O40 -","4","0.5","","Yuan, Jiaqi; Mu, Li; Li, Jiantang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A water stable microporous metal‒organic framework based on rod SBUs: synthesis, structure and adsorption properties","CrystEngComm","2018","20","15","2169","","10.1039/C8CE00064F","","","0.71073","MoKα","","0.0217","0.0192","","","0.0522","0.053","","","","","","1.088","","","","has coordinates","229096","2020-10-21","18:00:00",""
"7230307","9.7557","0.0004","10.0386","0.0004","11.7809","0.0004","90","","100.132","0.003","90","","1135.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1072","0.0753","","","0.2202","0.2453","","","","","","1.049","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230308","9.6547","0.0005","10.057","0.0005","11.7482","0.0005","90","","100.553","0.004","90","","1121.42","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0768","0.051","","","0.126","0.1424","","","","","","1.053","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230309","18.786","0.003","20.184","0.003","11.6566","0.0017","90","","101.624","0.009","90","","4329.3","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1697","0.0736","","","0.1309","0.1626","","","","","","0.94","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230310","18.9397","0.0012","20.1917","0.0012","11.7038","0.0007","90","","101.45","0.003","90","","4386.7","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0705","0.0485","","","0.1192","0.1336","","","","","","1.06","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230311","9.5229","0.0013","10.1012","0.0011","11.7207","0.0014","90","","101.215","0.008","90","","1105.9","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1073","0.0738","","","0.1959","0.2203","","","","","","1.096","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230312","19.044","0.003","20.209","0.002","11.7215","0.0014","90","","101.207","0.008","90","","4425.1","1","190","2","190","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1165","0.0802","","","0.2145","0.2591","","","","","","1.11","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230315","14.5415","0.0018","5.0163","0.0006","14.8807","0.0018","90","","100.551","0.002","90","","1067.1","0.2","173","2","173","2","","","","","","","non-photochromic","4","P 1 21/n 1","-P 2yn","14","5Me3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0543","0.0426","","","0.1112","0.1185","","","","","","1.049","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230316","6.1596","0.0004","7.4634","0.0004","12.7106","0.0006","77.175","0.003","81.457","0.003","78.821","0.003","555.53","0.05","293","2","293","2","","","","","","","non-photochromic","4","P -1","-P 1","2","5OMe-3SAP","4-methoxy-2-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C26 H24 N4 O4 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0807","0.0618","","","0.1638","0.1998","","","","","","1.062","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230317","8.5222","0.0014","10.8771","0.0015","11.5925","0.0019","106.506","0.006","103.783","0.004","112.254","0.01","878.2","0.3","298","2","298","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br3SAP-3,4OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/3,4-dihydroxybenzoic acid","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1664","0.0644","","","0.1234","0.1606","","","","","","0.963","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230318","33.0322","0.0016","6.2046","0.0003","18.52","0.0008","90","","109.216","0.001","90","","3584.2","0.3","296","2","296","2","","","","","","","photochromic","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-4ClBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Br Cl N2 O3 -","- C19 H14 Br Cl N2 O3 -","- C152 H112 Br8 Cl8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0691","0.0452","","","0.1144","0.1468","","","","","","1.093","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230319","5.8531","0.0009","7.5224","0.0012","13.598","0.002","94.526","0.007","93.369","0.007","99.31","0.007","587.42","0.16","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br-5M3SAP","(E)-4-bromo-2-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C26 H22 Br2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0496","0.0341","","","0.0766","0.0826","","","","","","1.011","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230320","5.8388","0.0013","7.4762","0.0017","13.369","0.003","93.793","0.007","93.656","0.007","99.044","0.007","573.4","0.2","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Cl-5Me3SAP","4-chloro-6-[(E)-3-pyridylimino-5-methyl]phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C26 H22 Cl2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0518","0.0418","","","0.1126","0.1196","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230321","32.6081","0.0014","6.1424","0.0003","17.8481","0.0008","90","","106.922","0.003","90","","3420","0.3","173","2","173","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Br3SAP-BA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/benzoic acid","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C152 H120 Br8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0499","0.0416","","","0.1075","0.1145","","","","","","1.072","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230322","6.0801","0.0005","15.186","0.0013","16.4018","0.0014","90","","90","","90","","1514.4","0.2","293","2","293","2","","","","","","","non-photochromic","4","P 21 21 21","P 2ac 2ab","19","3Me-5MSAP","(E)-2-(tert-butyl)-6-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0573","0.0473","","","0.115","0.1221","","","","","","1.052","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230323","8.2123","0.0002","12.336","0.0002","13.0008","0.0002","65.655","0.001","78.648","0.001","83.568","0.001","1175.78","0.04","296","2","296","2","","","","","","","photochromic","5","P 1","P 1","1","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-dihydroxybenzoic acid","","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","1","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.065","0.0464","","","0.1011","0.1303","","","","","","1.123","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230324","34.7332","0.0018","3.8928","0.0002","28.2337","0.0015","90","","99.982","0.002","90","","3759.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-chrolobenzoic acid","","- C19 H13 Br Cl2 N2 O3 -","- C19 H13 Br Cl2 N2 O3 -","- C152 H104 Br8 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.1411","0.0982","","","0.2357","0.2972","","","","","","1.194","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230325","14.6532","0.0003","4.5263","0.0001","18.6301","0.0004","90","","92.499","0.002","90","","1234.46","0.05","293","2","293","2","","","","","","","non-photochromic","5","P 1 21/n 1","-P 2yn","14","35Br-3SAP","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C48 H32 Br8 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0471","0.0384","","","0.0988","0.1027","","","","","","1.038","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230326","26.1636","0.0006","3.8091","0.0001","34.4455","0.0006","90","","137.464","0.001","90","","2320.78","0.1","293","2","293","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","35Cl-3SAP","2,4-dichloro6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Cl2 N2 O -","- C12 H8 Cl2 N2 O -","- C96 H64 Cl16 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0603","0.0455","","","0.1208","0.1315","","","","","","1.099","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230327","32.818","0.008","6.238","0.0015","18.465","0.005","90","","109.44","0.004","90","","3564.6","1.6","296","2","296","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Cl3SAP-4ClBA","4-chloro-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Cl2 N2 O3 -","- C19 H14 Cl2 N2 O3 -","- C152 H112 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.081","0.0456","","","0.1141","0.1481","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230328","37.206","0.003","7.3594","0.0006","7.5694","0.0006","90","","91.589","0.002","90","","2071.8","0.3","296","2","296","2","","","","","","","photochromic","5","C 1 2 1","C 2y","5","35Br3SAP-35NO2BA","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol, 3,5-dinitrobenzoic acid","","- C19 H12 Br2 N4 O7 -","- C19 H12 Br2 N4 O7 -","- C76 H48 Br8 N16 O28 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0967","0.0473","","","0.1044","0.1427","","","","","","1.082","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230329","33.7985","0.0006","6.9174","0.0001","6.1746","0.0001","90","","92.79","0.001","90","","1441.9","0.04","173","2","173","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C60 H44 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.034","0.0316","","","0.0757","0.0786","","","","","","1.094","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230330","6.1462","0.0006","18.7572","0.0019","16.1025","0.0016","90","","95.859","0.002","90","","1846.7","0.3","297","2","297","2","","","","","","","photochromic","4","P 1 21 1","P 2yb","4","35tBu-3SAP","2,4-tert-butyl-6-[(E)-3-pyridyliminomethyl]phenol","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","2","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1515","0.0686","","","0.1397","0.1736","","","","","","1.03","","","","has coordinates,has disorder","229094","2020-10-21","18:00:00",""
"7230331","6.1651","0.0012","66.924","0.013","6.833","0.0013","90","","90","","90","","2819.2","0.9","93","2","93","2","","","","","","","non-photochromic","6","P n m a","-P 2ac 2n","62","5Br3SAP-13IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,3-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C120 H88 Br8 I8 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.6998","","","0.0339","0.0294","","","0.0768","0.0797","","","","","","1.06","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230332","3.8264","0.0001","20.7111","0.0007","21.2587","0.0008","90","","93.89","0.002","90","","1680.85","0.1","173","2","173","2","","","","","","","non-photochromic","5","P 1 21/c 1","-P 2ybc","14","5Br3SAP-2OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/2hydroxybenzoic acid","","- C19 H15 Br N2 O4 -","- C19 H15 Br N2 O4 -","- C76 H60 Br4 N8 O16 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0337","0.0312","","","0.0809","0.0834","","","","","","1.101","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230333","41.659","0.005","24.658","0.003","4.842","0.0006","90","","90","","90","","4973.8","1","293","2","293","2","","","","","","","non-photochromic","4","F d d 2","F 2 -2d","43","3OEt-3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0767","0.0474","","","0.1018","0.1202","","","","","","1.006","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230334","13.1386","0.0003","7.1572","0.0002","11.8627","0.0002","90","","116.8","0.001","90","","995.69","0.04","293","2","293","2","","","","","","","non-photochromic","4","P 1 21/c 1","-P 2ybc","14","4OH-3SAP","3hydroxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0439","0.0402","","","0.1153","0.1201","","","","","","1.08","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230335","37.851","0.002","6.9901","0.0004","6.168","0.003","90","","90.041","0.002","90","","1631.9","0.8","93","2","93","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IbiPh","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobiphenyl","","- C18 H13 Br I N2 O -","- C18 H13 Br I N2 O -","- C72 H52 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0417","0.0377","","","0.0813","0.0838","","","","","","1.05","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230336","6.8909","0.0004","11.4787","0.0006","13.1419","0.0007","76.205","0.004","89.221","0.004","85.231","0.004","1006.01","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1036","0.058","","","0.1443","0.1786","","","","","","1.006","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230337","27.449","0.007","7.0744","0.0017","21.677","0.006","90","","117.695","0.007","90","","3727.1","1.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl N O6 -","- C20 H22 Cl N O6 -","- C160 H176 Cl8 N8 O48 -","8","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1602","0.0668","","","0.1078","0.1273","","","","","","1.023","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230338","13.7071","0.0005","14.3458","0.0008","20.3751","0.0008","90","","90","","90","","4006.5","0.3","100.6","0.4","100.6","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H46 Cu2 N10 O13 -","- C32 H46 Cu2 N10 O12.99 -","- C128 H184 Cu8 N40 O51.96 -","4","0.5","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0737","0.0606","","","0.1486","0.1603","","","","","","1.039","","","","has coordinates,has disorder","228997","2020-10-21","18:00:00",""
"7230339","12.75","0.005","19.729","0.005","20.627","0.005","90","0.005","90","0.005","90","0.005","5189","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 Cu3 N12 O15 -","- C46 H58 Cu3 N12 O15 -","- C184 H232 Cu12 N48 O60 -","4","1","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0647","0.0483","","","0.1147","0.1248","","","","","","1.008","","","","has coordinates","228997","2020-10-21","18:00:00",""
"7230340","23.705","0.002","5.4148","0.0006","5.4345","0.0006","90","","90","","90","","697.56","0.12","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bismuth Tungstate","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","0.5","","Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang","Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties","CrystEngComm","2018","20","19","2669","","10.1039/C8CE00189H","","","0.71073","MoKα","","0.0313","0.0258","","","0.0674","0.071","","","","","","1.071","","","","has coordinates","229017","2020-10-21","18:00:00",""
"7230341","7.8674","0.0006","17.7109","0.0016","21.9456","0.0018","90","","98.763","0.002","90","","3022.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 I6 N2 O0 Pb2 -","- C16 H22 I6 N2 Pb2 -","- C64 H88 I24 N8 Pb8 -","4","1","","Wang, Yifang; Zhang, Jie; Huang, Jia; Zhang, Haoyu; Fu, Zhiyong","A lead-iodide based single crystal semiconductor: exploring multi-orientation photoconductive behaviour via intervening isopropyl viologen component between the inorganic [Pb2I6]2−n wires","CrystEngComm","2018","20","15","2089","","10.1039/C8CE00153G","","","0.71073","MoKα","","0.0583","0.0391","","","0.0898","0.103","","","","","","1.001","","","","has coordinates","229095","2020-10-21","18:00:00",""
"7230349","7.0822","0.0001","15.6783","0.0002","14.5087","0.0002","90","","96.968","0.001","90","","1599.1","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H9 F6 N -","- C19 H9 F6 N -","- C76 H36 F24 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0517","0.0458","","","0.118","0.1232","","","","","","1.049","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230350","15.1227","0.0003","15.8558","0.0003","14.7066","0.0003","90","","111.484","0.001","90","","3281.37","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C160 H88 F48 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0746","0.0413","","","0.0897","0.1043","","","","","","1.018","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230351","15.2613","0.0002","15.7199","0.0003","14.1251","0.0002","90","","92.822","0.001","90","","3384.59","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F9 N -","- C20 H8 F9 N -","- C160 H64 F72 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0467","0.0367","","","0.0918","0.1019","","","","","","1.043","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230352","10.5779","0.0002","8.9018","0.0002","16.0143","0.0004","90","","98.611","0.001","90","","1490.95","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N -","- C19 H12 F3 N -","- C76 H48 F12 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0575","0.0461","","","0.1234","0.1332","","","","","","1.038","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230353","15.848","0.0015","15.2591","0.0014","24.008","0.002","90","","107.003","0.002","90","","5552","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 F6 N -","- C16 H9 F6 N -","- C256 H144 F96 N16 -","16","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0562","0.0393","","","0.1011","0.1127","","","","","","1.022","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230354","9.6056","0.0004","9.6645","0.0003","18.9511","0.0009","102.483","0.001","100.815","0.002","90.058","0.003","1685.61","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C80 H44 F24 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.061","0.0498","","","0.1321","0.1418","","","","","","1.039","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230355","7.5758","0.0003","11.2809","0.0005","16.6769","0.0009","103.657","0.003","101.408","0.003","105.29","0.002","1283.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0566","0.0402","","","0.1053","0.1159","","","","","","1.024","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230356","10.2655","0.0004","17.261","0.0006","13.9511","0.0005","90","","90.431","0.002","90","","2471.96","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N -","- C15 H10 F3 N -","- C120 H80 F24 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0984","0.0623","","","0.1643","0.1901","","","","","","1.044","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230357","9.0038","0.0002","9.5959","0.0004","10.8293","0.0001","71.665","0.001","75.536","0.003","63.7","0.002","789.48","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F3 N -","- C20 H14 F3 N -","- C40 H28 F6 N2 -","2","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0453","0.0354","","","0.0922","0.0993","","","","","","1.04","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230358","10.7741","0.0005","16.4781","0.0007","22.9605","0.001","109.808","0.002","90.168","0.002","90.052","0.002","3835.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 F3 N -","- C23 H20 F3 N -","- C184 H160 F24 N8 -","8","4","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0753","0.0558","","","0.1317","0.1443","","","","","","1.035","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230359","18.5534","0.0002","22.8539","0.0003","20.0964","0.0003","90","","107.354","0.0015","90","","8133.3","0.2","291.11","0.1","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C60 H20 Cd N4 O24 -","- C60 H20 Cd N4 O24 -","- C240 H80 Cd4 N16 O96 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0599","0.055","","","0.15","0.1555","","","","","","1.046","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230360","10.2186","0.0002","36.8564","0.0009","15.2343","0.0004","90","","90","","90","","5737.6","0.2","99.98","0.02","99.98","0.02","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C34 H13 N4 O14 Zn2 -","- C34 H13 N4 O14 Zn2 -","- C136 H52 N16 O56 Zn8 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0825","0.0702","","","0.2199","0.2314","","","","","","1.156","","","","has coordinates,has disorder","229001","2020-10-21","18:00:00",""
"7230361","23.4194","0.0004","13.9077","0.0002","33.604","0.0006","90","","90.9341","0.0016","90","","10943.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H40 Ba4 N9 O31 -","- C71 H40 Ba4 N9 O31 -","- C284 H160 Ba16 N36 O124 -","4","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.1355","0.0981","","","0.2966","0.3198","","","","","","1.171","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230362","9.8893","0.0009","16.7182","0.0004","17.3044","0.0004","63.933","0.002","78.652","0.007","86.531","0.005","2518.6","0.3","291.87","0.1","291.87","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Ca2 Cl N6 O16 -","- C46 H47 Ca2 Cl N6 O16 -","- C92 H94 Ca4 Cl2 N12 O32 -","2","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","x-ray","1.54184","CuKα","","0.0693","0.0617","","","0.1762","0.1837","","","","","","1.091","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230363","12.749","0.003","26.186","0.005","8.2336","0.0016","90","","106.89","0.03","90","","2630.2","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I6 N2 O2 Pb -","- C18 H14 I6 N2 O2 Pb -","- C72 H56 I24 N8 O8 Pb4 -","4","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0482","0.0359","","","0.0716","0.076","","","","","","1.063","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230364","8.3858","0.0017","15.738","0.003","18.332","0.004","112.14","0.03","98.33","0.03","96.94","0.03","2176.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I7 N4 O5 Pb -","- C36 H30 I7 N4 O5 Pb -","- C72 H60 I14 N8 O10 Pb2 -","2","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0931","0.0589","","","0.1463","0.1715","","","","","","0.869","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230365","14.4059","0.0004","3.87086","0.0001","21.199","0.0005","90","","104.308","0.003","90","","1145.46","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0243","0.0217","","","0.0567","0.0586","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230366","10.3502","0.0004","4.57161","0.00014","22.7222","0.0012","90","","100.633","0.004","90","","1056.69","0.08","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0482","0.0336","","","0.0821","0.0886","","","","","","1.041","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230367","3.76509","0.0001","47.3024","0.0012","5.91017","0.00016","90","","91.941","0.003","90","","1051.98","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0574","0.055","","","0.1415","0.143","","","","","","1.228","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230368","3.7823","0.00011","22.3928","0.0006","12.7185","0.0004","90","","91.041","0.003","90","","1077.03","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-fluorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0374","0.0334","","","0.0865","0.0902","","","","","","1.072","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230369","11.6356","0.0005","3.82523","0.00014","25.2133","0.001","90","","91.488","0.004","90","","1121.84","0.08","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-chlorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0468","0.0372","","","0.0996","0.1056","","","","","","1.03","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230370","4.77341","0.00015","15.3325","0.0005","15.7201","0.0004","90","","90","","90","","1150.53","0.06","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-(4-bromophenyl)-2-(pyridin-3-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.041","0.0365","","","0.0851","0.0863","","","","","","1.016","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230371","3.8248","0.00007","5.9631","0.0001","48.2653","0.0008","90","","90","","90","","1100.82","0.03","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0547","0.0545","","","0.1262","0.1262","","","","","","1.178","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230372","7.4111","0.0002","15.5974","0.0005","10.2178","0.0003","90","","103.82","0.003","90","","1146.92","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-4-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0334","0.0257","","","0.061","0.0665","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230373","4.67306","0.00008","15.4504","0.0003","15.4973","0.0003","90","","90","","90","","1118.92","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0683","0.0695","","","","","","1.071","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230374","6.4852","0.0002","14.3549","0.0004","15.7193","0.0011","90","","90","","90","","1463.38","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl Cu N2 O7 -","- C14 H11 Cl Cu N2 O7 -","- C56 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","1.54184","CuKα","","0.0556","0.0532","","","0.1471","0.1493","","","","","","1.128","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230375","10.3927","0.0017","7.2489","0.0012","11.146","0.0018","90","","116.46","0.002","90","","751.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0345","0.0291","","","0.0633","0.0649","","","","","","1.006","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230376","7.0214","0.0012","18.01","0.003","19.735","0.003","90","","90","","90","","2495.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Cu N3 O4 -","- C12 H13 Cu N3 O4 -","- C96 H104 Cu8 N24 O32 -","8","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0605","0.0445","","","0.0892","0.0943","","","","","","1.157","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230377","6.5406","0.0013","14.063","0.003","15.063","0.003","90","","90","","90","","1385.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl Cu N2 O7 -","- C12 H11 Cl Cu N2 O7 -","- C48 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.024","0.0213","","","0.0547","0.0561","","","","","","1.083","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230378","10.2071","0.0006","9.4026","0.0005","16.5141","0.0009","90","","91.226","0.002","90","","1584.55","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl Cu N3 O8 -","- C12 H14 Cl Cu N3 O8 -","- C48 H56 Cl4 Cu4 N12 O32 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","","","0.0272","0.0236","","","0.06","0.0616","","","","","","1.075","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230379","13.128","0.0009","8.7729","0.0006","25.0767","0.0016","90","","90.356","0.002","90","","2888","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 Cu2 N6 O14 -","- C22 H26 Cl2 Cu2 N6 O14 -","- C88 H104 Cl8 Cu8 N24 O56 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0581","0.0379","","","0.0757","0.0819","","","","","","1.038","","","","has coordinates,has disorder","228999","2020-10-21","18:00:00",""
"7230393","8.7593","0.0018","13.386","0.004","19.541","0.004","90","","90","","90","","2291.2","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","zhu00010","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.0458","0.0395","","","0.1048","0.1106","","","","","","1.049","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230394","12.758","0.005","14.223","0.005","12.808","0.005","90","","93.522","0.004","90","","2319.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3O","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.1019","0.0879","","","0.27","0.2873","","","","","","1.064","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230395","20.3393","0.0003","20.3393","0.0003","23.9935","0.0004","90","","90","","120","","8596","0.2","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O40 P S3 -","- C27 H39 Mo12 O40 P S3 -","- C162 H234 Mo72 O240 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0741","0.0682","","","0.1423","0.1462","","","","","","1.11","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230396","20.1657","0.0006","20.1657","0.0006","24.1757","0.0008","90","","90","","120","","8514.1","0.5","150","0.1","150","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O43 P S3 -","- C27 H39 Mo12 O43 P S3 -","- C162 H234 Mo72 O258 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0894","0.086","","","0.178","0.1797","","","","","","1.159","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230397","12.4149","0.0007","12.6395","0.0006","23.2868","0.0009","95.806","0.004","95.886","0.004","115.353","0.005","3241.7","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H57 Mo12 O43 P S3 -","- C36 H57 Mo12 O43 P S3 -","- C72 H114 Mo24 O86 P2 S6 -","2","1","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","1.54184","CuKα","","0.05","0.042","","","0.1072","0.1141","","","","","","1.05","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230398","8.674","0.0004","9.2402","0.0004","9.7072","0.0004","94.987","0.002","109.996","0.002","90.045","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.043","0.0353","","","0.0925","0.0986","","","","","","1.042","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230399","8.6748","0.0004","9.2418","0.0004","9.7123","0.0005","95.073","0.002","110.088","0.002","90.128","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0361","0.0303","","","0.0799","0.0843","","","","","","1.03","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230400","9.866","0.0003","11.0557","0.0003","16.886","0.0005","80.416","0.002","88.478","0.003","86.132","0.002","1811.79","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0633","0.0395","","","0.0856","0.0961","","","","","","1.037","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230401","9.8533","0.0005","11.0612","0.0006","16.9145","0.0009","80.528","0.002","88.607","0.003","86.101","0.002","1814","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0598","0.0413","","","0.1012","0.1107","","","","","","1.013","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230402","9.8602","0.0005","11.0507","0.0006","16.8724","0.0009","80.39","0.002","88.453","0.004","86.193","0.002","1808.42","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0786","0.0475","","","0.1166","0.1316","","","","","","1.031","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230403","8.667","0.0002","9.2424","0.0003","9.701","0.0003","95.062","0.002","110.09","0.002","90.142","0.002","726.51","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0284","0.0252","","","0.0668","0.0698","","","","","","1.021","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230412","14.96","0.002","17.1","0.003","17.112","0.003","90","","110.277","0.009","90","","4106.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Fe N4 O2 -","- C52 H48 B Fe N4 O2 -","- C208 H192 B4 Fe4 N16 O8 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0767","0.043","","","0.0892","0.0965","","","","","","1.025","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230413","8.6116","0.0003","15.4474","0.0004","20.476","0.0006","90","","96.769","0.002","90","","2704.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl Fe N4 O4 -","- C30 H36 Cl Fe N4 O4 -","- C120 H144 Cl4 Fe4 N16 O16 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0566","0.0422","","","0.1172","0.1245","","","","","","1.066","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230414","16.4142","0.0003","15.1139","0.0004","20.9988","0.0006","90","","90","","90","","5209.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 B F4 Fe N4 O2 -","- C28 H28 B F4 Fe N4 O2 -","- C224 H224 B8 F32 Fe8 N32 O16 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0556","0.0331","","","0.0762","0.0834","","","","","","1.043","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230415","16.7007","0.0007","15.1105","0.0008","20.7773","0.0011","90","0.005","90","0.005","90","0.005","5243.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl Fe N4 O6 -","- C28 H28 Cl Fe N4 O6 -","- C224 H224 Cl8 Fe8 N32 O48 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71069","MoKα","","0.1147","0.0527","","","0.1055","0.1219","","","","","","0.93","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230416","9.0754","0.0018","10.218","0.002","20.432","0.004","76.34","0.03","80.19","0.03","68.14","0.03","1701.6","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","1","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1569","0.087","","","0.1766","0.2053","","","","","","1.015","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230417","19.703","0.004","16.999","0.003","27.263","0.005","90","","92.9","0.03","90","","9120","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H51 Cu2 F42 N6 O20 Y -","- C73 H51 Cu2 F42 N6 O20 Y -","- C292 H204 Cu8 F168 N24 O80 Y4 -","4","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1089","0.0898","","","0.2156","0.2304","","","","","","1.056","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230418","10.94","0.002","12.365","0.003","18.073","0.004","86.35","0.03","78.63","0.03","83.48","0.03","2379.2","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H26 Cu2 F24 N3 O11 -","- C39 H26 Cu2 F24 N3 O11 -","- C78 H52 Cu4 F48 N6 O22 -","2","1","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.0666","0.0553","","","0.1542","0.164","","","","","","1.036","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230419","12.0704","0.0003","8.5358","0.0001","17.9826","0.0003","90","","106.041","0.001","90","","1780.62","0.06","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Br2 N2 -","- C34 H58 Br2 N2 -","- C68 H116 Br4 N4 -","2","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0753","0.0667","","","0.2042","0.2152","","","","","","1.09","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230420","27.3945","0.0004","15.206","0.0002","11.1953","0.0002","90","","90","","90","","4663.52","0.12","130","2","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H68 Br2 Cl6 N2 -","- C40 H68 Br2 Cl6 N2 -","- C160 H272 Br8 Cl24 N8 -","4","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0436","0.0391","","","0.0937","0.0967","","","","","","1.047","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230421","57.9542","0.0014","8.3909","0.0002","10.5626","0.0003","90","","90","","90","","5136.5","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H41 N O4 S -","- C25 H41 N O4 S -","- C200 H328 N8 O32 S8 -","8","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0305","0.0291","","","0.0839","0.0856","","","","","","1.056","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230422","8.4477","0.0003","10.137","0.0003","29.0003","0.0008","97.1637","0.001","91.7536","0.0012","94.3756","0.0011","2454.83","0.13","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 F6 N O P -","- C23 H34 F6 N O P -","- C92 H136 F24 N4 O4 P4 -","4","2","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0733","0.0508","","","0.1347","0.1529","","","","","","1.05","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230423","10.5341","0.0002","20.31","0.0005","38.1037","0.0009","80.3923","0.001","83.5583","0.001","76.8971","0.001","7805.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 F6 N2 O5 S2 -","- C27 H38 F6 N2 O5 S2 -","- C270 H380 F60 N20 O50 S20 -","10","5","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0948","0.0767","","","0.2098","0.2363","","","","","","1.062","","","","has coordinates,has disorder","229100","2020-10-21","18:00:00",""
"7230424","8.3825","0.0004","14.3515","0.0008","13.3425","0.0007","90","","96.835","0.005","90","","1593.71","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0564","0.0424","","","0.0972","0.1038","","","","","","1.047","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230425","14.912","0.0004","6.9922","0.0002","37.2099","0.0013","90","","90","","90","","3879.8","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0657","0.0475","","","0.108","0.1163","","","","","","1.029","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230426","8.308","0.0004","13.9039","0.0008","13.658","0.0006","90","","96.642","0.004","90","","1567.1","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.7149","synchrotron","","0.0721","0.0531","","","0.13","0.1393","","","","","","1.042","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230427","10.4953","0.0009","19.9612","0.0019","8.1903","0.0007","90","","90","","90","","1715.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.1027","0.0564","","","0.0973","0.1144","","","","","","1.036","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230428","11.5183","0.0003","24.435","0.0007","7.1002","0.0002","90","","98.786","0.003","90","","1974.9","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C80 H104 Cl4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0578","0.048","","","0.1197","0.1257","","","","","","1.034","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230429","10.9418","0.0007","22.2438","0.0013","8.074","0.0006","90","","99.632","0.007","90","","1937.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0898","0.0539","","","0.096","0.1074","","","","","","1.06","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230430","17.696","0.0006","15.103","0.0004","6.9665","0.0003","90","","92.41","0.004","90","","1860.24","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O -","- C23 H22 Cl N O -","- C92 H88 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0588","0.0409","","","0.0997","0.1049","","","","","","1.011","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230431","11.768","0.003","25.295","0.005","7.006","0.002","90","","104.7","0.03","90","","2017.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","","- C19 H20 N2 O7 S -","- C19 H19.999 N2 O6.996 S0.999 -","- C76 H79.996 N8 O27.984 S3.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.1193","0.0611","","","0.1371","0.15","","","","","","1.027","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230432","18.8741","0.0012","6.2632","0.0003","14.2571","0.0007","90","","98.548","0.006","90","","1666.64","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0782","0.0713","","","0.1728","0.1773","","","","","","1.063","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230433","12.0289","0.0005","12.4435","0.0005","17.4047","0.0007","76.128","0.004","81.814","0.004","79.953","0.004","2476.58","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","","- C40 H60.5 N2 O22.5 P3.5 -","- C40 H56.5 N2 O22.501 P3.5 -","- C80 H113 N4 O45.002 P7 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0726","0.0536","","","0.1423","0.1599","","","","","","1.012","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230434","11.5976","0.0003","23.9015","0.0006","7.36093","0.00015","90","","98.766","0.002","90","","2016.62","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0395","0.0345","","","0.0873","0.092","","","","","","1.048","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230435","12.8779","0.0005","10.4911","0.0005","12.8498","0.0007","90","","94.836","0.004","90","","1729.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br N O1.5 -","- C19 H20.998 Br N O1.499 -","- C76 H83.992 Br4 N4 O5.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0626","0.0459","","","0.1022","0.1086","","","","","","1.049","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230436","7.227","0.003","10.0542","0.001","12.687","0.003","80.825","0.014","89","0.02","88.089","0.018","909.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C38 H38 N6 O12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.125","0.0646","","","0.1281","0.137","","","","","","1.046","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230437","7.8327","0.0005","16.019","0.0013","15.1017","0.0019","90","","90","","90","","1894.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0315","0.0302","","","0.0774","0.078","","","","","","1.014","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230438","17.8583","0.0018","15.1686","0.001","6.9757","0.0003","90","","93.704","0.007","90","","1885.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C92 H88 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0873","0.0697","","","0.1803","0.1897","","","","","","1.055","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230439","12.6562","0.0003","13.9654","0.0007","28.3803","0.0012","83.572","0.004","79.127","0.003","78.777","0.003","4817.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H104 N12 O37 P6 -","- C84 H104 N12 O37 P6 -","- C168 H208 N24 O74 P12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0726","0.0471","","","0.1149","0.1288","","","","","","1.005","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230440","11.6901","0.0009","12.0958","0.0011","13.7122","0.0012","94.427","0.001","109.263","0.002","117.662","0.003","1558.4","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 La N2 O8 -","- C36 H25 Fe2 La N2 O8 -","- C72 H50 Fe4 La2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1063","0.0827","","","0.2352","0.2527","","","","","","1.015","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230441","11.5732","0.0009","12.0184","0.0011","13.6433","0.0012","94.667","0.001","109.238","0.002","117.504","0.003","1526.2","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Ce Fe2 N2 O8 -","- C36 H25 Ce Fe2 N2 O8 -","- C72 H50 Ce2 Fe4 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0631","0.0443","","","0.0991","0.1096","","","","","","0.971","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230442","11.6308","0.0011","12.1047","0.0012","13.7228","0.0013","94.562","0.001","109.213","0.001","117.492","0.002","1555.4","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 Nd O8 -","- C36 H25 Fe2 N2 Nd O8 -","- C72 H50 Fe4 N4 Nd2 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0481","0.0366","","","0.0793","0.0841","","","","","","0.972","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230443","11.3229","0.0011","10.413","0.0009","17.3743","0.0015","90","","90.417","0.001","90","","2048.5","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Ce2 Fe3 O17 -","- C40 H42 Ce2 Fe3 O17 -","- C80 H84 Ce4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0787","0.0462","","","0.0966","0.1118","","","","","","0.996","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230444","11.3555","0.0011","10.4486","0.0009","17.4158","0.0016","90","","90.562","0.001","90","","2066.3","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Pr2 -","- C40 H42 Fe3 O17 Pr2 -","- C80 H84 Fe6 O34 Pr4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0864","0.0527","","","0.1154","0.1259","","","","","","0.911","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230445","11.6323","0.0008","12.0808","0.0011","13.7012","0.0012","94.556","0.001","109.291","0.002","117.462","0.002","1549.5","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Pr -","- C36 H25 Fe2 N2 O8 Pr -","- C72 H50 Fe4 N4 O16 Pr2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0505","0.0381","","","0.0827","0.088","","","","","","0.968","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230446","11.3463","0.0011","10.4194","0.0009","17.4356","0.0015","90","","90.709","0.001","90","","2061.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tb2 -","- C40 H42 Fe3 O17 Tb2 -","- C80 H84 Fe6 O34 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1053","0.0589","","","0.1366","0.1623","","","","","","0.825","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230447","11.2736","0.0012","10.3725","0.0011","17.2866","0.0017","90","","90.495","0.002","90","","2021.3","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Nd2 O17 -","- C40 H42 Fe3 Nd2 O17 -","- C80 H84 Fe6 Nd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1311","0.0642","","","0.1454","0.1848","","","","","","1.054","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230448","11.2587","0.0008","10.3499","0.0006","17.3086","0.0012","90","","90.52","0.001","90","","2016.8","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Eu2 Fe3 O17 -","- C40 H42 Eu2 Fe3 O17 -","- C80 H84 Eu4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","1.54178","CuKα","","0.0932","0.0703","","","0.1645","0.182","","","","","","1.027","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230449","11.2515","0.0011","10.3397","0.0009","17.251","0.0015","90","","90.612","0.001","90","","2006.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Gd2 O17 -","- C40 H42 Fe3 Gd2 O17 -","- C80 H84 Fe6 Gd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0991","0.0549","","","0.1307","0.166","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230450","11.6356","0.0011","12.1243","0.0012","13.7652","0.0012","94.708","0.001","109.147","0.002","117.358","0.003","1565.3","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Sm -","- C36 H25 Fe2 N2 O8 Sm -","- C72 H50 Fe4 N4 O16 Sm2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.064","0.0423","","","0.0705","0.0766","","","","","","0.903","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230451","11.4571","0.0008","11.9664","0.0009","13.6101","0.0011","94.904","0.001","109.074","0.002","117.141","0.003","1507","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 Gd N2 O8 -","- C36 H25 Fe2 Gd N2 O8 -","- C72 H50 Fe4 Gd2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0638","0.0467","","","0.1194","0.1291","","","","","","0.984","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230452","11.2058","0.0012","10.2498","0.0009","17.3112","0.0019","90","","90.708","0.001","90","","1988.2","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 La2 O17 -","- C40 H42 Fe3 La2 O17 -","- C80 H84 Fe6 La4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0888","0.0614","","","0.1702","0.1938","","","","","","1.034","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230453","14.7692","0.0012","10.8892","0.0009","21.5846","0.0016","90","","90.501","0.001","90","","3471.2","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.62 H27.86 Eu2 Fe3 O13.31 -","- C36.618 H27.854 Eu2 Fe3 O13.309 -","- C146.472 H111.416 Eu8 Fe12 O53.236 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0961","0.0506","","","0.0768","0.0909","","","","","","0.928","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230454","10.6759","0.0008","17.6542","0.0014","15.2541","0.0013","90","","107.965","0.002","90","","2734.8","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Tb2 -","- C62 H48 Fe3 N4 O14 Tb2 -","- C124 H96 Fe6 N8 O28 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.052","0.0315","","","0.0657","0.0753","","","","","","1.094","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230455","10.6759","0.0009","17.6628","0.0016","15.2933","0.0013","90","","108.152","0.002","90","","2740.3","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 Gd2 N4 O14 -","- C62 H48 Fe3 Gd2 N4 O14 -","- C124 H96 Fe6 Gd4 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0474","0.0295","","","0.0654","0.0746","","","","","","1.075","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230456","10.6942","0.0009","17.7327","0.0016","15.3367","0.0014","90","","108.478","0.002","90","","2758.5","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Sm2 -","- C62 H48 Fe3 N4 O14 Sm2 -","- C124 H96 Fe6 N8 O28 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0512","0.0302","","","0.0612","0.0698","","","","","","1.035","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230457","14.0408","0.0013","11.8581","0.0011","14.7027","0.0014","90","","108.905","0.002","90","","2315.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Fe2 N6 Nd2 O14 -","- C48 H32 Fe2 N6 Nd2 O14 -","- C96 H64 Fe4 N12 Nd4 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0757","0.0571","","","0.1418","0.1552","","","","","","1.003","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230458","10.7129","0.0009","17.7399","0.0015","15.3398","0.0013","90","","108.298","0.002","90","","2767.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Eu2 Fe3 N4 O14 -","- C62 H48 Eu2 Fe3 N4 O14 -","- C124 H96 Eu4 Fe6 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0684","0.0386","","","0.0752","0.0867","","","","","","1.05","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230459","11.2715","0.0009","10.3556","0.0008","17.3141","0.0015","90","","90.59","0.001","90","","2020.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Sm2 -","- C40 H42 Fe3 O17 Sm2 -","- C80 H84 Fe6 O34 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0782","0.0454","","","0.1172","0.1468","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230460","11.2291","0.0008","10.2751","0.0006","17.2975","0.0013","90","","90.784","0.001","90","","1995.6","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Er2 Fe3 O17 -","- C40 H42 Er2 Fe3 O17 -","- C80 H84 Er4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0605","0.0425","","","0.0937","0.105","","","","","","1.026","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230461","11.2407","0.0009","10.3184","0.0008","17.3146","0.0015","90","","90.809","0.001","90","","2008.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Dy2 Fe3 O17 -","- C40 H42 Dy2 Fe3 O17 -","- C80 H84 Dy4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1094","0.0569","","","0.1181","0.1489","","","","","","1.025","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230462","11.1973","0.0009","10.2417","0.0008","17.2793","0.0014","90","","90.797","0.001","90","","1981.4","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tm2 -","- C40 H42 Fe3 O17 Tm2 -","- C80 H84 Fe6 O34 Tm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.074","0.0433","","","0.1128","0.1442","","","","","","0.906","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230463","11.2469","0.0011","10.287","0.0009","20.5641","0.0018","90","","122.25","0.004","90","","2012.2","0.3","298","2","298.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H42 Fe3 O17 Yb2 -","- C40 H42 Fe3 O17 Yb2 -","- C80 H84 Fe6 O34 Yb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0671","0.0453","","","0.1153","0.1301","","","","","","0.805","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230464","14.3873","0.0012","10.9087","0.0009","21.6106","0.0017","90","","90.752","0.001","90","","3391.4","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C146.4 H111.2 Fe12 O53.2 Tb8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1146","0.0609","","","0.1277","0.1549","","","","","","1.043","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230465","14.8077","0.0012","10.8766","0.0009","21.5334","0.0018","90","","90.597","0.001","90","","3467.9","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.67 H28 Fe3 O13.34 Sm2 -","- C36.668 H28.004 Fe3 O13.334 Sm2 -","- C146.672 H112.016 Fe12 O53.336 Sm8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0989","0.052","","","0.1062","0.1302","","","","","","0.981","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230481","14.1373","0.0003","11.23707","0.00018","9.45521","0.00017","90","","106.276","0.0019","90","","1441.87","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zonisamide-2-hydroxy-5-methylpyridine","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","0.71073","MoKα","","0.0324","0.0301","","","0.0775","0.079","","","","","","1.056","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230482","9.5902","0.0001","13.3084","0.0001","14.2436","0.0001","90","","91.855","0.001","90","","1816.96","0.03","297.3","0.4","297.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zonisamide:Caffeine","","- C16 H18 N6 O5 S -","- C16 H18 N6 O5 S -","- C64 H72 N24 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","1.54184","CuKα","","0.0504","0.0504","","","0.1446","0.1446","","","","","","1.041","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230490","9.1533","0.0004","11.0888","0.0004","18.0746","0.0007","100.192","0.003","103.814","0.004","90.08","0.003","1751.55","0.13","143","","143","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1228","0.0684","","","0.153","0.1855","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230491","9.1764","0.0004","11.1823","0.0004","18.1079","0.0007","79.869","0.003","76.15","0.003","89.88","0.003","1774.4","0.12","243","","243","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1548","0.0783","","","0.1777","0.2265","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230492","9.1906","0.0005","11.229","0.0006","18.12","0.0009","79.943","0.004","76.137","0.004","89.745","0.004","1786.27","0.17","293","","293","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1783","0.0818","","","0.1859","0.2478","","","","","","1.027","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230493","9.2864","0.0007","11.4128","0.0007","18.2356","0.0012","80.141","0.006","76.139","0.006","89.451","0.006","1847.7","0.2","393","","393","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2562","0.0857","","","0.1952","0.2965","","","","","","0.956","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230494","9.1682","0.0004","11.1406","0.0004","18.1008","0.0007","79.815","0.003","76.166","0.004","89.991","0.003","1765.17","0.13","193","","193","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.133","0.0719","","","0.1601","0.1991","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230495","9.241","0.0005","11.3265","0.0006","18.1906","0.001","80.038","0.005","76.141","0.005","89.607","0.005","1819.49","0.18","343","","343","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2086","0.0841","","","0.1908","0.2665","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230496","7.2349","0.0009","9.5192","0.0015","9.8308","0.0018","87.588","0.014","84.227","0.012","70.714","0.013","635.79","0.18","443","","443","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C26 H30 N6 -","1","0.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1253","0.0758","","","0.2415","0.3135","","","","","","0.965","","","","has coordinates,has disorder","229014","2020-10-21","18:00:00",""
"7230503","14.2424","0.0008","5.0793","0.0003","33.737","0.002","90","","95.632","0.004","90","","2428.8","0.2","123","2","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O7 -","- C27 H24 N4 O7 -","- C108 H96 N16 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0623","0.0473","","","0.1374","0.1485","","","","","","1.05","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230504","21.6006","0.0007","6.6844","0.0003","13.556","0.0005","90","","92.0997","0.0019","90","","1956","0.13","296.15","","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0578","0.0524","","","0.1438","0.1489","","","","","","1.045","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230505","6.5955","0.0013","8.4859","0.0017","10.52","0.002","97.89","0.03","104.35","0.03","105.18","0.03","537.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0623","0.0457","","","0.1113","0.1458","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230506","9.4773","0.0019","11.234","0.002","11.395","0.002","103.42","0.03","105.59","0.03","111.57","0.03","1009.9","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Li3 O17 S2 -","- C14 H15 Li3 O17 S2 -","- C28 H30 Li6 O34 S4 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1022","0.0569","","","0.1578","0.2264","","","","","","1.049","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230507","7.9183","0.0016","23.776","0.005","14.591","0.003","90","","91.53","0.03","90","","2746","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Li4 O25 S2 -","- C14 H30 Li4 O25 S2 -","- C56 H120 Li16 O100 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0914","0.051","","","0.1158","0.1678","","","","","","1.099","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230508","6.744","0.002","7.4426","0.0015","11.956","0.004","82.36","0.03","75.55","0.03","65.57","0.02","528.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Li O9 S -","- C7 H9 Li O9 S -","- C14 H18 Li2 O18 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0835","0.0551","","","0.1154","0.1296","","","","","","1.034","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230509","6.7774","0.0014","19.536","0.004","12.428","0.004","90","","107.44","0.03","90","","1569.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Li2 O14 S -","- C7 H18 Li2 O14 S -","- C28 H72 Li8 O56 S4 -","4","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0628","0.0601","","","0.0678","0.0831","","","","","","1.009","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230510","6.6823","0.0013","22.875","0.005","17.016","0.003","90","","99.25","0.03","90","","2567.2","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Li4 O24 S2 -","- C14 H28 Li4 O24 S2 -","- C56 H112 Li16 O96 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1017","0.0658","","","0.1543","0.183","","","","","","1.089","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230511","7.654","0.0015","7.9908","0.0016","11.596","0.002","100.74","0.03","92.23","0.03","117.66","0.03","610.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Li2 O11 S -","- C7 H12 Li2 O11 S -","- C14 H24 Li4 O22 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1129","0.0565","","","0.1157","0.1858","","","","","","1.077","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230512","6.7398","0.0013","8.9279","0.0018","11.803","0.002","94.93","0.03","96.12","0.03","106.26","0.03","672.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0601","0.0542","","","0.1483","0.1587","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230514","6.416","0.014","3.922","0.009","31.56","0.06","90","","90.01","0.03","90","","794","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1572","0.1008","","","0.2796","0.3288","","","","","","1.026","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230515","6.394","0.004","3.753","0.002","31.224","0.017","90","","90.01","0.03","90","","749.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.53 F1.47 O2 -","- C9 H6.53 F1.47 O2 -","- C36 H26.12 F5.88 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.139","0.1064","","","0.3002","0.3471","","","","","","1.04","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230516","6.326","0.004","3.7474","0.0014","32.081","0.017","90","","91.7","0.03","90","","760.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.54 O2 -","- C9 H6.459 F1.541 O2 -","- C36 H25.836 F6.164 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1508","0.1031","","","0.2628","0.3089","","","","","","1.009","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230517","3.7371","0.0002","6.3196","0.0003","32.5261","0.0014","90","","92.317","0.002","90","","767.54","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.39 F1.62 O2 -","- C9 H6.385 F1.615 O2 -","- C36 H25.54 F6.46 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0831","0.0681","","","0.1698","0.1765","","","","","","1.092","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230518","3.7435","0.0001","6.3336","0.0002","32.481","0.0009","90","","92.31","0.001","90","","769.49","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.44 F1.56 O2 -","- C9 H6.437 F1.563 O2 -","- C36 H25.748 F6.252 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0595","0.0481","","","0.1181","0.1247","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230519","3.738","0.005","6.608","0.009","31.18","0.04","90","","90.847","0.016","90","","770.1","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.29 F1.71 O2 -","- C9 H6.294 F1.706 O2 -","- C36 H25.176 F6.824 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0793","0.0653","","","0.1634","0.1748","","","","","","1.053","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230520","3.7401","0.0011","6.5015","0.0018","32.588","0.009","90","","92.075","0.015","90","","791.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.1 F1.9 O2 -","- C9 H6.1 F1.9 O2 -","- C36 H24.4 F7.6 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1121","0.092","","","0.2456","0.2681","","","","","","1.007","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230521","3.7674","0.0011","6.5778","0.0019","31.345","0.009","90","","91.121","0.015","90","","776.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.24 F1.76 O2 -","- C9 H6.24 F1.76 O2 -","- C36 H24.96 F7.04 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0997","0.0807","","","0.235","0.2528","","","","","","1.096","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230522","3.886","0.01","6.464","0.016","31.73","0.08","90","","92.54","0.03","90","","796","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.126","0.0901","","","0.2832","0.3283","","","","","","1.055","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230523","3.789","0.004","6.337","0.006","15.846","0.016","84.53","0.02","85.15","0.019","87.11","0.03","377","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0702","0.0647","","","0.1767","0.1834","","","","","","0.999","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230524","3.807","0.008","6.296","0.013","15.98","0.03","84.74","0.04","84.44","0.04","86.65","0.05","379.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H6.995 F1.005 O2 -","- C18 H13.99 F2.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0862","0.0611","","","0.1579","0.1827","","","","","","0.912","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230525","3.7384","0.0013","6.621","0.003","31.171","0.01","90","","90.852","0.019","90","","771.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.47 F1.54 O2 -","- C9 H6.465 F1.535 O2 -","- C36 H25.86 F6.14 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0728","0.0591","","","0.149","0.1592","","","","","","0.983","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230526","6.322","0.003","3.7467","0.0016","32.162","0.013","90","","91.57","0.02","90","","761.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.43 F1.57 O2 -","- C9 H6.432 F1.568 O2 -","- C36 H25.728 F6.272 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1457","0.1032","","","0.2698","0.3042","","","","","","1.068","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230527","3.768","0.016","6.37","0.03","32.12","0.13","90","","92.13","0.06","90","","770","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.36 F1.64 O2 -","- C9 H6.362 F1.638 O2 -","- C36 H25.448 F6.552 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1661","0.1131","","","0.305","0.3644","","","","","","1.076","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230528","3.749","0.008","6.347","0.014","32.46","0.07","90","","92.23","0.03","90","","772","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.3 F1.7 O2 -","- C9 H6.297 F1.703 O2 -","- C36 H25.188 F6.812 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.114","0.0897","","","0.25","0.2822","","","","","","1.043","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230529","3.756","0.009","6.293","0.016","16.06","0.04","86.11","0.04","85.37","0.06","87.17","0.05","377.1","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.491 F1.509 O2 -","- C18 H12.982 F3.018 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1225","0.0803","","","0.2028","0.2487","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230530","3.783","0.006","6.316","0.01","16.16","0.03","86.25","0.02","85.69","0.04","87.28","0.03","383.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.5 F1.51 O2 -","- C9 H6.495 F1.505 O2 -","- C18 H12.99 F3.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.09","0.0622","","","0.1487","0.1701","","","","","","1.036","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230531","3.742","0.0013","6.613","0.003","31.174","0.015","90","","90.79","0.02","90","","771.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.55 F1.45 O2 -","- C9 H6.546 F1.454 O2 -","- C36 H26.184 F5.816 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0948","0.0784","","","0.1968","0.2128","","","","","","0.998","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230532","3.8093","0.0005","6.5708","0.0009","31.453","0.004","90","","90.551","0.004","90","","787.24","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1455","0.0981","","","0.2675","0.3211","","","","","","0.974","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230533","6.307","0.012","3.778","0.007","31.68","0.05","90","","91.02","0.04","90","","755","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1214","0.0795","","","0.1825","0.2027","","","","","","0.814","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230534","3.7681","0.0016","6.618","0.003","31.762","0.015","90","","95.72","0.03","90","","788.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.76 F1.24 O2 -","- C9 H6.762 F1.238 O2 -","- C36 H27.048 F4.952 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1249","0.0932","","","0.2133","0.2395","","","","","","1.131","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230535","3.735","0.004","6.614","0.008","31.11","0.03","90","","90.93","0.02","90","","768.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.31 F1.69 O2 -","- C9 H6.308 F1.692 O2 -","- C36 H25.232 F6.768 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0959","0.0781","","","0.1698","0.1836","","","","","","0.969","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230536","3.8154","0.0004","6.3634","0.0006","32.845","0.003","90","","91.146","0.003","90","","797.28","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0754","0.0605","","","0.1473","0.1592","","","","","","1.075","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230537","3.7189","0.0003","6.4694","0.0006","32.965","0.003","90","","92.198","0.004","90","","792.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0526","0.0473","","","0.1252","0.1297","","","","","","1.031","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230538","6.578","0.002","3.7325","0.001","31.302","0.011","90","","90.178","0.015","90","","768.5","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.487 F1.513 O2 -","- C36 H25.948 F6.052 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1023","0.0727","","","0.186","0.2147","","","","","","1.062","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230539","3.769","0.009","6.599","0.015","31.6","0.07","90","","91.27","0.03","90","","786","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.26 F1.74 O2 -","- C9 H6.264 F1.736 O2 -","- C36 H25.056 F6.944 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1139","0.0957","","","0.2303","0.2547","","","","","","0.958","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230540","6.348","0.011","3.765","0.007","32.16","0.06","90","","91.47","0.03","90","","768","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.55 O2 -","- C9 H6.455 F1.545 O2 -","- C36 H25.82 F6.18 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1389","0.1082","","","0.2826","0.3252","","","","","","1.057","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230541","21.287","0.003","21.287","0.003","6.9924","0.001","90","","90","","90","","3168.5","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H8 O27 P4 U4 -","- C12 H8 O27 P4 U4 -","- C48 H32 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0456","0.0399","","","0.0964","0.0988","","","","","","1.062","","","","has coordinates,has disorder","229104","2020-10-21","18:00:00",""
"7230542","21.114","0.006","21.114","0.006","6.941","0.002","90","","90","","90","","3094.3","1.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 O27 P4 U4 -","- C12 H16 O27 P4 U4 -","- C48 H64 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0405","0.0351","","","0.0776","0.0798","","","","","","1.057","","","","has coordinates","229104","2020-10-21","18:00:00",""
"7230543","29.3603","0.0005","29.3603","0.0005","20.4187","0.0004","90","","90","","120","","15243.3","0.5","296","2","296","2","","","","","","","","6","P 32","P 32","145","lamivudine duplex V","","","- C36 H48 F6 N12 O17 S4 -","- C36 H48 F6 N12 O17 S4 -","- C432 H576 F72 N144 O204 S48 -","12","4","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0922","0.0649","","","0.1625","0.1863","","","","","","1.025","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230544","6.2322","0.0007","13.2055","0.0015","17.424","0.002","90","","90","","90","","1434","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","lamivudine perchlorate monohydrate","","","- C8 H14 Cl N3 O8 S -","- C8 H14 Cl N3 O8 S -","- C32 H56 Cl4 N12 O32 S4 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0721","0.0469","","","0.1052","0.1194","","","","","","1.032","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230545","6.756","0.002","10.726","0.003","23.809","0.008","90","","90","","90","","1725.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen sulfate","","","- C8 H13 N3 O7 S2 -","- C8 H13 N3 O7 S2 -","- C32 H52 N12 O28 S8 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.1028","0.0839","","","0.2231","0.2463","","","","","","1.042","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230546","6.7148","0.0014","17.982","0.006","19.374","0.005","90","","90","","90","","2339.3","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine sulfate","","","- C16 H24 N6 O10 S3 -","- C16 H24 N6 O10 S3 -","- C64 H96 N24 O40 S12 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0806","0.0488","","","0.0978","0.1141","","","","","","1.024","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230547","14.838","0.001","14.838","0.001","42.003","0.003","90","","90","","120","","8008.7","1","293","2","293","2","","","","","","","","6","P 61","P 61","169","lamivudine duplex VI","","","- C36 H48 Cl6 N12 O17 S4 -","- C36 H48 Cl6 N12 O17 S4 -","- C216 H288 Cl36 N72 O102 S24 -","6","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.2581","0.1421","","","0.3309","0.4163","","","","","","1.243","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230548","10.217","0.003","13.069","0.004","14.918","0.005","90","","95.342","0.007","90","","1983.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine propan-1-ol","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-\ thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-1-ol solvate","","- C20 H28 N4 O S -","- C20 H28 N4 O S -","- C80 H112 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Reutzel-Edens, Susan M.; Johnston, Blair F.; Florence, Alastair J.","A random forest model for predicting crystal packing of olanzapine solvates","CrystEngComm","2018","20","28","3947","","10.1039/C8CE00261D","","","0.71073","MoKα","","0.0927","0.0531","","","0.1229","0.1383","","","","","","0.928","","","","has coordinates","228883","2020-10-21","18:00:00",""
"7230559","15.582","0.003","19.365","0.002","22.631","0.004","91.544","0.007","92.106","0.015","93.021","0.013","6811.9","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H127 F9 O52 Ti13 -","- C105 H117 F9 O52 Ti13 -","- C210 H234 F18 O104 Ti26 -","2","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","0.71073","MoKα","","0.1636","0.0925","","","0.2263","0.2754","","","","","","1.036","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230560","30.9695","0.0005","17.8839","0.0003","26.09","0.0004","90","","108.239","0.002","90","","13724.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C113 H260 O55 Ti14 -","- C113 H168 O55 Ti14 -","- C452 H672 O220 Ti56 -","4","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","1.54178","CuKα","","0.1027","0.0851","","","0.228","0.2498","","","","","","1.061","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230563","7.3454","0.0013","6.2161","0.001","10.797","0.0018","90","","108.144","0.015","90","","468.48","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","1","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0895","0.0673","","","0.184","0.1977","","","","","","1.001","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230564","10.3679","0.001","6.4569","0.0007","18.3125","0.0015","90","","98.023","0.007","90","","1213.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30.52 N6 Ni O7.26 -","- C20 H30.5252 N6 Ni O7.262 -","- C40 H61.0504 N12 Ni2 O14.524 -","2","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0751","0.052","","","0.1396","0.1533","","","","","","1.078","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230565","6.7306","0.0012","8.9921","0.0013","10.4338","0.0015","95.898","0.012","91.502","0.013","99.545","0.014","618.84","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.66 N7.23 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","1","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0653","0.0559","","","0.1394","0.1507","","","","","","1.114","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230566","5.72409","0.00005","7.91013","0.00008","5.45235","0.00006","90","","90","","90","","246.873","0.004","302","2","302","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy O6 Sc2 Tb -","- Dy O6 Sc2 Tb -","- Dy2 O12 Sc4 Tb2 -","2","0.25","","Guguschev, C.; Hidde, J.; Gesing, T. M.; Gogolin, M.; Klimm, D.","Czochralski growth and characterization of TbxGd1−xScO3 and TbxDy1−xScO3 solid-solution single crystals","CrystEngComm","2018","20","20","2868","","10.1039/C8CE00335A","","","0.71073","MoKα","","0.0182","0.0167","","","0.0393","0.0397","","","","","","1.373","","","","has coordinates","229042","2020-10-21","18:00:00",""
"7230567","9.643","0.002","9.643","0.002","32.282","0.008","90","","90","","120","","2599.7","1","293","2","293","2","","","","","","","","6","P 65","P 65","170","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C102 H78 Br12 N6 O12 S6 -","6","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.061","0.0437","","","0.107","0.1174","","","","","","1.036","","","","has coordinates,has disorder","229109","2020-10-21","18:00:00",""
"7230568","9.071","0.003","8.725","0.003","11.441","0.004","90","","112.448","0.004","90","","836.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C34 H26 Br4 N2 O4 S2 -","2","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.0531","0.0455","","","0.1178","0.1224","","","","","","1.075","","","","has coordinates","229109","2020-10-21","18:00:00",""
"7230572","15.9888","0.0003","10.0556","0.0002","23.151","0.0006","90","","98.775","0.002","90","","3678.58","0.14","130","2","129.6","0.8","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H36 Cd N6 O7 -","- C30 H36 Cd N6 O7 -","- C120 H144 Cd4 N24 O28 -","4","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0734","0.059","","","0.1426","0.152","","","","","","1.089","","","","has coordinates,has disorder","229043","2020-10-21","18:00:00",""
"7230573","10.215","0.0002","11.9013","0.0002","12.6419","0.0002","80.608","0.001","84.697","0.001","80.66","0.001","1492.76","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cd N5 O9 -","- C27 H33 Cd N5 O9 -","- C54 H66 Cd2 N10 O18 -","2","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","","0.71073","MoKα","","0.027","0.0264","","","0.0695","0.0699","","","","","","1.075","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230574","9.3264","0.0002","10.388","0.0002","12.3659","0.0002","104.506","0.002","94.778","0.002","102.756","0.002","1118.97","0.04","130","2","130.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","1","0.5","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0425","0.0346","","","0.084","0.0894","","","","","","1.094","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230579","39.2679","0.0014","39.2679","0.0014","16.5666","0.0007","90","","90","","120","","22122.8","1.5","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","NU1000","","- C88 H44 O32 Zr6 -","- C88 H44 O32 Zr6 -","- C264 H132 O96 Zr18 -","3","0.125","","Islamoglu, Timur; Otake, Ken-ichi; Li, Peng; Buru, Cassandra T.; Peters, Aaron W.; Akpinar, Isil; Garibay, Sergio J.; Farha, Omar K.","Revisiting the structural homogeneity of NU-1000, a Zr-based metal‒organic framework","CrystEngComm","2018","20","39","5913","","10.1039/C8CE00455B","","","1.54178","CuKα","","0.0722","0.0616","","","0.1614","0.1715","","","","","","1.033","","","","has coordinates","228980","2020-10-21","18:00:00",""
"7230584","8.151","0.007","14.06","0.012","16.644","0.013","97.54","0.03","93.66","0.03","102.91","0.03","1835","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C82 H76 B2 Br2 N4 S2 -","2","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1066","0.0511","","","0.1092","0.1298","","","","","","1.018","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230585","10.5728","0.0002","13.7128","0.0003","13.8757","0.0003","90","","108.542","0.001","90","","1907.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 S -","- C23 H17 Br N2 S -","- C92 H68 Br4 N8 S4 -","4","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.0913","0.0505","","","0.1025","0.1335","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230586","9.6323","0.0007","13.5037","0.0011","52.648","0.004","90","","93.701","0.002","90","","6833.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C328 H304 B8 Br8 N16 S8 -","8","2","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1186","0.0774","","","0.1302","0.1415","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230587","11.4729","0.0005","14.603","0.0003","14.7655","0.0005","90","","91.92","0.003","90","","2472.4","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-hydroxybenzoic acid 4-hydroxybenzoate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.6889","synchrotron","","0.0697","0.0436","","","0.0968","0.1093","","","","","","1.04","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230588","21.6378","0.0004","9.1765","0.0001","18.3236","0.0003","90","","112.447","0.002","90","","3362.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-cyanobenzoate 4-cyanobenzoic acid","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0487","0.0418","","","0.1117","0.1186","","","","","","1.019","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230589","9.8631","0.0004","21.3774","0.0009","12.5572","0.0005","90","","110.968","0.002","90","","2472.33","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-aminobenzoic acid 3-aminobenzoate","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C112 H128 N16 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0609","0.0445","","","0.1114","0.1215","","","","","","1.032","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230590","7.4488","0.0003","16.1665","0.0007","16.8622","0.0008","90","","99.229","0.002","90","","2004.28","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 5-nitro-3-benzoate benzoic acid","","- C22 H23 N3 O6 -","- C22 H23 N3 O6 -","- C88 H92 N12 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0636","0.0455","","","0.1134","0.1232","","","","","","1.024","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230591","10.332","0.0004","18.3951","0.0007","10.3744","0.0004","90","","103.652","0.002","90","","1916.03","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAN 2-nitrobenzoate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0713","0.0481","","","0.1147","0.1266","","","","","","1.026","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230592","13.3902","0.0006","17.4977","0.0007","19.3081","0.0009","85.639","0.004","70.634","0.004","69.986","0.004","4006.6","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","DMAN 4-amino benzoic acid 4-aminobenzoate hydrate","","- C84 H104 N12 O16 -","- C84 H104 N12 O16 -","- C168 H208 N24 O32 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.71073","MoKα","","0.1953","0.0793","","","0.159","0.2161","","","","","","0.984","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230593","11.2829","0.0004","12.5029","0.0005","23.4257","0.001","90","","90.718","0.002","90","","3304.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 2-cyanobenzoic acid 2-cyanobenzoate","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0942","0.0474","","","0.0952","0.112","","","","","","1.006","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230594","14.6269","0.0004","18.1672","0.0005","20.9527","0.0006","93.416","0.002","104.461","0.003","107.5","0.003","5086.9","0.3","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","DMAN 4-nitrobenzoic acid 4-nitrobenzoate","","- C35 H33 N5 O12 -","- C35 H33 N5 O12 -","- C210 H198 N30 O72 -","6","3","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0524","0.0396","","","0.0997","0.1083","","","","","","1.021","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230595","9.8917","0.0004","23.8954","0.0009","12.0958","0.0005","90","","112.04","0.002","90","","2650.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-methoxy benzoic acid 3-methoxybenzoate","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0803","0.045","","","0.09","0.1022","","","","","","1.025","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230603","4.5576","0.0001","16.2048","0.0004","14.0456","0.0003","90","","95.241","0.002","90","","1033","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Dy N O7 -","- C8 H8 Dy N O7 -","- C32 H32 Dy4 N4 O28 -","4","1","","Yu, Qi; Dong, Hong; Zhang, Xin; Zhu, Ya-Xin; Wang, Jian-Hui; Zhang, Feng-Ming; Sun, Xiao-Jun","Novel stable metal‒organic framework photocatalyst for light-driven hydrogen production","CrystEngComm","2018","20","23","3228","","10.1039/C8CE00386F","","","0.71073","MoKα","","0.0276","0.0214","","","0.0447","0.0467","","","","","","1.035","","","","has coordinates","229102","2020-10-21","18:00:00",""
"7230604","14.3715","0.0011","14.3715","0.0011","19.721","0.002","90","","90","","90","","4073.2","0.6","296","2","296","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C10 H6 N20 O2 Zn3 -","- C10 H6 N20 O2 Zn3 -","- C80 H48 N160 O16 Zn24 -","8","0.5","","Liu, Chuanfang; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","Synthesis of an ultra-stable metal‒organic framework for proton conduction","CrystEngComm","2018","20","23","3158","","10.1039/C8CE00564H","","","0.71073","MoKα","","0.0465","0.0307","","","0.0772","0.0862","","","","","","0.908","","","","has coordinates","229108","2020-10-21","18:00:00",""
"7230605","4.8211","0.0014","9.065","0.003","12.47","0.004","74.963","0.006","88.26","0.006","89.779","0.006","526.1","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","1","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1169","0.0863","","","0.1747","0.1891","","","","","","1.199","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230606","7.646","0.002","12.279","0.004","11.421","0.004","90","","90.411","0.006","90","","1072.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O8 -","- C22 H20 N6 O8 -","- C44 H40 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1136","0.0983","","","0.1818","0.1882","","","","","","1.342","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230607","6.573","0.003","7.531","0.004","17.511","0.008","87.416","0.009","88.657","0.009","75.143","0.009","836.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1547","0.0644","","","0.1229","0.1507","","","","","","0.917","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230608","12.528","0.009","6.992","0.005","13.266","0.008","90","","113.8","0.02","90","","1063.2","1.3","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1146","0.1197","","","","","","1.042","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230609","29.689","0.007","44.694","0.011","4.888","0.0012","90","","90","","90","","6486","3","298","2","298","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C272 H256 N64 O64 -","16","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0603","0.0557","","","0.1169","0.119","","","","","","1.2","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230610","6.988","0.004","17.855","0.01","11.428","0.006","90","","103.035","0.011","90","","1389.1","1.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O7 -","- C10 H16 N4 O7 -","- C40 H64 N16 O28 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1174","0.0537","","","0.1168","0.1409","","","","","","0.955","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230611","7.0875","0.0008","11.9657","0.0013","24.919","0.003","90","","90","","90","","2113.3","0.4","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0819","0.0809","","","0.1523","0.1528","","","","","","1.358","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230612","34.001","0.005","8.9797","0.0014","8.97","0.0014","90","","90","","90","","2738.7","0.7","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N6 O10 -","- C23 H26 N6 O10 -","- C92 H104 N24 O40 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1143","0.0902","","","0.2626","0.2823","","","","","","1.07","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230613","8.705","0.002","10.392","0.003","10.914","0.003","65.633","0.004","76.026","0.005","70.452","0.004","841.3","0.4","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C30 H28 N12 O16 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1454","0.0795","","","0.1479","0.1734","","","","","","1.075","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230614","12.194","0.002","5.1402","0.001","17.488","0.003","90","","99.377","0.003","90","","1081.5","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C40 H40 N16 O16 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1667","0.0806","","","0.153","0.1825","","","","","","1.01","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230615","10.3869","0.0003","15.4759","0.0003","11.2824","0.0003","90","","105.723","0.003","90","","1745.75","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O2 S -","- C18 H24 Cl N O2 S -","- C72 H96 Cl4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0498","0.037","","","0.0845","0.0912","","","","","","1.044","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230616","11.0548","0.0008","6.4659","0.0004","21.654","0.0014","90","","102.382","0.002","90","","1511.81","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O2 S -","- C16 H20 Br N O2 S -","- C64 H80 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0599","0.0368","","","0.0869","0.0968","","","","","","0.994","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230617","10.7288","0.0004","15.5406","0.0006","11.6218","0.0005","90","","106.454","0.001","90","","1858.37","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0576","0.0473","","","0.1349","0.1436","","","","","","1.124","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230618","10.5834","0.0003","15.2084","0.0005","11.6137","0.0003","90","","107.101","0.001","90","","1786.66","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0484","0.0394","","","0.1085","0.115","","","","","","1.018","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230619","29.081","0.002","6.8576","0.0006","19.1376","0.0016","90","","123.701","0.002","90","","3175.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C136 H160 F24 N8 O16 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0852","0.0687","","","0.1774","0.1875","","","","","","1.277","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230620","10.5014","0.0003","15.4718","0.0004","11.3326","0.0003","90","","106.42","0.003","90","","1766.17","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br N O2 S -","- C18 H24 Br N O2 S -","- C72 H96 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0619","0.0366","","","0.0781","0.0876","","","","","","0.998","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230621","11.0672","0.0008","6.4621","0.0005","21.5494","0.0016","90","","103.132","0.002","90","","1500.85","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.063","0.0437","","","0.0984","0.1071","","","","","","1","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230622","9.8939","0.0014","18.898","0.003","16.637","0.002","90","","96.438","0.004","90","","3091.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0616","0.0465","","","0.1243","0.1391","","","","","","1.03","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230623","18.4213","0.0008","18.1732","0.0008","19.0497","0.0008","90","","90","","90","","6377.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C200 H192 F96 Mn8 N24 O40 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1044","0.074","","","0.2124","0.2461","","","","","","1.036","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230624","9.8814","0.0007","14.4685","0.0011","23.2516","0.0017","90","","100.481","0.002","90","","3268.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C100 H96 F48 Mn4 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0792","0.0618","","","0.1801","0.196","","","","","","1.052","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230625","16.6043","0.0006","26.0628","0.0011","10.8332","0.0005","90","","90","","90","","4688.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H46 F12 Mn N6 O6 -","- C40 H46 F12 Mn N6 O6 -","- C160 H184 F48 Mn4 N24 O24 -","4","0.5","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1058","0.0876","","","0.2445","0.265","","","","","","1.061","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230626","16.3979","0.0007","25.7808","0.0011","10.7851","0.0004","90","","90","","90","","4559.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cu0.5 F6 N3 O3 -","- C20 H23 Cu0.5 F6 N3 O3 -","- C160 H184 Cu4 F48 N24 O24 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1091","0.0965","","","0.2659","0.2823","","","","","","1.034","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230627","9.5751","0.0004","32.409","0.0013","10.9213","0.0005","90","","106.865","0.0013","90","","3243.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0809","0.0527","","","0.1293","0.1416","","","","","","1.044","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230630","6.5213","0.0002","5.3508","0.0001","8.8186","0.0002","90","","106.896","0.001","90","","294.435","0.013","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 F4 O2 -","- C6 F4 O2 -","- C12 F8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0434","0.0283","","","0.0634","0.069","","","","","","1.273","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230631","8.5371","0.0007","5.6623","0.0004","8.6712","0.0007","90","","105.946","0.004","90","","403.03","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C12 Cl8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0382","0.034","","","0.0891","0.0919","","","","","","1.057","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230640","12.8955","0.0003","19.5738","0.0005","13.0841","0.0003","90","","101.983","0.0011","90","","3230.64","0.13","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N O2 -","- C44 H35 N O2 -","- C176 H140 N4 O8 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0443","0.04","","","0.0988","0.1023","","","","","","1.026","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230641","29.189","0.0006","29.189","0.0006","23.3065","0.0005","90","","90","","120","","17196.7","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47.4 H45 N O2.6 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0856","0.0536","","","0.1349","0.1569","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230642","29.3589","0.0006","29.3589","0.0006","23.3712","0.0005","90","","90","","120","","17445.8","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47 H44 N O2.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0495","0.041","","","0.1049","0.1116","","","","","","1.057","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230643","29.1831","0.0006","29.1831","0.0006","23.3144","0.0005","90","","90","","120","","17195.6","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C43 H34 N O1.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0566","0.0487","","","0.136","0.1465","","","","","","1.052","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230644","29.2539","0.0011","29.2539","0.0011","23.3293","0.0009","90","","90","","120","","17290.2","1.1","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H40.2 N O3.8 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0518","0.0397","","","0.106","0.1164","","","","","","1.037","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230645","17.319","0.0005","19.9637","0.0007","21.9686","0.0008","100.294","0.0018","91.2541","0.0016","115.382","0.0015","6710.4","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.62 H32.12 Cl1.88 N O2.25 -","- C41.625 H32.125 Cl1.875 N O2.25 -","- C333 H257 Cl15 N8 O18 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0944","0.0725","","","0.1867","0.2039","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230646","25.6756","0.0007","19.1467","0.0005","16.3667","0.0004","90","","107.328","0.002","90","","7680.8","0.4","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 N O5 -","- C49 H45 N O5 -","- C392 H360 N8 O40 -","8","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0728","0.0466","","","0.1067","0.1217","","","","","","1.031","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230647","16.9431","0.0004","20.0249","0.0004","23.9395","0.0005","101.674","0.002","105.876","0.002","118.124","0.005","6342.9","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H33 N O3 -","- C41 H29 N O3 -","- C328 H232 N8 O24 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.1706","0.0864","","","0.1968","0.242","","","","","","1.023","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230648","12.5928","0.0004","18.407","0.0006","15.0348","0.0005","90","","91.3592","0.0014","90","","3484","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Cl N O -","- C47 H34 Cl N O -","- C188 H136 Cl4 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0482","0.0424","","","0.1044","0.1094","","","","","","1.054","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230649","12.3371","0.0004","11.2929","0.0004","24.658","0.0007","90","","102.265","0.002","90","","3356.98","0.19","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N O4 -","- C44 H38 N O4 -","- C176 H152 N4 O16 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0662","0.0479","","","0.1116","0.1227","","","","","","1.037","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230650","29.2009","0.0005","29.2009","0.0005","23.3366","0.0004","90","","90","","120","","17233","0.5","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H43 N O2.4 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0569","0.0398","","","0.1036","0.1154","","","","","","1.036","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230651","12.3591","0.0003","18.2217","0.0005","15.0443","0.0004","90","","91.6057","0.0011","90","","3386.7","0.15","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 N O2 -","- C41 H29 N O -","- C164 H116 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0418","0.0387","","","0.1108","0.1139","","","","","","1.079","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230652","23.5606","0.00019","23.5606","0.00019","6.92267","0.00008","90","","90","","90","","3842.79","0.06","123","2","123","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C18 H16 I K N6 -","- C18 H16 I K N6 -","- C144 H128 I8 K8 N48 -","8","","","Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti","Controlling the crystal growth of potassium iodide with 1,1´-bis(pyridin-4-ylmethyl)-2,2´-biimidazole ligand (L) - formation of linear [K4I4L4]n polymer with cubic [K4I4] core units","CrystEngComm","2018","","","","","10.1039/C8CE00483H","","","1.54184","CuKα","","0.0288","0.0262","","","0.067","0.0695","","","","","","1.059","","","","has coordinates","207810","2020-10-21","18:00:00",""
"7230653","13.501","0.003","11.13","0.002","34.928","0.007","90","","90","","90","","5248.5","1.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H34 Cd3 N3 O23 P3 -","- C42 H34 Cd3 N3 O23 P3 -","- C168 H136 Cd12 N12 O92 P12 -","4","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","0.71073","MoKα","","0.0779","0.0723","","","0.1917","0.197","","","","","","1.042","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230654","12.9528","0.0007","13.5426","0.0007","16.4426","0.0008","108.031","0.004","91.067","0.004","113.829","0.005","2474.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd2 N27 O9 P3 -","- C42 H32 Cd2 N27 O9 P3 -","- C84 H64 Cd4 N54 O18 P6 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","1.54178","CuKα","","0.0654","0.0596","","","0.1683","0.176","","","","","","1.055","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230655","14.0264","0.0004","14.5761","0.0004","23.3971","0.0007","77.744","0.003","80.417","0.002","89.739","0.002","4606.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H64 Cd4 N6 O44 P6 -","- C84 H64 Cd4 N6 O44 P6 -","- C168 H128 Cd8 N12 O88 P12 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","x-ray","0.71073","MoKα","","0.0661","0.0447","","","0.1016","0.1176","","","","","","1.086","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230656","41.74","0.004","41.74","0.004","9.9584","0.0014","90","","90","","120","","15025","3","203","","203","2","","","","","","","","5","R -3","-R 3","148","","","","- C16 H13 N O4 Zn -","- C16 H13 N O4 Zn -","- C288 H234 N18 O72 Zn18 -","18","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0419","0.0411","","","0.1282","0.1292","","","","","","1.098","","","","has coordinates","207823","2020-10-21","18:00:00",""
"7230657","42.4897","0.0008","42.4897","0.0008","10.4","0.0004","90","","90","","120","","16260.4","0.8","203","2","203","","","","","","","","","5","R -3","-R 3","148","","","","- C48 H39 N3 O12 Zn3 -","- C48 H39 N3 O12 Zn3 -","- C432 H351 N27 O108 Zn27 -","9","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0708","0.0608","","","0.203","0.214","","","","","","1.09","","","","has coordinates,has disorder","207823","2020-10-21","18:00:00",""
"7230658","13.743","0.003","14.342","0.003","19.671","0.004","83.758","0.004","74.388","0.003","80.079","0.004","3670.4","1.3","195","2","195","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 Eu2 N5 O23 S6 -","- C50 H62 Eu2 N4 O16 S6 -","- C100 H124 Eu4 N8 O32 S12 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0709","0.044","","","0.1084","0.1197","","","","","","0.935","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230659","13.771","0.003","14.495","0.003","19.74","0.004","84.67","0.03","73.52","0.03","81.47","0.03","3731.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 N5 O23 S6 Tb2 -","- C50 H60 N4 O16 S6 Tb2 -","- C100 H120 N8 O32 S12 Tb4 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0461","0.0328","","","0.0872","0.0955","","","","","","1.026","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230660","5.6272","0.0017","8.095","0.003","9.638","0.003","90","","106.656","0.004","90","","420.6","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1044","0.0925","","","0.2301","0.246","","","","","","1.103","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230661","5.6186","0.0011","8.0802","0.0016","9.6186","0.0018","90","","106.636","0.002","90","","418.4","0.14","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1098","0.0986","","","0.2177","0.2316","","","","","","1.101","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230663","5.7993","0.0005","25.037","0.003","10.15","0.0011","90","","100.329","0.011","90","","1449.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane","","- C15 H20 F N O4 -","- C15 H20 F N O4 -","- C60 H80 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0471","0.0375","","","0.0971","0.1053","","","","","","1.019","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230664","12.617","0.001","6.6369","0.0005","19.145","0.0017","90","","90","","90","","1603.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0605","0.0419","","","0.1096","0.1275","","","","","","0.806","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230665","12.4037","0.001","14.553","0.0017","9.9903","0.0008","90","","103.023","0.008","90","","1757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1237","0.0766","","","0.1906","0.2253","","","","","","1.144","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230666","20.1905","0.0016","6.6712","0.0004","12.9057","0.0009","90","","106.432","0.008","90","","1667.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1267","0.0971","","","0.242","0.264","","","","","","1.036","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230667","12.8989","0.0017","5.8609","0.0005","13.5007","0.0019","90","","116.417","0.017","90","","914.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 F N O4 -","- C18 H26 F N O4 -","- C36 H52 F2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0923","0.0653","","","0.1773","0.2054","","","","","","1.163","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230668","12.146","0.002","6.0004","0.0007","14.022","0.003","90","","112.03","0.02","90","","947.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C36 H52 Cl2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1288","0.0675","","","0.1746","0.2241","","","","","","1.052","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230669","12.4485","0.0006","10.2927","0.0006","21.8055","0.001","90","","90","","90","","2793.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane","","- C14 H18 F N O4 -","- C14 H18 F N O4 -","- C112 H144 F8 N8 O32 -","8","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.2066","0.0939","","","0.2198","0.2702","","","","","","1.175","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230670","11.5582","0.0008","6.0006","0.0003","27.226","0.002","90","","101.111","0.007","90","","1852.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C72 H104 Cl4 N4 O16 -","4","2","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0914","0.0583","","","0.1374","0.1581","","","","","","1.047","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230671","5.6457","0.0005","26.456","0.004","10.456","0.001","90","","100.112","0.008","90","","1537.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F N O4 -","- C16 H22 F N O4 -","- C64 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0894","0.0483","","","0.1251","0.1563","","","","","","0.865","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230672","11.6303","0.0012","17.6259","0.0018","14.8517","0.0015","90","","91.363","0.002","90","","3043.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Eu N2 O13 P -","- C23 H18 Eu N2 O13 P -","- C92 H72 Eu4 N8 O52 P4 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","","0.71073","MoKα","","0.0467","0.032","","","0.0791","0.0921","","","","","","1.068","","","","has coordinates,has disorder","229103","2020-10-21","18:00:00",""
"7230673","12.735","0.003","6.5866","0.0009","18.883","0.003","90","","90","","90","","1583.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6'-phenylspiro[adamantane-2,2'-[1,3,4,8,6]tetraoxazocane]","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0645","0.049","","","0.1276","0.1483","","","","","","0.945","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230674","8.4809","0.0003","12.392","0.0006","12.8512","0.0006","92.174","0.004","99.176","0.004","103.153","0.004","1294.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cd Cl2 N3 O4 -","- C23 H23 Cd Cl2 N3 O4 -","- C46 H46 Cd2 Cl4 N6 O8 -","2","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0626","0.0549","","","0.1485","0.1607","","","","","","1.098","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230675","9.4764","0.0002","18.9403","0.0002","22.154","0.0003","90","","91.056","0.002","90","","3975.65","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H84 Cd Cl2 N8 O18 -","- C80 H64 Cd Cl2 N8 O18 -","- C160 H128 Cd2 Cl4 N16 O36 -","2","0.5","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0741","0.0664","","","0.1929","0.2026","","","","","","1.046","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230676","29.9946","0.0012","12.7727","0.0009","13.3844","0.0006","90","","98.122","0.004","90","","5076.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Cd Cl2 N2 O7 -","- C20 H16 Cd Cl2 N2 O7 -","- C160 H128 Cd8 Cl16 N16 O56 -","8","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","0.71073","MoKα","","0.0712","0.0485","","","0.1387","0.1609","","","","","","1.043","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230677","13.8355","0.0003","15.0442","0.0003","15.9034","0.0003","90","","90","","90","","3310.2","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C136 H136 I8 N32 O8 -","8","2","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.031","0.0251","","","0.056","0.0578","","","","","","1.054","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230678","19.036","0.009","6.927","0.003","25.712","0.012","90","","103.09","0.009","90","","3302","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.0851","0.0564","","","0.1736","0.1934","","","","","","1.07","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230679","13.296","0.003","7.722","0.0002","17.136","0.002","90","","106.02","0.03","90","","1691.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C68 H68 I4 N16 O4 -","4","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.048","0.0337","","","0.0882","0.0958","","","","","","1.028","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230680","10.049","0.002","13.677","0.003","25.211","0.005","97.626","0.003","94.832","0.003","110.108","0.003","3193.5","1.1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1195","0.099","","","0.2637","0.2817","","","","","","1.049","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230681","19.1038","0.0013","6.8983","0.0006","25.726","0.002","90","","102.622","0.005","90","","3308.3","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1413","0.0861","","","0.2606","0.2913","","","","","","1.123","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230682","10.119","0.004","13.63","0.006","25.37","0.009","97.424","0.01","95.257","0.01","109.834","0.01","3229","2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1191","0.0778","","","0.1969","0.2229","","","","","","1.03","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230683","18.928","0.005","6.9102","0.0017","25.591","0.007","90","","103.145","0.006","90","","3259.5","1.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.085","0.0552","","","0.1635","0.1793","","","","","","1.078","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230684","6.3497","0.0003","8.0041","0.0004","11.1477","0.0004","71.782","0.004","85.993","0.004","83.431","0.004","534.28","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","","0.7107","MoKα","","0.0438","0.0341","","","0.0747","0.0796","","","","","","1.055","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230685","6.636","0.0003","8.3292","0.0005","11.6684","0.0006","107.729","0.005","97.995","0.004","97.962","0.004","597.05","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cu N3 O5 S -","- C10 H9 Cu N3 O5 S -","- C20 H18 Cu2 N6 O10 S2 -","2","1","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0348","0.0332","","","0.0863","0.0889","","","","","","1.142","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230686","6.4091","0.0003","8.0567","0.0004","11.3265","0.0005","70.675","0.004","85.308","0.004","81.872","0.004","545.98","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.0825","0.0839","","","","","","1.031","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230687","16.83","0.003","18.059","0.004","15.756","0.003","90","","98.82","0.03","90","","4732.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Cd2 N6 O11 -","- C34 H18 Cd2 N6 O11 -","- C136 H72 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","0.71073","MoKα","","0.1771","0.091","","","0.1858","0.2218","","","","","","0.954","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230688","16.0536","0.0002","17.8754","0.0002","15.6953","0.0001","90","","102.731","0.001","90","","4393.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Cd2 N6 O11 -","- C41 H26 Cd2 N6 O11 -","- C164 H104 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0313","0.0297","","","0.0838","0.0851","","","","","","0.91","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230689","17.1153","0.0001","18.127","0.0001","15.6893","0.0001","90","","94.978","0.001","90","","4849.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N6 O11 -","- C42 H28 Cd2 N6 O11 -","- C168 H112 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0308","0.0287","","","0.0633","0.0642","","","","","","1.011","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230694","17.346","0.002","12.1461","0.0009","5.2406","0.0006","90","","105.236","0.007","90","","1065.31","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba K Lu Mo3 O12 -","- Ba0.92 K1.08 Lu Mo3 O12 -","- Ba3.68 K4.32 Lu4 Mo12 O48 -","4","0.5","","Wang, G. Q.; Li, L. Y.; Feng, Y. N.; Yu, H.; Zheng, X. H.","Tb3± and Yb3±doped novel KBaLu(MoO4)3 crystals with disordered chained structure showing down- and up-conversion luminescence","CrystEngComm","2018","20","26","3657","","10.1039/C8CE00461G","","","0.71073","MoKα","","0.0224","0.0214","","","0.0553","0.0558","","","","","","1.102","","","","has coordinates","228990","2020-10-21","18:00:00",""
"7230695","13.2807","0.0005","13.2807","0.0005","14.1753","0.0006","90","","90","","120","","2165.23","0.15","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C18 Br18 Cd3 Mo18 N18 O12 Se6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0571","0.0506","","","0.1175","0.1212","","","","","","1.062","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230696","19.549","0.0008","10.3084","0.0004","13.7398","0.0005","90","","90","","90","","2768.83","0.19","150","2","150","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.68 Mn Mo6 N6 O2 S2 -","- C6 Br6.0006 Cs0.6742 Mn Mo6 N6 O2 S1.9994 -","- C24 Br24.0024 Cs2.6968 Mn4 Mo24 N24 O8 S7.9976 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0637","0.0383","","","0.1044","0.1123","","","","","","1.052","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230697","19.5758","0.0007","10.4102","0.0004","13.7808","0.0005","90","","90","","90","","2808.36","0.18","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Mn Mo6 N6 O2 -","- C6 Br8 Mn Mo6 N6 O2 -","- C24 Br32 Mn4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0559","0.0551","","","0.1274","0.1276","","","","","","1.367","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230698","19.473","0.004","10.3173","0.0017","13.749","0.003","90","","90","","90","","2762.3","0.9","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Fe Mo6 N6 O2 -","- C6 Br8 Fe Mo6 N6 O2 -","- C24 Br32 Fe4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","x-ray","0.71073","MoKα","","0.1789","0.1526","","","0.4307","0.4529","","","","","","1.116","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230699","13.2013","0.0006","13.2013","0.0006","14.1296","0.0006","90","","90","","120","","2132.52","0.16","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C18 Br18 Cd3 Mo18 N18 O12 S6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0885","0.0581","","","0.1273","0.1352","","","","","","1.072","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230700","19.6163","0.001","10.2909","0.0007","13.8615","0.0008","90","","90","","90","","2798.2","0.3","296","2","296","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.82 Mn Mo6 N6 O2 Se2 -","- C6 Br6 Cs0.8156 Mn Mo6 N6 O2 Se2 -","- C24 Br24 Cs3.2624 Mn4 Mo24 N24 O8 Se8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0498","0.03","","","0.0648","0.0702","","","","","","1.015","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230701","12.3495","0.0011","21.893","0.002","19.7759","0.0018","90","","103.632","0.002","90","","5196.1","0.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 As Co2 Mo8 N8 O40 V4 -","- C20 H16 As Co2 Mo8 N8 O40 V4 -","- C80 H64 As4 Co8 Mo32 N32 O160 V16 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0496","0.0408","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230702","10.733","0.004","13.361","0.004","21.952","0.007","89.302","0.006","79.585","0.006","75.901","0.005","3001.2","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.1114","0.0759","","","0.1891","0.2107","","","","","","1.041","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230703","20.7262","0.0006","14.6357","0.0006","25.6626","0.0009","90","","113.289","0.002","90","","7150.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C120 H120 As4 Cu20 Mo48 N80 O168 V8 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0639","0.0484","","","0.1351","0.1451","","","","","","1.05","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230704","18.0444","0.0006","11.4284","0.0005","17.241","0.0006","90","","90","","90","","3555.4","0.2","173.15","","173.15","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C31 H36 Br2 Cl2 N8 O4 -","- C31 H36 Br2 Cl2 N8 O4 -","- C124 H144 Br8 Cl8 N32 O16 -","4","0.5","","Naseer, Muhammad Moazzam; Bauzá, Antonio; Alnasr, Hazem; Jurkschat, Klaus; Frontera, Antonio","Lone pair‒π vs. σ-hole‒π interactions in bromine head-containing oxacalix[2]arene[2]triazines","CrystEngComm","2018","20","23","3251","","10.1039/C8CE00666K","","x-ray","0.71073","MoKα","","0.064","0.0425","","","0.1172","0.1283","","","","","","1.081","","","","has coordinates","229107","2020-10-21","18:00:00",""
"7230723","8.3611","0.0002","10.3462","0.0002","10.3808","0.0003","106.747","0.003","113.735","0.003","103.091","0.003","724.61","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C30 H24 I4 N4 -","2","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0181","0.0171","","","0.04","0.0403","","","","","","1.059","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230724","11.6765","0.0002","22.8696","0.0004","8.3636","0.0001","90","","110.549","0.002","90","","2091.28","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.4 H12.8 Cl0.8 I2 N2 -","- C19.4 H12 Cl0.8 I2 N2 -","- C77.6 H48 Cl3.2 I8 N8 -","4","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","1.5418","CuKα","","0.0419","0.0386","","","0.112","0.1151","","","","","","0.976","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230725","17.8602","0.0006","17.9174","0.0006","11.0199","0.0004","90","","90","","90","","3526.5","0.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H14 Cl2 I2 N2 -","- C16 H14 Cl2 I2 N2 -","- C128 H112 Cl16 I16 N16 -","8","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.71073","MoKα","","0.0652","0.0646","","","0.1603","0.1611","","","","","","1.763","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230726","7.7955","0.0005","36.484","0.007","10.5534","0.0011","90","","105.088","0.007","90","","2898","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C120 H96 I16 N16 -","8","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0521","0.0387","","","0.072","0.0744","","","","","","1.151","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230727","11.314","0.006","15.217","0.009","17.158","0.01","106.412","0.007","98.879","0.006","105.061","0.006","2652","3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C90 H100 Cl6 N18 O38 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0915","0.0672","","","0.1679","0.182","","","","","","1.027","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230728","11.3806","0.001","11.4717","0.001","11.9184","0.001","105.855","0.001","108.975","0.001","101.196","0.001","1345.2","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O9 Zn1.5 -","- C24 H24 Cl N4 O9 Zn1.5 -","- C48 H48 Cl2 N8 O18 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0631","0.0595","","","0.1381","0.1408","","","","","","1.036","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230729","28.576","0.002","28.576","0.002","17.986","0.001","90","","90","","90","","14687.1","1.7","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H28 Cu F6 N4 O9 S2 -","- C26 H16 Cu F6 N4 O9 S2 -","- C416 H256 Cu16 F96 N64 O144 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.0765","0.0716","","","0.2183","0.2233","","","","","","1.118","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230730","28.28","0.007","28.28","","19.059","0.005","90","","90","","90","","15243","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1937","0.1712","","","0.5198","0.5337","","","","","","2.194","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230731","17.338","0.001","42.746","0.002","43.404","0.002","90","","90","","90","","32168","3","150","2","150","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C780 H664 Cd32 Cl24 F192 N128 O208 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.0968","0.0846","","","0.2594","0.2721","","","","","","1.077","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230732","16.993","0.009","42.006","0.002","42.426","0.002","90","","90","","90","","30284","16","120","2","120","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C22 H16.75 F6 Fe N4 O6.375 S2 -","- C22 H16 F6 Fe N4 O6.376 S2 -","- C704 H512 F192 Fe32 N128 O204.032 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1178","0.1085","","","0.3232","0.3311","","","","","","1.472","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230733","28.481","0.004","28.481","","18.723","0.003","90","","90","","90","","15187","3","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1482","0.1237","","","0.3788","0.3948","","","","","","1.54","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230734","7.852","0.003","15.069","0.006","23.107","0.01","90","","90","","90","","2734.1","1.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H20 F6 Fe N4 O8 S2 -","- C22 H20 F6 Fe N4 O8 S2 -","- C88 H80 F24 Fe4 N16 O32 S8 -","4","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1032","0.0804","","","0.2179","0.2479","","","","","","1.034","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230735","9.5545","0.0019","16.926","0.003","7.8873","0.0016","90","","90.72","0.03","90","","1275.4","0.4","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cd F2 N12 O2 -","- C18 H28 Cd F2 N12 O2 -","- C36 H56 Cd2 F4 N24 O4 -","2","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0364","0.0248","","","0.0617","0.0661","","","","","","0.947","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230736","8.972","0.0013","8.972","0.0013","21.077","0.004","90","","90","","120","","1469.3","0.4","293","2","293.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C18 H32 Co F N13 O7 -","- C18 H31.9999 Co F N13 O7 -","- C36 H63.9998 Co2 F2 N26 O14 -","2","0.166667","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0542","0.0398","","","0.1113","0.12","","","","","","1.053","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230737","8.9","0.0018","21.14","0.004","15.03","0.003","90","","90","","90","","2827.8","1","293","2","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H34 F2 N12 Ni O5 -","- C18 H34 F2 N12 Ni O5 -","- C72 H136 F8 N48 Ni4 O20 -","4","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0418","0.0274","","","0.0775","0.0869","","","","","","1.036","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230749","28.4964","0.0013","8.1448","0.0003","15.5302","0.0007","90","","90","","90","","3604.5","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Sulfathiazoium besilate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium benzenesulfonate","","- C15 H15 N3 O5 S3 -","- C15 H15 N3 O5 S3 -","- C120 H120 N24 O40 S24 -","8","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.1032","0.0537","","","0.0998","0.122","","","","","","1.102","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230750","8.0557","0.0002","9.9422","0.0003","17.209","0.0005","90","","90.57","0.001","90","","1378.22","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sulfathiazoium tetrafluoroborate","","- C9 H10 B F4 N3 O2 S2 -","- C9 H10 B F4 N3 O2 S2 -","- C36 H40 B4 F16 N12 O8 S8 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0422","0.0369","","","0.0963","0.1008","","","","","","1.096","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230751","14.9484","0.0004","8.2585","0.0002","22.9621","0.0006","90","","100.818","0.001","90","","2784.33","0.12","173","2","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazoium hydrogen dinitrate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium nitrate nitric acid","","- C18 H21 N9 O13 S4 -","- C18 H21 N9 O13 S4 -","- C72 H84 N36 O52 S16 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0638","0.039","","","0.0897","0.1022","","","","","","1.026","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230752","17.4737","0.0009","11.624","0.0005","11.7557","0.0005","90","","90.072","0.002","90","","2387.75","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sulfathiazolium Sulfate Hydrate","","- C18 H22 N6 O9 S5 -","- C18 H20 N6 O9 S5 -","- C72 H80 N24 O36 S20 -","4","0.5","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0922","0.0504","","","0.0961","0.1134","","","","","","1.055","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230753","13.1054","0.0004","13.3838","0.0003","17.8464","0.0004","109.958","0.001","92.029","0.002","111.591","0.001","2689","0.12","173","2","173.2","","","","","","","","","5","P -1","-P 1","2","N-(2-methyl-4-oxopentan-2-yl)sulfathiazoium tosylate","N-(2-methyl-4-oxopentan-2-yl)-4-(N-(thiazol-2(3H)-ylidene)sulfamoyl)benzenaminium 4-methylbenzenesulfonate","","- C22 H27 N3 O6 S3 -","- C22 H27 N3 O6 S3 -","- C88 H108 N12 O24 S12 -","4","2","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0978","0.0496","","","0.11","0.1382","","","","","","1.028","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230754","12.931","0.003","27.071","0.005","13.699","0.003","90","","118.15","0.03","90","","4228","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H48 N14 O34 Zn5 -","- C72 H48 N14 O34 Zn5 -","- C144 H96 N28 O68 Zn10 -","2","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.1529","0.0661","","","0.1346","0.1619","","","","","","0.872","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230755","10.748","0.002","12.175","0.002","19.15","0.004","90","","97.74","0.03","90","","2483.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C104 H64 N24 O24 Zn4 -","4","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0424","0.0308","","","0.0795","0.0847","","","","","","1.035","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230756","22.968","0.005","9.911","0.002","21.552","0.004","90","","107.46","0.03","90","","4680","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C208 H128 N48 O48 Zn8 -","8","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0657","0.0388","","","0.1005","0.1132","","","","","","1.004","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230757","11.4292","0.0009","8.7331","0.0016","8.876","0.0014","90","","96.18","0.01","90","","880.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dimethylammonium copper formate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41096","synchrotron","","0.0668","0.0442","","","0.103","0.134","","","","","","1.16","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230758","5.4601","0.0009","5.9181","0.0012","5.784","0.004","94.58","0.04","90","0.03","96.582","0.015","185.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1251","0.0823","","","0.2031","0.2183","","","","","","0.908","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230759","8.26613","0.00019","8.26613","0.00019","22.2627","0.0003","90","","90","","120","","1317.39","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0327","0.0285","","","0.0703","0.0759","","","","","","1.262","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230760","8.2046","0.0002","8.2046","0.0002","21.6892","0.0003","90","","90","","120","","1264.41","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0426","0.0369","","","0.0896","0.0973","","","","","","1.213","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230761","11.3613","0.0003","8.6208","0.0005","8.718","0.0005","90","","95.658","0.003","90","","849.71","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.047","0.033","","","0.0723","0.0914","","","","","","1.158","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230762","10.9738","0.0006","8.4692","0.0011","8.109","0.0009","90","","94.187","0.007","90","","751.63","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0623","0.0442","","","0.1076","0.1271","","","","","","1.12","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230763","11.39538","0.00018","8.6694","0.0004","8.7825","0.0004","90","","95.884","0.002","90","","863.06","0.06","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.048","0.0335","","","0.077","0.1008","","","","","","1.187","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230764","11.27196","0.00014","8.5295","0.0003","8.5611","0.0003","90","","95.1904","0.0017","90","","819.72","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0501","0.0359","","","0.0837","0.1012","","","","","","1.129","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230765","8.1738","0.0004","8.1738","0.0004","21.4104","0.0006","90","","90","","120","","1238.81","0.09","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0509","0.041","","","0.0982","0.1137","","","","","","1.24","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230766","5.3448","0.0017","5.871","0.002","5.67","0.006","96.33","0.08","88.41","0.06","96.33","0.03","175.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1021","0.0746","","","0.1838","0.2022","","","","","","1.055","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230767","8.1373","0.0006","8.1373","0.0006","21.1601","0.0007","90","","90","","120","","1213.41","0.13","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","0.166667","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0643","0.0532","","","0.1437","0.1643","","","","","","1.114","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230768","11.22268","0.00013","8.4953","0.0003","8.4836","0.0002","90","","94.9859","0.0018","90","","805.77","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0569","0.0401","","","0.092","0.1092","","","","","","1.149","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230769","11.08603","0.00018","8.4489","0.0004","8.2715","0.0003","90","","94.553","0.003","90","","772.3","0.05","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0734","0.0514","","","0.1259","0.1499","","","","","","1.082","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230770","8.25785","0.00019","8.25785","0.00019","22.5102","0.0006","90","","90","","120","","1329.36","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.4109","synchrotron","","0.0498","0.0394","","","0.1092","0.1239","","","","","","1.209","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230771","8.31888","0.00017","8.31888","0.00017","22.8731","0.0003","90","","90","","120","","1370.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0329","0.0277","","","0.0687","0.0758","","","","","","1.192","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230772","5.3066","0.0017","5.849","0.002","5.599","0.007","96.76","0.08","88.11","0.06","95.53","0.03","171.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1088","0.0872","","","0.2416","0.2522","","","","","","1.039","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230773","8.0626","0.0004","8.0626","0.0004","21.3349","0.0011","90","","90","","120","","1201.08","0.1","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0543","0.0433","","","0.0995","0.1118","","","","","","1.143","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230774","8.1069","0.0002","8.1069","0.0002","21.6257","0.0008","90","","90","","120","","1230.87","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0407","0.0351","","","0.0793","0.0863","","","","","","1.211","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230775","7.9888","0.001","7.9888","0.001","20.926","0.002","90","","90","","120","","1156.6","0.2","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0737","0.0549","","","0.1345","0.1556","","","","","","1.106","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230776","10.763","0.011","8.256","0.007","7.985","0.006","90.26","0.06","91.72","0.09","99.47","0.1","699.5","1.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","1","1","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.1347","0.079","","","0.1867","0.2059","","","","","","1.038","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230777","8.0225","0.0006","8.0225","0.0006","21.1076","0.0016","90","","90","","120","","1176.49","0.15","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0648","0.0522","","","0.1165","0.1288","","","","","","1.123","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230778","7.9495","0.0007","7.9495","0.0007","20.5428","0.0013","90","","90","","120","","1124.27","0.16","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0601","0.0475","","","0.115","0.1301","","","","","","1.122","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230779","8.30764","0.00016","8.30764","0.00016","22.6507","0.0003","90","","90","","120","","1353.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0331","0.0281","","","0.0718","0.0794","","","","","","1.137","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230780","8.17987","0.00018","8.17987","0.00018","22.0315","0.0006","90","","90","","120","","1276.64","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0405","0.0351","","","0.0818","0.0894","","","","","","1.183","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230781","7.9763","0.0006","7.9763","0.0006","20.6525","0.0012","90","","90","","120","","1137.91","0.14","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.051","0.0421","","","0.0998","0.1098","","","","","","1.093","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230782","11.3229","0.0005","8.5761","0.0008","8.6487","0.0008","90","","95.432","0.005","90","","836.07","0.12","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0498","0.0337","","","0.0786","0.0989","","","","","","1.146","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230783","11.16852","0.00013","8.4704","0.0003","8.3956","0.0002","90","","94.7845","0.0018","90","","791.47","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.063","0.0457","","","0.1054","0.122","","","","","","1.111","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230784","7.9947","0.0002","7.9947","0.0002","20.7241","0.0005","90","","90","","120","","1147.12","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0419","0.0377","","","0.103","0.1074","","","","","","1.198","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230785","5.4239","0.0008","5.9107","0.0012","5.755","0.005","95.38","0.04","89.33","0.04","96.927","0.015","182.35","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1061","0.0732","","","0.1877","0.2012","","","","","","0.996","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230786","5.3901","0.0009","5.8969","0.0014","5.72","0.004","95.95","0.05","88.82","0.04","96.958","0.016","179.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0983","0.0743","","","0.1968","0.2072","","","","","","1.058","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230787","9.4626","0.001","12.2484","0.0014","12.7852","0.0013","84.367","0.009","71.2","0.009","74.329","0.01","1350.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1455","0.0772","","","0.1809","0.2272","","","","","","1.13","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230788","15.4695","0.0014","25.496","0.002","12.3469","0.0017","90","","94.928","0.01","90","","4851.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 N8 O7 P -","- C43 H71 N8 O7 P -","- C172 H284 N32 O28 P4 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.201","0.0862","","","0.1711","0.233","","","","","","0.995","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230789","12.4753","0.0015","12.4982","0.0009","16.6285","0.0016","102.863","0.007","96.291","0.009","97.109","0.008","2482.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 N8 O2 S3 -","- C45 H72 N8 O2 S3 -","- C90 H144 N16 O4 S6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1529","0.0815","","","0.1752","0.2219","","","","","","0.966","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230790","10.343","0.0009","22.987","0.004","20.053","0.002","90","","100.231","0.01","90","","4691.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 Cl N8 S3 -","- C43 H69 Cl N8 S3 -","- C172 H276 Cl4 N32 S12 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.3175","0.0986","","","0.1306","0.2023","","","","","","0.998","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230791","30.643","0.004","13.4778","0.0016","23.218","0.003","90","","90","","90","","9589","2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87 H138 N16 O3 S6 -","- C87 H138 N16 O3 S6 -","- C348 H552 N64 O12 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.2414","0.0704","","","0.1383","0.1985","","","","","","0.933","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230792","25.9879","0.0008","9.8507","0.0003","26.893","0.0011","90","","90","","90","","6884.6","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C54 H65 N14 S6 -","- C54 H65 N14 S6 -","- C216 H260 N56 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.0951","0.0715","","","0.191","0.2072","","","","","","1.1","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230793","30.977","0.006","13.483","0.003","23.39","0.005","90","","90","","90","","9769","4","298","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H138 N16 O4 S7 -","- C86 H138 N16 O4 S7 -","- C344 H552 N64 O16 S28 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1776","0.0662","","","0.153","0.2066","","","","","","0.902","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230794","13.85","0.001","13.85","0.001","43.014","0.004","90","","90","","120","","7145.6","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H66 F N8 O6 -","- C42.9983 H66 F N8 O6 -","- C257.99 H396 F6 N48 O36 -","6","0.333333","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1189","0.0821","","","0.2513","0.2837","","","","","","1.18","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230795","4.8172","0.0001","9.6864","0.0003","11.2302","0.0003","90","","96.724","0.003","90","","520.41","0.02","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","sulfanilamid sulfamic acid salt","4-aminobenzenosulfonamid sulfamic acid salt","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C12 H22 N6 O10 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0474","0.0364","","","0.0766","0.0852","","","","","","1.058","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230796","17.2685","0.0004","6.2883","0.0002","7.9171","0.0002","90","","97.627","0.003","90","","852.11","0.04","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","sulfanilamide (4-sulfamoyl-phenyl)oxalamic acid salt","4-aminobenzenesulfonamide (4-sulfamoyl-phenyl)oxalamic acid salt","","- C14 H16 N4 O7 S2 -","- C14 H16 N4 O7 S2 -","- C28 H32 N8 O14 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0601","0.0385","","","0.0886","0.0926","","","","","","0.965","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230806","14.5906","0.0001","14.5906","0.0001","32.7775","0.0005","90","","90","","120","","6043","0.11","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0422333 Pb -","- C36 H180 I72 N36 O0.7602 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0399","0.0315","","","0.0364","0.0378","","","","1.66","1.66","1.49","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230807","14.5645","0.0001","14.5645","0.0001","32.7195","0.0004","90","","90","","120","","6010.75","0.09","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0423333 Pb -","- C36 H180 I72 N36 O0.762 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0448","0.0389","","","0.0467","0.048","","","","2","2","1.85","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230808","5.7015","0.0005","8.4154","0.0008","10.3538","0.0008","90","","90.374","0.003","90","","496.77","0.07","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","succinic acid","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C16 H24 O16 -","4","0.5","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","0.71073","MoKα","","0.0734","0.0472","","","0.0818","0.0887","","","","","","1.095","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230809","11.3126","0.0005","5.5869","0.0003","9.6891","0.0004","90","","92.866","0.002","90","","611.61","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","mono-methyl hydrogen succinate","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","1.54178","CuKα","","0.0598","0.0524","","","0.1194","0.1219","","","","","","1.257","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230811","11.9094","0.0003","15.1853","0.0003","18.4828","0.0005","88.647","0.002","78.856","0.002","74.191","0.002","3154.01","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76.005 N4 Ni4 O12 -","- C136 H152.01 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0602","0.0422","","","0.0974","0.1073","","","","","","1.043","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230812","14.847","0.0006","15.4487","0.0004","16.1018","0.0006","93.526","0.003","107.126","0.004","93.972","0.003","3508","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 N4 Ni4 O12 -","- C75 H87 N4 Ni4 O12 -","- C150 H174 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0944","0.0581","","","0.1425","0.1658","","","","","","1.063","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230813","12.2971","0.0005","15.3346","0.0005","18.3875","0.0006","87.653","0.003","76.413","0.003","73.288","0.003","3226.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 N4 Ni4 O12 -","- C71 H82 N4 Ni4 O12 -","- C142 H164 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1201","0.0651","","","0.1431","0.1666","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230814","12.2447","0.0017","15.152","0.002","18.04","0.003","86.793","0.011","81.407","0.012","74.996","0.012","3196.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H78 N4 Ni4 O12 -","- C69 H78 N4 Ni4 O12 -","- C138 H156 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1227","0.0734","","","0.1586","0.1852","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230815","14.9036","0.0004","15.4605","0.0003","16.1648","0.0004","93.592","0.002","106.783","0.002","94.242","0.002","3542.43","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H97 N4 Ni4 O12 -","- C76 H83 N4 Ni4 O12 -","- C152 H166 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0797","0.0532","","","0.136","0.1551","","","","","","1.046","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230816","21.5244","0.0003","20.8865","0.0003","14.2593","0.0002","90","","98.504","0.002","90","","6340.06","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76 N4 Ni4 O12 -","- C272 H304 N16 Ni16 O48 -","4","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0707","0.0448","","","0.0932","0.1037","","","","","","1.051","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230817","12.5096","0.0004","15.2713","0.0006","18.3851","0.0009","88.708","0.004","76.212","0.004","74.125","0.003","3277.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 Ni4 O12 -","- C72 H84 N4 Ni4 O12 -","- C144 H168 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.06","0.0417","","","0.0986","0.1095","","","","","","1.043","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230823","28.625","0.005","16.4514","0.0014","16.8783","0.001","90","","90","","90","","7948.4","1.6","295","","295","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 Co F16 I4 N4 -","- C28 H16 Cl2 Co F16 I4 N4 -","- C224 H128 Cl16 Co8 F128 I32 N32 -","8","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0671","0.0328","","","0.0623","0.0665","","","","","","0.8","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230824","16.5798","0.0017","15.3912","0.0009","16.652","0.002","90","","119.758","0.016","90","","3688.9","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0551","0.0302","","","0.0591","0.0619","","","","","","0.836","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230825","13.4604","0.0009","23.4681","0.0015","9.7735","0.0009","90","","102.252","0.007","90","","3017","0.4","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C120 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1068","0.0474","","","0.0623","0.0795","","","","","","0.996","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230826","14.5049","0.0005","8.5031","0.0004","30.2853","0.0013","90","","90","","90","","3735.3","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0494","0.0288","","","0.0551","0.0577","","","","","","0.858","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230827","7.9892","0.0004","13.5176","0.0007","33.897","0.002","90","","92.075","0.005","90","","3658.3","0.3","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 Cl2 Co F10 I2 N4 -","- C36 H16 Cl2 Co F10 I2 N4 -","- C144 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0563","0.0338","","","0.0534","0.0598","","","","","","1.053","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230828","13.7036","0.0012","15.5273","0.001","15.8979","0.0011","90","","111.746","0.009","90","","3142","0.5","295","","295","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 Cl2 Co F8 I2 N4 -","- C28 H16 Cl2 Co F8 I2 N4 -","- C112 H64 Cl8 Co4 F32 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0713","0.0599","","","0.1486","0.1582","","","","","","1.074","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230829","8.2507","0.0006","12.9627","0.0013","32.399","0.002","90","","92.121","0.006","90","","3462.7","0.5","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F10 I2 N4 -","- C32 H16 Cl2 Co F10 I2 N4 -","- C128 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0566","0.045","","","0.0702","0.0736","","","","","","1.172","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230830","7.8226","0.0006","25.788","0.002","14.3532","0.0009","90","","99.146","0.007","90","","2858.6","0.4","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.107","0.0474","","","0.0812","0.106","","","","","","0.911","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230831","12.687","0.0008","14.1661","0.001","16.011","0.0012","90","","104.732","0.007","90","","2783","0.3","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0982","0.0476","","","0.0759","0.0938","","","","","","0.995","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230832","8.5903","0.0005","12.701","0.0007","16.295","0.0011","69.852","0.006","88.6","0.005","84.665","0.005","1661.79","0.19","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Cl2 Co F3 I3 N4 O -","- C28 H22 Cl2 Co F3 I3 N4 O -","- C56 H44 Cl4 Co2 F6 I6 N8 O2 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1091","0.035","","","0.0417","0.0478","","","","","","0.646","","","","has coordinates,has disorder","228977","2020-10-21","18:00:00",""
"7230833","9.576","0.0004","13.1124","0.0006","21.2891","0.001","100.877","0.004","99.44","0.004","96.238","0.004","2562.5","0.2","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H16 Cl2 Co F9 I9 N4 -","- C42 H16 Cl2 Co F9 I9 N4 -","- C84 H32 Cl4 Co2 F18 I18 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0858","0.0485","","","0.0973","0.1161","","","","","","1.028","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230834","8.1204","0.0007","13.9649","0.0008","14.147","0.0007","99.902","0.004","100.089","0.005","105.734","0.006","1478.96","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C60 H32 Cl4 Co2 F8 I4 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0735","0.0382","","","0.0696","0.0744","","","","","","0.806","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230835","20.6757","0.0004","10.9903","0.0002","11.8544","0.0002","90","","90","","90","","2693.7","0.08","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 N4 O P2 S Se2 -","- C18 H44 N4 O P2 S Se2 -","- C72 H176 N16 O4 P8 S4 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0224","0.0187","","","0.0442","0.0456","","","","","","1.024","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230836","50.3437","0.0018","17.142","0.0005","10.2119","0.0003","90","","90","","90","","8812.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H138 N18 O3 P6 Se6 -","- C57 H138 N18 O3 P6 Se6 -","- C228 H552 N72 O12 P24 Se24 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0403","0.0293","","","0.0556","0.0586","","","","","","1.013","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230837","10.6563","0.0006","11.7263","0.0006","21.0354","0.001","90","","91.8","0.002","90","","2627.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H41 N5 P2 Se2 -","- C18 H41 N5 P2 Se2 -","- C72 H164 N20 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.1048","0.0521","","","0.1108","0.1343","","","","","","1.06","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230838","21.8437","0.0006","10.7274","0.0003","11.5787","0.0004","90","","90","","90","","2713.19","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N5 O P2 Se2 -","- C19 H44 N5 O P2 Se2 -","- C76 H176 N20 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0278","0.0223","","","0.0509","0.0527","","","","","","1.073","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230839","9.151","0.0002","16.1119","0.0003","11.5547","0.0002","90","","112.908","0.0007","90","","1569.26","0.05","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Br2 F4 N4 P2 Se2 -","- C22 H37.5 Br2 F4 N4 P2 Se2 -","- C44 H75 Br4 F8 N8 P4 Se4 -","2","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0321","0.0235","","","0.0499","0.0521","","","","","","1.027","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230840","17.5948","0.0003","17.2259","0.0003","18.9346","0.0004","90","","91.9478","0.0008","90","","5735.5","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H46 N6 O P2 Se2 -","- C19 H46 N6 O P2 Se2 -","- C152 H368 N48 O8 P16 Se16 -","8","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0685","0.0347","","","0.0625","0.0722","","","","","","1.004","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230841","11.2306","0.0005","15.1878","0.0006","15.8046","0.0006","90","","107.635","0.0014","90","","2569.07","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 N4 O P2 Se2 -","- C17 H42 N4 O P2 Se2 -","- C68 H168 N16 O4 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0826","0.0406","","","0.078","0.0898","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230842","16.1729","0.0003","23.0961","0.0003","33.2406","0.0005","90","","90","","90","","12416.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N7 P2 Se2 -","- C21 H51 N7 P2 Se2 -","- C336 H816 N112 P32 Se32 -","16","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0904","0.0412","","","0.0694","0.0842","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230843","20.57","0.003","11.104","0.002","12.117","0.002","90","","90","","90","","2767.6","0.8","240","2","240","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N4 O P2 Se2 -","- C19 H43 N4 O P2 Se2 -","- C76 H172 N16 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0785","0.0384","","","0.0849","0.1037","","","","","","0.984","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230844","7.6381","0.0005","8.0021","0.0005","8.1572","0.0005","109.201","0.004","105.966","0.004","109.054","0.004","402.13","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C16 H6 I2 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0382","0.0368","","","0.0918","0.0928","","","","","","1.059","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230845","6.9085","0.0006","7.7205","0.0005","9.6719","0.0007","93.192","0.003","110.609","0.004","94.05","0.003","479.86","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C16 H4 I4 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0617","0.0586","","","0.1776","0.1784","","","","","","1.159","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230846","7.9954","0.0006","15.2187","0.0011","7.5106","0.0005","90","","116.649","0.004","90","","816.81","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C32 H12 I4 N8 -","4","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0486","0.0403","","","0.1021","0.1067","","","","","","1.054","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230847","21.305","0.007","4.1552","0.0014","21.526","0.007","90","","95.091","0.009","90","","1898.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C64 H16 I16 N16 -","8","2","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0999","0.0682","","","0.1604","0.1788","","","","","","0.982","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230851","9.4289","0.0007","38.395","0.003","9.9447","0.0007","90","","107.876","0.001","90","","3426.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetracarbonyl-bis(triphenylphosphine)-molybdenum","","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","- C160 H120 Mo4 O16 P8 -","4","1","","Tshabang, Never; Makgatle, Gaone P.; Bourne, Susan A.; Kann, Nina; Evans, Jack D.; Coudert, François-Xavier; Öhrström, Lars","Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metals","CrystEngComm","2018","20","35","5137","","10.1039/C8CE00337H","","","0.71073","MoKα","","0.0627","0.0392","","","0.0771","0.0857","","","","","","1.016","","","","has coordinates","229128","2020-10-21","18:00:00",""
"7230852","10.9175","0.0002","11.1262","0.0002","11.6716","0.0002","92.504","0.001","96.84","0.001","91.789","0.001","1405.37","0.04","563","2","563","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C64 H52 Br4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0699","0.0362","","","0.0844","0.096","","","","","","0.958","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230853","10.902","0.0005","11.0152","0.0005","11.5729","0.0005","80.9869","0.0012","89.8172","0.0012","88.0995","0.0014","1371.85","0.11","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C64 H52 Cl4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0636","0.0402","","","0.0906","0.1034","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230854","18.9319","0.0013","9.4899","0.0006","14.4526","0.001","90","","90","","90","","2596.6","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C128 H104 Cl8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0801","0.0532","","","0.0962","0.107","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230855","17.251","0.002","9.2852","0.0011","17.34","0.002","90","","97.35","0.003","90","","2754.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C128 H104 Br8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.1206","0.0693","","","0.1532","0.1735","","","","","","1.06","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230856","10.536","0.002","10.734","0.0014","10.9542","0.0019","88.266","0.012","64.71","0.02","82.158","0.014","1109.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","1","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","1.54178","CuKα","","0.0707","0.0601","","","0.1802","0.2016","","","","","","1.057","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230857","17.0537","0.0005","13.2958","0.0004","15.2889","0.0004","90","","103.065","0.003","90","","3376.91","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.8 H21 Co N8 O12.8 -","- C33.8 H21 Co N8 O12.8 -","- C135.2 H84 Co4 N32 O51.2 -","4","1","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.0766","0.0426","","","0.0885","0.0929","","","","","","1.084","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230858","16.409","0.0008","27.965","0.002","12.6898","0.0008","90","","106.692","0.006","90","","5577.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C198 H138 Cl30 Co4 N40 O36 S8 -","2","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.1693","0.1352","","","0.2592","0.2735","","","","","","1.078","","","","has coordinates,has disorder","228915","2020-10-21","18:00:00",""
"7230863","10.2664","0.0008","17.7456","0.0011","22.3759","0.0014","85.142","0.004","86.718","0.004","88.258","0.004","4053.9","0.5","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","{[Cd(NH3)5]2[Cd(NH3)4]3[Re3Mo3Se8(CN)6]2}Â.5H2O","","- C12 H66 Cd5 Mo6 N34 O5 Re6 Se16 -","- C12 H66 Cd5 Mo6.006 N34 O5 Re5.994 Se16 -","- C24 H132 Cd10 Mo12.012 N68 O10 Re11.988 Se32 -","2","1","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.142","0.062","","","0.1149","0.1453","","","","","","0.964","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230864","15.3596","0.0014","15.3596","","15.3897","0.0013","90","","90","","120","","3144.3","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 I3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0302","0.0277","","","0.0724","0.0745","","","","","","1.077","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230865","15.0363","0.0008","15.0363","0.0008","15.3935","0.0009","90","","90","","120","","3014","0.3","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Cl","","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 Cl3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0363","0.0271","","","0.0672","0.0713","","","","","","1.088","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230866","15.2258","0.001","15.2258","0.001","15.3834","0.0011","90","","90","","120","","3088.5","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Br","","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C18 H108 Br3 Cd9 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0176","0.0148","","","0.034","0.0349","","","","","","1.109","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230867","8.6476","0.0003","15.247","0.0004","20.5679","0.0007","90","","90","","90","","2711.88","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Br2 Cu N8 S -","- C21 H20 Br2 Cu N8 S -","- C84 H80 Br8 Cu4 N32 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0465","0.0442","","","0.1269","0.1294","","","","","","1.082","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230868","8.77","0.0003","14.9616","0.0004","20.7948","0.0006","90","","90","","90","","2728.55","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 Br2 Cu N7 O1.5 S -","- C21 H24 Br2 Cu N7 O1.5 S -","- C84 H96 Br8 Cu4 N28 O6 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0564","0.0552","","","0.1563","0.1579","","","","","","1.096","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230869","8.8761","0.0003","15.2703","0.0005","21.1399","0.0011","90","","90","","90","","2865.3","0.2","293","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 Cu N6 O2 S -","- C22 H26 Br2 Cu N6 O2 S -","- C88 H104 Br8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0514","0.046","","","0.1388","0.1473","","","","","","1.09","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230870","8.4816","0.0006","15.3597","0.0017","19.7243","0.0015","90","","90","","90","","2569.6","0.4","112","19","112","19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18.5 H16.25 Br2 Cu N6.75 S -","- C18.5 H16.25 Br2 Cu N6.75 S -","- C74 H65 Br8 Cu4 N27 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0954","0.0843","","","0.2284","0.242","","","","","","1.066","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230871","8.752","0.0002","15.3925","0.0003","20.4584","0.0004","90","","90","","90","","2756.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C80 H96 Br8 Cl8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.1083","0.1107","","","","","","1.08","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230872","7.7414","0.0005","7.7414","0.0005","7.0841","0.0007","90","","90","","120","","367.67","0.05","295","2","295","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","MA2AgInBr6","","","- C2 H12 Ag Br6 In N2 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutrons","","0.0628","0.0545","","","0.1144","0.1202","","","","","","1.041","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230873","7.6324","0.0004","7.6324","","7.0554","0.0006","90","","90","","120","","355.94","0.04","95","2","95","2","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutron","","0.0352","0.0348","","","0.066","0.0662","","","","","","1.105","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230874","7.6399","0.0011","7.6399","0.0011","7.0651","0.0014","90","","90","","120","","357.13","0.1","95","1","95","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","x-ray","0.71073","MoKα","","0.0204","0.0204","","","0.0486","0.0486","","","","","","1.14","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230875","7.702","0.001","7.702","0.001","7.072","0.001","90","","90","","120","","363.31","0.08","213","2","213","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Br6 In N2 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.71075","MoKα","","0.0246","0.0237","","","0.0569","0.0576","","","","","","1.136","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230876","9.1895","0.0006","10.5129","0.0006","11.6426","0.0008","104.52","0.005","101.61","0.006","108.748","0.006","981.14","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.0653","0.0455","","","0.1016","0.1172","","","","","","1.047","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230877","15.6022","0.0006","16.5942","0.0006","16.3829","0.0006","90","","90","","90","","4241.6","0.3","283","2","283","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C148 H140 Ag8 Cl12 N16 O16 P8 S4 -","4","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1364","0.0689","","","0.2027","0.2548","","","","","","1.026","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230878","9.3658","0.0019","10.897","0.002","12.166","0.002","104.48","0.03","106.68","0.03","105.64","0.03","1070.8","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1168","0.1132","","","0.3334","0.3401","","","","","","1.029","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230879","9.2258","0.0009","16.0663","0.0016","15.1632","0.0017","90","","90.09","","90","","2247.6","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Ag N2 O3 P -","- C25 H22 Ag N2 O3 P -","- C100 H88 Ag4 N8 O12 P4 -","4","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1324","0.0741","","","0.1695","0.2095","","","","","","1.032","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230880","15.3788","0.0005","17.2961","0.0006","16.4091","0.0006","90","","90","","90","","4364.7","0.3","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H17 Ag N3 O4 P -","- C20 H17 Ag N3 O4 P -","- C160 H136 Ag8 N24 O32 P8 -","8","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1056","0.071","","","0.1961","0.2228","","","","","","1.036","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230881","9.5636","0.0006","9.8309","0.0005","13.581","0.0007","97.163","0.004","92.151","0.005","117.293","0.006","1119.35","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Ag N2 O2 P -","- C25 H22 Ag N2 O2 P -","- C50 H44 Ag2 N4 O4 P2 -","2","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.086","0.0505","","","0.0743","0.0892","","","","","","1.072","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230885","8.5756","0.0001","15.1244","0.0002","18.2776","0.0005","112.516","0.001","99.834","0.004","98.038","0.003","2102.17","0.09","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.23 H82.45 Cl2.45 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","1","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.7107","MoKα","","0.0427","0.0403","","","0.1016","0.1091","","","","","","1.086","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230886","9.8918","0.001","14.2582","0.0013","39.597","0.003","90","","93.948","0.002","90","","5571.5","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87.87 H87.74 Au4 Cl11.73 O10 P4 Sn4 -","- C87.876 H87.752 Au4 Cl11.752 O10 P4 Sn4 -","- C175.752 H175.504 Au8 Cl23.504 O20 P8 Sn8 -","2","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.71075","MoKα","","0.0941","0.0686","","","0.1628","0.1782","","","","","","1.073","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230893","10.596","0.001","12.337","0.0012","13.722","0.002","90","","102.789","0.013","90","","1749.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*,2S*)-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.105","0.0551","","","0.1083","0.1307","","","","","","0.985","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230894","9.2194","0.0006","10.2234","0.0005","17.0821","0.0009","90","","99.026","0.005","90","","1590.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0776","0.0374","","","0.0663","0.072","","","","","","0.802","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230895","20.6565","0.0013","4.9157","0.0003","16.516","0.001","90","","90","","90","","1677.05","0.18","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0677","0.0386","","","0.0584","0.0627","","","","","","0.806","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230896","10.7168","0.0006","11.1292","0.0005","15.2937","0.0008","90","","106.246","0.006","90","","1751.23","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0847","0.05","","","0.0947","0.1024","","","","","","0.925","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230897","10.5625","0.0009","11.9958","0.001","14.2676","0.001","90","","104.793","0.008","90","","1747.9","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}benzoic acid","","- C19 H15 N5 O3 -","- C19 H15 N5 O3 -","- C76 H60 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1104","0.0713","","","0.1724","0.2033","","","","","","1.036","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230898","10.645","0.001","9.879","0.001","15.864","0.002","90","","92.52","0.01","90","","1666.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0769","0.0519","","","0.1058","0.1213","","","","","","1.041","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230899","9.7517","0.0007","21.1933","0.0015","14.2957","0.001","90","","103.149","0.007","90","","2877","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-oxo-4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinyl}butanoic acid","","- C15 H15 N5 O3 -","- C15 H15 N5 O3 -","- C120 H120 N40 O24 -","8","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1341","0.0645","","","0.1056","0.1283","","","","","","0.996","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230900","20.275","0.002","10.7573","0.0011","17.3839","0.0017","90","","95.541","0.002","90","","3773.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1085","0.0979","","","0.3693","0.3919","","","","","","1.842","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230901","20.0103","0.0008","10.5732","0.0005","17.375","0.0008","90","","96.172","0.001","90","","3654.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1061","0.063","","","0.1434","0.172","","","","","","1.075","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230913","30.059","0.002","30.059","0.002","5.9369","0.0006","90","","90","","90","","5364.2","0.7","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.29 H2.12 Co0.24 N0.24 O1.18 -","- C3.29412 H2.11765 Co0.235294 N0.235294 O1.17647 -","- C224 H144 Co16 N16 O80 -","68","8.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.055","0.0389","","","0.0811","0.086","","","","","","1.009","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230914","30.168","0.003","30.168","0.003","6.0186","0.0008","90","","90","","90","","5477.6","1.1","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.2 H2.06 Mn0.23 N0.23 O1.14 -","- C3.2 H2.05714 Mn0.228571 N0.228571 O1.14286 -","- C224 H144 Mn16 N16 O80 -","70","8.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0864","0.0623","","","0.161","0.174","","","","","","0.995","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230915","10.2945","0.0004","10.6512","0.0004","14.9173","0.0006","81.017","0.001","74.262","0.001","86.402","0.001","1554.68","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.4 H2.5 Co0.2 N0.3 O -","- C3.4 H2.5 Co0.2 N0.3 O -","- C68 H50 Co4 N6 O20 -","20","10","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0683","0.0419","","","0.0919","0.1059","","","","","","1.037","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230916","19.532","0.004","8.8486","0.0017","14.171","0.003","90","","98.193","0.006","90","","2424.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.35 H2.71 Co0.19 N0.26 O1.42 -","- C3.35484 H2.70968 Co0.193548 N0.258065 O1.41935 -","- C104 H84 Co6 N8 O44 -","31","7.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0848","0.0534","","","0.1277","0.1401","","","","","","1.096","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230917","10.9348","0.0018","11.2863","0.0019","13.509","0.002","74.363","0.006","81.277","0.006","74.499","0.006","1541.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.95 H3.58 N0.21 Ni0.21 O1.68 -","- C2.94737 H3.57895 N0.210526 Ni0.210526 O1.68421 -","- C56 H68 N4 Ni4 O32 -","19","9.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1283","0.0669","","","0.1694","0.2073","","","","","","1.039","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230918","11.0005","0.0016","11.3676","0.0017","13.521","0.002","74.175","0.005","81.702","0.005","74.789","0.005","1564.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.8 H3.4 Co0.2 N0.2 O1.6 -","- C2.8 H3.4 Co0.2 N0.2 O1.6 -","- C56 H68 Co4 N4 O32 -","20","10","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0782","0.0514","","","0.1214","0.1339","","","","","","1.042","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230919","23.7839","0.0006","23.7839","0.0006","36.666","0.002","90","","90","","90","","20741","1.4","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C2.22 H2.09 N0.25 Ni0.25 O0.98 -","- C2.21538 H2.09231 N0.246154 Ni0.246154 O0.984615 -","- C576 H544 N64 Ni64 O256 -","260","","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1139","0.0522","","","0.1238","0.1357","","","","","","0.982","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230920","22.6151","0.0005","22.6151","0.0005","6.5646","0.0003","90","","90","","90","","3357.42","0.19","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0576","0.0449","","","0.0793","0.0858","","","","","","1.007","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230921","22.2989","0.0005","22.2989","0.0005","6.6471","0.0002","90","","90","","90","","3305.21","0.14","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0309","0.0275","","","0.0537","0.0554","","","","","","1.017","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230922","22.5083","0.0008","22.5083","0.0008","6.5855","0.0004","90","","90","","90","","3336.4","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0709","0.0532","","","0.0888","0.0982","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230923","22.6482","0.0005","22.6482","0.0005","6.5591","0.0002","90","","90","","90","","3364.43","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0498","0.0453","","","0.1083","0.1121","","","","","","1.053","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230924","22.5635","0.0005","22.5635","0.0005","6.5794","0.0002","90","","90","","90","","3349.65","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0529","0.0428","","","0.0762","0.0824","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230925","22.7194","0.0019","22.7194","0.0019","6.5611","0.0008","90","","90","","90","","3386.7","0.6","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0511","0.043","","","0.0936","0.0975","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230926","22.7012","0.0019","22.7012","0.0019","6.5603","0.0009","90","","90","","90","","3380.8","0.6","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1497","0.0957","","","0.188","0.2319","","","","","","1.054","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230927","22.6722","0.0006","22.6722","0.0006","6.5648","0.0003","90","","90","","90","","3374.5","0.2","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.062","0.0449","","","0.0709","0.0769","","","","","","1.028","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230928","22.738","0.002","22.738","0.002","6.5434","0.0009","90","","90","","90","","3383","0.6","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0774","0.0641","","","0.1559","0.1663","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230929","22.3673","0.0005","22.3673","0.0005","6.6855","0.0002","90","","90","","90","","3344.73","0.15","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.045","0.0376","","","0.0782","0.0808","","","","","","1.064","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230930","22.37","0.0006","22.37","0.0006","6.6942","0.0003","90","","90","","90","","3349.9","0.2","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0476","0.0388","","","0.0745","0.0776","","","","","","1.066","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230931","22.4172","0.0008","22.4172","0.0008","6.6766","0.0005","90","","90","","90","","3355.2","0.3","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0522","0.0394","","","0.0567","0.0611","","","","","","0.997","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230932","22.739","0.002","22.739","0.002","6.5506","0.0008","90","","90","","90","","3387.1","0.6","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0555","0.0443","","","0.0919","0.0966","","","","","","1.021","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230933","22.3068","0.0003","22.3068","0.0003","6.6532","0.0002","90","","90","","90","","3310.59","0.12","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0346","0.0283","","","0.0428","0.0448","","","","","","0.996","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230934","22.358","0.002","22.358","0.002","6.6738","0.0014","90","","90","","90","","3336.1","0.8","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0957","0.0786","","","0.1671","0.1811","","","","","","1.053","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230935","22.543","0.002","22.543","0.002","6.6249","0.0012","90","","90","","90","","3366.7","0.7","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1381","0.1062","","","0.2114","0.2401","","","","","","1.046","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230936","22.3926","0.0019","22.3926","0.0019","6.6569","0.0013","90","","90","","90","","3338","0.8","240","2","240","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1158","0.0883","","","0.1673","0.1896","","","","","","1.042","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230937","22.4161","0.0005","22.4161","0.0005","6.6101","0.0003","90","","90","","90","","3321.45","0.18","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0566","0.0456","","","0.0818","0.0881","","","","","","1.038","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230938","22.6358","0.0009","22.6358","0.0009","6.5964","0.0004","90","","90","","90","","3379.9","0.3","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0549","0.0411","","","0.0559","0.0608","","","","","","0.978","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230939","22.5343","0.0009","22.5343","0.0009","6.6415","0.0005","90","","90","","90","","3372.5","0.3","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0543","0.0416","","","0.06","0.0643","","","","","","0.981","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230940","22.7219","0.0011","22.7219","0.0011","6.589","0.0006","90","","90","","90","","3401.8","0.4","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0871","0.0635","","","0.0985","0.1109","","","","","","1.024","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230941","22.581","0.002","22.581","0.002","6.665","0.0014","90","","90","","90","","3398.5","0.8","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1282","0.0934","","","0.1922","0.2233","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230951","25.068","0.005","42.667","0.002","13.8078","0.0011","90","","90","","90","","14768","3","100.01","0.1","100.01","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C42 H18 O16 Zr3 -","- C42 H18 O16 Zr3 -","- C336 H144 O128 Zr24 -","8","0.5","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54184","CuKα","","0.101","0.0711","","","0.1909","0.216","","","","","","0.943","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230952","42.7196","0.0015","23.6272","0.0018","21.5936","0.0009","90","","120.317","0.004","90","","18814.8","1.9","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu2 O10 -","- C42 H22 Cu2 O10 -","- C336 H176 Cu16 O80 -","8","1","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54178","CuKα","","0.1478","0.0991","","","0.2629","0.2937","","","","","","1.04","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230953","4.8969","0.0007","14.198","0.002","14.446","0.002","110.345","0.003","91.603","0.003","94.335","0.003","937.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0841","0.0623","","","0.1593","0.1733","","","","","","1.043","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230954","7.1065","0.0008","11.5273","0.0012","32.724","0.003","90","","90","","90","","2680.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 Ni O14 -","- C22 H36 N2 Ni O14 -","- C88 H144 N8 Ni4 O56 -","4","1","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0596","0.0571","","","0.1362","0.1378","","","","","","1.118","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230955","9.8329","0.001","14.8689","0.0016","15.4142","0.0016","83.428","0.002","72.557","0.002","71.871","0.002","2042.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.1281","0.097","","","0.203","0.213","","","","","","1.145","","","","has coordinates","228878","2020-10-21","18:00:00",""
"7230956","7.632","0.006","17.468","0.009","5.313","0.005","90","","95.791","0.007","90","","704.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 O6 U -","- C14 H10 O6 U -","- C28 H20 O12 U2 -","2","0.25","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0322","0.0322","","","","","","1.145","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230957","5.1074","0.0004","17.6516","0.0015","9.0688","0.0008","90","","94.061","0.009","90","","815.53","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 O6 U -","- C14 H8 Br2 O6 U -","- C28 H16 Br4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0325","0.0223","","","0.0478","0.0512","","","","","","1.022","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230958","5.0806","0.0004","17.9621","0.0012","9.3867","0.0006","90","","93.553","0.008","90","","854.97","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 I2 O6 U -","- C14 H8 I2 O6 U -","- C28 H16 I4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0263","0.0233","","","0.0558","0.057","","","","","","1.089","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230959","18.391","0.008","8.604","0.005","10.512","0.007","90","","90.911","0.006","90","","1663.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl4 O14 U2 -","- C28 H20 Cl4 O14 U2 -","- C56 H40 Cl8 O28 U4 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0349","0.0246","","","0.0555","0.058","","","","","","1.045","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230976","14.89","0.008","10.564","0.005","23.285","0.011","90","","107.455","0.006","90","","3494","3","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H14 Eu O8 P -","- C21 H14 Eu O8 P -","- C84 H56 Eu4 O32 P4 -","4","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.1846","0.0714","","","0.1614","0.2032","","","","","","0.913","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230977","10.4402","0.0006","14.6618","0.0008","23.087","0.0013","72.521","0.002","88.719","0.002","87.591","0.002","3367.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Dy2 O16 P2 -","- C42 H28 Dy2 O16 P2 -","- C84 H56 Dy4 O32 P4 -","2","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.0642","0.06","","","0.1437","0.1461","","","","","","1.117","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230978","15.06","0.003","17.24","0.003","18.79","0.004","92.09","0.03","100.49","0.03","115.21","0.03","4304","2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H77 Co4 N14 O39.5 -","- C90 H74 Co4 N14 O39.5 -","- C180 H148 Co8 N28 O79 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.125","0.088","","","0.2352","0.2699","","","","","","1.007","","","","has coordinates,has disorder","228875","2020-10-21","18:00:00",""
"7230979","16.464","0.003","9.18","0.0018","25.501","0.005","90","","101.94","0.03","90","","3770.8","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Co N6 O16 -","- C40 H32 Co N6 O16 -","- C160 H128 Co4 N24 O64 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0561","0.0508","","","0.1344","0.1385","","","","","","1.052","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230980","9.669","0.0019","13.649","0.003","14.082","0.003","109.91","0.03","106.2","0.03","99.92","0.03","1602.8","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 N4 O8 Zn -","- C30 H18 N4 O8 Zn -","- C60 H36 N8 O16 Zn2 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1466","0.0972","","","0.2803","0.3216","","","","","","1.058","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230981","26.66","0.005","7.272","0.0015","27.642","0.006","90","","90","","90","","5359","1.9","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C60 H54 Co2 N8 O18 -","- C60 H54 Co2 N8 O18 -","- C240 H216 Co8 N32 O72 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0929","0.0781","","","0.2057","0.2171","","","","","","1.032","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230982","27.105","0.005","14.012","0.003","7.495","0.0015","90","","94.37","0.03","90","","2838.3","1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cu N4 O10 -","- C28 H30 Cu N4 O10 -","- C112 H120 Cu4 N16 O40 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","Synchrotron","","0.1425","0.0849","","","0.2502","0.2917","","","","","","1.045","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230983","11.713","0.002","11.938","0.002","12.993","0.003","115.19","0.03","105.01","0.03","96.15","0.03","1538.1","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cu N4 O8 -","- C30 H18 Cu N4 O8 -","- C60 H36 Cu2 N8 O16 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1171","0.0775","","","0.1915","0.2173","","","","","","1.055","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230984","7.251","0.0015","18.38","0.004","17.791","0.004","90","","92.74","0.03","90","","2368.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Co N4 O8 -","- C28 H16 Co N4 O8 -","- C112 H64 Co4 N16 O32 -","4","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0682","0.0657","","","0.1422","0.1444","","","","","","1.218","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230985","16.827","0.003","28.485","0.006","7.4","0.0015","90","","90.71","0.03","90","","3546.7","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11.5 N2 O10.25 Zn -","- C18 H11 N2 O10.25 Zn -","- C144 H88 N16 O82 Zn8 -","8","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0977","0.0866","","","0.2614","0.2687","","","","","","1.079","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230986","16.468","0.003","9.169","0.0018","25.512","0.005","90","","102.04","0.03","90","","3767.4","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N6 O16 Zn -","- C40 H32 N6 O16 Zn -","- C160 H128 N24 O64 Zn4 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1341","0.0901","","","0.222","0.2552","","","","","","1.043","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230987","9.864","0.002","13.216","0.003","13.312","0.003","113.74","0.03","98.29","0.03","92.58","0.03","1561.7","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Cu N5 O13 -","- C32 H27 Cu N5 O13 -","- C64 H54 Cu2 N10 O26 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0842","0.0684","","","0.1913","0.2073","","","","","","1.038","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230988","10.1188","0.0007","10.942","0.0011","11.7024","0.001","63.853","0.009","82.358","0.006","72.588","0.007","1109.8","0.19","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 N3 O8.18 Zn -","- C23 H13 N3 O8.168 Zn -","- C46 H26 N6 O16.336 Zn2 -","2","1","","Shi, Ying; Song, Tian-Qun; Cao, Chun-Shuai; Zhao, Bin","A two-fold interpenetrated zinc‒organic framework: luminescence detection of CrO42−/Cr2O72− and chemical conversion of CO2","CrystEngComm","2018","20","39","6040","","10.1039/C8CE00673C","","x-ray","0.71073","MoKα","","0.0761","0.0544","","","0.1313","0.1459","","","","","","0.941","","","","has coordinates","228979","2020-10-21","18:00:00",""
"7230989","8.0233","0.0005","7.9864","0.0006","9.3673","0.0006","90","","95.686","0.002","90","","597.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O7 -","- C8 H16 N4 O7 -","- C16 H32 N8 O14 -","2","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0284","0.0282","","","0.0752","0.0756","","","","","","1.068","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230990","31.8791","0.0012","5.0676","0.0002","8.8564","0.0004","90","","96.049","0.004","90","","1422.79","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C48 H96 N8 O16 -","4","0.5","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.046","0.0435","","","0.1163","0.1188","","","","","","1.085","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230991","9.4044","0.0002","8.2033","0.0002","7.775","0.0002","90","","101.659","0.001","90","","587.44","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0332","0.0329","","","0.0882","0.0885","","","","","","1.009","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230992","4.9064","0.0003","8.7118","0.0006","17.1527","0.0014","102.543","0.007","96.249","0.005","90.472","0.005","711.03","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","x-ray","1.54178","CuKα","","0.0528","0.0453","","","0.1155","0.1207","","","","","","1.049","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230993","9.8954","0.0004","19.31","0.0009","8.9868","0.0004","90","","90","","90","","1717.2","0.13","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C48 H96 N16 O32 -","8","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0455","0.0371","","","0.0996","0.106","","","","","","1.025","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230994","5.0193","0.0003","8.6051","0.0006","10.2069","0.0007","69.005","0.004","77.721","0.004","89.513","0.004","401.06","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0394","0.0389","","","0.096","0.0968","","","","","","1.045","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230995","19.637","0.004","4.9347","0.0013","8.4645","0.0017","90","","92.281","0.012","90","","819.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0734","0.0628","","","0.1894","0.2231","","","","","","1.137","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230996","8.0175","0.0004","8.1062","0.0004","9.2562","0.0004","90","","95.619","0.002","90","","598.68","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C16 H32 N8 O16 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0333","0.033","","","0.0857","0.086","","","","","","1.18","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230997","14.8822","0.0007","14.2697","0.0007","12.8142","0.0006","90","","106.409","0.002","90","","2610.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil anisole solvate","","- C51 H68 N12 O9 S2 -","- C51 H68 N12 O9 S2 -","- C102 H136 N24 O18 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0658","0.0585","","","0.1644","0.1704","","","","","","1.037","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7230998","15.6055","0.0005","13.5523","0.0004","12.5064","0.0004","90","","106.362","0.001","90","","2537.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil dioxane solvate","","- C24 H34 N6 O5 S -","- C24 H34 N6 O5 S -","- C96 H136 N24 O20 S4 -","4","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0661","0.0405","","","0.0955","0.1181","","","","","","0.999","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7230999","14.8287","0.0006","14.3781","0.0006","12.7277","0.0005","90","","106.483","0.001","90","","2602.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-[2-ethoxy-5-(4-methylpiperazin-1-yl) sulfonyl-phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one","Sildenafil toluene solvate","","- C51 H68 N12 O8 S2 -","- C51 H68 N12 O8 S2 -","- C102 H136 N24 O16 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0415","0.0339","","","0.0949","0.0994","","","","","","1.044","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7231000","16.3399","0.0007","8.5767","0.0003","40.1148","0.0016","90","","90","","90","","5621.8","0.4","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sildenafil chloroform solvate","","- C23 H31 Cl3 N6 O4 S -","- C23 H31 Cl3 N6 O4 S -","- C184 H248 Cl24 N48 O32 S8 -","8","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.1117","0.0661","","","0.1718","0.1981","","","","","","1.026","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7231001","7.176","0.002","13.512","0.005","11.93","0.004","90","","106.582","0.005","90","","1108.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-Bromo-1-adamantyl)acetic acid, 3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid","3-bromoadamantane-1-acetic acid","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0232","0.0188","","","0.0482","0.0499","","","","","","1.062","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231002","18.173","0.013","6.598","0.005","18.585","0.013","90","","111.339","0.011","90","","2076","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-Adamantylacetic acid","1-Adamantaneacetic acid","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0737","0.0426","","","0.0938","0.1094","","","","","","1.026","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231003","4.9952","0.0004","5.9493","0.0005","13.8126","0.0012","95.593","0.013","90.98","0.012","90.965","0.011","408.4","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0904","0.0659","","","0.1615","0.1743","","","","","","1.107","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231004","9.6161","0.0008","18.9415","0.0018","9.993","0.0009","90","","90","","90","","1820.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1277","0.0506","","","0.1188","0.1662","","","","","","0.892","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231005","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1348","0.0499","","","0.1264","0.179","","","","","","0.945","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231006","11.288","0.0008","10.062","0.0007","23.0573","0.0016","90","","103.722","0.004","90","","2544.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0653","0.0392","","","0.105","0.1279","","","","","","0.878","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231007","9.1728","0.0007","17.8422","0.0014","10.42","0.0008","90","","90","","90","","1705.4","0.2","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca0.61 N3 O6 Sr0.4 -","- C9 H21 Br2 Ca0.605 N3 O6 Sr0.395 -","- C36 H84 Br8 Ca2.42 N12 O24 Sr1.58 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0787","0.0384","","","0.112","0.1421","","","","","","0.895","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231008","5.0003","0.0005","5.9936","0.0006","13.845","0.0015","95.502","0.019","91.031","0.019","91.228","0.017","412.84","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0886","0.0422","","","0.1041","0.1271","","","","","","0.64","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231009","9.8652","0.0007","19.267","0.0015","10.3186","0.0008","90","","90","","90","","1961.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0916","0.0421","","","0.0964","0.1239","","","","","","0.977","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231010","11.3056","0.0007","10.0982","0.0007","23.1494","0.0016","90","","103.484","0.008","90","","2570","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1344","0.0545","","","0.136","0.1725","","","","","","0.826","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231011","4.7711","0.0004","5.3186","0.0004","13.5193","0.0012","84.365","0.012","82.08","0.012","87.969","0.012","338.06","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.092","0.0625","","","0.2379","0.2468","","","","","","1.639","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231012","8.7723","0.0006","10.5359","0.0007","36.582","0.0003","90","","90","","90","","3381.1","0.3","173","2","173","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0445","0.0307","","","0.1102","0.1299","","","","","","1.015","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231013","8.793","0.0006","10.3957","0.0007","17.9","0.0013","90","","91.982","0.006","90","","1635.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0955","0.0451","","","0.1118","0.1431","","","","","","0.857","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231014","4.8078","0.0004","5.3548","0.0004","13.662","0.0012","83.825","0.012","82.288","0.012","87.503","0.012","346.37","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0777","0.0429","","","0.1082","0.1289","","","","","","0.815","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231015","8.7535","0.0006","10.3752","0.0007","17.8337","0.0013","90","","91.867","0.006","90","","1618.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0768","0.039","","","0.1001","0.1262","","","","","","0.823","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231016","8.8611","0.0006","10.5404","0.0007","36.611","0.0003","90","","90","","90","","3419.5","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0845","0.0501","","","0.1551","0.1782","","","","","","1.165","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231017","4.7825","0.0005","5.3422","0.0005","13.6722","0.0014","84.343","0.017","80.426","0.017","88.026","0.017","342.71","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1018","0.0648","","","0.2188","0.2299","","","","","","1.335","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231018","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0333","0.0274","","","0.0902","0.0957","","","","","","0.799","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231019","9.5844","0.0006","18.9445","0.0013","9.9448","0.0006","90","","90","","90","","1805.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.051","0.0288","","","0.0868","0.109","","","","","","0.794","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231020","8.9965","0.0007","17.6045","0.0003","10.3191","0.0015","90","","90","","90","","1634.3","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Ca0.57 Cl2 N3 O6 Sr0.43 -","- C9 H21 Ca0.566 Cl2 N3 O6 Sr0.434 -","- C36 H84 Ca2.264 Cl8 N12 O24 Sr1.736 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0666","0.0522","","","0.146","0.1521","","","","","","1.079","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231021","9.8288","0.0007","19.216","0.0015","10.2845","0.0008","90","","90","","90","","1942.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0799","0.0406","","","0.0947","0.1149","","","","","","0.978","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231022","11.8036","0.0001","33.2827","0.0004","12.5383","0.0001","90","","109.616","0.001","90","","4639.87","0.08","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate","","- C81 H96 Ag2 B2 F8 N14 O22 -","- C81 H92 Ag2 B2 F8 N14 O22 -","- C162 H184 Ag4 B4 F16 N28 O44 -","2","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.0754","0.0704","","","0.2009","0.208","","","","","","1.036","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231023","34.7067","0.0011","20.143","0.0005","32.4896","0.0013","90","","103.879","0.004","90","","22050.3","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II)nitrate","","- C114 H84 Co3 N18 O48 -","- C114 H84 Co3 N12 O30 -","- C456 H336 Co12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1043","0.0841","","","0.2736","0.2882","","","","","","1.107","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231024","13.6325","0.0004","14.2524","0.0002","14.6263","0.0006","81.277","0.003","67.96","0.003","79.096","0.002","2576.42","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","hexakis(isonicotinoyl)cyclotricatechylene dimethyl formamide clathrate","","- C60 H43 N7 O13 -","- C60 H43 N7 O13 -","- C120 H86 N14 O26 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1011","0.0642","","","0.1879","0.2075","","","","","","0.969","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231025","35.931","0.0011","20.5186","0.0005","32.4986","0.0015","90","","111.33","0.003","90","","22318.5","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexabromobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C120 H86 Br6 Co3 N14 O26 -","- C120 H86 Br6 Co3 N14 O26 -","- C480 H344 Br24 Co12 N56 O104 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1114","0.0884","","","0.2873","0.303","","","","","","1.06","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231026","35.226","0.003","20.1867","0.0012","33.622","0.002","90","","110.454","0.009","90","","22401","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexachlorobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C114 H72 Cl6 Co3 N12 O24 -","- C114 H72 Cl6 Co3 N12 O24 -","- C456 H288 Cl24 Co12 N48 O96 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1674","0.1297","","","0.3405","0.3663","","","","","","1.08","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231027","34.8581","0.0012","20.3238","0.0007","30.9326","0.0009","90","","97.984","0.003","90","","21701.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricopper(II)nitrate","","- C114 H84 Cu3 N18 O48 -","- C114 H72 Cu3 N12 O30 -","- C456 H288 Cu12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1204","0.0957","","","0.2812","0.3043","","","","","","0.999","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231028","19.6665","0.0004","19.6665","0.0004","31.6873","0.001","90","","90","","120","","10613.8","0.5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","trisbromotriscarbonylbis{hexakis(isonicotinoyl)cyclotricatechylene}trirhenium(I) nitromethane clathrate","","- C119 H90 Br3 N14 O37 Re3 -","- C116 H78.12 Br3 N14 O33.96 Re3 -","- C348 H234.36 Br9 N42 O101.88 Re9 -","3","0.0833333","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1518","0.1496","","","0.497","0.5003","","","","","","2.517","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231029","35.4694","0.0008","20.3503","0.0005","33.3657","0.0007","90","","110.579","0.003","90","","22547","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetraquobis{hexakis(isonicotinoyl)cyclotricatechylene}diiodotricobalt(II) iodide","","- C114 H81 Co3 I6 N12 O28.5 -","- C114 H72 Co3 I4 N12 O28.5 -","- C456 H288 Co12 I16 N48 O114 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.162","0.1409","","","0.393","0.4171","","","","","","1.559","","","","has coordinates,has disorder","228882","2020-10-21","18:00:00",""
"7231030","18.1806","0.0011","18.4809","0.0011","19.4599","0.0013","103.319","0.006","109.243","0.006","103.091","0.005","5672.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","[hexakis(isonicotinoyl)cyclotricatechylene] tris(trifluoroacetate)(isoniconinate)dicopper(II)","","","- C69 H40 Cu2 F9 N7 O20 -","- C69 H40 Cu2 F9 N7 O20 -","- C138 H80 Cu4 F18 N14 O40 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","x-ray","1.54184","CuKα","","0.1792","0.1249","","","0.3474","0.3868","","","","","","1.054","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231031","8.9164","0.0006","16.6045","0.001","16.3908","0.0011","90","","101.409","0.003","90","","2378.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 F6 N2 -","- C29 H18 F6 N2 -","- C116 H72 F24 N8 -","4","2","","Panda, Manas K.; Ravi, Nayana; Asha, P.; Prakasham, A. P.","High contrast mechanochromic and thermochromic luminescence switching by a deep red emitting organic crystal","CrystEngComm","2018","20","39","6046","","10.1039/C8CE00696B","","","0.71073","MoKα","","0.1183","0.0836","","","0.2499","0.2874","","","","","","1.045","","","","has coordinates","228968","2020-10-21","18:00:00",""
"7231032","20.84368","0.00081","20.84368","0.00081","24.3675","0.0025","90","","90","","120","","9168.3","1.1","","","298","","","","","","","","","4","P 63/m","-P 6c","176","","Hf-CAU-39","Hf-CAU-39","- C72 Hf12 N24 O104.38 -","- C72 Hf12 N24 O104.38 -","- C144 Hf24 N48 O208.76 -","2","0.166667","","Waitschat, Steve; Reinsch, Helge; Arpacioglu, Merve; Stock, Norbert","Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBUs","CrystEngComm","2018","20","35","5108","","10.1039/C8CE00949J","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229125","2020-10-21","18:00:00",""
"7231033","16.9172","0.0002","16.9172","0.0002","17.9975","0.0003","90","","90","","120","","4460.67","0.11","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C65 H64 Fe N12 O7 -","- C65 H59 Fe N12 O6 -","- C195 H177 Fe3 N36 O18 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.043","0.0381","","","0.0979","0.1048","","","","","","1.069","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231034","17.079","0.0013","17.079","0.0013","17.9429","0.0016","90","","90","","120","","4532.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C65 H66 Co N12 O8 -","- C57 H36 Co N12 O4 -","- C171 H108 Co3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0612","0.0506","","","0.133","0.1468","","","","","","1.044","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231035","17.008","0.0015","17.008","0.0015","18.496","0.0018","90","","90","","120","","4633.6","0.7","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C69 H70 Fe N12 O7 -","- C61 H43 Fe N12 O5 -","- C183 H129 Fe3 N36 O15 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.1264","0.0828","","","0.1954","0.2231","","","","","","0.938","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231036","17.7212","0.0004","18.6855","0.0006","20.2478","0.0004","90","","90","","90","","6704.6","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H68 F9 Fe N12 O11 -","- C62 H36 F9 Fe N12 O -","- C248 H144 F36 Fe4 N48 O4 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0721","0.0618","","","0.1705","0.1839","","","","","","1.063","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231037","17.0059","0.0002","17.0059","0.0002","17.2491","0.0002","90","","90","","120","","4320.13","0.09","150","0.1","150","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C57 H44 Fe N12 O5 -","- C57 H39 Fe N12 O4 -","- C171 H117 Fe3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.038","0.0378","","","0.1089","0.1092","","","","","","1.088","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231038","18.1082","0.0008","15.7956","0.0005","20.1176","0.0008","90","","100.471","0.004","90","","5658.4","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H47 Co F9 N12 O4 -","- C60 H31 Co F9 N12 O2 -","- C240 H124 Co4 F36 N48 O8 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.111","0.0772","","","0.2246","0.2542","","","","","","1.059","","","","has coordinates,has disorder","228877","2020-10-21","18:00:00",""
"7231043","11.7141","0.0003","18.6463","0.0005","27.0913","0.0007","90","","90","","90","","5917.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","0.71073","MoKα","","0.0857","0.059","","","0.1475","0.1639","","","","","","1.08","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231044","5.0771","0.0006","10.394","0.0019","33.371","0.007","90","","90","","90","","1761","0.5","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C60 H112 N8 O20 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","1.54184","CuKα","","0.1034","0.0806","","","0.2175","0.2645","","","","","","1.067","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231045","9.9154","0.0008","9.9154","0.0008","21.343","0.002","90","","90","","90","","2098.3","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0217","0.0191","","","0.0485","0.0505","","","","","","1.092","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231046","9.9138","0.0003","9.9138","0.0003","21.3276","0.0008","90","","90","","90","","2096.15","0.12","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0204","0.0203","","","0.0538","0.0539","","","","","","1.143","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231047","9.9041","0.0003","9.9041","0.0003","21.3545","0.0007","90","","90","","90","","2094.69","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0197","","","0.0507","0.0507","","","","","","1.134","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231048","9.8663","0.0006","9.8663","0.0006","21.1146","0.0017","90","","90","","90","","2055.4","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0187","0.0178","","","0.0473","0.0477","","","","","","1.137","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231049","9.9077","0.0012","9.9077","0.0012","21.33","0.003","90","","90","","90","","2093.8","0.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0193","","","0.0502","0.0509","","","","","","1.127","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231050","9.8592","0.0004","9.8592","0.0004","21.122","0.001","90","","90","","90","","2053.14","0.15","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0162","0.016","","","0.044","0.0442","","","","","","1.129","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231051","9.8258","0.0019","9.8258","0.0019","21.005","0.005","90","","90","","90","","2028","0.7","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0164","0.0156","","","0.0405","0.0408","","","","","","1.08","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231052","9.8329","0.0012","9.8329","0.0012","21.061","0.002","90","","90","","90","","2036.3","0.4","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0266","0.0235","","","0.0565","0.0575","","","","","","1.04","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231057","4.5145","0.0004","12.0237","0.0011","28.87","0.003","90","","90","","90","","1567.1","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N12 O10 -","- C8 H6 N12 O10 -","- C32 H24 N48 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0733","0.0431","","","0.0876","0.0991","","","","","","1.041","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231058","4.7645","0.0006","6.9326","0.0008","12.4985","0.0014","100.528","0.004","93.057","0.004","108.417","0.004","382.35","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","1","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0783","0.0419","","","0.0696","0.0791","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231059","8.0468","0.0005","16.0227","0.001","8.3828","0.0004","90","","105.085","0.002","90","","1043.56","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0558","0.0369","","","0.0766","0.0837","","","","","","1.026","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231060","11.9711","0.0012","6.8493","0.0006","13.2618","0.0012","90","","102.882","0.003","90","","1060.02","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0864","0.0453","","","0.082","0.0942","","","","","","1.048","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231061","14.701","0.003","4.1634","0.0007","14.187","0.0019","90","","110.503","0.007","90","","813.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O10 -","- C8 H8 N14 O10 -","- C16 H16 N28 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1322","0.0606","","","0.0982","0.1195","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231062","28.666","0.003","4.5532","0.0005","14.061","0.0016","90","","95.658","0.004","90","","1826.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N16 O10 -","- C9 H10 N16 O10 -","- C36 H40 N64 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1185","0.0629","","","0.1186","0.1414","","","","","","1.051","","","","has coordinates,has disorder","229080","2020-10-21","18:00:00",""
"7231063","7.0523","0.0007","19.0738","0.0019","9.4159","0.0012","90","","111.758","0.004","90","","1176.3","0.2","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N22 O10 -","- C12 H16 N22 O10 -","- C24 H32 N44 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0868","0.0486","","","0.0865","0.0978","","","","","","1.043","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231067","7.5056","0.0003","25.0862","0.0009","15.2376","0.0006","90","","93.195","0.002","90","","2864.58","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N11 O7 -","- C26 H37 N11 O7 -","- C104 H148 N44 O28 -","4","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0471","0.0414","","","0.1073","0.111","","","","","","1.057","","","","has coordinates","223641","2020-10-21","18:00:00",""
"7231068","6.6482","0.0003","8.7311","0.0004","10.9852","0.0005","82.631","0.002","84.273","0.002","83.701","0.003","626.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C22 H30 N10 O6 -","2","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0434","0.0351","","","0.0855","0.0896","","","","","","1.048","","","","has coordinates","223641","2020-10-21","18:00:00",""
"7231069","19.8185","0.0005","19.8185","0.0005","26.1867","0.0006","90","","90","","90","","10285.4","0.4","99.96","","99.96","","","","","","","","","5","I -4","I -4","82","","","","- As4 Na5.35 O182.4 U2 W40 -","- As4 Na5.35 O182.4 U2 W40 -","- As8 Na10.7 O364.8 U4 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","","0.71073","MoKα","","0.0743","0.0457","","","0.0917","0.1017","","","","","","0.994","","","","has coordinates","208810","2020-10-21","18:00:00",""
"7231070","23.184","0.002","29.532","0.003","14.5168","0.0013","90","","90","","90","","9939.2","1.6","100","","100","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C3.5 As4 Na13 O226 U4 W40 -","- C3.5 As4 Na13 O226 U4 W40 -","- C7 As8 Na26 O452 U8 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.56086","AgKα","","0.0524","0.0408","","","0.1149","0.138","","","","","","1.049","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231071","19.5645","0.0007","26.6677","0.001","38.3039","0.0015","106.064","0.002","96.373","0.002","90.129","0.002","19074.3","1.3","99.97","","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C3.5 As4 Na7.5 O186.5 U2 W40 -","- C3.5 As4 Na7.5 O186.5 U2 W40 -","- C14 As16 Na30 O746 U8 W160 -","4","2","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.71073","MoKα","","0.1385","0.0769","","","0.1438","0.1672","","","","","","1.03","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231072","8.42518","0.00012","8.39871","0.00016","20.2469","0.0003","90","","91.5852","0.0013","90","","1432.14","0.04","150.04","0.1","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.0628","0.0587","","","0.1684","0.1727","","","","","","1.03","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231073","8.4668","0.0007","8.4576","0.0008","20.568","0.002","90","","90.676","0.009","90","","1472.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.119","0.0649","","","0.1692","0.2091","","","","","","1.064","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231077","13.436","0.003","19.819","0.003","13.591","0.003","90","","118.29","0.02","90","","3186.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl3 N7 O3 -","- C30 H36 Cl3 N7 O3 -","- C120 H144 Cl12 N28 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3471","0.1065","","","0.155","0.2133","","","","","","1.106","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231078","16.7927","0.0012","21.2995","0.0013","14.8349","0.0006","90","","90","","90","","5306.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H72 Br Cl3 N8 O3 -","- C46 H72 Br Cl3 N8 O3 -","- C184 H288 Br4 Cl12 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2022","0.0901","","","0.1589","0.2352","","","","","","0.836","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231079","8.9493","0.0005","22.5028","0.0014","25.721","0.002","90","","90.732","0.006","90","","5179.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 Br3 F N8 O3 -","- C46 H72 Br3 F N8 O3 -","- C184 H288 Br12 F4 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1567","0.0677","","","0.1564","0.2007","","","","","","1.103","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231080","15.372","0.006","21.983","0.006","26.797","0.009","90","","92.632","0.01","90","","9046","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Br6 F6 N14 O6 Si -","- C60 H70 Br6 F6 N14 O6 Si -","- C240 H280 Br24 F24 N56 O24 Si4 -","4","0.5","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3126","0.0927","","","0.209","0.2246","","","","","","1.101","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231081","13.6203","0.0007","16.4617","0.0006","25.0998","0.0013","108.871","0.004","95.521","0.004","91.523","0.004","5290.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H143 Cl6 N16 O10 S -","- C92 H143 Cl6 N16 O10 S -","- C184 H286 Cl12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2075","0.0964","","","0.2502","0.312","","","","","","1.173","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231082","19.3717","0.0013","22.5639","0.0014","19.5218","0.001","90","","92.14","0.006","90","","8527","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C77 H110 Cl6 N16 O9 -","- C77 H110 Cl6 N16 O9 -","- C308 H440 Cl24 N64 O36 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2546","0.0973","","","0.1486","0.2015","","","","","","1.161","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231083","13.738","0.002","16.583","0.003","25.631","0.004","108.151","0.015","97.637","0.012","93.047","0.014","5471.6","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H144 Br6 N16 O10 S -","- C92 H144 Br6 N16 O10 S -","- C184 H288 Br12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1626","0.099","","","0.2657","0.3247","","","","","","1.193","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231084","13.5642","0.0008","29.3201","0.0014","17.5854","0.0014","90","","109.811","0.008","90","","6579.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br3 N7 O3 -","- C30 H36 Br3 N7 O3 -","- C240 H288 Br24 N56 O24 -","8","2","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2589","0.0703","","","0.141","0.2393","","","","","","0.884","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231085","16.6856","0.0013","21.5029","0.0018","14.7395","0.0013","90","","90","","90","","5288.4","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H71 Cl4 N8 O3 -","- C46 H71 Cl4 N8 O3 -","- C184 H284 Cl16 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1871","0.0956","","","0.1837","0.2218","","","","","","1.19","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231086","19.954","0.003","9.7592","0.0012","7.2875","0.001","90","","90","","90","","1419.1","0.3","173","0.1","173","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0582","0.0449","","","0.099","0.1091","","","","","","1.059","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231087","12.4512","0.0009","19.7388","0.0014","14.6081","0.0015","90","","90","","90","","3590.3","0.5","172.8","0.3","172.8","0.3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H35 N4 O4 -","- C48 H35 N4 O4 -","- C192 H140 N16 O16 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0847","0.0559","","","0.1299","0.1477","","","","","","1.033","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231088","21.627","0.002","7.3399","0.0007","20.281","0.003","90","","117.943","0.007","90","","2844.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21.7 N2 O6.85 -","- C29 H21.7 N2 O6.85 -","- C116 H86.8 N8 O27.4 -","4","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1492","0.0821","","","0.2051","0.2523","","","","","","0.992","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231089","7.1365","0.0009","22.3829","0.0014","30.1328","0.0015","90","","90","","90","","4813.3","0.7","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1141","0.0593","","","0.1003","0.1224","","","","","","1.005","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231090","13.1102","0.0005","14.3955","0.0006","30.2012","0.0014","90","","90","","90","","5699.8","0.4","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C31 H25.5 N2.5 O7 -","- C31 H23 N2.5 O7 -","- C248 H184 N20 O56 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1011","0.068","","","0.1947","0.2262","","","","","","1.035","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231091","52.2362","0.0018","7.4175","0.0003","32.1601","0.0012","90","","104.831","0.004","90","","12045.7","0.8","200.05","0.1","200.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H55.5 N6 O10.75 -","- C72 H55.5 N6 O10.75 -","- C576 H444 N48 O86 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0938","0.0655","","","0.1671","0.1859","","","","","","1.052","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231092","28.5523","0.0008","28.5523","0.0008","28.3085","0.001","90","","90","","120","","19986.2","1.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","poly-{[tris(mu7-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':k2O'''',O''''':kO'''':kO''''')bis(mu9-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO:kO':kO'':kO'':kO''':kO'''':kO'''':kO''''')(mu6-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':kO'''':kO''''')nonakis(dimethylformamide)octadecacalcium(II)] heneicosa(dimetylfomramide)}","","- C84 H100 Ca3 N10 O22 -","- C66 H58 Ca3 N4 O16 -","- C594 H522 Ca27 N36 O144 -","9","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0933","0.0637","","","0.1558","0.1697","","","","","","0.991","","","","has coordinates","228950","2020-10-21","18:00:00",""
"7231093","10.8141","0.0012","10.8141","0.0012","10.244","0.002","90","","90","","120","","1037.5","0.3","100","2","100","2","","","","","","","","5","P 31","P 31","144","","poly-[(mu5-2-amino-1,4-benzenedicarboxylate -kO:k2O,O':kO':k2O'',O''':kO'')(dimethylformamide)barium(II)]","","- C11 H12 Ba N2 O5 -","- C11 H5 Ba N2 O5 -","- C33 H15 Ba3 N6 O15 -","3","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0386","0.0359","","","0.074","0.0759","","","","","","1.041","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231094","12.54","0.005","6.683","0.005","19.46","0.005","90","","116.17","0.02","90","","1463.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly-{[diaqua(mu-1,4-benzenedicarboxylate-k2O,O':k2O'',O''')(mu6-1,4-benzenedicarboxylate-?O:?2O,O':?O':?O'':?2O'',O''':?O''' ) bis(dimethylformamide)dicalcium(II)] tetrahydrate}","","- C11 H17 Ca N O8 -","- C11 H13 Ca N O6 -","- C44 H52 Ca4 N4 O24 -","4","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0581","0.0502","","","0.1472","0.1543","","","","","","1.061","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231102","21.5521","0.0008","7.4568","0.0003","11.8391","0.0005","90","","97.832","0.002","90","","1884.91","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O S3 -","- C17 H18 N4 O S3 -","- C68 H72 N16 O4 S12 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0564","0.0525","","","0.1455","0.1492","","","","","","1.043","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231103","13.212","0.0012","8.2301","0.0008","28.449","0.002","90","","95.856","0.006","90","","3077.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C128 H112 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1091","0.0966","","","0.2433","0.2531","","","","","","1.039","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231104","8.4909","0.0002","10.4575","0.0002","17.7945","0.0004","90","","100.289","0.001","90","","1554.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0393","0.0357","","","0.0937","0.0961","","","","","","1.035","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231105","6.7644","0.0005","7.2881","0.0005","21.7998","0.0015","92.975","0.003","93.114","0.002","101.098","0.003","1050.93","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br N4 O3 Re S2 -","- C19 H14 Br N4 O3 Re S2 -","- C38 H28 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0325","0.0288","","","0.0717","0.0739","","","","","","1.054","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231106","13.674","0.0003","10.4643","0.0002","19.2746","0.0004","90","","110.406","0.001","90","","2584.9","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl N4 O3 Re S2 -","- C25 H18 Cl N4 O3 Re S2 -","- C100 H72 Cl4 N16 O12 Re4 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0303","0.0285","","","0.0775","0.08","","","","","","1.002","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231107","7.658","0.003","8.649","0.003","16.281","0.011","90.16","0.03","97.44","0.04","99.22","0.02","1055.2","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C38 H28 Cl2 N8 O6 Re2 S4 -","8","4","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0229","0.0211","","","0.0534","0.0546","","","","","","1.061","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231108","10.2951","0.0008","16.0225","0.0016","13.4259","0.0011","90","","104.251","0.006","90","","2146.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br0 N8 O6 Re2 S4 -","- C40 H30 N8 O6 Re2 S4 -","- C80 H60 N16 O12 Re4 S8 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0903","0.0461","","","0.0922","0.1031","","","","","","0.907","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231109","7.0142","0.001","10.5833","0.0015","26.777","0.004","90","","92.457","0.008","90","","1985.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O2 S2 -","- C19 H22 N4 O2 S2 -","- C76 H88 N16 O8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0982","0.0768","","","0.2154","0.2405","","","","","","1.072","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231110","11.1685","0.0011","11.8169","0.0012","14.2696","0.0015","67.082","0.004","69.126","0.003","83.278","0.004","1620.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Br N4 O3 Re S2 -","- C32 H26 Br N4 O3 Re S2 -","- C64 H52 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0296","0.0263","","","0.0665","0.0688","","","","","","1.082","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231111","8.6134","0.0003","11.6521","0.0005","12.9674","0.0005","65.0899","0.0012","83.9903","0.0015","89.3394","0.0018","1173.13","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br N4 O5 Re S -","- C20 H16 Br N4 O5 Re S -","- C40 H32 Br2 N8 O10 Re2 S2 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0353","0.0344","","","0.1029","0.1047","","","","","","1.146","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231112","7.0286","0.0003","7.2375","0.0003","21.0132","0.0009","93.789","0.003","96.875","0.002","116.45","0.003","941.55","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O2 S2 -","- C18 H20 N4 O2 S2 -","- C36 H40 N8 O4 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1158","0.0622","","","0.1508","0.185","","","","","","1.016","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231113","24.5508","0.0005","4.84793","0.00009","31.325","0.0006","90","","106.774","0.0009","90","","3569.69","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 S2 -","- C17 H16 N4 S2 -","- C136 H128 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0419","0.0376","","","0.1276","0.1417","","","","","","0.617","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231114","7.6843","0.0002","12.5075","0.0003","16.6105","0.0004","72.8951","0.0007","82.2567","0.0008","83.5158","0.001","1507.39","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","1","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.033","0.0293","","","0.0732","0.075","","","","","","1.078","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231115","15.0539","0.001","17.4103","0.0012","20.9041","0.0014","74.153","0.004","73.586","0.004","88.641","0.004","5047.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H33 N8 O6.5 Re2 S4 -","- C48 H30 N8 O6 Re2 S4 -","- C192 H120 N32 O24 Re8 S16 -","4","2","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1513","0.1087","","","0.282","0.3034","","","","","","1.106","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231116","9.8797","0.0009","15.051","0.0013","18.02","0.0017","90","","96.779","0.003","90","","2660.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl0 N8 O8 Re2 S2 -","- C50 H34 N8 O8 Re2 S2 -","- C100 H68 N16 O16 Re4 S4 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0569","0.0461","","","0.0827","0.0852","","","","","","1.212","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231117","10.5694","0.0007","14.1822","0.001","20.5737","0.0014","90","","98.892","0.003","90","","3046.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O8 Re2 S2 -","- C26 H24 N4 O8 Re2 S2 -","- C104 H96 N16 O32 Re8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0435","0.0394","","","0.1091","0.1146","","","","","","1.062","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231118","10.3658","0.0015","10.1221","0.0015","38.934","0.005","90","","94.518","0.006","90","","4072.4","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N8 O6 Re2 S4 -","- C38 H26 N8 O6 Re2 S4 -","- C152 H104 N32 O24 Re8 S16 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0374","0.0336","","","0.0948","0.0979","","","","","","1.002","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231121","12.0843","0.0006","19.092","0.0009","20.1439","0.001","90","","91.114","0.002","90","","4646.6","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H36 Co2 N8 O13 -","- C47 H36 Co2 N8 O13 -","- C188 H144 Co8 N32 O52 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.1127","0.0656","","","0.1122","0.1294","","","","","","1.09","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231122","13.2168","0.0005","13.4274","0.0005","13.7151","0.0005","74.321","0.001","70.086","0.001","61.743","0.001","1998.2","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H35 Cd2 N6 O12 -","- C44 H35 Cd2 N6 O12 -","- C88 H70 Cd4 N12 O24 -","2","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0398","0.0356","","","0.0966","0.0993","","","","","","1.064","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231123","13.928","0.005","22.935","0.008","21.219","0.006","90","","107.49","0.02","90","","6465","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140 H98 Mn5 N16 O46 -","- C140 H98 Mn5 N16 O46 -","- C280 H196 Mn10 N32 O92 -","2","0.5","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.107","0.0634","","","0.1741","0.2025","","","","","","1.032","","","","has coordinates,has disorder","228946","2020-10-21","18:00:00",""
"7231124","25.7978","0.0013","14.0191","0.0005","26.2388","0.0009","90","","114.875","0.003","90","","8609.2","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C164 H128 Cd8 N24 O54 -","- C164 H128 Cd8 N24 O54 -","- C328 H256 Cd16 N48 O108 -","2","0.25","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0827","0.0587","","","0.1533","0.1667","","","","","","1.041","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231125","11.051","0.0004","29.4197","0.0011","10.4787","0.0004","90","","97.215","0.001","90","","3379.8","0.2","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cd2 N4 O11 -","- C37 H26 Cd2 N4 O11 -","- C148 H104 Cd8 N16 O44 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0652","0.0398","","","0.0844","0.0927","","","","","","1.02","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231126","9.6","0.0004","9.86","0.0004","37.7277","0.0017","90","","90","","90","","3571.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br3 Dy N6 O8 -","- C30 H34 Br3 Dy N6 O8 -","- C120 H136 Br12 Dy4 N24 O32 -","4","1","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0654","0.0451","","","0.0504","0.0534","","","","","","1.085","","","","has coordinates","228924","2020-10-21","18:00:00",""
"7231127","18.0243","0.0008","10.3625","0.0004","20.7752","0.0009","90","","107.417","0.002","90","","3702.4","0.3","166","2","166","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cl2 Dy N7 O17 -","- C30 H30 Cl2 Dy N7 O17 -","- C120 H120 Cl8 Dy4 N28 O68 -","4","2","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0471","0.0535","","","","","","1.033","","","","has coordinates,has disorder","228924","2020-10-21","18:00:00",""
"7231128","6.866","0.004","23.629","0.015","10.181","0.006","90","","107.96","0.02","90","","1571.2","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl6 Cu N4 O0.5 Re -","- C8 H6 Cl6 Cu N4 O0.5 Re -","- C32 H24 Cl24 Cu4 N16 O2 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0422","0.0373","","","0.125","0.1287","","","","","","1.023","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231129","6.8596","0.0002","24.0998","0.0009","12.4418","0.0005","90","","102.665","0.002","90","","2006.77","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br2 Cl7 Cu N4 Re -","- C9 H7 Br2 Cl7 Cu N4 Re -","- C36 H28 Br8 Cl28 Cu4 N16 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0346","0.0312","","","0.0932","0.0948","","","","","","1.181","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231133","19.385","0.002","21.884","0.002","9.657","0.002","90","0","90","0","90","0","4096.7","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 N O5 -","- C50 H49 N O5 -","- C200 H196 N4 O20 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.066","","","","0.059","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231134","9.453","0.003","40.907","0.005","9.917","0.003","90","","91.57","0.02","90","","3833.4","1.7","248","","248","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H47 N O6 -","- C45 H47 N O6 -","- C180 H188 N4 O24 -","4","2","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","1.54184","CuKα","","0.049","0.041","","","","0.122","","","","","","1.05","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231135","5.51895","0.00007","15.5145","0.0002","22.2271","0.0003","90","","94.4499","0.0012","90","","1897.43","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43.95 B N5 O10 -","- C41 H43.95 B N5 O10 -","- C82 H87.9 B2 N10 O20 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1029","0.1045","","","","","","1.042","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231136","30.9663","0.0009","13.3119","0.0004","7.0955","0.0003","90","","93.965","0.003","90","","2917.91","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H32 B N5 O8 -","- C32 H32 B N5 O8 -","- C128 H128 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0485","0.0425","","","0.1147","0.117","","","","","","1.043","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231137","28.62","0.0011","5.25819","0.00014","28.609","0.0009","90","","113.834","0.004","90","","3938.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H42 B N5 O8 -","- C41 H42 B N5 O8 -","- C164 H168 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0396","0.0364","","","0.095","0.0972","","","","","","1.039","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231138","18.536","0.004","23.101","0.003","8.508","0.003","90","","90","","90","","3643.1","1.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H45 N O6 -","- C176 H180 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","0.186","0.06","","","","0.125","","","","","","1.07","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231139","18.496","0.004","23.466","0.004","8.523","0.005","90","","90","","90","","3699","2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H41.8 N O6 -","- C176 H167.2 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.113","","","","0.154","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231140","5.5624","0.00009","19.1848","0.0003","16.7363","0.0003","90","","95.1248","0.0015","90","","1778.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H42 B N5 O8 -","- C36.9999 H41.9997 B N5 O8 -","- C73.9998 H83.9994 B2 N10 O16 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0322","0.03","","","0.0702","0.0714","","","","","","1.011","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231141","8.4955","0.0014","27.439","0.004","16.401","0.002","90","","95.394","0.005","90","","3806.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.3528","0.1526","","","0.3991","0.5001","","","","","","1.096","","","","has coordinates,has disorder","228969","2020-10-21","18:00:00",""
"7231142","8.4607","0.001","27.278","0.003","16.4849","0.0019","90","","95.116","0.003","90","","3789.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.2795","0.104","","","0.2785","0.3753","","","","","","0.96","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231143","8.2378","0.0007","16.8515","0.001","27.139","0.002","90","","97.961","0.005","90","","3731.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.119","0.0628","","","0.1501","0.1994","","","","","","1.065","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231144","8.3729","0.0005","15.8749","0.001","27.9083","0.0016","90","","94.283","0.004","90","","3699.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(1-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.2174","0.0924","","","0.2383","0.3357","","","","","","0.936","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231145","22.4072","0.0006","8.3342","0.0003","12.0143","0.0004","90","","90.452","0.002","90","","2243.55","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C104 H92 N12 O20 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.048","0.0434","","","0.1222","0.1259","","","","","","1.112","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231146","12.212","0.005","14.092","0.005","16.78","0.006","90","","95.617","0.009","90","","2873.8","1.9","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H24 Co N4 O4 S -","- C25 H24 Co N4 O4 S -","- C100 H96 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.1463","0.0966","","","0.2684","0.3101","","","","","","1.073","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231147","11.3482","0.0004","18.4529","0.0007","14.3356","0.0005","90","","96.578","0.007","90","","2982.22","0.19","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Co N6 O7 S -","- C30 H27 Co N6 O7 S -","- C120 H108 Co4 N24 O28 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.70932","","","0.0736","0.0538","","","0.0985","0.1048","","","","","","1.121","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231148","11.5511","0.0006","8.067","0.0005","29.2049","0.0015","90","","99.972","0.003","90","","2680.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Co N6 O5 -","- C31 H24 Co N6 O5 -","- C124 H96 Co4 N24 O20 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0789","0.0743","","","0.2239","0.2332","","","","","","1.051","","","","has coordinates","229142","2020-10-21","18:00:00",""
"7231149","22.37","0.004","12.624","0.003","15.05","0.003","90","","125.507","0.002","90","","3459.8","1.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H28 Co N4 O4 S -","- C41 H28 Co N4 O4 S -","- C164 H112 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0557","0.0511","","","0.1424","0.1461","","","","","","1.09","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231150","7.4917","0.0003","10.1964","0.0005","10.7392","0.0005","87.751","0.002","88.834","0.002","83.063","0.002","813.62","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0227","0.0218","","","0.0585","0.0592","","","","","","1.031","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231151","7.5057","0.0003","10.1962","0.0004","10.7404","0.0004","87.714","0.001","88.893","0.002","83.112","0.002","815.29","0.05","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0232","0.022","","","0.0586","0.0593","","","","","","1.08","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231152","7.4983","0.0004","10.1975","0.0005","10.7404","0.0005","87.741","0.002","88.851","0.002","83.088","0.002","814.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0234","0.0222","","","0.0576","0.0584","","","","","","1.067","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231153","7.5903","0.0003","10.1829","0.0005","10.727","0.0005","87.424","0.002","89.206","0.002","83.038","0.002","822.13","0.06","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0253","0.0232","","","0.062","0.0632","","","","","","1.073","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231154","7.5714","0.0003","10.1868","0.0004","10.7325","0.0004","87.5","0.002","89.133","0.002","83.101","0.002","820.96","0.06","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0258","0.0238","","","0.0641","0.0654","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231155","7.6514","0.0004","10.1654","0.0005","10.7076","0.0005","87.165","0.002","89.37","0.002","82.714","0.002","825.09","0.07","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0287","0.0248","","","0.0667","0.07","","","","","","1.078","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231156","7.5146","0.0003","10.1954","0.0005","10.7392","0.0005","87.694","0.002","88.929","0.002","83.133","0.002","816.13","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0236","0.0222","","","0.0593","0.0602","","","","","","1.074","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231157","7.6329","0.0003","10.1735","0.0005","10.7153","0.0004","87.25","0.002","89.324","0.002","82.838","0.002","824.62","0.06","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0271","0.0243","","","0.0665","0.0681","","","","","","1.129","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231158","7.6121","0.0004","10.1784","0.0005","10.7213","0.0005","87.353","0.002","89.26","0.002","82.962","0.002","823.51","0.07","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0259","0.0235","","","0.0649","0.0664","","","","","","1.089","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231159","7.5387","0.0003","10.1927","0.0004","10.7387","0.0004","87.619","0.001","89.025","0.002","83.164","0.002","818.52","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0244","0.0227","","","0.061","0.062","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231160","7.5253","0.0003","10.195","0.0005","10.7396","0.0005","87.661","0.002","88.969","0.002","83.149","0.002","817.31","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0241","0.0226","","","0.0606","0.0613","","","","","","1.07","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231161","7.5544","0.0004","10.1904","0.0005","10.7369","0.0005","87.569","0.002","89.073","0.002","83.151","0.002","819.86","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.025","0.0233","","","0.0629","0.0638","","","","","","1.086","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231174","11.31549","0.00016","9.66903","0.00015","9.86401","0.00015","90","","96.4687","0.0013","90","","1072.35","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","0.5","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","","1.54187","CuKα","","0.0528","0.0497","","","0.1383","0.1424","","","","","","1.07","","","","has coordinates","229115","2020-10-21","18:00:00",""
"7231175","9.7334","0.0002","9.9244","0.0002","12.491","0.0003","89.585","0.002","69.561","0.002","67.774","0.002","1035.74","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","1","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","x-ray","1.54184","CuKα","","0.045","0.0417","","","0.1185","0.1215","","","","","","1.059","","","","has coordinates,has disorder","229115","2020-10-21","18:00:00",""
"7231176","10.986","0.0004","21.7326","0.0007","8.8856","0.0004","90","","108.941","0.004","90","","2006.6","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N14 O4 Pb2 -","- C38 H34 N14 O4 Pb2 -","- C76 H68 N28 O8 Pb4 -","2","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","1.5418","CuKα","","0.0854","0.0721","","","0.1757","0.1875","","","","","","0.999","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231177","9.2807","0.0013","10.2962","0.0015","10.9703","0.0013","103.736","0.002","105.229","0.003","102.2","0.002","939.7","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br N4 O2 Pb -","- C18 H15 Br N4 O2 Pb -","- C36 H30 Br2 N8 O4 Pb2 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.033","0.0294","","","0.067","0.0703","","","","","","1.145","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231178","9.7763","0.0006","11.3341","0.0007","15.058","0.001","105.607","0.007","91.747","0.006","101.222","0.006","1570.19","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","1","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0577","0.0509","","","0.1336","0.1367","","","","","","1.003","","","","has coordinates,has disorder","229140","2020-10-21","18:00:00",""
"7231179","9.0368","0.0007","11.3777","0.001","7.6503","0.0006","90","","112.279","0.004","90","","727.87","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 N6 Pb S3 -","- C10 H10 N6 Pb S3 -","- C20 H20 N12 Pb2 S6 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","x-ray","0.7107","MoKα","","0.0229","0.0217","","","0.0461","0.0467","","","","","","1.05","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231180","10.3837","0.0002","11.5738","0.0003","14.337","0.0003","95.216","0.001","90.12","0.001","113.736","0.001","1569.31","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 N8 O3 Pb S2 -","- C29 H24 N8 O3 Pb S2 -","- C58 H48 N16 O6 Pb2 S4 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0569","0.0388","","","0.0823","0.09","","","","","","1.025","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231181","9.3083","0.0002","10.4819","0.0002","22.1487","0.0004","90","","96.098","0.002","90","","2148.79","0.07","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Co1.5 N3 O7 -","- C19 H12 Co1.5 N3 O7 -","- C76 H48 Co6 N12 O28 -","4","1","","Zhou, Wei; Wu, Ya-Pan; Wang, Xiao; Tian, Jun-Wu; Huang, Dan-Dan; Zhao, Jun; Lan, Ya-Qian; Li, Dong-Sheng","Improved conductivity of a new Co(ii)-MOF by assembled acetylene black for efficient hydrogen evolution reaction","CrystEngComm","2018","20","33","4804","","10.1039/C8CE00921J","","x-ray","1.54184","CuKα","","0.067","0.0612","","","0.162","0.1668","","","","","","1.057","","","","has coordinates","228949","2020-10-21","18:00:00",""
"7231182","26.906","0.004","7.5367","0.0009","17.21","0.002","90","","92.375","0.004","90","","3486.9","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cd N6 O12 -","- C38 H24 Cd N6 O12 -","- C152 H96 Cd4 N24 O48 -","4","0.5","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0742","0.044","","","0.0873","0.0975","","","","","","0.99","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231183","7.8706","0.001","10.2356","0.0013","19.467","0.003","90.351","0.002","94.25","0.002","111.416","0.002","1455","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H15 Cd N6 O10 -","- C31 H15 Cd N6 O10 -","- C62 H30 Cd2 N12 O20 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.029","0.0263","","","0.0697","0.0709","","","","","","1.061","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231184","10.1261","0.0007","13.8772","0.0009","14.7762","0.001","88.202","0.001","72.861","0.001","71.667","0.001","1879.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Cd N7 O11 -","- C37 H24 Cd N7 O11 -","- C74 H48 Cd2 N14 O22 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0412","0.0362","","","0.1005","0.1031","","","","","","1.031","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231197","7.5242","0.0003","7.9258","0.0003","19.5829","0.0008","90","","90","","90","","1167.83","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0332","0.0291","","","0.0682","0.0699","","","","","","1.054","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231198","7.5194","0.0003","7.9248","0.0003","19.5768","0.0008","90","","90","","90","","1166.58","0.08","293","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0185","0.0169","","","0.0352","0.0356","","","","","","1.032","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231199","7.45","0.002","27.279","0.005","27.574","0.005","82.32","0.02","88.01","0.02","89.19","0.02","5550","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H29 N O11 P3 -","- C8 H29 N O11 P3 -","- C96 H348 N12 O132 P36 -","12","6","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0697","0.0562","","","0.1748","0.2005","","","","","","1.031","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231200","20.084","0.006","14.699","0.004","16.117","0.005","90","","108.06","0.03","90","","4524","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N O7.5 P2.5 -","- C16 H40 N O7.5 P2.5 -","- C128 H320 N8 O60 P20 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0645","0.0421","","","0.0919","0.1018","","","","","","1.039","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231201","14.764","0.003","17.203","0.004","19.266","0.005","73.32","0.03","88.05","0.02","89.94","0.02","4684","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41.05 N O8.02 P2.5 -","- C16 H41 N O8.029 P2.5 -","- C128 H328 N8 O64.232 P20 -","8","4","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0889","0.0547","","","0.1148","0.1299","","","","","","1.017","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231202","7.582","0.003","8.718","0.003","12.892","0.004","75.28","0.03","80.42","0.03","70.98","0.03","775.9","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Cl N O6 P -","- C8 H28 Cl N O6 P -","- C16 H56 Cl2 N2 O12 P2 -","2","1","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0597","0.0524","","","0.1428","0.1498","","","","","","1.069","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231203","8.898","0.002","8.964","0.002","9.226","0.003","78.96","0.02","66.16","0.03","79.15","0.02","655.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","1","0.5","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0557","0.0492","","","0.1325","0.1398","","","","","","1.065","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231204","10.781","0.002","15.964","0.003","31.201","0.006","90","","99.6","0.02","90","","5294.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H42 N O10.5 P3.5 -","- C16 H42 N O10.5 P3.5 -","- C128 H336 N8 O84 P28 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0992","0.0597","","","0.131","0.1504","","","","","","1.006","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231205","7.43953","0.00014","20.7625","0.0004","8.8754","0.00015","90","","102.766","0.0018","90","","1337.03","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0477","0.0423","","","0.1195","0.1252","","","","","","1.072","","","","has coordinates","229084","2020-10-21","18:00:00",""
"7231206","25.1697","0.0004","7.1655","0.0001","16.6823","0.0002","90","","90","","90","","3008.71","0.07","296","1","296","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C27 H19 Co N O5.5 -","- C27 H19 Co N O5.5 -","- C108 H76 Co4 N4 O22 -","4","0.25","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0591","0.0535","","","0.1631","0.1712","","","","","","1.07","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231207","16.59874","0.00019","7.14697","0.00012","50.2201","0.0008","90","","90","","90","","5957.65","0.15","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H38 Mg2 N2 O10 -","- C54 H38 Mg2 N2 O10 -","- C216 H152 Mg8 N8 O40 -","4","0.5","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0819","0.0772","","","0.2424","0.2474","","","","","","1.064","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231210","10.8799","0.0006","13.3677","0.0007","13.9345","0.0008","62.953","0.003","68.018","0.003","82.371","0.003","1672.04","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-bromophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C32 H38 Br2 N4 O4 -","- C32 H38 Br2 N4 O4 -","- C64 H76 Br4 N8 O8 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.124","0.0553","","","0.1291","0.1531","","","","","","1.034","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231211","26.04","0.003","9.0972","0.0011","13.8867","0.0019","90","","91.957","0.01","90","","3287.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazole-Br","'ethyl 1 tert-butyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C128 H152 Br8 N16 O16 -","8","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0335","0.0319","","","0.0843","0.0855","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231212","9.077","0.002","6.9098","0.0015","13.708","0.002","90","","107.735","0.007","90","","818.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,5-pirazole-Cl","'ethyl 1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","0.5","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0681","0.0443","","","0.1127","0.1257","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231213","8.0704","0.0009","10.6122","0.0013","17.698","0.004","90","","93.13","0.011","90","","1513.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Ph-pyrazole","'ethyl-5-(phenyl)-1-(t-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","1.54178","CuKα","","0.077","0.0725","","","0.1928","0.1967","","","","","","1.052","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231214","6.9381","0.0007","18.463","0.003","12.6","0.002","90","","103.702","0.01","90","","1568.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrazole 1,3 F","'ethyl 1-(t-butil)-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C64 H76 F4 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0516","0.0438","","","0.1194","0.1264","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231215","8.5662","0.0003","8.9965","0.0003","10.0893","0.0004","92.86","0.002","100.776","0.002","91.266","0.002","762.49","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 1 tert-butyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C32 H38 F2 N4 O4 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0474","0.0394","","","0.126","0.143","","","","","","0.636","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231216","10.9637","0.0005","13.2546","0.0006","13.9344","0.0006","62.661","0.002","67.366","0.002","81.873","0.003","1658.68","0.13","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-clorophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","0.71073","MoKα","","0.1641","0.0707","","","0.1897","0.2439","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231217","8.9","0.005","8.307","0.004","19.352","0.011","90","","91.44","0.02","90","","1430.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pirazol-1,5-Ph","'ethyl 3-(phenyl)-1-(t-butyl)1H-pyrazole-5-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0557","0.0417","","","0.0993","0.1061","","","","","","1.04","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231226","23.9553","0.0012","13.6376","0.0007","18.6167","0.001","90","","111.831","0.002","90","","5645.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 La2 N4 O15 -","- C66 H40 La2 N4 O15 -","- C264 H160 La8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0721","0.0385","","","0.0671","0.0794","","","","","","1.059","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231227","13.0373","0.0012","22.5614","0.0019","19.432","0.0017","90","","90.949","0.001","90","","5714.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Eu2 N4 O15 -","- C66 H40 Eu2 N4 O15 -","- C264 H160 Eu8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0833","0.0409","","","0.0543","0.0613","","","","","","0.869","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231228","13.0186","0.0011","22.5402","0.0018","19.4272","0.0016","90","","90.845","0.003","90","","5700.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 N4 O15 Tb2 -","- C66 H40 N4 O15 Tb2 -","- C264 H160 N16 O60 Tb8 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0703","0.0379","","","0.0722","0.0875","","","","","","1.04","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231229","13.0264","0.0006","22.5481","0.0009","19.4308","0.0008","90","","90.919","0.002","90","","5706.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Gd2 N4 O15 -","- C66 H40 Gd2 N4 O15 -","- C264 H160 Gd8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0666","0.0379","","","0.0795","0.0945","","","","","","1.02","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231232","7.8831","0.0004","14.6869","0.0008","14.5239","0.0008","102.504","0.002","100.89","0.002","92.406","0.002","1606.07","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Co N4 O4 -","- C36 H26 Cl4 Co N4 O4 -","- C72 H52 Cl8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0559","0.0397","","","0.0945","0.1036","","","","","","1.034","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231233","7.3112","0.0007","7.7033","0.0007","13.0401","0.0012","79.183","0.003","86.649","0.003","88.692","0.003","720.09","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0478","0.0338","","","0.0795","0.085","","","","","","1.069","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231234","7.8598","0.0004","14.7496","0.0009","14.7874","0.0008","102.704","0.002","101.054","0.002","93.104","0.002","1632.97","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Hg N4 O4 -","- C36 H26 Cl4 Hg N4 O4 -","- C72 H52 Cl8 Hg2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0553","0.0485","","","0.101","0.1047","","","","","","1.047","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231235","7.9049","0.001","14.7046","0.0018","14.5448","0.0019","102.479","0.006","100.932","0.006","92.276","0.006","1615","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 N4 O4 Zn -","- C36 H26 Cl4 N4 O4 Zn -","- C72 H52 Cl8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.09","0.0717","","","0.1704","0.1786","","","","","","1.101","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231236","7.933","0.002","14.728","0.004","14.966","0.005","102.65","0.01","100.863","0.009","93.145","0.009","1667.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Co N4 O4 -","- C36 H26 Br4 Co N4 O4 -","- C72 H52 Br8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.082","0.0458","","","0.1176","0.1303","","","","","","1.029","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231237","7.766","0.0006","55.312","0.004","7.4689","0.0005","90","","91.983","0.002","90","","3206.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 Cu N4 O4 -","- C36 H26 Cl4 Cu N4 O4 -","- C144 H104 Cl16 Cu4 N16 O16 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0919","0.0696","","","0.121","0.1264","","","","","","1.263","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231238","13.5398","0.0016","7.7569","0.0009","15.201","0.0017","90","","112.641","0.003","90","","1473.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0233","0.0208","","","0.0542","0.0554","","","","","","1.043","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231239","7.8678","0.0007","14.7568","0.0013","14.8082","0.0013","102.75","0.004","100.866","0.004","93.071","0.004","1638.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cd Cl4 N4 O4 -","- C36 H26 Cd Cl4 N4 O4 -","- C72 H52 Cd2 Cl8 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.062","0.0363","","","0.0692","0.0767","","","","","","1.025","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231240","7.67","0.0004","7.6942","0.0005","28.269","0.0019","87.564","0.003","89.895","0.002","89.559","0.002","1666.72","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Cu N4 O4 -","- C36 H26 Br4 Cu N4 O4 -","- C72 H52 Br8 Cu2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0717","0.055","","","0.131","0.1372","","","","","","1.06","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231241","7.9152","0.0003","14.7377","0.0006","14.9796","0.0006","102.541","0.001","100.913","0.001","93.439","0.001","1665.52","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 N4 O4 Zn -","- C36 H26 Br4 N4 O4 Zn -","- C72 H52 Br8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0364","0.0299","","","0.0776","0.0814","","","","","","1.062","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231245","12.509","0.003","13.689","0.003","14.613","0.003","94.72","0.03","115.28","0.03","114.86","0.03","1945.6","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C72 H75 Cl8 Cu4 N12 O13.5 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.63","synchrotron","","0.1008","0.0644","","","0.17","0.191","","","","","","1.178","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231246","9.263","0.003","11.838","0.004","17.404","0.006","85.27","0.012","89.651","0.012","86.12","0.012","1897.6","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl4 Cu2 N6 O2 -","- C38 H32 Cl4 Cu2 N6 O2 -","- C76 H64 Cl8 Cu4 N12 O4 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0955","0.0726","","","0.1798","0.1939","","","","","","1.214","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231247","9.081","0.005","10.926","0.006","12.055","0.007","113.957","0.018","111.576","0.017","91.514","0.016","994.5","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","1","0.5","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0755","0.058","","","0.1398","0.1506","","","","","","1.048","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231248","8.9606","0.0005","20.9052","0.0013","20.0946","0.001","90","","91.24","0.002","90","","3763.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C156 H124 Cl16 Cu8 N28 O4 -","8","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.056","0.0372","","","0.0659","0.0722","","","","","","1.07","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231249","10.2461","0.0001","14.3724","0.0002","29.2362","0.0004","81.57","0.002","88.939","0.001","82.321","0.003","4220.64","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0529","0.0307","","","0.0558","0.0621","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231250","10.2483","0.0007","14.4377","0.0009","29.0278","0.0019","81.977","0.002","89.188","0.001","82.246","0.002","4214","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0521","0.0322","","","0.0575","0.0627","","","","","","1.039","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231251","10.234","0.0009","14.4042","0.0018","29.053","0.003","81.864","0.002","89.103","0.001","82.241","0.001","4200.8","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0489","0.0299","","","0.0603","0.0665","","","","","","1.025","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231252","10.668","0.002","20.152","0.004","23.297","0.005","109.308","0.003","101.972","0.003","93.617","0.003","4576.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H65 N13 O28 S5 U5 -","- C85 H65 N13 O28 S5 U5 -","- C170 H130 N26 O56 S10 U10 -","2","1","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.1064","0.0824","","","0.1996","0.2082","","","","","","1.213","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231253","10.2255","0.0003","14.405","0.0003","29.0078","0.0007","81.949","0.001","89.133","0.003","82.242","0.002","4191.93","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0557","0.0313","","","0.0595","0.0664","","","","","","1.02","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231254","10.2491","0.0003","14.3958","0.0005","29.1628","0.001","81.715","0.001","89.029","0.002","82.284","0.001","4219.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0632","0.0341","","","0.063","0.0717","","","","","","0.998","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231255","10.2216","0.0008","14.4037","0.0011","29.008","0.002","81.961","0.002","89.146","0.001","82.246","0.001","4190.1","0.5","293","2","293","3","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0522","0.0317","","","0.0651","0.0714","","","","","","1.017","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231256","10.407","0.008","14.594","0.011","29.68","0.02","81.683","0.012","88.909","0.014","82.39","0.011","4421","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0437","0.0314","","","0.0718","0.0771","","","","","","1.065","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231257","10.2461","0.0003","14.4076","0.0005","29.1376","0.001","81.788","0.001","89.038","0.001","82.266","0.001","4218.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0546","0.0319","","","0.0584","0.0639","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231258","10.2447","0.0003","14.4393","0.0005","28.987","0.0009","82.023","0.002","89.223","0.001","82.245","0.002","4207.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0401","0.0252","","","0.0499","0.0534","","","","","","1.003","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231259","5.4363","0.0007","10.3418","0.0013","11.8349","0.0017","90","","99.739","0.005","90","","655.78","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0592","0.0422","","","0.0814","0.0875","","","","","","1.034","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231260","5.4205","0.0007","10.3464","0.0013","11.5006","0.0015","90","","99.5","0.004","90","","636.14","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6.47 H7.93 Li0.5 N0.5 O2.47 -","- C6.4665 H7.933 Li0.5 N0.5 O2.4665 -","- C25.866 H31.732 Li2 N2 O9.866 -","4","2","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0503","0.04","","","0.0767","0.0787","","","","","","1.073","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231261","10.1119","0.0018","10.5584","0.0019","11.746","0.002","90","","90","","90","","1254.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.108","0.0664","","","0.1352","0.1516","","","","","","1.063","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231262","10.0666","0.0009","10.5869","0.0008","11.7836","0.0008","90","","90","","90","","1255.83","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8.05 H9.44 Li0.67 N0.67 O2.72 -","- C8.06 H9.45333 Li0.666667 N0.666667 O2.72667 -","- C48.36 H56.72 Li4 N4 O16.36 -","6","1.5","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0497","0.0483","","","0.1282","0.1293","","","","","","1.154","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231263","5.417","0.0003","10.359","0.0006","11.4916","0.0006","90","","99.552","0.001","90","","635.91","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.02","0.0192","","","0.0479","0.0484","","","","","","1.102","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231264","10.0679","0.0005","10.5702","0.0006","11.7537","0.0007","90","","90","","90","","1250.83","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0476","0.045","","","0.1234","0.1268","","","","","","1.114","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231265","9.596","0.007","10.606","0.008","13.967","0.01","76.205","0.009","84.844","0.009","84.742","0.009","1371.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O10 -","- C28 H22 N2 Ni O10 -","- C56 H44 N4 Ni2 O20 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1031","0.0662","","","0.1756","0.1979","","","","","","1.096","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231266","13.498","0.003","15.706","0.004","15.066","0.004","90","","110.796","0.003","90","","2985.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ni O10 -","- C28 H22 N2 Ni O9 -","- C112 H88 N8 Ni4 O36 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1136","0.0857","","","0.2897","0.3175","","","","","","1.181","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231267","10.173","0.006","13.321","0.007","13.327","0.007","72.941","0.005","83.845","0.006","81.978","0.006","1705.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 N3 Ni1.5 O11 -","- C34 H27 N3 Ni1.5 O11 -","- C68 H54 N6 Ni3 O22 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.0702","0.048","","","0.1261","0.1432","","","","","","1.055","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231268","15.224","0.006","11.113","0.004","19.333","0.007","90","","108.501","0.005","90","","3102","2","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 N2 Ni2 O11 -","- C28 H21 N2 Ni2 O11 -","- C112 H84 N8 Ni8 O44 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1225","0.066","","","0.1896","0.223","","","","","","1.025","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231269","7.372","0.0015","14.623","0.003","28.356","0.009","90","","90","","90","","3056.8","1.3","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co N4 O8 -","- C30 H32 Co N4 O8 -","- C120 H128 Co4 N16 O32 -","4","1","","Yu, Fan","A highly efficient heterogeneous catalyst of cobalt-based coordination polymers for aerobic epoxidation of cyclohexene","CrystEngComm","2018","20","34","5074","","10.1039/C8CE00899J","","","0.71073","MoKα","","0.052","0.0483","","","0.1076","0.1096","","","","","","1.123","","","","has coordinates","229143","2020-10-21","18:00:00",""
"7231272","14.577","0.0005","14.577","0.0005","14.577","0.0005","90","","90","","90","","3097.45","0.18","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C3 Ca Na4 O9 -","- C3 Ca0.9997 Na4.0003 O9 -","- C48 Ca15.9952 Na64.0048 O144 -","16","0.166667","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Arefiev, Anton V.; Seryotkin, Yurii V.; Litasov, Konstantin D.","Na4Ca(CO3)3: a novel carbonate analog of borate optical materials","CrystEngComm","2018","20","35","5228","","10.1039/C8CE00745D","","x-ray","0.71073","MoKα","","0.0671","0.0462","","","0.0927","0.0965","","","","2.87","2.87","2.54","","","","has coordinates","229126","2020-10-21","18:00:00",""
"7231273","24.1738","0.0004","9.45562","0.00019","17.836","0.0003","90","","90","","90","","4076.92","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F3 I3 N2 O -","- C18 H10 F3 I3 N2 O -","- C144 H80 F24 I24 N16 O8 -","8","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0351","0.0247","","","0.0501","0.0539","","","","","","1.039","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231274","5.3298","0.0005","5.9839","0.0004","15.276","0.002","90.196","0.008","93.824","0.009","100.428","0.007","478.02","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","1","0.5","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0621","0.0448","","","0.0896","0.1016","","","","","","0.994","","","","has coordinates,has disorder","229119","2020-10-21","18:00:00",""
"7231275","4.1899","0.0003","29.106","0.002","24.6798","0.0018","90","","92.834","0.007","90","","3006.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F3 I3 N4 O2 -","- C30 H20 F3 I3 N4 O2 -","- C120 H80 F12 I12 N16 O8 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","x-ray","0.71073","MoKα","","0.0669","0.0465","","","0.0742","0.081","","","","","","1.118","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231276","7.2968","0.0005","15.2068","0.0012","19.3646","0.0015","110.783","0.007","91.701","0.006","100.999","0.006","1960.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","1,2,3,5-tetrafluoro-4,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,2,3,5-tetrafluoro-4,6-diiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F4 I2 N2 O -","- C18 H10 F4 I2 N2 O -","- C72 H40 F16 I8 N8 O4 -","4","2","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0481","0.0323","","","0.0638","0.072","","","","","","1.019","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231277","15.3516","0.0005","5.75781","0.00016","16.8675","0.0006","90","","105.671","0.003","90","","1435.52","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrafluoro-3,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:2 cocrystal","1,2,4,5-tetrafluoro-3,6-diiodobenzene; bis(2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol)","","- C15 H10 F2 I N2 O -","- C15 H10 F2 I N2 O -","- C60 H40 F8 I4 N8 O4 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0433","0.0299","","","0.0622","0.068","","","","","","1.033","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231278","15.1118","0.0004","15.4367","0.0005","40.6572","0.0013","90","","95.516","0.003","90","","9440.4","0.5","173","0.14","173","0.14","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H41 O16.5 Si3 -","- C46 H40 O16.5 Si3 -","- C368 H320 O132 Si24 -","8","2","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","1.54184","CuKα","","0.1005","0.0761","","","0.2181","0.2439","","","","","","1.039","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231279","18.9725","0.0006","19.7061","0.0005","25.3721","0.0005","90","","98.476","0.002","90","","9382.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H100 Mn3 N10 O24 Si3 -","- C74 H100 Mn3 N10 O24 Si3 -","- C296 H400 Mn12 N40 O96 Si12 -","4","0.5","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","0.71075","MoKα","K-L~3~","0.1112","0.0833","","","0.2471","0.2836","","","","","","1.078","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231280","32.1888","0.0009","13.9804","0.0003","30.8839","0.0008","90","","95.684","0.003","90","","13829.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.25 H67.25 N4.75 O19.75 Si3 Zn3 -","- C46 H33 O16 Si3 Zn3 -","- C368 H264 O128 Si24 Zn24 -","8","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","","1.54184","CuKα","","0.0558","0.0471","","","0.1332","0.1406","","","","","","1.062","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231282","10.557","0.002","17.598","0.004","12.593","0.003","90","","103.25","0.03","90","","2277.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.72","synchrotron","","0.0781","0.0644","","","0.1677","0.1748","","","","","","1.053","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231283","9.915","0.003","10.052","0.003","25.117","0.007","99.939","0.01","96.406","0.01","97.933","0.01","2418.5","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Mn2 N8 O15 -","- C54 H38 Mn2 N8 O15 -","- C108 H76 Mn4 N16 O30 -","2","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.1667","0.0623","","","0.1131","0.1478","","","","","","1.002","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231284","12.39","0.003","16.177","0.003","13.367","0.006","90","","120.16","0.02","90","","2316.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O9 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71","synchrotron","","0.0804","0.0762","","","0.2339","0.2364","","","","","","1.068","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231285","11.8697","0.0009","11.566","0.0009","16.8792","0.0013","90","","101.036","0.003","90","","2274.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O8 Zn -","- C27 H18 N2 O8 Zn -","- C108 H72 N8 O32 Zn4 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.0795","0.0483","","","0.1422","0.1601","","","","","","1.022","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231286","18.1925","0.0005","40.2091","0.0013","9.548","0.0003","90","","90","","90","","6984.4","0.4","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H73 Co3 N14 O20 -","- C58 H73 Co3 N14 O20 -","- C232 H292 Co12 N56 O80 -","4","0.5","","Gao, Xiang; Zhang, Shan-Shan; Yan, Hui; Li, Yun-Wu; Liu, Qing-Yun; Wang, Xing-Po; Tung, Chen-Ho; Ma, Hui-Yan; Sun, Di","A pillar-layered porous CoII-MOF with dual active sites for selective gas adsorption","CrystEngComm","2018","20","34","4905","","10.1039/C8CE01118D","","x-ray","1.54184","CuKα","","0.0847","0.0684","","","0.1865","0.2033","","","","","","1.046","","","","has coordinates,has disorder","229138","2020-10-21","18:00:00",""
"7231287","31.3723","0.0017","5.5593","0.0005","23.8849","0.0014","90","","101.048","0.006","90","","4088.5","0.5","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C43 H51 N6 O3.5 -","- C43 H51 N6 O3.5 -","- C172 H204 N24 O14 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1302","0.1033","","","0.2555","0.293","","","","","","1.007","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231288","6.0032","0.0001","30.9388","0.0003","33.6555","0.0002","90","","90","","90","","6250.9","0.13","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 Cl6 N6 O6 -","- C68 H56 Cl6 N6 O6 -","- C272 H224 Cl24 N24 O24 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0484","0.047","","","0.1246","0.1263","","","","","","1.054","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231289","5.7811","0.0003","15.3719","0.0009","23.4378","0.0008","102.629","0.004","90.481","0.003","95.883","0.004","2020.72","0.18","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C84 H96 N12 O6 -","2","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1063","0.0683","","","0.1605","0.1827","","","","","","0.986","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231290","9.8047","0.0001","43.1344","0.0004","19.4077","0.0002","90","","92.935","0.001","90","","8197.14","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.4 H48.4 Cl1.2 N6 O3 -","- C42.4 H48.4 Cl1.2 N6 O3 -","- C339.2 H387.2 Cl9.6 N48 O24 -","8","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0586","0.0579","","","0.147","0.1475","","","","","","1.072","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231291","4.2455","0.0015","46.493","0.015","8.218","0.002","90","","93.584","0.008","90","","1618.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0694","0.0474","","","0.0997","0.1087","","","","","","1.054","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231292","4.362","0.003","51.35","0.04","8.268","0.005","90","","93.56","0.02","90","","1848","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1659","0.066","","","0.1205","0.1481","","","","","","1.019","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231293","4.2498","0.0017","8.217","0.003","24.826","0.007","97.903","0.009","93.317","0.009","93.732","0.008","854.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.115","0.0574","","","0.1105","0.1298","","","","","","1.031","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231294","4.3773","0.0018","46.183","0.015","8.215","0.003","90","","93.759","0.006","90","","1657.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0903","0.0512","","","0.1107","0.1267","","","","","","1.028","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231295","4.3797","0.0017","8.22","0.003","24.683","0.008","98.313","0.013","93.051","0.008","93.777","0.006","875.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1438","0.0608","","","0.1136","0.143","","","","","","1.006","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231296","4.2348","0.0019","51.591","0.019","8.261","0.003","90","","93.622","0.011","90","","1801.2","1.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1554","0.0837","","","0.1418","0.1628","","","","","","1.109","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231297","8.395","0.003","8.853","0.003","23.938","0.009","89.528","0.011","80.712","0.014","62.6","0.02","1554.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0971","0.0551","","","0.1154","0.1333","","","","","","1.01","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231298","4.1696","0.0015","46.595","0.014","8.214","0.003","90","","93.529","0.01","90","","1592.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0655","0.0458","","","0.0959","0.1043","","","","","","1.059","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231299","4.168","0.0014","8.217","0.003","24.901","0.007","97.81","0.01","93.453","0.007","93.834","0.006","840.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0972","0.0536","","","0.1049","0.1199","","","","","","1.018","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231300","4.154","0.002","51.72","0.02","8.253","0.003","90","","93.663","0.012","90","","1769.5","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0933","0.0551","","","0.1056","0.1178","","","","","","1.062","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231303","35.286","0.009","35.286","0.009","35.286","0.009","90","","90","","90","","43935","19","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.08 Se1.56 -","- C18 H6 Hf6 O33.08 Se1.56 -","- C288 H96 Hf96 O529.28 Se24.96 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0994","0.0636","","","0.152","0.1722","","","","","","0.944","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231304","35.0872","0.0011","35.0872","0.0011","35.0872","0.0011","90","","90","","90","","43196","2","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.16 Se1.44 -","- C18 H6 Hf6 O34.16 Se1.44 -","- C288 H96 Hf96 O546.56 Se23.04 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0409","0.0363","","","0.111","0.1134","","","","","","1.125","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231305","7.2851","0.0014","9.0281","0.0017","38.51","0.007","90","","95.23","0.003","90","","2522.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Indapamide-4,4'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-pyridin-4-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0477","0.042","","","0.1073","0.1109","","","","","","1.087","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231306","7.3151","0.0002","8.937","0.0003","38.9526","0.0012","90","","93.702","0.002","90","","2541.21","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-2,2'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-2-pyridin-2-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1741","0.0798","","","0.1289","0.1536","","","","","","1.089","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231307","7.765","0.007","8.741","0.008","34.52","0.03","90","","93.96","0.04","90","","2337","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-methylpyridone cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-6-methyl-2-pyridone","","- C22 H23 Cl N4 O4 S -","- C22 H23 Cl N4 O4 S -","- C88 H92 Cl4 N16 O16 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0785","0.0606","","","0.1354","0.1436","","","","","","1.102","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231308","7.1759","0.0003","9.4074","0.0004","39.0523","0.0017","90","","93.389","0.002","90","","2631.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-Phenazine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-phenazine","","- C28 H24 Cl N5 O3 S -","- C28 H24 Cl N5 O3 S -","- C112 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0583","0.0531","","","0.1255","0.1282","","","","","","1.14","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231309","12.2238","0.0002","14.8267","0.0003","16.2328","0.0003","93.228","0.001","107.264","0.001","90.122","0.001","2804.46","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Indapamide-1,2-Bis(4-pyridyl)ethylene cocrystal monohydrate","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-[(E)-2-pyridin-4-ylethenyl]pyridine-hydrate","","- C28 H28 Cl N5 O4 S -","- C28 H28 Cl N5 O4 S -","- C112 H112 Cl4 N20 O16 S4 -","4","2","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1217","0.0717","","","0.1596","0.1793","","","","","","1.103","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231310","29.9695","0.0015","8.1566","0.0005","12.1516","0.0007","90","","90.466","0.005","90","","2970.4","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O8 -","- C36 H32 N2 O8 -","- C144 H128 N8 O32 -","4","0.5","","Chen, Shaojin; Liu, Wei; Ge, Zhaohai; Zhang, Wenxuan; Wang, Kun-Peng; Hu, Zhi-Qiang","Dimethylamine substituted bisbenzocoumarins: solvatochromic, mechanochromic and acidochromic properties","CrystEngComm","2018","20","36","5432","","10.1039/C8CE01034J","","x-ray","1.54184","CuKα","","0.0909","0.0743","","","0.2221","0.2329","","","","","","1.023","","","","has coordinates","229121","2020-10-21","18:00:00",""
"7231324","14.014","0.003","14.014","0.003","6.5964","0.0012","90","","90","","120","","1121.9","0.4","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1308","0.0839","","","0.2217","0.2382","","","","","","0.968","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231325","7.1163","0.0006","11.996","0.0011","14.4685","0.0013","90","","97.492","0.001","90","","1224.59","0.19","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0723","0.058","","","0.1449","0.1566","","","","","","1.08","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231326","14.3565","0.0005","14.3565","0.0005","6.5749","0.0002","90","","90","","120","","1173.59","0.07","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0528","0.0497","","","0.1347","0.1365","","","","","","1.104","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231327","14.205","0.004","14.205","0.004","6.6233","0.0018","90","","90","","120","","1157.4","0.6","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1262","0.0718","","","0.1622","0.1868","","","","","","0.943","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231328","6.9574","0.001","12.3167","0.0017","14.993","0.002","90","","97.665","0.002","90","","1273.3","0.3","340","2","340","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1157","0.0646","","","0.1974","0.2429","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231329","7.1268","0.0007","11.9819","0.0011","14.4375","0.0013","90","","97.432","0.001","90","","1222.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0755","0.0614","","","0.1452","0.1564","","","","","","1.056","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231330","6.9814","0.0012","12.218","0.002","14.914","0.003","90","","97.532","0.003","90","","1261.2","0.4","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0967","0.0598","","","0.1767","0.2077","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231331","7.1352","0.0006","11.9641","0.001","14.4049","0.0012","90","","97.366","0.001","90","","1219.54","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0775","0.0666","","","0.1593","0.1682","","","","","","1.065","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231332","6.967","0.0014","12.261","0.002","14.96","0.003","90","","97.58","0.003","90","","1266.8","0.4","320","2","320","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1051","0.0618","","","0.1915","0.2282","","","","","","1.078","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231333","7.112","0.0006","12.0123","0.0011","14.5","0.0013","90","","97.558","0.001","90","","1227.99","0.19","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0727","0.0571","","","0.1457","0.1608","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231334","14.25","0.007","14.25","0.007","6.62","0.007","90","","90","","120","","1164.2","1.5","173","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10.5 H13.5 N0 O1.5 -","- C10.5 H13.5 O1.5 -","- C42 H54 O6 -","4","0.666667","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.2045","0.0835","","","0.2036","0.2461","","","","","","0.838","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231335","6.993","0.0008","12.1747","0.0014","14.8694","0.0018","90","","97.493","0.002","90","","1255.1","0.3","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0902","0.0578","","","0.1624","0.1906","","","","","","1.058","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231336","7.0442","0.0007","12.0864","0.0011","14.7091","0.0014","90","","97.509","0.001","90","","1241.6","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0783","0.0566","","","0.1472","0.1647","","","","","","1.063","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231337","7.0671","0.0007","12.0636","0.0011","14.6451","0.0013","90","","97.534","0.001","90","","1237.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0746","0.0558","","","0.1465","0.1622","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231338","7.0251","0.0008","12.1145","0.0013","14.77","0.0016","90","","97.488","0.002","90","","1246.3","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0803","0.0561","","","0.1498","0.168","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231339","7.0911","0.0007","12.0408","0.0011","14.5761","0.0013","90","","97.552","0.001","90","","1233.7","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0732","0.0565","","","0.1467","0.1605","","","","","","1.076","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231340","7.0076","0.0008","12.142","0.0015","14.8216","0.0018","90","","97.481","0.002","90","","1250.4","0.3","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0843","0.0561","","","0.1527","0.1754","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231341","12.9994","0.0008","12.9994","0.0008","29.744","0.002","90","","90","","90","","5026.3","0.6","170","2","170","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H54 N6 O15 S2 -","- C50 H54 N6 O15 S2 -","- C200 H216 N24 O60 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.0949","0.06","","","0.1552","0.1776","","","","","","1.06","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231342","13.13","0.0003","13.13","0.0003","28.8287","0.0006","90","","90","","90","","4969.98","0.19","50","","50","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H55 N8 O16 S2 -","- C51 H55 N8 O16 S2 -","- C204 H220 N32 O64 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.1237","0.1208","","","0.2959","0.2985","","","","","","1.05","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231343","12.872","0.002","18.867","0.003","9.9383","0.0015","90","","90","","90","","2413.6","0.6","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Cd N4 O4 -","- C24 H32 Cd N4 O4 -","- C96 H128 Cd4 N16 O16 -","4","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.0493","0.0357","","","0.0937","0.1046","","","","","","1.062","","","","has coordinates,has disorder","229148","2020-10-21","18:00:00",""
"7231344","4.9673","0.0002","11.0634","0.0008","14.1225","0.0008","88.044","0.005","83.108","0.004","82.997","0.004","764.6","0.08","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","1","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.029","0.0268","","","0.0625","0.064","","","","","","1.059","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231345","7.5109","0.0006","10.1052","0.0007","15.4694","0.0011","89.61","0.001","88.201","0.001","84.586","0.001","1168.29","0.15","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28.5 Cd N4 O4.25 -","- C24 H28.5 Cd N4 O4.25 -","- C48 H57 Cd2 N8 O8.5 -","2","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.032","0.0288","","","0.0605","0.0623","","","","","","1.13","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231353","10.1548","0.0004","10.837","0.0004","12.2962","0.0005","91.796","0.001","98.909","0.001","112.907","0.001","1225.16","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N12 O4 Zn -","- C22 H14 N12 O4 Zn -","- C44 H28 N24 O8 Zn2 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0352","0.0336","","","0.1046","0.1057","","","","","","1.038","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231354","10.713","0.003","6.9055","0.0016","18.844","0.004","90","","100.097","0.004","90","","1372.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N7 O5 Zn -","- C11 H7 N7 O5 Zn -","- C44 H28 N28 O20 Zn4 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.057","0.0385","","","0.0906","0.0995","","","","","","1.035","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231355","6.0986","0.001","15.19","0.003","13.895","0.002","90","","100.349","0.005","90","","1266.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 N12 O4 Zn2 -","- C22 H14 Cl2 N12 O4 Zn2 -","- C44 H28 Cl4 N24 O8 Zn4 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0289","0.0254","","","0.0985","0.1038","","","","","","1.002","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231356","9.174","0.008","11.395","0.009","10.554","0.008","90","","101.254","0.013","90","","1082.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0363","0.0291","","","0.0768","0.0817","","","","","","1.062","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231357","12.146","0.005","18.094","0.008","7.506","0.003","90","","107.505","0.007","90","","1573.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N7 O7 -","- C11 H7 Cd N7 O7 -","- C44 H28 Cd4 N28 O28 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.1372","0.1174","","","0.3045","0.3122","","","","","","1.038","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231358","4.4245","0.0003","26.1617","0.0019","9.5862","0.0007","90","","92.754","0.002","90","","1108.34","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0262","0.0261","","","0.0682","0.0683","","","","","","1.02","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231359","34.2197","0.0012","7.8669","0.0003","18.949","0.0007","90","","104.802","0.001","90","","4931.8","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cd N12 O5 -","- C21.9999 H13.9999 Cd N11.9999 O5 -","- C175.999 H111.999 Cd8 N95.9992 O40 -","8","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0306","0.0265","","","0.0723","0.0745","","","","","","1.059","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231360","10.4993","0.0005","16.0117","0.0008","25.1481","0.0012","90","","90","","90","","4227.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SMT-SAC salt","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0338","0.0335","","","0.0874","0.0877","","","","","","1.084","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231361","8.0291","0.0002","17.5002","0.0004","14.6076","0.0003","90","","107.827","0.001","90","","1953.97","0.08","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C76 H76 N20 O20 S8 -","4","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0541","0.043","","","0.0996","0.105","","","","","","1.083","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231362","27.56","0.004","27.56","0.004","12.012","0.002","90","","90","","90","","9124","2","293","2","293","2","","","","","","","","7","I 41/a m d","-I 4bd 2","141","","","","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C96 H80 Mo48 N32 O160 P4 Zn16 -","2","","","Peng, Hai-Yue; Yang, Xiao-Jian; Ma, Yuan-Yuan; Liu, Jia-Ning; Wang, Yong-Hui; Tan, Huaqiao; Li, Yang-Guang","Polyoxometalate-based metal-organic framework loading with ultra-low amount of Pt as efficient electrocatalyst for hydrogen production","CrystEngComm","2018","","","","","10.1039/C8CE01151F","","","0.71073","MoKα","","0.0778","0.0669","","","0.1675","0.1782","","","","","","1.035","","","","has coordinates","209658","2020-10-21","18:00:00",""
"7231370","5.7789","0.0003","12.3293","0.0007","24.9401","0.0014","90","","90","","90","","1776.98","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0559","0.0361","","","0.104","0.1268","","","","","","0.933","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231371","9.5641","0.0007","20.0364","0.001","30.4887","0.0017","90","","90","","90","","5842.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 F3 N5 O6 S -","- C27 H32 F3 N5 O6 S -","- C216 H256 F24 N40 O48 S8 -","8","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.1115","0.0657","","","0.1271","0.1437","","","","","","1.009","","","","has coordinates,has disorder","229129","2020-10-21","18:00:00",""
"7231372","5.5932","0.0003","6.0945","0.0004","16.8563","0.0008","97.308","0.004","94.713","0.004","107.291","0.005","539.79","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 F N4 O3 -","- C9 H13 F N4 O3 -","- C18 H26 F2 N8 O6 -","2","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","1.54178","CuKα","","0.0426","0.0417","","","0.1117","0.1137","","","","","","1.047","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231373","11.185","0.0009","8.9191","0.0009","17.2838","0.0015","90","","96.393","0.009","90","","1713.5","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C56 H76 N20 O16 S8 -","4","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0921","0.0556","","","0.1151","0.1332","","","","","","0.973","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231381","11.4132","0.0008","18.7392","0.0012","19.1989","0.0011","71.434","0.005","73.347","0.005","81.818","0.005","3723.3","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Henicosa-[μ~3~-oxido]-nonadeca-[μ~3~-hydroxido]-octa-[μ-hydroxido]-tetraicosa-[μ-formiato-κ^2^O1:O2]-tetra-[formiato-κ^2^O1:O2]-hepta-[formiato-κO]-pentaaqua-hexaicosazirconium(IV) penta-formic acid solvate pentadecahydrate","","- C40 H82 O133 Zr26 -","- C40 H40 O133 Zr26 -","- C40 H40 O133 Zr26 -","1","0.5","","Nateghi, Bahareh; Boldog, Ishtvan; Domasevitch, Konstiantyn V.; Janiak, Christoph","More versatility than thought: large {Zr26} oxocarboxylate cluster by corner-sharing of standard octahedral subunits","CrystEngComm","2018","20","35","5132","","10.1039/C8CE01064A","","","1.54186","CuKα","","0.0719","0.0561","","","0.1533","0.1625","","","","","","0.981","","","","has coordinates,has disorder","229123","2020-10-21","18:00:00",""
"7231385","12.402","","14.734","","20.85","","90","","90","","90","","3809.94","","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","tetra(isonicotinato)-(acetato)-di(aqua)-(?3-hydroxo)-tri-manganese(ii)","","- C26 H22 Mn3 N4 O12 -","- C26 H22 Mn3 N4 O12 -","- C104 H88 Mn12 N16 O48 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.049","0.0437","","","0.1258","0.1285","","","","","","1.125","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231386","19.582","0.0011","20.1291","0.0007","12.0113","0.0004","90","","90","","90","","4734.5","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","tetra(isonicotinato)-di(N,N-dimethylacetamide)-(aqua)-(?3-hydroxo)-tri-cobalt(ii)","","- C32 H37 Cl Co3 N6 O16 -","- C32 H37 Cl Co3 N6 O16 -","- C128 H148 Cl4 Co12 N24 O64 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.0959","0.0786","","","0.2223","0.2356","","","","","","1.061","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231387","5.8605","0.0004","13.6144","0.0009","19.3605","0.0014","90","","105.582","0.003","90","","1487.95","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Co N2 O9 P -","- C9 H18 Co N2 O9 P -","- C36 H72 Co4 N8 O36 P4 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.1058","0.0845","","","0.1963","0.2057","","","","","","1.058","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231388","15.3007","0.0009","8.2832","0.0005","16.2601","0.001","90","","113.487","0.002","90","","1890","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Co2 N2 O14 P2 -","- C10 H20 Co2 N2 O14 P2 -","- C40 H80 Co8 N8 O56 P8 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.0565","0.0377","","","0.081","0.0876","","","","","","1.006","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231390","26.685","0.005","4.809","0.001","36.125","0.007","90","","107.56","0.03","90","","4419.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H55 Cl2 N7 O16 -","- C32 H41 Cl2 N7 O16 -","- C128 H164 Cl8 N28 O64 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.8","Synchrotron","","0.2381","0.142","","","0.2954","0.3499","","","","","","1.136","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231391","28.206","0.006","4.803","0.001","35.888","0.007","90","","97.44","0.03","90","","4820.9","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 I2 N7 O20.5 -","- C32 H41 I2 N7 O20.5 -","- C128 H164 I8 N28 O82 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.7","Synchrotron","","0.096","0.0714","","","0.1751","0.1904","","","","","","1.026","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231396","13.407","0.006","20.998","0.009","13.171","0.006","90","","104.296","0.006","90","","3593","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H52 Cu4 N12 O60 Si W12 -","- C20 H16 Cu4 N12 O51 Si W12 -","- C40 H32 Cu8 N24 O102 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yi, Li-Qiang; Lu, Jia-Ni; Dong, Long-Zhang; Lan, Ya-Qian","A stable polyoxometalate-based porous coordination polymer with high proton conductivity","CrystEngComm","2018","20","39","6077","","10.1039/C8CE00693H","","","0.71073","MoKα","","0.1333","0.0802","","","0.1763","0.1984","","","","","","1.035","","","","has coordinates,has disorder","228975","2020-10-21","18:00:00",""
"7231397","33.908","0.002","17.5051","0.0013","15.7559","0.0013","90","","115.591","0.005","90","","8434.7","1.1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-zinc(II)-N,N'-dimethylformamide solvate]","","- C48 H35 N7 O7 Zn -","- C48 H35 N7 O7 Zn -","- C384 H280 N56 O56 Zn8 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0829","0.0623","","","0.1664","0.1826","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231398","16.2604","0.0006","17.381","0.0006","30.3417","0.001","90","","101.28","0.002","90","","8409.6","0.5","100","2","99.99","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-manganese(II)-N,N'-dimethylformamide solvate]","","- C48.75 H36.75 Mn N7.25 O7.25 -","- C48.75 H36.75 Mn N7.25 O7.25 -","- C390 H294 Mn8 N58 O58 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0781","0.0636","","","0.1723","0.1847","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231399","34.7205","0.0018","17.3089","0.0006","15.8202","0.0007","90","","115.923","0.002","90","","8550.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.1 H32.9 N6.7 Ni O6.7 -","- C45 H28 N6 Ni O6 -","- C360 H224 N48 Ni8 O48 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","1.54178","CuKα","","0.1612","0.0996","","","0.2742","0.3409","","","","","","1.045","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231400","16.281","0.003","17.516","0.003","30.291","0.004","90","","100.546","0.003","90","","8492","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H35 Cd N7 O7 -","- C48 H35 Cd N7 O7 -","- C384 H280 Cd8 N56 O56 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","0.71073","MoKα","","0.1881","0.1267","","","0.251","0.2798","","","","","","1.185","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231401","11.52","0.004","12.109","0.004","12.548","0.003","112.79","0.02","100.47","0.03","102.1","0.02","1509.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 F9 O15 Rb3 S3 -","- C13 H22 F9 O15 Rb3 S3 -","- C26 H44 F18 O30 Rb6 S6 -","2","1","","Dankert, Fabian; Heine, Johanna; Rienmüller, Julia; von Hänisch, Carsten","Sila-polyethers as innocent crystallization reagents for heavy alkali metal compounds","CrystEngComm","2018","20","36","5370","","10.1039/C8CE01097H","","","0.71073","MoKα","","0.0481","0.0328","","","0.0778","0.0818","","","","","","1.001","","","","has coordinates","229117","2020-10-21","18:00:00",""
"7231436","15.9161","0.0015","9.2678","0.0008","17.748","0.0016","90","","116.527","0.003","90","","2342.4","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C64 H80 Co3 Eu4 Fe N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0171","0.015","","","0.0346","0.0351","","","","","","1.094","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231437","15.9157","0.0005","9.2572","0.0003","17.735","0.0006","90","","116.547","0.001","90","","2337.49","0.13","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co Eu N8 O7 -","- C16 H20 Co Eu N8 O7 -","- C64 H80 Co4 Eu4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0188","0.0168","","","0.0497","0.0503","","","","","","1.243","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231438","15.914","0.002","9.2658","0.0011","17.8","0.002","90","","116.489","0.005","90","","2349.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C64 H80 Co Eu4 Fe3 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0226","0.0193","","","0.0454","0.0465","","","","","","1.07","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231439","15.869","0.004","9.274","0.003","17.72","0.007","90","","116.259","0.01","90","","2338.7","1.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C64 H80 Co3.88 Eu4 Fe0.12 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.028","0.0271","","","0.0746","0.0751","","","","","","1.348","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231440","15.922","0.003","9.2557","0.0015","17.732","0.003","90","","116.446","0.006","90","","2339.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C64 H80 Co3.76 Eu4 Fe0.24 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0197","0.0172","","","0.0421","0.043","","","","","","1.028","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231441","15.9088","0.001","9.2677","0.0006","17.7418","0.0016","90","","116.514","0.002","90","","2340.7","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C64 H80 Co3.4 Eu4 Fe0.6 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0196","0.017","","","0.043","0.0438","","","","","","1.1","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231442","15.9155","0.0018","9.2628","0.0011","17.822","0.002","90","","116.366","0.003","90","","2354","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Eu Fe N8 O7 -","- C16 H20 Eu Fe N8 O7 -","- C64 H80 Eu4 Fe4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0254","0.0181","","","0.0553","0.1044","","","","","","1.475","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231443","15.9056","0.0018","9.258","0.0011","17.746","0.002","90","","116.54","0.004","90","","2337.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C64 H80 Co3.52 Eu4 Fe0.48 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0183","0.0157","","","0.0381","0.039","","","","","","1.013","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231444","15.9139","0.0007","9.2609","0.0004","17.7694","0.0008","90","","116.419","0.001","90","","2345.31","0.18","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C64 H80 Co2 Eu4 Fe2 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0372","0.0377","","","","","","1.117","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231445","15.907","0.003","9.268","0.002","17.718","0.004","90","","116.505","0.004","90","","2337.6","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C64 H80 Co3.64 Eu4 Fe0.36 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0155","","","0.0386","0.0394","","","","","","1.026","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231446","8.7461","0.0003","10.7477","0.0005","13.2654","0.0006","83.381","0.004","75.005","0.004","69.554","0.004","1128.19","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd N4 O4 S -","- C26 H16 Cd N4 O4 S -","- C52 H32 Cd2 N8 O8 S2 -","2","1","","Huang, Jia; Zhang, Jie; He, Runhua; Fu, Zhiyong","Structure of a Cd(ii) mixed-ligand coordination polymer: single crystalline conductance switch involving photoinduced electron transfer and photocoloration","CrystEngComm","2018","20","38","5663","","10.1039/C8CE01251B","","","0.71073","MoKα","","0.052","0.0486","","","0.1062","0.1079","","","","","","1.081","","","","has coordinates","229149","2020-10-21","18:00:00",""
"7231456","15.055","0.0007","5.2838","0.0002","11.1874","0.0005","90","","111.335","0.003","90","","828.94","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0451","0.0277","","","0.0496","0.0523","","","","","","0.89","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231457","15.0878","0.0005","5.2804","0.0002","11.2408","0.0004","90","","111.346","0.002","90","","834.11","0.05","229","2","229","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0504","0.0295","","","0.0499","0.053","","","","","","0.869","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231458","15.1069","0.0005","5.2772","0.0002","11.2674","0.0004","90","","111.344","0.002","90","","836.65","0.05","249","2","249","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0498","0.0294","","","0.0584","0.0641","","","","","","1.024","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231459","15.0775","0.0009","5.2848","0.0003","11.2151","0.0007","90","","111.405","0.004","90","","832","0.09","209","2","209","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0462","0.0277","","","0.0493","0.052","","","","","","0.87","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231460","15.1283","0.0005","5.2745","0.0001","11.2948","0.0004","90","","111.348","0.002","90","","839.42","0.05","269","2","269","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0534","0.0303","","","0.0596","0.0664","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231461","15.6409","0.0008","5.2384","0.0003","11.0229","0.0005","90","","90","","90","","903.14","0.08","191","2","191","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0328","0.0309","","","0.0748","0.0758","","","","","","1.085","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231462","15.6537","0.0005","5.2381","0.0002","11.0524","0.0003","90","","90","","90","","906.25","0.05","211","2","211","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0185","0.0166","","","0.0406","0.0415","","","","","","1.131","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231463","15.6966","0.0009","5.2398","0.0003","11.1314","0.0006","90","","90","","90","","915.52","0.09","276","2","276","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0208","0.0182","","","0.0448","0.0461","","","","","","1.115","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231464","3.9366","0.0003","13.2445","0.001","18.2177","0.0016","72.763","0.002","85.794","0.002","83.955","0.002","901.25","0.13","209","2","209","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0664","0.0527","","","0.1264","0.1303","","","","","","0.994","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231465","3.9272","0.0003","13.2313","0.0011","18.2212","0.0016","72.682","0.002","85.789","0.002","83.9","0.002","897.9","0.13","189","2","189","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0625","0.0507","","","0.1258","0.1298","","","","","","0.965","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231466","3.9684","0.0004","13.277","0.0014","18.217","0.002","73.014","0.003","85.807","0.003","84.125","0.003","912.19","0.17","269","2","269","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0516","0.032","","","0.0678","0.074","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231467","3.9578","0.0003","13.2665","0.0011","18.2186","0.0018","72.926","0.003","85.798","0.003","84.065","0.002","908.6","0.14","249","2","249","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.047","0.0305","","","0.0662","0.0715","","","","","","1.006","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231468","15.686","0.0007","5.2395","0.0002","11.1083","0.0005","90","","90","","90","","912.96","0.07","256","2","256","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.02","0.0178","","","0.0422","0.0431","","","","","","1.12","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231469","15.6785","0.0006","5.2396","0.0002","11.086","0.0004","90","","90","","90","","910.7","0.06","231","2","231","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0435","","","","","","1.125","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231470","3.9472","0.0003","13.2528","0.001","18.2138","0.0015","72.838","0.002","85.776","0.002","83.982","0.002","904.43","0.12","229","2","229","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0701","0.053","","","0.1277","0.1329","","","","","","0.966","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231477","9.1398","0.0018","11.737","0.002","19.444","0.005","90","","117.68","0.02","90","","1847.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 Cu N2 -","- C8 H22 Cl6 Cu N2 -","- C32 H88 Cl24 Cu4 N8 -","4","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.1806","0.0697","","","0.1338","0.1789","","","","","","1.026","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231478","6.3887","0.0013","8.7893","0.0018","9.6997","0.0019","66.57","0.03","82.91","0.03","79","0.03","489.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0236","0.0211","","","0.0502","0.0511","","","","","","1.083","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231479","6.411","0.0008","8.835","","9.7295","0.0002","66.616","0.013","82.87","0.02","79.14","0.02","496.02","0.08","343","2","343","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0389","0.0291","","","0.0561","0.0587","","","","","","0.992","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231480","8.0685","0.0004","11.3449","0.0004","11.37","0.0005","66.307","0.004","75.977","0.004","72.054","0.004","898.25","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","1","0.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0394","0.0321","","","0.0803","0.086","","","","","","1.052","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231481","8.0365","0.0004","9.909","0.0007","12.1201","0.0008","94.619","0.006","95.775","0.005","94.636","0.005","953.29","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.91 H2.36 Eu0.18 N0.55 O2.18 -","- C2.90909 H2.36364 Eu0.181818 N0.545455 O2.18182 -","- C32 H26 Eu2 N6 O24 -","11","5.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0895","0.0689","","","0.1663","0.2144","","","","","","1.093","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231488","18.1126","0.0009","18.1126","0.0009","46.624","0.004","90","","90","","120","","13246.5","1.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Co N O6.5 -","- C14 H9 Co N O5 -","- C504 H324 Co36 N36 O180 -","36","1","","He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao","A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries","CrystEngComm","2018","20","37","5576","","10.1039/C8CE01039K","","","0.71073","MoKα","","0.0945","0.0661","","","0.1577","0.1737","","","","","","1.045","","","","has coordinates,has disorder","228907","2020-10-21","18:00:00",""
"7231489","7.838","0.002","10.632","0.003","10.783","0.003","114.411","0.004","94.739","0.005","104.111","0.005","776.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","1","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0794","0.0637","","","0.1998","0.2501","","","","","","1.129","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231490","21.331","0.005","7.9294","0.0019","26.114","0.006","90","","90","","90","","4417","1.8","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cd N3 O7 -","- C24 H15 Cd N3 O7 -","- C192 H120 Cd8 N24 O56 -","8","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1114","0.0495","","","0.086","0.106","","","","","","0.985","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231491","7.5476","0.0013","11.701","0.002","14.477","0.003","109.368","0.003","100.819","0.003","102.451","0.003","1130.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N3 O9 -","- C24 H18 Co N3 O9 -","- C48 H36 Co2 N6 O18 -","2","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0922","0.069","","","0.195","0.2775","","","","","","1.166","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231492","13.39","0.008","9.643","0.006","15.34","0.01","90","","99.263","0.012","90","","1955","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cu N2 O8 -","- C19 H16 Cu N2 O8 -","- C76 H64 Cu4 N8 O32 -","4","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1472","0.0681","","","0.1546","0.2017","","","","","","0.973","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231493","31.709","0.009","7.843","0.002","21.873","0.006","90","","131.327","0.004","90","","4084.9","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd3 N4 O16 -","- C38 H30 Cd3 N4 O16 -","- C152 H120 Cd12 N16 O64 -","4","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0391","0.0318","","","0.079","0.0837","","","","","","1.051","","","","has coordinates,has disorder","229151","2020-10-21","18:00:00",""
"7231499","5.1932","0.0008","5.1932","0.0008","11.426","0.004","90","","90","","90","","308.15","0.13","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- Gd2.28 Li1.16 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","1","","","Sun, Shijia; Qi, Wei; Chen, Weidong; Lou, Fei; Zhong, Degao; Hu, Chen; Zhang, Lizhen; Lin, Zhoubin; Teng, Bing","Li2Gd4(MoO4)7 crystal preparation and spectral properties applying to 2.0 μm lasers","CrystEngComm","2018","","","","","10.1039/C8CE01192C","","","0.71073","MoKα","","0.0452","0.0438","","","0.1433","0.1475","","","","","","1.172","","","","has coordinates","210546","2020-10-21","18:00:00",""
"7231500","9.884","0.005","10.055","0.005","21.401","0.01","93.574","0.008","91.624","0.008","112.313","0.008","1960.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","1","0.5","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0702","0.0487","","","0.1226","0.1317","","","","","","1.04","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231501","10.0679","0.0006","11.2018","0.0007","11.3853","0.0007","103.514","0.001","107.522","0.001","95.532","0.001","1171.13","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N4 Ni O7 -","- C23 H26 N4 Ni O7 -","- C46 H52 N8 Ni2 O14 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0825","0.0856","","","","","","1.039","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231502","8.1354","0.0017","16.294","0.003","16.793","0.003","108.688","0.004","90.416","0.004","94.18","0.004","2102","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 N8 Ni O10 S -","- C42 H44 N8 Ni O10 S -","- C84 H88 N16 Ni2 O20 S2 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0843","0.0527","","","0.1201","0.1374","","","","","","1.035","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231503","23.542","0.013","10.509","0.006","10.273","0.006","90","","104.604","0.008","90","","2459","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H24 N4 Ni O9 -","- C23 H24 N4 Ni O9 -","- C92 H96 N16 Ni4 O36 -","4","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0474","0.037","","","0.0996","0.1092","","","","","","1.047","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231504","16.517","0.007","14.199","0.007","11.763","0.005","90","","117.976","0.008","90","","2436.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cd Cu2 N4 O10 -","- C46 H44 Cd Cu2 N4 O10 -","- C92 H88 Cd2 Cu4 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0834","0.0637","","","0.1557","0.1647","","","","","","1.115","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231505","33.368","0.01","11.339","0.004","22.334","0.007","90","","120.204","0.004","90","","7303","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cu4 Mn N8 O12 -","- C84 H84 Cu4 Mn N8 O12 -","- C336 H336 Cu16 Mn4 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0944","0.0499","","","0.1034","0.1239","","","","","","0.962","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231506","16.705","0.008","14.059","0.008","11.579","0.006","90","","117.522","0.009","90","","2412","2","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cu2 Mn N4 O10 -","- C46 H44 Cu2 Mn N4 O10 -","- C92 H88 Cu4 Mn2 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.1017","0.0841","","","0.2328","0.2425","","","","","","1.14","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231507","33.2826","0.0012","11.3712","0.0003","22.6379","0.0009","90","","120.453","0.003","90","","7385.7","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd Cu4 N8 O12 -","- C84 H84 Cd Cu4 N8 O12 -","- C336 H336 Cd4 Cu16 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0308","0.0258","","","0.0957","0.1041","","","","","","0.907","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231510","12.1515","0.001","13.1137","0.0011","16.5899","0.0014","98.339","0.001","105.425","0.001","104.474","0.001","2403.3","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","1","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.0838","0.0752","","","0.2037","0.2151","","","","","","1.048","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231511","16.289","0.0017","16.476","0.0017","18.003","0.002","104.61","0.002","116.152","0.002","91.609","0.002","4142.5","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cl N12 O20 Ru2 V6 -","- C72 H48 Cl N12 O20 Ru2 V6 -","- C144 H96 Cl2 N24 O40 Ru4 V12 -","2","1","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1089","0.0926","","","0.2562","0.2771","","","","","","1.028","","","","has coordinates,has disorder","229052","2020-10-21","18:00:00",""
"7231512","26.468","0.004","15.103","0.002","23.374","0.003","90","","108.164","0.003","90","","8878","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 N12 O43 Ru2 V10 -","- C72 H48 N12 O43 Ru2 V10 -","- C288 H192 N48 O172 Ru8 V40 -","4","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1342","0.0731","","","0.1721","0.2153","","","","","","1.025","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231513","8.902","0.0006","9.2715","0.0008","14.2635","0.0012","84.984","0.007","89.142","0.006","63.976","0.007","1053.47","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ BSAH","Albendazole benzene sulfonic acid hydrate","","- C18 H23 N3 O6 S2 -","- C18 H23 N3 O6 S2 -","- C36 H46 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1073","0.0639","","","0.1434","0.1709","","","","","","1.026","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231514","8.9","0.005","9.573","0.005","14.453","0.008","83.026","0.009","72.434","0.008","63.151","0.008","1047.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ABZ-PTSAH","Albendazole paratoulene sulfonic acid hydrate","","- C19 H25 N3 O6 S2 -","- C19 H25 N3 O6 S2 -","- C38 H50 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0734","0.0694","","","0.1889","0.1945","","","","","","1.046","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231515","15.2992","0.0017","9.742","0.0009","15.8825","0.0014","90","","115.573","0.012","90","","2135.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 S2 -","- C19 H23 N3 O5 S2 -","- C76 H92 N12 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1227","0.074","","","0.1883","0.2105","","","","","","1.106","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231516","8.5042","0.0007","9.4678","0.0007","26.084","0.002","96.005","0.006","93.966","0.007","102.377","0.007","2031","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ-BSA","Albendazole benzenesulfonic acid","","- C18 H21 N3 O5 S2 -","- C18 H21 N3 O5 S2 -","- C72 H84 N12 O20 S8 -","4","2","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1844","0.0844","","","0.2121","0.2723","","","","","","0.991","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231517","5.2659","0.0007","28.337","0.004","11.2029","0.0015","90","","93.925","0.002","90","","1667.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-OAH","Albendazole oxalic acid hydrate","","- C14 H15 N3 O7 S -","- C14 H15 N3 O7 S -","- C56 H60 N12 O28 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0657","0.064","","","0.1589","0.1598","","","","","","1.326","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231518","17.176","0.005","9.293","0.003","25.789","0.008","90","","105.95","0.005","90","","3958","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-26DHBA","Albendazole-26dihydroxy benzoic acid","","- C38 H26 N6 O12 S2 -","- C38 H26 N6 O12 S2 -","- C152 H104 N24 O48 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0986","0.0758","","","0.1946","0.2099","","","","","","1.095","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231521","7.2684","0.0003","11.2015","0.0005","11.2573","0.0005","65.725","0.001","73.534","0.001","72.674","0.001","783.82","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 Ba O13 P3 -","- C6 H15 Ba O13 P3 -","- C12 H30 Ba2 O26 P6 -","2","1","","Athanasopoulos, Evangelos D.; Armakola, Eirini; Koutsoukos, Petros G.; Demadis, Konstantinos D.","Nucleation and crystal growth of barium sulfate: inhibition in the presence of rigid and flexible triphosphonate additives","CrystEngComm","2018","20","41","6589","","10.1039/C8CE01116H","","","0.71073","MoKα","","0.021","0.0199","","","0.0513","0.0517","","","","","","1.08","","","","has coordinates","228917","2020-10-21","18:00:00",""
"7231522","10.8415","0.0002","13.7771","0.0004","6.9369","0.0002","90","","102.685","0.001","90","","1010.84","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0803","0.0488","","","0.1247","0.1421","","","","","","1.062","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231523","11.526","0.0002","7.222","0.0002","26.949","0.0007","90","","90","","90","","2243.26","0.09","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0669","0.0384","","","0.1002","0.1173","","","","","","1.079","","","","has coordinates,has disorder","229053","2020-10-21","18:00:00",""
"7231524","12.217","0.0002","10.689","0.0002","18.218","0.0005","90","","90.039","0.001","90","","2379.04","0.09","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C104 H88 Cl8 N16 O16 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0442","0.0357","","","0.0885","0.0931","","","","","","1.07","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231525","13.818","0.0002","11.305","0.0002","13.56","0.0003","90","","107.686","0.0009","90","","2018.12","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C96 H80 N16 O16 -","8","2","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0606","0.0415","","","0.1062","0.1162","","","","","","1.044","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231526","15.6345","0.0008","11.2144","0.0005","12.7553","0.0006","90","","90","","90","","2236.41","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N3 O7 Zn -","- C20 H23 N3 O7 Zn -","- C80 H92 N12 O28 Zn4 -","4","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0262","0.0237","","","0.0636","0.0653","","","","","","1.032","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231527","37.298","0.006","13.1819","0.0019","19.249","0.005","90","","113.855","0.014","90","","8655","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Co4 N12 O18 -","- C69 H45 Co4 N12 O18 -","- C276 H180 Co16 N48 O72 -","4","0.5","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0598","0.0458","","","0.1184","0.1233","","","","","","0.99","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231528","10.205","0.0003","14.3969","0.0004","16.594","0.0004","97.411","0.002","102.378","0.002","105.892","0.002","2244.14","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 N9 O19 Zn2 -","- C39 H43 N9 O19 Zn2 -","- C78 H86 N18 O38 Zn4 -","2","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0463","0.0342","","","0.0844","0.0909","","","","","","1.038","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231529","19.9133","0.0004","12.3389","0.0004","14.9402","0.0003","90","","111.332","0.001","90","","3419.43","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 O17 Zn2 -","- C32 H30 N4 O17 Zn2 -","- C128 H120 N16 O68 Zn8 -","4","0.5","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0285","0.024","","","0.068","0.0703","","","","","","1.036","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231530","18.8612","0.0003","18.8612","0.0003","17.5446","0.0004","90","","90","","120","","5405.21","0.17","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C20 H14 Cu N4 O4 -","- C20 H14 Cu N4 O4 -","- C180 H126 Cu9 N36 O36 -","9","","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0438","0.0394","","","0.1171","0.122","","","","","","1.095","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231532","12.8523","0.0004","12.8523","0.0004","45.7558","0.0017","90","","90","","120","","6545.4","0.4","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","Sodium cerium iminodiacetato biphenyl dicarboxylate","Sodium cerium iminodiacetato biphenyl dicarboxylate","","- C54 H36 Ce3 N3 Na3 O28 -","- C54 H36 Ce3 N3 Na3 O28 -","- C162 H108 Ce9 N9 Na9 O84 -","3","0.166667","","Maity, Rahul; Chakraborty, Debanjan; Nandi, Shyamapada; Rinku, Kushwaha; Vaidhyanathan, Ramanathan","Microporous mixed-metal mixed-ligand metal organic framework for selective CO2 capture","CrystEngComm","2018","20","39","6088","","10.1039/C8CE00752G","","","1.54178","CuKα","","0.0359","0.0357","","","0.1199","0.12","","","","","","1.193","","","","has coordinates","228984","2020-10-21","18:00:00",""
"7231535","10.768","0.0005","12.2601","0.0006","13.3043","0.0006","97.054","0.002","101.999","0.002","98.839","0.002","1675.71","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cl2 N4 O6 -","- C38 H39 Cl2 N4 O6 -","- C76 H78 Cl4 N8 O12 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.044","0.0372","","","0.096","0.1006","","","","","","1.033","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231536","23.5127","0.0011","7.1104","0.0003","19.6874","0.0009","90","","108.636","0.002","90","","3118.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.0335","0.0307","","","0.0867","0.089","","","","","","1.092","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231537","7.7589","0.0004","11.9715","0.0005","16.3035","0.0006","73.776","0.003","77.048","0.004","80.463","0.004","1408.44","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 F N4 O5 -","- C30 H29 Cl2 F N4 O5 -","- C60 H58 Cl4 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0994","0.0905","","","0.2509","0.2583","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231538","6.9178","0.0004","18.4663","0.001","20.0399","0.001","90","","92.316","0.005","90","","2557.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 F3 N3 O6 -","- C29 H25 F3 N3 O6 -","- C116 H100 F12 N12 O24 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","","","0.06","0.0522","","","0.1187","0.1222","","","","","","1.224","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231539","7.0624","0.0003","13.6301","0.0008","15.3041","0.0007","73.354","0.005","77.509","0.004","80.518","0.004","1369.7","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F N4 O5 -","- C31 H33 F N4 O5 -","- C62 H66 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0589","0.046","","","0.1102","0.1164","","","","","","1.11","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231540","18.5334","0.0007","6.7235","0.0003","25.4164","0.0012","90","","91.407","0.004","90","","3166.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl F N4 O8 -","- C35 H36 Cl F N4 O8 -","- C140 H144 Cl4 F4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.152","0.1672","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231541","10.49","0.003","11.48","0.003","11.803","0.003","71.177","0.005","80.96","0.005","69.147","0.004","1255.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0761","0.0475","","","0.1185","0.1342","","","","","","1.002","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231542","10.63","0.0005","11.386","0.0005","11.491","0.0005","100.128","0.001","105.992","0.001","91.208","0.001","1312.58","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H40 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0341","0.0296","","","0.0918","0.0948","","","","","","1.036","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231543","10.653","0.0017","11.38","0.0018","12.165","0.002","93.925","0.004","114.034","0.003","96.044","0.003","1329.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.1008","0.0605","","","0.157","0.1813","","","","","","1.015","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231554","9.3306","0.0003","12.1953","0.0006","13.9463","0.0007","106.882","0.004","96.827","0.003","110.51","0.004","1378.53","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N3 O8 Zn -","- C34 H20 N3 O8 Zn -","- C68 H40 N6 O16 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.053","0.039","","","0.0807","0.0881","","","","","","1.033","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231555","9.9165","0.0006","11.2086","0.0008","15.7088","0.0013","69.766","0.007","83.974","0.006","65.283","0.006","1486.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N3 O11 Zn -","- C31 H19 N3 O11 Zn -","- C62 H38 N6 O22 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.0979","0.0778","","","0.1932","0.2043","","","","","","1.149","","","","has coordinates,has disorder","228967","2020-10-21","18:00:00",""
"7231556","22.9944","0.0014","9.5069","0.0006","14.6854","0.001","90","","93.394","0.002","90","","3204.7","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H48 N6 O17 Zn2 -","- C80 H48 N6 O17 Zn2 -","- C160 H96 N12 O34 Zn4 -","2","0.5","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.1564","0.1435","","","0.3024","0.3086","","","","","","1.173","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231557","20.873","0.0007","20.873","0.0007","14.2157","0.0004","90","","90","","90","","6193.5","0.3","300","2","300","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0464","0.0458","","","0.1141","0.1144","","","","","","1.142","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231558","20.8811","0.0009","20.8811","0.0009","14.219","0.0004","90","","90","","90","","6199.8","0.4","295","2","295","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0456","0.0445","","","0.1094","0.1099","","","","","","1.087","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231559","13.7697","0.0005","26.2046","0.0009","31.9937","0.0012","90","","90","","90","","11544.3","0.7","90","2","90","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0486","0.0453","","","0.0693","0.0702","","","","","","1.417","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231560","20.7954","0.0007","20.7954","0.0007","14.1103","0.0005","90","","90","","90","","6102","0.4","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0218","0.0217","","","0.0526","0.0526","","","","","","1.062","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231561","13.9379","0.0003","26.6853","0.0005","31.5931","0.0006","90","","90","","90","","11750.6","0.4","296","2","296","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0648","0.0589","","","0.1058","0.108","","","","","","1.368","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231562","20.792","0.002","20.792","0.002","14.1122","0.0007","90","","90","","90","","6100.8","0.9","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0271","0.027","","","0.0651","0.0652","","","","","","1.09","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231563","11.765","0.002","6.848","0.0014","15.417","0.003","90","","100.72","0.03","90","","1220.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","1","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0307","0.0307","","","0.0879","0.0879","","","","","","1.104","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231564","18.579","0.004","31.71","0.006","40.968","0.008","90","","92.51","0.03","90","","24113","8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 Ni O2 -","- C34 H40 N2 Ni O2 -","- C1088 H1280 N64 Ni32 O64 -","32","16","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0343","0.0307","","","0.0804","0.0828","","","","","","1.034","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231565","11.693","0.002","39.642","0.008","9.7135","0.0018","90","","111.005","0.007","90","","4203.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl6 Mn2 N4 O14 -","- C34 H24 Cl6 Mn2 N4 O14 -","- C136 H96 Cl24 Mn8 N16 O56 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0691","0.0516","","","0.1273","0.1377","","","","","","1.038","","","","has coordinates,has disorder","228921","2020-10-21","18:00:00",""
"7231566","18.6545","0.0012","14.0357","0.0008","15.6154","0.001","90","","90","","90","","4088.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H26 Cl4 Mn2 N7 O13 -","- C36 H26 Cl4 Mn2 N7 O13 -","- C144 H104 Cl16 Mn8 N28 O52 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0753","0.07","","","0.1856","0.1907","","","","","","1.084","","","","has coordinates","228921","2020-10-21","18:00:00",""
"7231567","16.249","0.0004","10.264","0.0003","9.9035","0.0003","90","","96.976","0.002","90","","1639.48","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C48 H104 Cl8 N8 O16 Pd4 -","4","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0309","0.0263","","","0.05","0.0532","","","","","","1.062","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231568","7.4645","0.00019","7.6682","0.0002","16.3035","0.0005","90","","100.063","0.003","90","","918.84","0.04","100.29","0.1","100.29","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl2 N2 O4 Pb -","- C12 H26 Cl2 N2 O4 Pb -","- C24 H52 Cl4 N4 O8 Pb2 -","2","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0405","0.0262","","","0.0418","0.047","","","","","","1.01","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231569","6.5577","0.0003","7.8482","0.0003","7.8785","0.0003","83.909","0.003","81.02","0.003","87.767","0.003","398.14","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","1","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0264","0.0242","","","0.0498","0.0508","","","","","","1.08","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231570","9.0814","0.0007","9.3267","0.0007","9.8315","0.0007","83.997","0.003","65.41","0.002","63.057","0.002","671.38","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Sm -","- C10 H12 O11 Sm -","- C20 H24 O22 Sm2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0221","0.0176","","","0.0348","0.0359","","","","","","1.063","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231571","8.2905","0.0003","18.7105","0.0007","7.797","0.0003","90","","105.969","0.0015","90","","1162.8","0.08","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Dy O8.7 -","- C9 H9.4 Dy O8.7 -","- C36 H37.6 Dy4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0227","0.0188","","","0.0427","0.0441","","","","","","1.049","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231572","8.3156","0.0004","18.7115","0.0007","7.8028","0.0004","90","","106.171","0.002","90","","1166.06","0.09","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Tb -","- C9 H9.4 O8.7 Tb -","- C36 H37.6 O34.8 Tb4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.052","0.0311","","","0.0526","0.0568","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231573","14.0391","0.0004","6.7782","0.0002","21.9289","0.0005","90","","90","","90","","2086.75","0.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Tb -","- C10 H5 O6 Tb -","- C80 H40 O48 Tb8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0309","0.0214","","","0.0345","0.0363","","","","","","1.093","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231574","8.3815","0.0003","18.8425","0.0006","7.8522","0.0002","90","","106.311","0.0011","90","","1190.18","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Sm -","- C9 H9.4 O8.7 Sm -","- C36 H37.6 O34.8 Sm4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0388","0.0253","","","0.0461","0.0494","","","","","","1.057","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231575","9.0276","0.0002","12.5114","0.0003","10.4264","0.0002","90","","103.238","0.001","90","","1146.35","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Sm2 -","- C16 H20 O18 Sm2 -","- C32 H40 O36 Sm4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.036","0.0368","","","","","","1.053","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231576","9.1538","0.0004","9.315","0.0004","9.7631","0.0005","84.232","0.0017","65.533","0.0015","62.711","0.0016","669.27","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Tb -","- C10 H12 O11 Tb -","- C20 H24 O22 Tb2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0504","0.035","","","0.051","0.0542","","","","","","1.097","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231577","8.9118","0.0002","12.3451","0.0003","10.34","0.0002","90","","103.048","0.0009","90","","1108.21","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Er2 O18 -","- C16 H20 Er2 O18 -","- C32 H40 Er4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0257","0.0209","","","0.0318","0.0326","","","","","","1.005","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231578","14.0967","0.0008","6.8258","0.0003","22.0196","0.0013","90","","90","","90","","2118.8","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Eu O6 -","- C10 H5 Eu O6 -","- C80 H40 Eu8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0499","0.0259","","","0.0572","0.0845","","","","","","1.149","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231579","9.0081","0.0003","12.4849","0.0004","10.4062","0.0003","90","","103.211","0.001","90","","1139.36","0.06","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Eu2 O18 -","- C16 H20 Eu2 O18 -","- C32 H40 Eu4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0191","0.0164","","","0.0282","0.0286","","","","","","1.058","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231580","8.9635","0.0003","12.4252","0.0004","10.3811","0.0004","90","","103.123","0.0011","90","","1125.99","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Tb2 -","- C16 H20 O18 Tb2 -","- C32 H40 O36 Tb4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.038","0.0281","","","0.0484","0.0508","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231581","14.1351","0.0006","6.8443","0.0003","22.0442","0.001","90","","90","","90","","2132.66","0.16","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Sm -","- C10 H5 O6 Sm -","- C80 H40 O48 Sm8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0577","0.0412","","","0.0972","0.1039","","","","","","1.199","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231582","13.9332","0.0016","6.7258","0.0008","21.795","0.002","90","","90","","90","","2042.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Er O6 -","- C10 H5 Er O6 -","- C80 H40 Er8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0303","0.0232","","","0.0486","0.0504","","","","","","1.104","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231583","8.3194","0.0007","18.7938","0.0015","7.8274","0.0006","90","","106.066","0.002","90","","1176.04","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Gd O8.7 -","- C9 H9.4 Gd O8.7 -","- C36 H37.6 Gd4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.0385","0.0395","","","","","","1.111","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231586","13.5715","0.0012","10.693","0.0009","21.9043","0.0016","90","","99.931","0.002","90","","3131.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 B N O4 -","- C38 H40 B N O4 -","- C152 H160 B4 N4 O16 -","4","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0846","0.047","","","0.0916","0.1057","","","","","","0.999","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231587","7.6544","0.0002","10.3806","0.0003","10.4938","0.0003","105.591","0.0013","102.958","0.0012","95.446","0.0013","771.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 Br N2 O3 -","- C14 H20 Br N O4 -","- C28 H40 Br2 N2 O8 -","2","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0262","0.0225","","","0.0588","0.0864","","","","","","1.108","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231588","7.8199","0.0014","8.6152","0.0015","12.9","0.002","98.216","0.002","99.515","0.002","90.024","0.002","848.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethylene","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0561","0.0421","","","0.1078","0.1162","","","","","","1.064","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231589","7.503","0.003","7.836","0.003","20.382","0.007","88.77","0.09","85.38","0.05","79.99","0.05","1176.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,3-Bis(4-pyridyl)propane","","- C28 H29 N3 O2 -","- C28 H29 N3 O2 -","- C56 H58 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0929","0.0523","","","0.1188","0.1398","","","","","","1.014","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231590","38.014","0.016","5.787","0.003","15.566","0.007","90","","93.646","0.006","90","","3417","3","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,2-Bis(4-pyridyl)ethane","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C160 H160 N8 O24 -","4","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0583","0.0404","","","0.0865","0.0949","","","","","","1.017","","","","has coordinates,has disorder","228918","2020-10-21","18:00:00",""
"7231591","7.549","0.005","8.736","0.006","13.095","0.008","100.617","0.01","99.729","0.009","93.918","0.009","832.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 4,4'-azopyridine","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C40 H38 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0641","0.0415","","","0.0958","0.1078","","","","","","1.036","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231592","35.567","0.008","5.7333","0.0015","33.199","0.008","90","","91.732","0.004","90","","6767","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,3-Bis(4-pyridyl)propane","","- C41 H42 N2 O6 -","- C41 H42 N2 O6 -","- C328 H336 N16 O48 -","8","2","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.066","0.0447","","","0.0947","0.1038","","","","","","1.039","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231593","7.45","0.007","7.835","0.007","16.895","0.016","94.3","0.03","93.16","0.017","117.89","0.02","864.6","1.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethane","","- C21 H21 N2 O2 -","- C21 H21 N2 O2 -","- C42 H42 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0601","0.0423","","","0.1035","0.1143","","","","","","1.052","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231594","15.483","0.007","5.745","0.002","19.668","0.008","90","","110.025","0.008","90","","1643.7","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","co-crystal of naproxen and 4,4'-azopyridine","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C76 H72 N8 O12 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.05","0.0381","","","0.0866","0.0921","","","","","","1.048","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231595","6.9225","0.0006","7.7077","0.0006","31.93","0.003","90","","91.279","0.002","90","","1703.3","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl4 Cu N2 -","- C12 H20 Cl4 Cu N2 -","- C48 H80 Cl16 Cu4 N8 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.1004","0.0862","","","0.1818","0.1884","","","","","","1.259","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231596","21.2189","0.0018","8.7496","0.0008","7.2499","0.0007","90","","94.387","0.004","90","","1342.1","0.2","293","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H18 Cl2 Cu N2 -","- C12 H18 Cl2 Cu N2 -","- C48 H72 Cl8 Cu4 N8 -","4","2","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.7107","MoKα","","0.0929","0.0913","","","0.2411","0.2424","","","","","","1.087","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231597","12.155","0.0008","13.1686","0.0009","20.007","0.0013","90","","93.363","0.002","90","","3196.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl4 Cu2 N5 -","- C26 H39 Cl4 Cu2 N5 -","- C104 H156 Cl16 Cu8 N20 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.0942","0.0684","","","0.1399","0.1521","","","","","","1.195","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231599","18.0496","0.001","8.027","0.0004","20.6646","0.0011","90","","102.221","0.001","90","","2926.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","1","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0433","0.0297","","","0.0654","0.0724","","","","","","1.017","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231600","23.835","0.005","10.0215","0.0019","12.362","0.002","90","","90","","90","","2952.8","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","0.5","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0583","0.0478","","","0.1614","0.1777","","","","","","0.753","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231601","9.711","0.004","16.824","0.007","26.957","0.011","90","","96.816","0.007","90","","4373","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co8 N10 O10 -","- C27.2 H16 Co0.8 N5.6 O5.6 -","- C136 H80 Co4 N28 O28 -","5","1.25","","Wang, Kuaibing; Wang, Xin; Zhang, Dan; Wang, Huijian; Wang, Zikai; Zhao, Minyan; Xi, Rui; Wu, Hua; Zheng, Mingbo","Interpenetrated nano-MOFs for ultrahigh-performance supercapacitors and excellent dye adsorption performance","CrystEngComm","2018","20","43","6940","","10.1039/C8CE01067F","","","0.71073","MoKα","","0.1735","0.1248","","","0.322","0.3633","","","","","","1.065","","","","has coordinates","228952","2020-10-21","18:00:00",""
"7231602","15.715","0.007","23.065","0.009","9.764","0.004","90","","108.308","0.007","90","","3360","2","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co N2 O7.5 -","- C29 H30 Co N2 O7.5 -","- C116 H120 Co4 N8 O30 -","4","0.5","","Tan, Huiling; Chen, Qibin; Sheng, Yujie; Li, Xiaoxiao; Liu, Honglai","Guest-induced reversible crystal-to-amorphous-to-crystal transformation in a Co(ii)-based metal‒organic framework","CrystEngComm","2018","20","42","6828","","10.1039/C8CE01324A","","","0.71073","MoKα","","0.1297","0.0606","","","0.1532","0.1914","","","","","","0.884","","","","has coordinates","228966","2020-10-21","18:00:00",""
"7231616","18.5209","0.0003","18.5209","0.0003","39.0171","0.0009","90","","90","","120","","11590.7","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H16 Cu2 N2 O10 -","- C28 H12 Cu2 N2 O10 -","- C252 H108 Cu18 N18 O90 -","9","0.25","","Li, Saidan; Wu, Jing; Gao, Xiaoxia; He, Minghui; Wang, Yao; Wang, Xia; He, Yabing","A NbO-type MOF based on an aromatic-rich and N-functionalized diisophthalate ligand for high-performance acetylene storage and purification","CrystEngComm","2018","20","44","7178","","10.1039/C8CE01585F","","","1.54178","CuKα","","0.0613","0.048","","","0.1413","0.1522","","","","","","1.015","","","","has coordinates","228902","2020-10-21","18:00:00",""
"7231623","13.6619","0.0006","13.1449","0.0006","29.4958","0.001","90","","98.109","0.0015","90","","5244","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S138","","","- C44 H44 Br4 Co3 N6 O9 S2 -","- C44 H44 Br4 Co3 N6 O9 S2 -","- C176 H176 Br16 Co12 N24 O36 S8 -","4","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0378","0.0298","","","0.0608","0.0631","","","","","","1.151","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231624","12.1333","0.0006","12.4014","0.0006","16.1899","0.0008","102.673","0.002","100.042","0.002","100.232","0.002","2280.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S139","","","- C36 H48 Br3 Co2 N15 O3 -","- C36 H48 Br3 Co2 N15 O3 -","- C72 H96 Br6 Co4 N30 O6 -","2","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0324","0.0244","","","0.048","0.0502","","","","","","1.05","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231626","20.8441","0.001","16.0569","0.0008","23.1343","0.0011","90","","114.16","0.0011","90","","7064.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 Cl4 Mn7 N21 O26 -","- C42 H64 Cl4 Mn7 N21 O26 -","- C168 H256 Cl16 Mn28 N84 O104 -","4","0.5","","Yang, En-Che; Huang, Han-Sheng; Huang, Shao-Yun; Huang, Shi-Yi; Chang, Yu-Ying; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Chang, Chung-Kai","A one dimensional coordination polymer composed of antiferromagnetically coupled disk-like [Mn7] units","CrystEngComm","2018","20","43","6963","","10.1039/C8CE01374H","","","0.71073","MoKα","","0.0664","0.0527","","","0.1438","0.1529","","","","","","1.038","","","","has coordinates,has disorder","228951","2020-10-21","18:00:00",""
"7231630","23.1181","0.0018","8.8477","0.0008","18.8039","0.0012","90","","90","","90","","3846.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6.33 Eu O10.33 S -","- C8 H6.3332 Eu O10.3333 S -","- C64 H50.6656 Eu8 O82.6664 S8 -","8","0.5","","Yuan, Yue-Ying; Yang, Shuai-Liang; Zhang, Chen-Xi; Wang, Qing-Lun","A new europium metal‒organic framework with both high proton conductivity and highly sensitive detection of ascorbic acid","CrystEngComm","2018","20","43","6989","","10.1039/C8CE01506F","","","0.71073","MoKα","","0.0784","0.0639","","","0.2033","0.2194","","","","","","1.099","","","","has coordinates","228953","2020-10-21","18:00:00",""
"7231631","8.7892","0.0003","7.4533","0.0002","16.4801","0.0004","90","","90","","90","","1079.59","0.05","175","","175","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H4 Na2 O13 Si4 Sn -","- H4 Na2 O13 Si4 Sn -","- H16 Na8 O52 Si16 Sn4 -","4","0.5","","Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.","Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase","CrystEngComm","2018","20","46","7479","","10.1039/C8CE01548A","","","0.71073","MoKα","","0.0735","0.0714","","0.0667","0.0653","0.0653","","","","","","0.8506","","","","has coordinates","229024","2020-10-21","18:00:00",""
"7231632","8.6659","0.0003","43.0938","0.001","22.4966","0.0006","90","","112.628","0.004","90","","7754.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cu4 I10 N12 O2 -","- C60 H65 Cu4 I10 N12 O2 -","- C240 H260 Cu16 I40 N48 O8 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0844","0.0795","","","0.2294","0.2373","","","","","","1.07","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231633","20.7409","0.0005","17.1057","0.0003","11.6678","0.0002","90","","90","","90","","4139.59","0.14","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C39 H46 Ag N11 O2 S4 -","- C39 H46 Ag N11 O2 S4 -","- C156 H184 Ag4 N44 O8 S16 -","4","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0769","0.0682","","","0.1866","0.1931","","","","","","1.098","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231634","10.7081","0.0003","16.2105","0.0003","27.427","0.0008","90","","125.51","0.004","90","","3875.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Hg I5 N6 -","- C33 H39 Hg I5 N6 -","- C132 H156 Hg4 I20 N24 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0463","0.035","","","0.0764","0.0819","","","","","","1.041","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231635","10.0714","0.0005","17.5006","0.0005","10.6518","0.0006","90","","115.604","0.007","90","","1693.08","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Br2 I N6 O2 -","- C33 H43 Br2 I N6 O2 -","- C66 H86 Br4 I2 N12 O4 -","2","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0846","0.0534","","","0.108","0.1223","","","","","","1.033","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231636","8.7246","0.0003","18.8111","0.0005","11.1783","0.0004","90","","111.852","0.005","90","","1702.76","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 I3 N6 O3 -","- C30 H39 I3 N6 O3 -","- C60 H78 I6 N12 O6 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0637","0.0713","","","","","","1","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231637","8.7292","0.0004","13.9897","0.0006","15.3377","0.0007","90.287","0.003","98.19","0.004","99.191","0.003","1829.38","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 I5 N6 Pb -","- C30 H33 I5 N6 Pb -","- C60 H66 I10 N12 Pb2 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0627","0.0438","","","0.1017","0.1125","","","","","","1.026","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231638","16.6035","0.0005","14.3351","0.0003","17.8354","0.0003","90","","95.774","0.002","90","","4223.52","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cu I4 N7 O -","- C39 H42 Cu I4 N7 O -","- C156 H168 Cu4 I16 N28 O4 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.082","0.0501","","","0.1127","0.1306","","","","","","1.021","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231639","13.34926","0.00019","16.7927","0.0002","36.5631","0.0006","90","","90.0824","0.0013","90","","8196.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 I3 N7 -","- C39 H42 I3 N7 -","- C312 H336 I24 N56 -","8","2","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.1067","0.0771","","","0.2348","0.2618","","","","","","1.042","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231640","11.3449","0.0003","20.7592","0.0006","17.6129","0.0006","90","","90","","90","","4148","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","1","0.125","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0879","0.0926","","","","","","1.053","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231641","15.9746","0.0002","35.124","0.0005","16.4115","0.0002","90","","90","","90","","9208.4","0.2","293","2","293","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C41 H46 Br4.5 Cu1.5 N8 -","- C41 H46 Br4.5 Cu1.5 N8 -","- C328 H368 Br36 Cu12 N64 -","8","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.1331","0.1272","","","0.3477","0.3506","","","","","","1.107","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231642","11.9515","0.0015","4.8375","0.0006","22.198","0.003","90","","103.424","0.002","90","","1248.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","","- C9 H16 N4 Ni O2 S -","- C9 H16 N4 Ni O2 S -","- C36 H64 N16 Ni4 O8 S4 -","4","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0472","0.0449","","","0.1148","0.1164","","","","","","1.083","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231643","9.1756","0.0019","10.59","0.002","9.4434","0.0019","90","","98.876","0.003","90","","906.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","","- C14 H24 N8 Ni O3 -","- C14 H24 N8 Ni O3 -","- C28 H48 N16 Ni2 O6 -","2","0.5","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0222","0.0219","","","0.0567","0.0569","","","","","","1.008","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231644","6.8975","0.0018","9.13","0.002","12.645","0.003","92.821","0.004","92.276","0.004","104.339","0.004","769.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","","- C12 H22 N4 Ni O5 -","- C12 H22 N4 Ni O5 -","- C24 H44 N8 Ni2 O10 -","2","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0356","0.028","","","0.0579","0.0588","","","","","","1.052","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231645","9.2792","0.0006","13.6005","0.0008","21.724","0.0013","90","","95.37","0.001","90","","2729.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","","- C12 H18 N4 Ni O4 -","- C12 H18 N4 Ni O4 -","- C96 H144 N32 Ni8 O32 -","8","2","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0561","0.0364","","","0.0593","0.0628","","","","","","1.057","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231646","12.8048","0.0009","13.6116","0.0009","15.3227","0.0011","79.826","0.002","74.283","0.002","65.695","0.002","2336.5","0.3","296.15","","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0342","0.0288","","","0.0828","0.0859","","","","","","1.035","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231647","13.209","0.0007","12.8421","0.0006","28.4056","0.0014","90","","98.754","0.003","90","","4762.3","0.4","100.01","","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C20 H26 Ce8 Cs5 Na15 O202 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","","0.71073","MoKα","","0.0653","0.0637","","","0.1934","0.1963","","","","","","1.104","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231648","12.7662","0.0004","13.7583","0.0005","15.2105","0.0006","79.276","0.0019","75.0343","0.0017","65.2698","0.0015","2334.97","0.15","99.99","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0337","0.0262","","","0.0586","0.0612","","","","","","1.019","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231649","18.741","0.0011","21.5447","0.0012","30.606","0.0016","70.021","0.003","86.051","0.003","66.33","0.003","10603.4","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce18 Cs6.5 Na14 O364.5 Si8 W72 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.1097","0.0658","","","0.1511","0.1874","","","","","","1.08","","","","has coordinates,has disorder","228904","2020-10-21","18:00:00",""
"7231650","13.5499","0.0003","12.9776","0.0003","26.9266","0.0006","90","","98.2429","0.0013","90","","4686","0.18","100.02","","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C16 H20 Ce8 Na20 O212 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0411","0.0291","","","0.0532","0.0561","","","","","","1.052","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231662","11.7255","0.0006","8.2616","0.0006","10.4236","0.0007","90","","90","","90","","1009.75","0.11","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H14 Cl N O5 -","- C7 H14 Cl N O5 -","- C28 H56 Cl4 N4 O20 -","4","0.5","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1009","0.0956","","","0.3086","0.3265","","","","","","1.11","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231663","6.4782","0.0008","6.4782","0.0008","6.4782","0.0008","90","","90","","90","","271.87","0.06","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C9.6 Cl O3.9996 -","- C9.6 Cl O3.9996 -","1","0.0208333","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1864","0.1552","","","0.3544","0.3987","","","","","","1.258","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231664","21.635","0.006","22.749","0.006","36.225","0.01","72.345","0.006","81.085","0.007","65.911","0.006","15500","7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C232 H376 N16 O168 Ti32 -","- C202 H268 N16 O138 Ti32 -","- C404 H536 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.0764","0.06","","","0.164","0.1797","","","","","","1.025","","","","has coordinates","228906","2020-10-21","18:00:00",""
"7231665","21.009","0.01","23.513","0.015","44.73","0.02","81.041","0.012","79.236","0.006","66.339","0.011","19802","18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C319 H608 N16 O197 Ti32 -","- C202 H266 N16 O138 Ti32 -","- C404 H532 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.1187","0.0895","","","0.2524","0.2795","","","","","","1.048","","","","has coordinates,has disorder","228906","2020-10-21","18:00:00",""
"7231678","25.132","0.002","13.226","0.0008","15.163","0.0009","90","","99.288","0.005","90","","4974","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zju-41","","- C21 H6 Eu2 N3 O18 -","- C21 H6 Eu2 N3 O18 -","- C84 H24 Eu8 N12 O72 -","4","0.5","","Zhao, Dian; Wang, Huizhen; Qian, Guodong","Synthesis, structure and temperature sensing of a lanthanide-organic framework constructed from a pyridine-containing tetracarboxylic acid ligand","CrystEngComm","2018","20","45","7395","","10.1039/C8CE01649F","","","0.71073","MoKα","","0.1143","0.1069","","","0.3163","0.3246","","","","","","1.083","","","","has coordinates","229135","2020-10-21","18:00:00",""
"7231679","15.8498","0.0012","16.1591","0.0013","23.6701","0.0017","97.696","0.002","92.686","0.002","112.973","0.002","5498.5","0.7","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Co3 N8 O18 -","- C90 H58 Co3 N8 O18 -","- C180 H116 Co6 N16 O36 -","2","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1265","0.0715","","","0.1448","0.1673","","","","","","1.024","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231680","10.2058","0.0005","17.9059","0.0009","14.6501","0.0008","90","","91.812","0.004","90","","2675.9","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Pb -","- C25 H38 Fe N2 P2 Pb -","- C100 H152 Fe4 N8 P8 Pb4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0569","0.039","","","0.0861","0.0942","","","","","","1.068","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231681","10.9718","0.0003","17.9451","0.0006","14.1019","0.0005","90","","101.232","0.002","90","","2723.34","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Si -","- C25 H38 Fe N2 P2 Si -","- C100 H152 Fe4 N8 P8 Si4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0666","0.0479","","","0.1173","0.1275","","","","","","1.04","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231682","65.582","0.004","30.419","0.002","16.9367","0.001","90","","90.001","0.001","90","","33788","4","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H132 Cd6 N16 O42 -","- C188 H132 Cd6 N16 O42 -","- C1504 H1056 Cd48 N128 O336 -","8","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1337","0.087","","","0.1907","0.2232","","","","","","1.077","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231686","13.1669","0.0007","6.3974","0.0004","10.7817","0.0006","90","","90.605","0.001","90","","908.13","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","sarcosine peroxosolvate","N-methylglycine peroxosolvate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C18 H54 N6 O24 -","6","3","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0249","0.0243","","","0.0662","0.0669","","","","","","1.047","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231687","18.7167","0.0005","18.7167","0.0005","5.7741","0.0003","90","","90","","90","","2022.75","0.13","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3-phenylserine peroxosolvate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C72 H104 N8 O40 -","8","1","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0368","0.0299","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231701","7.12752","0.00019","17.6661","0.0004","13.3872","0.0003","90","","93.272","0.003","90","","1682.91","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Bi Br2 Cl4 N2 -","- C10 H9 Bi Br2 Cl4 N2 -","- C40 H36 Bi4 Br8 Cl16 N8 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.038","0.0292","","","0.0564","0.0595","","","","","","1.061","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231702","21.9138","0.0009","8.3002","0.0003","11.1021","0.0004","90","","90","","90","","2019.35","0.13","130","2","130","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H14 Bi Br2 Cl5 N2 -","- C12 H14 Bi Br2 Cl5 N2 -","- C48 H56 Bi4 Br8 Cl20 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0329","0.0249","","","0.0495","0.0522","","","","","","1.05","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231703","9.1733","0.0003","10.5445","0.0003","10.733","0.0004","100.26","0.003","97.127","0.003","108.312","0.003","951.67","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Bi Br7 N2 -","- C10 H10 Bi Br7 N2 -","- C20 H20 Bi2 Br14 N4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.039","0.0301","","","0.0525","0.056","","","","","","1.013","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231704","8.2817","0.0004","20.8514","0.0011","12.0986","0.0005","90","","90","","90","","2089.25","0.17","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H12 Bi Br7 N2 O -","- C10 H10 Bi Br7 N2 O -","- C40 H40 Bi4 Br28 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0422","0.0384","","","0.0899","0.0929","","","","","","1.035","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231705","5.5707","0.0003","15.775","0.0008","10.517","0.0006","90","","104.307","0.005","90","","895.55","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Bi Br2 Cl5 N2 -","- C10 H10 Bi Br2 Cl5 N2 -","- C20 H20 Bi2 Br4 Cl10 N4 -","2","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0465","0.0353","","","0.0762","0.0814","","","","","","1.051","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231706","9.322","0.0003","20.3199","0.0007","9.6981","0.0003","90","","100.515","0.003","90","","1806.19","0.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Bi2 Br12 N3 O3 -","- C15 H15 Bi2 Br12 N3 O3 -","- C30 H30 Bi4 Br24 N6 O6 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0479","0.0423","","","0.0845","0.0883","","","","","","1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231707","8.1878","0.0007","12.1235","0.0009","19.5314","0.0015","90","","99.969","0.008","90","","1909.5","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Bi2 Br12 N3 O2 -","- C18 H21 Bi2 Br12 N3 O2 -","- C36 H42 Bi4 Br24 N6 O4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0533","0.0481","","","0.0991","0.105","","","","","","1.078","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231708","11.5904","0.0007","7.6333","0.0004","21.9998","0.0011","90","","96.548","0.005","90","","1933.69","0.18","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Bi Br2 Cl5 N2 O -","- C10 H10 Bi Br2 Cl5 N2 O -","- C40 H40 Bi4 Br8 Cl20 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0431","0.0344","","","0.075","0.079","","","","","","1.1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231709","8.8204","0.0004","10.4344","0.0004","10.4924","0.0004","99.47","0.003","97.092","0.004","108.757","0.004","885.7","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","1","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0445","0.0363","","","0.0627","0.068","","","","","","1.03","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231711","13.407","0.005","14.365","0.005","35.826","0.013","90","","90","","90","","6900","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H68 N11 Ni7 O51 P W9 -","- C18 H31 N11 Ni7 O45 P W9 -","- C72 H124 N44 Ni28 O180 P4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.0592","0.0436","","","0.0923","0.0989","","","","","","1.009","","","","has coordinates,has disorder","229028","2020-10-21","18:00:00",""
"7231712","12.947","0.003","20.737","0.005","22.751","0.004","97.442","0.01","90.63","0.009","93.308","0.01","6046","2","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H69 N10 Na Ni7 O91 P2 W21 -","- C18 H24 N10 Na Ni7 O91 P2 W21 -","- C36 H48 N20 Na2 Ni14 O182 P4 W42 -","2","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.1247","0.0893","","","0.2191","0.2539","","","","","","1.03","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231713","13.28","0.004","19.351","0.006","23.254","0.007","90","","90","","90","","5976","3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H49 N6 Ni6 O50 P S W9 -","- C12 H20 N6 Ni6 O45 P S W9 -","- C48 H80 N24 Ni24 O180 P4 S4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.068","0.0546","","","0.1364","0.1442","","","","","","1.023","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231714","8.9461","0.0006","16.1753","0.001","20.8774","0.0017","90","","100.396","0.008","90","","2971.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1252","0.0655","","","0.1767","0.2168","","","","","","1.119","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231715","18.1061","0.0011","13.5141","0.0007","17.5192","0.0009","90","","111.113","0.006","90","","3999","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 Cl4 N10 O8 S -","- C72 H104 Cl4 N10 O8 S -","- C144 H208 Cl8 N20 O16 S2 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1186","0.0683","","","0.1422","0.1716","","","","","","1.082","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231716","9.0143","0.0006","15.6469","0.0017","21.0997","0.0015","90","","98.821","0.007","90","","2940.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.21","0.0818","","","0.185","0.2331","","","","","","1.154","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231717","13.2635","0.0009","16.5661","0.0012","28.231","0.003","90","","93.852","0.007","90","","6189","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Br2 N6 O6 -","- C56 H94 Br2 N6 O6 -","- C224 H376 Br8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2285","0.0743","","","0.156","0.2268","","","","","","1","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231718","13.2862","0.0006","16.574","0.0008","28.0803","0.0013","90","","93.874","0.005","90","","6169.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Cl2 N6 O6 -","- C56 H94 Cl2 N6 O6 -","- C224 H376 Cl8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1521","0.0797","","","0.1791","0.2165","","","","","","1.179","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231719","8.4539","0.0007","10.2145","0.0008","18.1488","0.0015","92.095","0.007","99.967","0.007","107.977","0.007","1461.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1558","0.0853","","","0.2052","0.2478","","","","","","0.978","","","","has coordinates,has disorder","223518","2020-10-21","18:00:00",""
"7231720","8.9473","0.0016","16.101","0.004","21.153","0.004","90","","100.9","0.02","90","","2992.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br4 N6 O2 -","- C52 H88 Br4 N6 O2 -","- C104 H176 Br8 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1625","0.0777","","","0.1773","0.2301","","","","","","1.183","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231721","8.2364","0.0009","10.9069","0.0014","20.0064","0.0017","85.053","0.008","79.089","0.008","81.371","0.01","1741.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2318","0.0922","","","0.1801","0.2317","","","","","","1.148","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231722","8.4459","0.0005","11.6202","0.001","15.6367","0.0011","82.597","0.007","83.548","0.005","86.964","0.006","1511.05","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.0958","0.064","","","0.1684","0.2022","","","","","","0.871","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231723","6.1995","0.0013","10.621","0.002","10.8086","0.0017","73.54","0.016","87.889","0.015","74.954","0.018","658.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Li O5 S -","- C12 H11 Li O5 S -","- C24 H22 Li2 O10 S2 -","2","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0923","0.0807","","","0.1947","0.2114","","","","","","1.034","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231724","23.135","0.002","18.519","0.002","5.9607","0.0006","90","","90","","90","","2553.8","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 K O9 S2 -","- C24 H21 K O9 S2 -","- C96 H84 K4 O36 S8 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0805","0.0578","","","0.0996","0.112","","","","","","1.053","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231725","5.8453","0.0004","20.2492","0.0013","16.2705","0.0015","90","","98.81","0.007","90","","1903.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cs O6 S -","- C15 H19 Cs O6 S -","- C60 H76 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0903","0.0637","","","0.1746","0.1977","","","","","","1.023","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231726","5.8479","0.0008","19.8676","0.0018","15.163","0.002","90","","94.894","0.014","90","","1755.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cs O6 S -","- C14 H15 Cs O6 S -","- C56 H60 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0978","0.0706","","","0.1571","0.1808","","","","","","1.081","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231727","10.415","0.0006","20.769","0.0011","6.1304","0.0004","90","","90.375","0.006","90","","1326.03","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Na O5 S -","- C12 H11 Na O5 S -","- C48 H44 Na4 O20 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0732","0.0674","","","0.1706","0.1732","","","","","","1.058","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231728","12.4476","0.0009","13.9099","0.0008","7.1","0.0005","90","","90","","90","","1229.33","0.14","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Ca O4 S -","- C12 H8 Ca O4 S -","- C48 H32 Ca4 O16 S4 -","4","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0544","0.0462","","","0.1593","0.1659","","","","","","1.05","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231729","13.1788","0.0005","13.052","0.0003","25.6276","0.0009","90","","103.014","0.004","90","","4295","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Mg O22 S3 -","- C36 H48 Mg O22 S3 -","- C144 H192 Mg4 O88 S12 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0948","0.066","","","0.1178","0.138","","","","","","1.017","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231730","5.6916","0.001","11.2202","0.0013","12.0632","0.0014","106.848","0.01","99.54","0.012","94.197","0.012","721.08","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","1","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0895","0.0652","","","0.1752","0.2001","","","","","","1.075","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231731","17.1688","0.001","17.1688","0.001","16.0605","0.0011","90","","90","","90","","4734.1","0.5","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 Ba2 O32 S8 -","- C96 H76 Ba2 O32 S8 -","- C192 H152 Ba4 O64 S16 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0861","0.0845","","","0.2259","0.2279","","","","","","1.062","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231732","20.2502","0.0009","5.6487","0.0002","26.7408","0.0011","90","","111.037","0.005","90","","2854.9","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Ba2 O11 S2 -","- C26 H26 Ba2 O11 S2 -","- C104 H104 Ba8 O44 S8 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0385","0.0325","","","0.0683","0.0718","","","","","","1.072","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231733","5.6083","0.0003","18.9927","0.0013","13.8433","0.0009","90","","93.795","0.005","90","","1471.31","0.16","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O6 S Sr -","- C12 H12 O6 S Sr -","- C48 H48 O24 S4 Sr4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0852","0.0533","","","0.1136","0.1397","","","","","","1.053","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231734","16.9794","0.0008","16.9794","0.0008","15.815","0.0011","90","","90","","90","","4559.5","0.4","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 O32 S8 Sr2 -","- C96 H76 O32 S8 Sr2 -","- C192 H152 O64 S16 Sr4 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0959","0.0623","","","0.1501","0.1708","","","","","","1.004","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231735","5.9689","0.0003","18.6102","0.0007","11.605","0.0006","90","","94.291","0.004","90","","1285.5","0.1","295","2","295","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 Mg O5 S -","- C12 H10 Mg O5 S -","- C48 H40 Mg4 O20 S4 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0515","0.0382","","","0.091","0.0993","","","","","","1.025","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231736","28.861","0.006","9.191","0.002","17.149","0.003","90","","111.76","0.03","90","","4224.8","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Hg N6 O S2 -","- C20 H14 Hg N6 O S2 -","- C160 H112 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.0561","0.0366","","","0.083","0.088","","","","","","0.8291","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231737","12.9176","0.0003","7.7756","0.0002","17.4321","0.0004","90","","93.026","0.001","90","","1748.48","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Hg N6 O S2 -","- C15 H12 Hg N6 O S2 -","- C60 H48 Hg4 N24 O4 S8 -","4","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.046","0.0256","","","0.0441","0.0497","","","","","","0.9895","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231738","7.3825","0.0004","8.417","0.0004","8.8371","0.0004","113.255","0.001","105.18","0.001","95.99","0.002","473.36","0.04","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","3-(3-methylimidazolium-1-yl)propanoate dihydrate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C14 H28 N4 O8 -","2","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0373","0.0342","","","0.0911","0.0937","","","","","","1.073","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231739","6.6643","0.0004","8.7065","0.0005","12.8","0.0008","90","","90","","90","","742.69","0.08","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3-methylimidazolium-1-yl)propanoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0274","0.0266","","","0.0707","0.0712","","","","","","1.087","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231740","7.7258","0.0007","12.6758","0.0012","8.8421","0.0009","90","","105.55","0.01","90","","834.22","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-methylimidazolium-1-yl)propanoate monohydrate","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.042","0.0337","","","0.0807","0.0855","","","","","","1.046","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231741","20.1911","0.0009","7.9146","0.0003","22.5627","0.0011","90","","92.268","0.002","90","","3602.8","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1 (2 carboxyethyl)-3-methylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C112 H176 Cl16 N32 O32 -","16","2","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0715","0.0733","","","","","","1.033","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231742","11.454","0.002","16.08","0.003","13.689","0.002","90","","103.293","0.003","90","","2453.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Eu2 N8 O14 -","- C50 H42 Eu2 N8 O14 -","- C100 H84 Eu4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0514","0.0355","","","0.0796","0.0873","","","","","","1.048","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231743","15.764","0.008","7.932","0.004","18.869","0.009","90","","91.802","0.008","90","","2358","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N5 O7 Tb -","- C23 H16 N5 O7 Tb -","- C92 H64 N20 O28 Tb4 -","4","1","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0884","0.0537","","","0.1431","0.166","","","","","","1.037","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231744","11.4496","0.0019","16.139","0.003","13.595","0.002","90","","103.261","0.003","90","","2445.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N8 O14 Tb2 -","- C50 H42 N8 O14 Tb2 -","- C100 H84 N16 O28 Tb4 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0757","0.0415","","","0.0843","0.0975","","","","","","0.996","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231745","11.4127","0.0019","16.033","0.003","13.543","0.002","90","","103.302","0.003","90","","2411.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Dy2 N8 O14 -","- C50 H42 Dy2 N8 O14 -","- C100 H84 Dy4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.073","0.0416","","","0.0876","0.1017","","","","","","0.982","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231746","10.9477","0.0005","12.6996","0.0005","12.7984","0.0004","110.328","0.003","100.145","0.003","108.53","0.004","1497.64","0.13","296.62","0.1","296.62","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 Cd N6 O8 -","- C32 H22 Cd N6 O8 -","- C64 H44 Cd2 N12 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0277","0.0242","","","0.0624","0.0647","","","","","","1.056","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231747","11.2419","0.0004","12.472","0.0004","12.7658","0.0004","112.81","0.003","98.524","0.003","107.333","0.003","1502.58","0.11","292.14","0.1","292.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Cd N7 O8 -","- C32 H20 Cd N7 O8 -","- C64 H40 Cd2 N14 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","0.71","MoKα","","0.0298","0.0277","","","0.0737","0.0753","","","","","","1.092","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231748","8.9688","0.0002","13.3571","0.0003","13.4352","0.0003","90","","102.071","0.002","90","","1573.91","0.06","296.61","0.1","296.61","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H26 Cd N6 O9 -","- C36 H26 Cd N6 O9 -","- C72 H52 Cd2 N12 O18 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0295","0.0257","","","0.0644","0.0677","","","","","","1.06","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231749","9.66","0.0011","22.258","0.003","11.3838","0.0013","90","","106.975","0.002","90","","2341","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O8 Zn2 -","- C24 H15 N O8 Zn2 -","- C96 H60 N4 O32 Zn8 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0585","0.0405","","","0.0947","0.1014","","","","","","1.088","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231750","11.117","0.001","11.2139","0.001","13.6948","0.0012","104.059","0.001","100.259","0.001","93.09","0.002","1621.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O13 Pb2 -","- C24 H11 N O9 Pb2 -","- C48 H22 N2 O18 Pb4 -","2","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0742","0.0562","","","0.1677","0.1823","","","","","","1.079","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231751","14.751","0.005","12.781","0.005","11.161","0.005","90","","90","","90","","2104.2","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 Mn N O9 -","- C24 H19 Mn N O9 -","- C96 H76 Mn4 N4 O36 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71069","MoKα","","0.0484","0.0358","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231752","10.8479","0.0018","20.105","0.003","22.305","0.004","90","","90","","90","","4864.7","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cd N O11 -","- C24 H23 Cd N O11 -","- C192 H184 Cd8 N8 O88 -","8","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0502","0.0333","","","0.0789","0.0869","","","","","","1.023","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231753","9.5199","0.0007","10.2672","0.0006","12.5352","0.0008","84.614","0.005","70.854","0.006","80.244","0.005","1139.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 Cu2 N9 S3 -","- C23 H12 Cu2 N9 S3 -","- C46 H24 Cu4 N18 S6 -","2","1","","Li, Meng-Hua; You, Ming-Hua; Zhang, Jiang-Yan; Xiao, Wang-Chuan; Lin, Mei-Jin","A bicontinuous donor‒acceptor hybrid heterostructure based on coordination and cation‒π interactions","CrystEngComm","2018","20","48","7795","","10.1039/C8CE01526K","","x-ray","0.71073","MoKα","","0.0564","0.0497","","","0.1563","0.1664","","","","","","1.055","","","","has coordinates","229049","2020-10-21","18:00:00",""
"7231754","7.309","0.011","16.54","0.02","6.169","0.009","90","","108.823","0.015","90","","705.9","1.7","159","2","159","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1615","0.1024","","","0.2479","0.2717","","","","","","1.232","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231755","5.568","0.0016","7.214","0.002","31.782","0.009","89.956","0.006","85.324","0.004","89.866","0.004","1272.4","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0791","0.0548","","","0.1456","0.159","","","","","","1.031","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231756","50.25","0.03","7.055","0.004","5.609","0.003","90","","90","","90","","1988","2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1042","0.0948","","","0.2464","0.2505","","","","","","1.143","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231757","5.565","0.003","7.183","0.004","27.043","0.014","90.145","0.007","91.445","0.007","90.099","0.007","1080.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1693","0.0725","","","0.1684","0.2063","","","","","","1.009","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231758","9.173","0.003","5.6554","0.0017","17.357","0.005","90","","104.928","0.003","90","","870","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1114","0.1192","","","","","","1.053","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231759","67.94","0.006","7.1161","0.0006","5.5638","0.0005","90","","90","","90","","2689.9","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1383","0.0973","","","0.2764","0.2967","","","","","","1.09","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231760","38.19","0.02","4.088","0.002","9.951","0.005","90","","90.206","0.01","90","","1553.5","1.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0937","0.0841","","","0.2448","0.2534","","","","","","1.057","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231761","5.5474","0.0007","7.1923","0.0009","36.076","0.005","89.983","0.003","89.626","0.004","89.903","0.003","1439.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1574","0.1012","","","0.2479","0.2778","","","","","","1.082","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231762","58.86","0.02","7.1","0.003","5.574","0.002","90","","90","","90","","2329.4","1.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1867","0.1548","","","0.4634","0.4772","","","","","","1.861","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231764","8.408","0.005","20.812","0.005","12.279","0.005","90","0.005","97.875","0.005","90","0.005","2128.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N4 O5 Zn -","- C20 H17 N4 O5 Zn -","- C80 H68 N16 O20 Zn4 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0672","0.0595","","","0.1449","0.1535","","","","","","1.064","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231765","13.7262","0.0013","20.841","0.002","18.9308","0.0018","90","","90","","90","","5415.5","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H25 Co N4 O9 -","- C26 H17 Co N4 O5 -","- C208 H136 Co8 N32 O40 -","8","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0843","0.0704","","","0.2159","0.2253","","","","","","1.046","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231766","20.946","0.002","21.777","0.003","19.067","0.002","90","","102.325","0.002","90","","8496.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 N18 O23 Zn4 -","- C84 H54 N18 O23 Zn4 -","- C336 H216 N72 O92 Zn16 -","4","0.5","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71069","MoKα","","0.0743","0.0592","","","0.1606","0.172","","","","","","0.981","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231767","16.0554","0.0018","16.5185","0.0017","19.99","0.002","90","","93.14","0.002","90","","5293.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 N8 O16 Zn2 -","- C54 H34 N8 O16 Zn2 -","- C216 H136 N32 O64 Zn8 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0701","0.0525","","","0.1343","0.1444","","","","","","1.052","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231768","12.4801","0.0001","23.2176","0.0002","23.4275","0.0003","90","","90","","90","","6788.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/(-)-ephedrine complex","","","- C56 H85 Cl2 N26 O22.6 -","- C56 H80 Cl2 N26 O22.621 -","- C224 H320 Cl8 N104 O90.484 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","0.71073","MoKα","","0.0652","0.0539","","","0.1211","0.1284","","","","","","1.09","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231769","14.3239","0.0007","20.8368","0.0007","12.9299","0.0006","90","","108.378","0.005","90","","3662.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cucurbit[6]uril/(±)-synephrine complex","","","- C54 H92 Cl2 N26 O30 -","- C54 H72 Cl2 N26 O30 -","- C108 H144 Cl4 N52 O60 -","2","0.5","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.0723","0.0692","","","0.1907","0.1933","","","","","","1.044","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231770","50.127","0.009","50.127","0.009","12.4583","0.0004","90","","90","","120","","27110","7","100","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/(±)-octopamine complex","","","- C44 H72.67 Cl N25 O26.33 -","- C44 H48 Cl N25 O26.3333 -","- C792 H864 Cl18 N450 O474 -","18","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.2244","0.1243","","","0.2721","0.3121","","","","","","1.007","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231771","12.6334","0.0003","16.0589","0.0004","30.9023","0.0008","90","","99.95","0.003","90","","6175.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H73.4 Cl3 Mg N25 O26.7 -","- C44 H48 Cl3 Mg N25 O26.7 -","- C176 H192 Cl12 Mg4 N100 O106.8 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.153","0.114","","","0.3056","0.333","","","","","","1.038","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231779","24.47","0.02","24.029","0.017","17.149","0.012","90","","90.869","0.018","90","","10082","13","292","2","292","","","","","","","","","4","C 1 2/m 1","-C 2y","12","WUF-19","","","- C48 H31 O13.5 Zn4 -","- C48 H31 O13.5 Zn4 -","- C192 H124 O54 Zn16 -","4","0.5","","Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher","High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks","CrystEngComm","2019","21","1","60","","10.1039/C8CE01740A","","","1.54178","CuKα","","0.237","0.181","","","0.4599","0.4986","","","","","","2.771","","","","has coordinates,has disorder","223520","2020-10-21","18:00:00",""
"7231788","20.93","0.006","21.739","0.002","30.936","0.002","90","","90","","90","","14076","4","10","2","10","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C405.8 H194.16 Ag8 Al8 Cl11.6 F288 Mo32 N8 O96 P32 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","0.6702","synchrotron","","0.0536","0.0493","","","0.1332","0.1376","","","","","","1.069","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231789","18.1526","0.0009","18.9664","0.0007","18.8938","0.0008","90","","110.424","0.006","90","","6096","0.5","123","0.3","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C164.8 H81.6 Ag4 Al4 Cl9.6 F144 Mo8 N8 O32 P8 -","2","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0867","0.0557","","","0.1453","0.1536","","","","","","0.964","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231790","15.4197","0.0005","15.8109","0.0005","17.58","0.0006","107.136","0.003","92.394","0.003","90.977","0.002","4090.2","0.2","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","","","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","1","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0908","0.0764","","","0.2287","0.2417","","","","","","1.079","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231791","28.6833","0.0002","25.7478","0.0002","15.8316","0.0001","90","","90","","90","","11692.1","0.14","123","2","123","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C328 H160 Ag8 Al8 Cl16 F288 Mo16 N16 O64 P16 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0435","0.043","","","0.1161","0.1165","","","","","","1.058","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231792","5.06","0.006","6.392","0.008","15.823","0.018","87.32","0.04","83.9","0.04","71.23","0.02","481.8","1","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 F N2 O5 -","- C7 H10 F N2 O5 -","- C14 H20 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71073","MoKα","","0.0582","0.0489","","","0.1351","0.1434","","","","","","1.05","","","","has coordinates","223636","2020-10-21","18:00:00",""
"7231793","5.443","0.009","5.845","0.009","14.47","0.02","92.228","0.018","94.392","0.009","110.98","0.03","427.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F N2 O5 -","- C6 H8 F N2 O5 -","- C12 H16 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71075","MoKα","","0.0744","0.0521","","","0.1386","0.1537","","","","","","0.956","","","","has coordinates","223636","2020-10-21","18:00:00",""
"7231794","13.215","0.005","10.327","0.005","16.162","0.005","90","0.005","93.56","0.005","90","0.005","2201.4","1.5","296","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C92 H112 N16 O12 -","4","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0636","0.0471","","","0.1211","0.1356","","","","","","0.993","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231795","20.941","0.005","11.461","0.005","22.337","0.005","90","0.005","107.49","0.005","90","0.005","5113","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N10 S4 Zn -","- C50 H56 N10 S4 Zn -","- C200 H224 N40 S16 Zn4 -","4","0.5","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0911","0.0457","","","0.108","0.1298","","","","","","0.991","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231796","11.226","0.005","11.535","0.005","11.969","0.005","108.012","0.005","100.682","0.005","90.099","0.005","1445.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Hg N6 S3 -","- C26 H27 Hg N6 S3 -","- C52 H54 Hg2 N12 S6 -","2","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0457","0.0308","","","0.0752","0.0834","","","","","","1.035","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231797","3.8347","0.0009","7.258","0.0003","16.5477","0.0002","90","","90","","93.41","0.008","459.74","0.11","298","","298","","","","","","","","","5","P 1 1 21","P 2c","4","catena-dibromo-bis(3-cyanopyridine)manganat","catena-dibromo-(3-cyanopyridine)manganat","","- C6 H4 Br2 Mn N2 -","- C6 H4 Br2 Mn N2 -","- C12 H8 Br4 Mn2 N4 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00944","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:21",""
"7231798","10.9722","0.0009","10.9722","0.0009","10.46","0.0003","90","","90","","90","","1259.27","0.15","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","NiBr2(3cypy)4","- C24 H16 Br2 N8 Ni -","- C24 H16 Br2 N8 Ni -","- C48 H32 Br4 N16 Ni2 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0044","1.856","","","","","","","has coordinates","287932","2023-12-01","13:55:24",""
"7231799","3.757","0.001","13.625","0.001","13.868","0.007","87.377","0.002","82.344","0.002","82.405","0.001","697.1","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)cobaltat","beta-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231800","27.019","0.0016","7.1242","0.0009","3.7597","0.0005","90","","90","","90","","723.7","0.14","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)cobaltat","alpha-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231801","11.2178","0.0005","11.2178","0.0005","10.3309","0.0006","90","","90","","90","","1300.03","0.11","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)manganat","Dibromo-tetra(3-cyanopyridine)manganat","MnBr2(3-cypy)4","- C24 H16 Br2 Mn N8 -","- C24 H16 Br2 Mn N8 -","- C48 H32 Br4 Mn2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00933","1.04","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231802","27.30464","0.00039","7.221904","0.000094","3.829715","0.000043","90","","90","","90","","755.187","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-di(3-cyanopyridine)manganat","Catena-dibromo-di(3-cyanopyridine)manganat","","- C12 H8 Br2 Mn N4 -","- C12 H8 Br2 Mn N4 -","- C24 H16 Br4 Mn2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01039","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231803","3.709","0.001","26.801","0.004","13.706","0.008","90","","97.678","0.006","90","","1350.2","0.9","198","","198","","","","","","","","","5","C 1 c 1","C -2yc","9","Dibromo-bis(3-cyanopyridine)nickelat","alpha-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C48 H32 Br8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00446","1.825","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231804","11.0587","0.0004","11.0587","0.0004","10.4149","0.0005","90","","90","","90","","1273.69","0.09","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","CoBr2(3cypy)4","- C24 H16 Br2 Co N8 -","- C24 H16 Br2 Co N8 -","- C48 H32 Br4 Co2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01015","1.162","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231805","3.70154","0.00003","7.20487","0.00008","16.0004","0.00017","90","","90","","90","","426.716","0.007","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)nickel","catena-dibromo-(3-cyanopyridine)nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00547","1.282","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231806","27.128","0.005","7.1722","0.0014","3.7881","0.0006","90","","90","","90","","737","0.2","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)iron","Catena-dibromo-bis(3-cyanopyridine)iron","","- C12 H8 Br2 Fe N4 -","- C12 H8 Br2 Fe N4 -","- C24 H16 Br4 Fe2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01191","1.127","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231807","3.7274","0.0002","13.574","0.009","13.761","0.006","86.862","0.002","82.401","0.009","82.12","0.001","683.1","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)nickelat","beta-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00498","1.737","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231808","3.772","0.002","7.251","0.002","16.31","0.008","90","","90","","90","","446.1","0.3","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)ferrat","catena-dibromo-(3-cyanopyridine)ferrat","","- C6 H4 Br2 Fe N2 -","- C6 H4 Br2 Fe N2 -","- C12 H8 Br4 Fe2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01075","1.218","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231834","15.407","0.002","5.8843","0.0006","15.664","0.002","90","","114.753","0.018","90","","1289.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N3 O6 -","- C26 H33 N3 O6 -","- C52 H66 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.1038","0.0721","","","0.1949","0.2202","","","","","","1.029","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231835","4.96731","0.00012","19.4022","0.0005","12.4703","0.0003","90","","92.486","0.003","90","","1200.72","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.0377","0.0346","","","0.0996","0.1048","","","","","","0.608","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231836","19.4892","0.0005","21.6795","0.0005","10.5043","0.0003","90","","90","","90","","4438.2","0.2","100","2","100.03","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N4 O5 -","- C28 H18 N4 O5 -","- C224 H144 N32 O40 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0404","0.0379","","","0.1018","0.1043","","","","","","1.024","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231837","11.1935","0.0006","9.2331","0.0005","16.7061","0.0008","90","","94.587","0.002","90","","1721.06","0.15","100","2","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Cl2 N4 O7 Zn -","- C35 H34 Cl2 N4 O7 Zn -","- C70 H68 Cl4 N8 O14 Zn2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","x-ray","0.71073","MoKα","","0.0363","0.027","","","0.0734","0.0785","","","","","","1.059","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231838","9.8295","0.0005","10.6901","0.0005","13.3737","0.0007","98.589","0.002","94.244","0.002","97.801","0.002","1370.28","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 N4 O6 Zn -","- C26 H22 Cl4 N4 O6 Zn -","- C52 H44 Cl8 N8 O12 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.1146","0.0472","","","0.08","0.0946","","","","","","0.988","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231839","4.9197","0.0009","9.297","0.002","12.906","0.003","109.588","0.015","98.253","0.015","91.039","0.016","549","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.1767","0.0819","","","0.1742","0.2223","","","","","","0.964","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231840","10.8226","0.0004","23.0562","0.0008","10.5332","0.0003","90","","90","","90","","2628.33","0.15","100","2","100.01","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H19 Cl2 N5 O4 Zn -","- C28 H19 Cl2 N5 O4 Zn -","- C112 H76 Cl8 N20 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.0425","0.0351","","","0.0772","0.0794","","","","","","1.198","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231841","8.6209","0.0004","17.8581","0.0007","8.0036","0.0003","90","","90.903","0.003","90","","1232.02","0.09","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Ag F6 N4 O4 Sb -","- C26 H16 Ag F6 N4 O4 Sb -","- C52 H32 Ag2 F12 N8 O8 Sb2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0482","0.0362","","","0.0957","0.1055","","","","","","1.036","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231842","11.978","0.003","14.504","0.003","28.647","0.007","90","","90","","90","","4977","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 N5 O24 Pr2 -","- C36 H28 N4 O22 Pr2 -","- C144 H112 N16 O88 Pr8 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0556","0.0457","","","0.1448","0.1545","","","","","","1.05","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231843","12.0109","0.0011","14.1322","0.0012","28.639","0.003","90","","90","","90","","4861.2","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 Dy2 N5 O24 -","- C36 H30 Dy2 N4 O22 -","- C144 H120 Dy8 N16 O88 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0626","0.0453","","","0.1252","0.1334","","","","","","1.002","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231844","21.805","0.0006","12.6126","0.0004","16.2518","0.0005","90","","107.833","0.001","90","","4254.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl4 Cu Na O6 S4 -","- C36 H52 Cl4 Cu Na O6 S4 -","- C144 H208 Cl16 Cu4 Na4 O24 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0437","0.0344","","","0.0913","0.1087","","","","","","1.1","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231845","7.8265","0.0011","13.197","0.0014","44.68","0.007","90","","92.759","0.005","90","","4609.5","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AG35_LT","","","- C68 H46 Cl16 Cu8 N10 S16 -","- C68 H46 Cl16 Cu8 N10 S16 -","- C136 H92 Cl32 Cu16 N20 S32 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0942","0.0496","","","0.1128","0.1558","","","","","","1.051","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231846","26.295","0.004","3.9413","0.0007","17.479","0.003","90","","102.299","0.006","90","","1769.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG27","","","- C12 H4 Cl4 Cu O Rb S4 -","- C12 H4 Cl4 Cu O Rb S4 -","- C48 H16 Cl16 Cu4 O4 Rb4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0987","0.0424","","","0.0966","0.1501","","","","","","1.09","","","","has coordinates,has disorder","223600","2020-10-21","18:00:00",""
"7231847","26.2707","0.001","3.9461","0.0002","17.367","0.0007","90","","102.37","0.002","90","","1758.58","0.13","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG18_LT","","","- C12 H4 Cl4 Cu K O S4 -","- C12 H4 Cl4 Cu K O S4 -","- C48 H16 Cl16 Cu4 K4 O4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0592","0.0403","","","0.105","0.1366","","","","","","1.12","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231848","12.2137","0.0004","12.4992","0.0005","15.7574","0.0005","90","","109.812","0.002","90","","2263.16","0.14","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl4 Cu K O6 S4 -","- C36 H52 Cl4 Cu K O6 S4 -","- C72 H104 Cl8 Cu2 K2 O12 S8 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0955","0.0552","","","0.1588","0.2052","","","","","","1.047","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231849","12.85","0.004","18.906","0.006","61.98","0.03","90","","90","","90","","15058","10","293","2","293.15","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C32 H16 Cd N2 O10 -","- C32 H16 Cd N2 O8 -","- C512 H256 Cd16 N32 O128 -","16","","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0453","0.0313","","","0.0752","0.0797","","","","","","1.03","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231850","11.9979","0.0014","17.366","0.002","17.573","0.002","83.274","0.005","75.95","0.005","82.588","0.004","3508.2","0.7","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H45 N4 O22 Sr3 -","- C64 H45 N4 O22 Sr3 -","- C128 H90 N8 O44 Sr6 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.036","0.0293","","","0.0809","0.0847","","","","","","1.041","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231851","10.124","0.002","11.22","0.002","15.33","0.003","96.448","0.004","108.756","0.007","98.885","0.007","1604.5","0.5","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 Ce N2 O9 -","- C32 H19 Ce N2 O9 -","- C64 H38 Ce2 N4 O18 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0245","0.022","","","0.0731","0.0742","","","","","","1.226","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231852","9.9328","0.0007","11.8804","0.0009","14.8808","0.001","84.722","0.003","72.677","0.003","87.758","0.003","1669.1","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 N2 O8 Pb2 -","- C32 H16 N2 O8 Pb2 -","- C64 H32 N4 O16 Pb4 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0406","0.0282","","","0.0675","0.0729","","","","","","1.074","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231864","14.03","0.003","11.502","0.002","17.598","0.004","90","","102.18","0.03","90","","2775.9","1","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Al13 H53 O67 S3 -","- Al13 H25 O68 S3 -","- Al26 H50 O136 S6 -","2","1","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1585","0.127","","","0.2529","0.2845","","","","","","1.14","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231865","17.779","0.002","17.779","0.002","17.779","0.002","90","","90","","90","","5619.8","1.1","153","2","153","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Al13 H12 Na O70 S4 -","- Al13 H24 Na O70.0004 S4 -","- Al52 H96 Na4 O280.002 S16 -","4","0.0416667","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1148","0.1096","","","0.2274","0.2358","","","","","","1.321","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231881","10.593","0.0004","15.5318","0.0008","21.2702","0.0009","71.268","0.004","79.79","0.003","85.077","0.004","3260.1","0.3","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Eu2 N O20 -","- C61 H25 Eu2 N O20 -","- C122 H50 Eu4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0497","0.0433","","","0.1179","0.122","","","","","","1.103","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231882","10.5886","0.0003","15.1959","0.0006","21.2747","0.0008","71.86","0.003","79.293","0.003","82.292","0.003","3185.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H30 N O20 Tb2 -","- C61 H30 N O20 Tb2 -","- C122 H60 N2 O40 Tb4 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0467","0.0382","","","0.1007","0.1055","","","","","","1.056","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231883","10.5924","0.0002","15.1775","0.0005","21.2599","0.0006","71.994","0.003","79.331","0.002","82.276","0.002","3183.38","0.16","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Dy2 N O20 -","- C61 H25 Dy2 N O20 -","- C122 H50 Dy4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.058","0.0493","","","0.1351","0.1423","","","","","","1.053","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231884","10.604","0.0003","15.2602","0.0006","21.269","0.0008","71.882","0.004","79.392","0.003","82.535","0.003","3205.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H25 Gd2 N4 O22 -","- C61 H25 Gd2 N O20 -","- C122 H50 Gd4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.1066","0.0817","","","0.2342","0.2543","","","","","","1.105","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231885","14.8162","0.0009","14.5193","0.0009","16.0799","0.001","90","","109.266","0.001","90","","3265.4","0.3","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 -","- C6 H24 Cu Mo5 N6 O28.5 P2 -","- C24 H96 Cu4 Mo20 N24 O114 P8 -","4","1","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0178","0.0176","","","0.0456","0.0457","","","","","","0.983","","","","has coordinates","223739","2020-10-21","18:00:00",""
"7231886","28.685","0.012","18.298","0.008","18.24","0.008","90","","122.743","0.006","90","","8053","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H78 Cu4 Mo10 N12 O65 P4 -","- C12 H40 Cu4 Mo10 N12 O65 P4 -","- C48 H160 Cu16 Mo40 N48 O260 P16 -","4","0.5","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0345","0.0321","","","0.0877","0.0893","","","","","","1.037","","","","has coordinates,has disorder","223739","2020-10-21","18:00:00",""
"7231887","7.6961","0.00014","10.9153","0.0002","27.2368","0.0005","90","","96.1341","0.0007","90","","2274.93","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amodiaquine Dihydrochloride Dihydrate","4-[(7-chloro-4-quinolyl)amino]- 2-[(diethylamino)methyl] phenol dihydrochloride dihydrate.","","- C20 H28 Cl3 N3 O3 -","- C20 H28 Cl3 N3 O3 -","- C80 H112 Cl12 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation","CrystEngComm","2019","21","13","2053","","10.1039/C8CE01720D","","","1.54186","CuKα","","0.0484","0.0437","","","0.1102","0.1135","","","","","","1.087","","","","has coordinates","223635","2020-10-21","18:00:00",""
"7231888","26.744","0.002","3.866","0.0003","24.352","0.002","90","","90","","90","","2517.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0398","0.0353","","","0.0898","0.0937","","","","","","1.011","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231889","12.8319","0.0009","11.667","0.0008","9.5936","0.0007","90","","90","","90","","1436.26","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0356","0.0329","","","0.0862","0.0886","","","","","","1.049","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231890","7.6177","0.0005","6.5936","0.0004","22.5748","0.0014","90","","97.516","0.001","90","","1124.15","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0369","","","0.0955","0.0999","","","","","","1.035","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231891","3.9358","0.0005","15.944","0.002","20.68","0.003","90","","90.305","0.002","90","","1297.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0342","","","0.0843","0.0894","","","","","","1.033","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231892","10.1018","0.0005","11.3577","0.0005","21.6477","0.001","90","","98.4472","0.0007","90","","2456.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0423","0.0357","","","0.0902","0.0944","","","","","","1.034","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231901","7.1167","0.0004","7.2147","0.0003","13.2268","0.0004","81.973","0.003","99.788","0.004","117.046","0.004","594.55","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B K3 O13 Sb4 -","- B K3 O13 Sb4 -","- B2 K6 O26 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0533","0.0372","","","0.0713","0.076","","","","","","1.144","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231902","7.1593","0.0005","7.2533","0.0005","13.4894","0.0009","82.358","0.007","99.999","0.005","117.321","0.007","611.75","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B O13 Rb3 Sb4 -","- B O13 Rb3 Sb4 -","- B2 O26 Rb6 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0463","0.0337","","","0.0668","0.0712","","","","","","1.153","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231903","7.1456","0.0005","7.239","0.0008","13.4113","0.0007","82.058","0.007","100.051","0.006","117.205","0.005","606.16","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- B K0.99 O13 Rb2.01 Sb4 -","- B K0.985 O13 Rb2.015 Sb4 -","- B2 K1.97 O26 Rb4.03 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0423","0.0338","","","0.0748","0.0777","","","","","","1.217","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231905","5.6867","0.0003","5.6867","0.0003","5.6867","0.0003","90","","90","","90","","183.9","0.017","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Cl3 N Pb -","- C1.0008 Cl3 N1.0008 Pb -","- C1.0008 Cl3 N1.0008 Pb -","1","0.0208333","","Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh","Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method","CrystEngComm","2019","21","4","656","","10.1039/C8CE01939H","","","0.71073","MoKα","","0.0347","0.0347","","","0.0665","0.0665","","","","","","1.27","","","","has coordinates","223576","2020-10-21","18:00:00",""
"7231906","6.8028","0.0012","8.47","0.0015","11.01","0.002","73.643","0.005","87.812","0.005","75.045","0.005","587.69","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","1","0.5","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0684","0.0431","","","0.0783","0.0835","","","","","","1.049","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231907","7.889","0.0011","8.2289","0.0008","19.101","0.002","90","","96.213","0.004","90","","1232.7","0.2","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cu2 N6 O8 -","- C8 H5 Cu2 N6 O8 -","- C32 H20 Cu8 N24 O32 -","4","1","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0399","0.0306","","","0.0756","0.08","","","","","","1.033","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231908","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231909","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231912","15.8546","0.0003","11.2212","0.0002","19.1473","0.0004","90","","93.305","0.002","90","","3400.79","0.11","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 I2 N10 -","- C30 H40 Cu2 I2 N10 -","- C120 H160 Cu8 I8 N40 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","1.54184","CuKα","","0.0577","0.0475","","","0.1335","0.1429","","","","","","1.114","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231913","8.213","0.0007","10.6509","0.0007","24.483","0.002","90","","94.124","0.007","90","","2136.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AB96","","","- C16 H24 Cl2 Cu2 N6 O2 -","- C16 H24 Cl2 Cu2 N6 O2 -","- C64 H96 Cl8 Cu8 N24 O8 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","","0.71073","MoKα","","0.0765","0.0472","","","0.1004","0.1184","","","","","","1.06","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231914","8.9045","0.0004","14.2825","0.0004","12.8264","0.0007","90","","95.806","0.005","90","","1622.87","0.12","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br4 Cu4 N8 O4 -","- C24 H36 Br4 Cu4 N8 O4 -","- C48 H72 Br8 Cu8 N16 O8 -","2","0.5","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","0.71073","MoKα","","0.0463","0.0349","","","0.0867","0.0911","","","","","","1.016","","","","has coordinates,has disorder","223591","2020-10-21","18:00:00",""
"7231915","9.949","0.005","11.344","0.005","12.395","0.005","98.565","0.005","90.042","0.005","91.149","0.005","1383","1.1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N5 O7 -","- C29 H25 Cd N5 O7 -","- C58 H50 Cd2 N10 O14 -","2","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.1283","0.0527","","","0.0977","0.1266","","","","","","0.961","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231916","9.894","0.005","12.719","0.005","12.789","0.005","60.037","0.005","77.603","0.005","83.457","0.005","1361.7","1","298","1","298","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","1","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.0889","0.0617","","","0.1734","0.1893","","","","","","1.019","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231917","19.278","0.002","30.847","0.004","31.788","0.004","103.418","0.0015","99.2516","0.0015","95.3487","0.0015","17980","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Li O U -","- Li86.352 O783.222 U96 -","- Li86.352 O783.222 U96 -","1","0.5","","Traustason, H.; Aksenov, S. M.; Burns, P. C.","The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24","CrystEngComm","2019","21","3","390","","10.1039/C8CE01774C","","","1.5478","","","0.0742","0.0484","","","0.1467","0.1625","","","","","","1.075","","","","has coordinates","223741","2020-10-21","18:00:00",""
"7231918","8.8708","0.0018","15.609","0.003","18.593","0.004","90","","90.01","0.03","90","","2574.5","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0309","0.0304","","","0.0698","0.0702","","","","","","1.055","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231919","32.061","0.003","11.0501","0.0009","7.0657","0.0006","90","","93.859","0.003","90","","2497.5","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26.5 H38.5 N3 O3.75 -","- C26.5 H38.5 N3 O3.75 -","- C106 H154 N12 O15 -","4","1","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.1047","0.0619","","","0.123","0.1411","","","","","","1.016","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231920","9.6635","0.0003","23.495","0.0006","11.8249","0.0003","90","","113.761","0.001","90","","2457.19","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0328","0.032","","","0.0836","0.0846","","","","","","1.043","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231921","7.866","0.0005","11.3879","0.0008","29.2351","0.0017","90","","95.638","0.002","90","","2606.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H38 N2 O5 -","- C116 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0764","0.0511","","","0.1119","0.121","","","","","","0.972","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231922","30.935","0.004","3.8492","0.0005","13.9128","0.0019","90","","90","","90","","1656.7","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H3 N S3 -","- C8 H3 N S3 -","- C64 H24 N8 S24 -","8","2","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0416","0.0374","","","0.0811","0.0828","","","","","","1.047","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231923","9.4744","0.0011","15.4187","0.0017","26.876","0.003","90","","91.64","0.007","90","","3924.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 I3 N S6 -","- C13 H6 I3 N S6 -","- C104 H48 I24 N8 S48 -","8","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.1467","0.1289","","","0.277","0.2832","","","","","","1.199","","","","has coordinates,has disorder","223578","2020-10-21","18:00:00",""
"7231924","14.1394","0.0006","4.065","0.0001","24.6729","0.001","90","","90","","90","","1418.12","0.09","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 N S6 -","- C13 H7 N S6 -","- C52 H28 N4 S24 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0812","0.0829","","","","","","1.027","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231925","7.7442","0.0005","7.744","0.0005","26.3522","0.0016","81.877","0.002","83.912","0.002","65.73","0.002","1424.22","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N2 S12 -","- C26 H14 N2 S12 -","- C52 H28 N4 S24 -","2","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0655","0.0421","","","0.0937","0.1023","","","","","","0.976","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231926","3.8349","0.0002","14.8206","0.0006","13.7718","0.0005","90","","92.231","0.002","90","","782.13","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 N O S2 -","- C8 H3 N O S2 -","- C32 H12 N4 O4 S8 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1152","0.1222","","","","","","1.098","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231927","22.4236","0.0008","29.6641","0.0011","15.5246","0.0006","90","","90","","90","","10326.6","0.7","149","2","149","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C101 H86 Cu2 N5 O21 -","- C101 H86 Cu2 N5 O21 -","- C404 H344 Cu8 N20 O84 -","4","0.5","","Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation","CrystEngComm","2019","21","3","487","","10.1039/C8CE01791C","","","1.54178","CuKα","","0.1192","0.1099","","","0.2886","0.3169","","","","","","1.449","","","","has coordinates","223737","2020-10-21","18:00:00",""
"7231928","12.99","0.003","17.916","0.004","20.699","0.005","90","","106.068","0.003","90","","4629.1","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1152","0.095","","","0.3234","0.3381","","","","","","1.374","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231929","10.236","0.002","13.402","0.003","15.695","0.004","64.813","0.006","74.226","0.006","83.78","0.006","1874.9","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H36 O11 -","- C45 H36 O11 -","- C90 H72 O22 -","2","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1611","0.0702","","","0.1562","0.1963","","","","","","1.021","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231930","27.04","0.006","17.777","0.004","8.1345","0.0017","90","","90","","90","","3910.2","1.5","203","2","203","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H32 O10 -","- C44 H32 O10 -","- C176 H128 O40 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0906","0.0649","","","0.1833","0.1964","","","","","","1.076","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231931","22.73","0.02","26.88","0.02","28.36","0.04","90","","90","","90","","17327","3","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H52 O11 -","- C44 H52 O11 -","- C704 H832 O176 -","16","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0963","0.0755","","","0.2592","0.2927","","","","","","1.185","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231932","10.6822","0.0018","17.951","0.003","23.18","0.004","90","","95.295","0.003","90","","4425.9","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 O12 -","- C45 H52 O12 -","- C180 H208 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1457","0.0975","","","0.2736","0.3252","","","","","","1.083","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231933","10.6209","0.0014","17.125","0.002","22.296","0.003","90","","95.218","0.002","90","","4038.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42.25 H51 O13 -","- C42.25 H51 O13 -","- C169 H204 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1129","0.0869","","","0.2315","0.2495","","","","","","1.017","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231934","18.745","0.007","18.745","0.007","16.688","0.006","90","","90","","90","","5864","4","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64 H68 N4 O12 -","- C64 H68 N4 O12 -","- C256 H272 N16 O48 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0621","0.0468","","","0.1394","0.1486","","","","","","1.106","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231935","17.9565","0.0016","17.9565","0.0016","12.1543","0.0011","90","","90","","90","","3919","0.6","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0627","0.04","","","0.088","0.0958","","","","","","1","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231936","7.148","0.0002","9.283","0.0002","17.067","0.0006","105.716","0.0009","98.767","0.001","95.949","0.0014","1064.83","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0451","0.0382","","","0.0912","0.0951","","","","","","1.059","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231937","7.1653","0.0003","10.1441","0.0005","16.1968","0.001","86.971","0.004","82.27","0.004","71.257","0.004","1104.65","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 N2 O3 Re -","- C19 H12 Br Cl4 N2 O3 Re -","- C38 H24 Br2 Cl8 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.041","0.0353","","","0.0691","0.0722","","","","","","1.031","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231938","7.3756","0.0004","8.8914","0.0004","16.9636","0.001","98.004","0.004","90.442","0.005","105.113","0.004","1062.4","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C38 H24 Br4 Cl2 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0727","0.0527","","","0.1244","0.1355","","","","","","1.023","","","","has coordinates,has disorder","223521","2020-10-21","18:00:00",""
"7231939","7.36","0.0001","9.208","0.0003","16.59","0.0005","101.508","0.001","94.97","0.002","98.653","0.002","1081.25","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C38 H24 Br2 Cl4 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0331","0.027","","","0.077","0.093","","","","","","1.261","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231940","7.121","0.0001","33.788","0.0007","9.478","0.0002","90","","96.024","0.0008","90","","2267.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl5 N2 O3 Re -","- C19 H12 Cl5 N2 O3 Re -","- C76 H48 Cl20 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0618","0.0336","","","0.0532","0.0596","","","","","","1.012","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231941","15.453","0.0005","7.073","0.0002","23.529","0.0008","90","","126.135","0.0011","90","","2076.98","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C76 H48 Cl12 F8 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0671","0.0435","","","0.0957","0.1081","","","","","","1.03","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231942","7.3006","0.0005","11.598","0.0007","12.6789","0.0008","104.105","0.005","97.855","0.005","96.998","0.005","1017.88","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0361","0.0321","","","0.0556","0.0583","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231943","7.2547","0.0004","26.904","0.0016","12.6293","0.0007","90","","93.127","0.006","90","","2461.3","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0442","0.0331","","","0.0542","0.0571","","","","","","1.098","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231944","9.6938","0.0001","12.9012","0.0002","22.2519","0.0003","90","","91.119","0.001","90","","2782.33","0.06","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0619","0.0379","","","0.0848","0.0918","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231945","14.5589","0.0003","13.8558","0.0003","23.7553","0.0004","90","","101.602","0.002","90","","4694.13","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 I6 N2 Pt2 -","- C32 H72 I6 N2 Pt2 -","- C128 H288 I24 N8 Pt8 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0299","0.0219","","","0.0385","0.0406","","","","","","1.046","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231946","9.3533","0.0005","12.0866","0.0007","14.5096","0.0006","80.144","0.004","75.835","0.004","78.965","0.005","1547.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F5 I4 N Pt -","- C22 H36 F5 I4 N Pt -","- C44 H72 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0424","0.0321","","","0.0729","0.0792","","","","","","1.047","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231962","9.5969","0.0007","10.9992","0.0012","14.5293","0.0012","87.894","0.012","72.005","0.009","75.7836","0.001","1412.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.037","0.0246","","","0.0546","0.0577","","","","","","0.937","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231963","9.822","0.003","10.107","0.004","12.444","0.004","85.67","0.03","86.14","0.03","78.71","0.03","1206.2","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.1852","0.0622","","","0.1257","0.1874","","","","","","0.948","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231964","12.4487","0.0007","14.0216","0.0008","17.0849","0.0009","112.276","0.0014","93.2135","0.0015","105.097","0.0015","2624.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Mo8 N6 Na O32 -","- C30 H45 Mo8 N6 Na O32 -","- C60 H90 Mo16 N12 Na2 O64 -","2","1","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.0998","0.0768","","","0.1602","0.1742","","","","","","1.07","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231965","7.31144","0.00016","9.2985","0.0002","12.3778","0.0002","89.7413","0.0017","88.0129","0.0017","70.786","0.002","794.14","0.03","150","1","150","1","","","","","","","","3","P 1","P 1","1","","","","- C37 H52 O5 -","- C37 H52 O5 -","- C37 H52 O5 -","1","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0254","0.0254","","","0.0739","0.0739","","","","","","1.051","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231966","6.58547","0.00006","23.9331","0.0003","12.23603","0.00011","90","","90","","90","","1928.53","0.03","149.98","0.1","149.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Propanol Solvate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0975","0.0989","","","","","","1.03","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231967","6.41117","0.00007","12.19725","0.00013","37.9575","0.0004","90","","90","","90","","2968.23","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Anhydrate","","- C36 H48 O4 -","- C36 H48 O4 -","- C144 H192 O16 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.1003","0.1015","","","","","","1.073","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231968","6.98287","0.00007","13.56289","0.00014","18.1895","0.0002","90","","90","","90","","1722.69","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Acetontrile Solvate","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0938","0.0956","","","","","","1.05","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231969","6.54127","0.00008","12.05549","0.00014","19.2527","0.0002","90","","90","","90","","1518.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","Estradiol Hemihydrate","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0374","0.0372","","","0.1007","0.101","","","","","","1.062","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231971","17.386","0.004","23.565","0.006","45.325","0.011","90","","90","","90","","18570","8","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C192 H104 Co4 Mo96 N16 O356 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0677","0.0495","","","0.1228","0.1398","","","","","","1.12","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231972","9.4039","0.0019","7.8696","0.0016","9.4732","0.0019","90","","90","","90","","701.1","0.2","153","2","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 O4 -","- C2 H2 N8 O4 -","- C8 H8 N32 O16 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.064","0.0606","","","0.1389","0.1402","","","","","","1.23","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231973","8.8499","0.0018","12.469","0.003","6.0807","0.0012","90","","129.15","0.03","90","","520.4","0.3","153","2","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H6 N8 Na2 O7 -","- C2 H6 N8 Na2 O7 -","- C4 H12 N16 Na4 O14 -","2","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0205","0.0205","","","0.0545","0.0545","","","","","","1.067","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231974","6.1408","0.0012","14.773","0.003","11.457","0.002","90","","100.56","0.03","90","","1021.8","0.4","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Li2 N8 O8 -","- C2 H8 Li2 N8 O8 -","- C8 H32 Li8 N32 O32 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0307","0.0303","","","0.0762","0.0764","","","","","","1.083","","","","has coordinates,has disorder","223583","2020-10-21","18:00:00",""
"7231975","9.1059","0.0018","11.496","0.002","9.1102","0.0018","90","","110.86","0.03","90","","891.2","0.3","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 N8 O4 Rb2 -","- C2 N8 O4 Rb2 -","- C8 N32 O16 Rb8 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0513","0.0442","","","0.0984","0.1042","","","","","","1.237","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231976","24.506","0.005","8.0284","0.0016","4.7044","0.0009","90","","90","","90","","925.6","0.3","153","2","153.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H2 K2 N8 O5 -","- C2 H2 K2 N8 O5 -","- C8 H8 K8 N32 O20 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.036","0.0356","","","0.0881","0.0884","","","","","","1.166","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231977","5.3925","0.0011","7.3559","0.0015","7.4275","0.0015","61.64","0.03","87.56","0.03","69.5","0.03","240.09","0.13","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","1","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0398","0.0394","","","0.0966","0.097","","","","","","1.085","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231978","17.352","0.005","23.578","0.007","45.26","0.013","90","","90","","90","","18517","9","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C192 H96 Mo96 N16 Ni4 O352 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.1517","0.1238","","","0.2686","0.2888","","","","","","1.147","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231979","11.7153","0.0005","7.8003","0.0003","23.8533","0.001","90","","96.471","0.001","90","","2165.9","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O9 Pb2 -","- C44 H40 N6 O9 Pb2 -","- C88 H80 N12 O18 Pb4 -","2","0.5","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.078","0.0692","","","0.1892","0.2051","","","","","","1.004","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231980","19.4892","0.0011","16.7208","0.001","19.5898","0.0016","90","","119.827","0.001","90","","5538.2","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H58 N10 O10 Zn2 -","- C60 H58 N10 O10 Zn2 -","- C240 H232 N40 O40 Zn8 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.1191","0.0747","","","0.1531","0.1849","","","","","","1.066","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231981","10.1766","0.0004","18.0574","0.0008","15.0263","0.0006","90","","108.487","0.001","90","","2618.78","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N5 O5 Zn -","- C28 H25 N5 O5 Zn -","- C112 H100 N20 O20 Zn4 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.0624","0.0438","","","0.1085","0.1188","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231982","22.0684","0.0009","17.0982","0.0007","14.8533","0.0006","90","","104.666","0.001","90","","5422","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Cd2 N10 O10 -","- C56 H50 Cd2 N10 O10 -","- C224 H200 Cd8 N40 O40 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.069","0.054","","","0.1565","0.1695","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231983","21.6439","0.0009","12.7102","0.0005","22.4458","0.0009","90","","111.555","0.005","90","","5743","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H80 Ge2 O120 W20 Zr4 -","- C4 H4 Ge2 O106 W20 Zr4 -","- C8 H8 Ge4 O212 W40 Zr8 -","2","0.5","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.1312","0.0922","","","0.2202","0.2508","","","","","","1.089","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231984","21.3684","0.0007","12.7595","0.0004","22.3975","0.0008","90","","109.631","0.004","90","","5751.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H72 Ge2 K2 O112 W20 Zr4 -","- C4 H2 Ge2 K2 O99 W20 Zr4 -","- C8 H4 Ge4 K4 O198 W40 Zr8 -","2","1","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.0821","0.0612","","","0.1664","0.1809","","","","","","1","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231985","13.638","0.003","13.638","0.003","11.428","0.003","90","","90","","90","","2125.6","0.9","296.15","","296.15","","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H4 Cu3 N16 Na O4 -","- C8 H4 Cu3 N16 Na O4 -","- C32 H16 Cu12 N64 Na4 O16 -","4","","","Lu, Jack; Zhang, Sheng; Wu, Shuo; Zhang, Wendou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","A 3D solvent-free energetic metal-organic framework (EMOF) achieved by removing inclusion molecules from a new coordination polymer","CrystEngComm","2018","","","","","10.1039/C8CE01803K","","","0.71073","MoKα","","0.0764","0.0534","","","0.1657","0.1803","","","","","","1.16","","","","has coordinates","212561","2020-10-21","18:00:00",""
"7231986","15.397","0.009","15.921","0.009","6.253","0.004","90","","90","","90","","1532.8","1.6","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C68 H60 Co2 N8 O16 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0349","0.0317","","","0.0856","0.0956","","","","","","1.133","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231987","8.0284","0.0014","25.322","0.005","11.209","0.002","90","","102.068","0.003","90","","2228.4","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Co N4 O5 -","- C22 H26 Co N4 O5 -","- C88 H104 Co4 N16 O20 -","4","1","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0726","0.0532","","","0.154","0.1658","","","","","","1.066","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231988","14.6544","0.0017","9.5892","0.0011","18.448","0.002","90","","97.01","0.002","90","","2573","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N6 O14 -","- C48 H46 Co3 N6 O14 -","- C96 H92 Co6 N12 O28 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.045","0.0353","","","0.1016","0.1118","","","","","","1.071","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231989","11.0222","0.0014","15.1754","0.0019","19.331","0.003","90","","100.256","0.004","90","","3181.8","0.8","353","","353","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt bis(N,N-dimethylformamide)","","- C24 H19 Co1.5 N O7 -","- C24 H19 Co1.5 N O7 -","- C96 H76 Co6 N4 O28 -","4","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0508","0.0395","","","0.0892","0.0937","","","","","","1.033","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7231990","13.1391","0.0007","13.3582","0.0006","19.7524","0.001","90","","106.272","0.002","90","","3328","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate","","- C63 H73 Co3 N7 O19 -","- C63 H73 Co3 N7 O19 -","- C126 H146 Co6 N14 O38 -","2","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0342","0.0268","","","0.0601","0.0635","","","","","","1.025","","","","has coordinates","223544","2020-10-21","18:00:00",""
"7231991","17.1291","0.0004","21.8862","0.0005","26.2493","0.0007","90","","90","","90","","9840.6","0.4","258","","258","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C42 H24 Co4 O13 -","- C42.438 H24 Co4 O13 -","- C169.752 H96 Co16 O52 -","4","0.5","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.7","Synchrotron","","0.1212","0.1119","","","0.3473","0.3705","","","","","","1.142","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7232009","7.3687","0.0002","16.4706","0.0004","13.862","0.0004","90","","97.054","0.003","90","","1669.65","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C32 H48 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0354","0.0276","","","0.0572","0.0595","","","","","","1.173","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232010","8.4645","0.0004","13.0802","0.0006","13.1574","0.0006","90","","105.702","0.005","90","","1402.39","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0427","0.0313","","","0.0516","0.0545","","","","","","1.016","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232011","7.4277","0.0005","14.1293","0.0008","16.7699","0.0007","90","","90","","90","","1759.97","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0829","0.0674","","","0.1544","0.1685","","","","","","1.048","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232012","9.947","0.0003","11.5017","0.0003","16.4632","0.0005","90","","107.201","0.003","90","","1799.27","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0303","0.022","","","0.0425","0.0446","","","","","","1.024","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232013","7.2611","0.0008","9.0862","0.001","11.1895","0.0009","67.617","0.009","87.457","0.008","72.163","0.01","647.61","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0678","0.0531","","","0.1248","0.1371","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232014","8.6483","0.0004","15.1885","0.0009","13.352","0.0005","90","","98.887","0.004","90","","1732.79","0.15","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br11 N2 Sb -","- C24 H22 Br11 N2 Sb -","- C48 H44 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0446","0.0301","","","0.0551","0.0597","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232015","7.3255","0.0004","20.6666","0.001","16.5665","0.0007","90","","95.627","0.004","90","","2496","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br11 N2 Sb -","- C10 H10 Br11 N2 Sb -","- C40 H40 Br44 N8 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.1342","0.0906","","","0.231","0.2655","","","","","","1.086","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232016","7.2472","0.0003","9.4088","0.0005","11.5541","0.0005","69.263","0.004","81.162","0.004","71.303","0.004","697.2","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0449","0.0338","","","0.0615","0.0662","","","","","","0.991","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232017","8.9834","0.0004","10.2599","0.0005","10.3601","0.0005","94.223","0.004","102.737","0.004","111.846","0.004","851.62","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0469","0.0329","","","0.0539","0.059","","","","","","1.021","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232018","8.18","0.0005","12.9394","0.0008","12.5865","0.0007","90","","105.412","0.007","90","","1284.3","0.14","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br9 I2 N2 Sb -","- C10 H10 Br9 I2 N2 Sb -","- C20 H20 Br18 I4 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0546","0.0407","","","0.0769","0.0829","","","","","","1.017","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232019","8.4041","0.0009","13.3407","0.0016","12.2371","0.0011","90","","95.731","0.009","90","","1365.1","0.3","130","2","130","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C12 H14 Br11 N2 Sb -","- C12 H14 Br11 N2 Sb -","- C24 H28 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0573","0.0555","","","0.1514","0.1539","","","","","","1.044","","","","has coordinates,has disorder","223549","2020-10-21","18:00:00",""
"7232020","39.377","","43.654","","38.551","","90","","90","","90","","66267.8","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 Co6 N18 O30 -","- C108 H72 Co6 N18 O30 -","- C1728 H1152 Co96 N288 O480 -","16","1","","Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping","Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size","CrystEngComm","2019","21","10","1564","","10.1039/C8CE01942H","","","0.71073","MoKα","","0.0687","0.0489","","","0.1344","0.1484","","","","","","1.001","","","","has coordinates","223488","2020-10-21","18:00:00",""
"7232027","11.557","0.0004","4.03422","0.00016","27.4354","0.0015","90","","95.906","0.004","90","","1272.34","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Paikar, Arpita; Podder, Debasish; Chowdhury, Srayoshi Roy; Sasmal, Supriya; Haldar, Debasish","Bromine‒bromine interactions enhanced plasticity for the bending of a single crystal without affecting fluorescent properties","CrystEngComm","2019","21","4","589","","10.1039/C8CE02086H","","x-ray","0.71073","MoKα","","0.0448","0.0393","","","0.0846","0.0866","","","","","","1.27","","","","has coordinates","223580","2020-10-21","18:00:00",""
"7232030","7.9313","0.0008","13.313","0.002","11.6544","0.0017","90","","104.509","0.012","90","","1191.3","0.3","295","","295","","0.108","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.815","0.861","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232031","7.7929","0.0005","13.2989","0.0018","11.5902","0.0013","90","","104.082","0.008","90","","1165.1","0.2","295","","295","","0.237","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.299","0.875","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232032","7.592","0.0004","13.2615","0.0014","11.4988","0.0012","90","","103.49","0.008","90","","1125.77","0.18","295","","295","","0.563","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.818","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232033","7.4909","0.0004","13.2386","0.0014","11.4562","0.0011","90","","103.241","0.007","90","","1105.9","0.17","295","","295","","0.767","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.233","0.824","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232034","7.8517","0.0005","13.3034","0.0017","11.6174","0.0011","90","","104.251","0.008","90","","1176.1","0.2","295","","295","","0.171","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.454","0.852","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232035","7.6938","0.0005","13.2818","0.0016","11.5506","0.0012","90","","103.783","0.006","90","","1146.3","0.2","295","","295","","0.382","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.198","0.814","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232036","7.2068","0.0006","13.153","0.002","11.3365","0.0016","90","","102.812","0.011","90","","1047.8","0.2","295","","295","","1.63","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.147","0.834","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232037","7.4126","0.0004","13.2122","0.0015","11.4253","0.0011","90","","103.122","0.008","90","","1089.74","0.18","295","","295","","0.975","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.777","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232038","6.9954","0.0005","13.0631","0.0018","11.2417","0.0013","90","","102.703","0.009","90","","1002.1","0.2","295","","295","","2.628","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.558","1.063","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232039","7.8566","0.0004","13.3005","0.0015","11.6219","0.001","90","","104.253","0.007","90","","1177.07","0.18","295","","295","","0.152","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.331","0.87","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232040","6.8305","0.0005","12.9782","0.0018","11.1656","0.0013","90","","102.712","0.008","90","","965.54","0.19","295","","295","","3.751","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.09","1.04","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232041","6.6919","0.0005","12.9085","0.0017","11.0915","0.0013","90","","102.807","0.009","90","","934.27","0.18","295","","295","","5.01","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","0.968","0.925","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232042","6.9097","0.0005","13.022","0.002","11.1993","0.0015","90","","102.719","0.008","90","","983","0.2","295","","295","","3.186","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.132","0.858","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232043","6.6153","0.0005","12.8677","0.0016","11.0478","0.0012","90","","102.898","0.008","90","","916.7","0.17","295","","295","","5.842","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.105","1.002","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232044","8.011","0.003","13.395","0.003","11.726","0.004","90","","104.759","0.019","90","","1216.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0686","0.0686","","","0.1749","0.1749","","","","","","1.463","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232045","7.765","0.003","13.283","0.003","11.615","0.004","90","","104.14","0.019","90","","1161.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9.009 N3 O2 S -","- C48 H36.036 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0673","0.0673","","","0.1795","0.1795","","","","","","1.498","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232046","7.713","0.002","13.271","0.003","11.611","0.004","90","","104.004","0.019","90","","1153.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0701","0.0701","","","0.1881","0.1881","","","","","","1.549","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232047","7.651","0.002","13.243","0.003","11.624","0.004","90","","104.118","0.019","90","","1142.2","0.6","40","2","166","13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.069","0.069","","","0.1795","0.1795","","","","","","1.448","","","","has coordinates","295944","2024-11-15","19:31:16",""
"7232048","7.67","0.002","13.254","0.003","11.618","0.004","90","","104.066","0.018","90","","1145.7","0.6","60","2","60","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0718","0.0718","","","0.1909","0.1909","","","","","","1.551","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232049","11.4105","0.0006","13.539","0.0007","15.3325","0.0008","88.783","0.004","68.821","0.005","68.65","0.005","2040.5","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0616","0.0411","","","0.074","0.0833","","","","","","1.026","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232050","11.3766","0.0007","13.5678","0.0009","15.2994","0.0011","89.045","0.006","68.623","0.007","69.011","0.006","2035.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0695","0.0452","","","0.0758","0.0865","","","","","","1.024","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232051","11.4004","0.001","13.5367","0.0012","15.3073","0.0013","88.899","0.007","68.79","0.008","68.798","0.008","2036.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0647","0.0438","","","0.0791","0.0906","","","","","","1.039","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232052","9.888","0.0012","7.9929","0.0009","15.162","0.0018","90","","90","","90","","1198.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isonicotinamide","4-pyridinecarboxamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Vicatos, Alexios I.; Caira, Mino R.","A new polymorph of the common coformer isonicotinamide","CrystEngComm","2019","21","5","843","","10.1039/C8CE01588K","","","0.71073","MoKα","","0.0564","0.0532","","","0.1414","0.1455","","","","","","1.035","","","","has coordinates","223547","2020-10-21","18:00:00",""
"7232053","8.595","0.007","4.645","0.004","22.624","0.018","90","","91.293","0.018","90","","903","1.3","149.61","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.236","0.0936","","","0.1552","0.2091","","","","","","0.991","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7232054","13.5266","0.0018","10.2411","0.0014","13.4172","0.0017","90","","116.838","0.004","90","","1658.4","0.4","149.15","","149.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0815","0.0472","","","0.1134","0.136","","","","","","1.059","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232055","6.018","0.0007","7.393","0.0009","9.3115","0.001","77.213","0.007","82.358","0.007","86.071","0.008","400.09","0.08","149.61","","149.61","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C16 H14 N6 O6 -","2","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.1179","0.0583","","","0.1212","0.145","","","","","","1.035","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7232056","9.3151","0.0003","4.9197","0.0002","16.7332","0.0006","90","","95.356","0.001","90","","763.49","0.05","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0413","0.0385","","","0.0959","0.0983","","","","","","1.038","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7232057","4.669","0.005","8.554","0.008","28.15","0.03","90","","90","","90","","1124","2","149.59","","149.59","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.087","0.0634","","","0.1382","0.1478","","","","","","1.058","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232058","13.073","0.006","4.901","0.002","16.934","0.008","90","","106.837","0.013","90","","1038.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C40 H44 N12 O16 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.149","0.088","","","0.1681","0.1914","","","","","","1.043","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232059","9.9817","0.0012","6.6498","0.0008","15.4052","0.0018","90","","90","","90","","1022.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0444","0.0388","","","0.1038","0.109","","","","","","1.111","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232060","6.1954","0.0013","9.278","0.002","9.776","0.002","90","","91.993","0.006","90","","561.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C12 H4 N28 O4 -","2","0.5","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0652","0.0622","","","0.1858","0.1884","","","","","","1.188","","","","has coordinates","223551","2020-10-21","18:00:00",""
"7232061","5.7955","0.0012","9.7961","0.0019","19.767","0.004","90","","92.904","0.007","90","","1120.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C24 H8 N56 O8 -","4","1","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0653","0.0507","","","0.1296","0.1381","","","","","","1.046","","","","has coordinates","223551","2020-10-21","18:00:00",""
"7232062","12.452","0.0005","13.7523","0.0006","25.1444","0.0009","91.559","0.001","95.731","0.001","102.126","0.001","4183.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 F18 N16 Ni4 O26 S6 -","- C62 H40 F18 N16 Ni4 O26 S6 -","- C124 H80 F36 N32 Ni8 O52 S12 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0616","0.047","","","0.14","0.1528","","","","","","1.024","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232063","12.3939","0.0006","26.0105","0.0012","26.2478","0.0013","112.794","0.0015","95.4248","0.0017","97.6923","0.0018","7630.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H118 Cl12 N32 Ni8 O69 -","- C112 H80 Cl12 N32 Ni8 O69 -","- C224 H160 Cl24 N64 Ni16 O138 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1088","0.0603","","","0.1418","0.1685","","","","","","1.03","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232064","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N22 Ni4 O36 -","- C112 H80 N44 Ni8 O72 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1257","0.1095","","","0.2901","0.3103","","","","","","1.048","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232065","12.4085","0.0004","23.2955","0.0008","28.0056","0.0009","86.006","0.002","81.19","0.002","83.687","0.002","7939.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cl10 N32 Ni8 O62 -","- C120 H104 Cl10.0001 N32 Ni8 O61.9996 -","- C240 H208 Cl20.0002 N64 Ni16 O123.999 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0744","0.0591","","","0.1711","0.1863","","","","","","1.042","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232066","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N16 Ni4 O4 -","- C112 H80 N32 Ni8 O8 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.08","0.0712","","","0.2078","0.2149","","","","","","1.104","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232067","27.5506","0.0015","13.4067","0.0007","22.7853","0.0012","90","","98.378","0.001","90","","8326.2","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C48 H428 Al8 Cu12 Mo48 N48 O286 -","2","0.25","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0399","0.0277","","","0.0575","0.0608","","","","","","1.053","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232068","8.2068","0.0005","21.0385","0.0013","24.5141","0.0015","90","","96.205","0.001","90","","4207.8","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Cr Cu Mo6 N12 O31 -","- C12 H34 Cr Cu Mo6 N12 O31 -","- C48 H136 Cr4 Cu4 Mo24 N48 O124 -","4","1","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0864","0.044","","","0.0818","0.096","","","","","","0.988","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232069","11.5188","0.0005","5.9468","0.0003","21.01","0.001","90","","99.854","0.001","90","","1417.95","0.12","296","2","296.15","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C14 H40 Cr2 Cu4 K2 Mo12 N12 O52 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0292","0.0249","","","0.0615","0.0631","","","","","","1.085","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232070","27.6717","0.0016","13.4767","0.0008","22.8522","0.0013","90","","98.44","0.001","90","","8429.8","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C48 H428 Cr8 Cu12 Mo48 N48 O286 -","4","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0599","0.0358","","","0.0754","0.0838","","","","","","0.979","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232071","16.1041","0.0011","11.6957","0.0008","27.93","0.002","90","","95.28","0.002","90","","5238.3","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C28 H196 Cd6 Cr6 Mo36 N24 O204 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1186","0.0734","","","0.2085","0.2391","","","","","","1.04","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232072","6.4672","0.0016","10.482","0.003","13.154","0.003","87.291","0.003","85.271","0.005","84.015","0.005","883.1","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1103","0.0512","","","0.112","0.1289","","","","","","0.959","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232073","6.4711","0.0003","15.2046","0.0006","16.6977","0.0007","96.961","0.001","99.683","0.001","98.53","0.001","1583.48","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0218","0.0195","","","0.0464","0.0474","","","","","","1.11","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232074","7.5577","0.0004","9.998","0.0005","12.26","0.0006","75.432","0.001","79.59","0.001","69.491","0.001","835.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O6 -","- C14 H11 Cd N O6 -","- C28 H22 Cd2 N2 O12 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0244","0.0217","","","0.0652","0.0663","","","","","","1.078","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232075","8.1208","0.0016","10.241","0.002","12.376","0.003","106.79","0.03","99.48","0.03","104.1","0.03","924.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cd N2 O7 -","- C19 H15 Cd N2 O7 -","- C38 H30 Cd2 N4 O14 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0688","0.0497","","","0.098","0.1058","","","","","","1.033","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232076","7.6825","0.0004","10.0737","0.0004","13.2714","0.0006","70.544","0.001","89.008","0.002","74.231","0.002","928.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cd N O9 -","- C18 H16 Cd N O9 -","- C36 H32 Cd2 N2 O18 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.1312","0.0618","","","0.0849","0.0996","","","","","","1.013","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232077","5.6109","0.0006","14.914","0.0018","20.848","0.003","90","","96.566","0.006","90","","1733.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N6 O5 -","- C15 H14 F2 N6 O5 -","- C60 H56 F8 N24 O20 -","4","1","","Owoyemi, Bolaji C. Dayo; da Silva, Cecilia C. P.; Diniz, Luan F.; Souza, Matheus S.; Ellena, Javier; Carneiro, Renato L.","Fluconazolium oxalate: synthesis and structural characterization of a highly soluble crystalline form","CrystEngComm","2019","21","7","1114","","10.1039/C8CE01729H","","","0.71073","MoKα","","0.1326","0.0551","","","0.128","0.1581","","","","","","1.047","","","","has coordinates,has disorder","223653","2020-10-21","18:00:00",""
"7232078","17.96","0.004","12.903","0.002","24.414","0.004","90","","127.047","0.011","90","","4515.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Cd3 N6 O17 -","- C48 H38 Cd3 N6 O17 -","- C192 H152 Cd12 N24 O68 -","4","1","","Gao, Wei; Liu, Feng; Pan, Chang-Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","A stable anionic metal‒organic framework with open coordinated sites: selective separation toward cationic dyes and sensing properties","CrystEngComm","2019","21","7","1159","","10.1039/C8CE02060D","","","0.71073","MoKα","","0.0883","0.0453","","","0.0893","0.1056","","","","","","1.012","","","","has coordinates","223655","2020-10-21","18:00:00",""
"7232079","4.4913","0.0009","10.893","0.002","12.672","0.003","106.87","0.03","99.66","0.03","92.3","0.03","582.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 N4 O8 P -","- C6 H9 N4 O8 P -","- C12 H18 N8 O16 P2 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.033","0.0298","","","0.0789","0.0812","","","","","","1.036","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232080","4.2098","0.0005","6.9632","0.0009","14.2021","0.0018","90","","92.36","0.003","90","","415.96","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0397","0.0331","","","0.077","0.0806","","","","","","1.038","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232081","7.9863","0.0016","14.566","0.003","16.208","0.003","77.88","0.03","80.9","0.03","87.87","0.03","1820.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N16 O21 -","- C24 H27 Cl N16 O21 -","- C48 H54 Cl2 N32 O42 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0987","0.0527","","","0.1198","0.1408","","","","","","0.964","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232082","13.4449","0.0014","7.8221","0.0009","7.8587","0.0009","90","","103.134","0.003","90","","804.86","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0423","0.0333","","","0.0826","0.0892","","","","","","1.047","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232083","15.801","0.003","12.931","0.003","24.475","0.005","90","","90.04","0.03","90","","5000.8","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C144 H192 N64 O96 -","16","4","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0941","0.0473","","","0.1037","0.1264","","","","","","1.01","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232084","6.5991","0.0006","10.8137","0.001","15.2509","0.0012","84.753","0.003","81.706","0.003","74.843","0.003","1037.82","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N20 O11 Pb2 -","- C4 H14 N20 O11 Pb2 -","- C8 H28 N40 O22 Pb4 -","2","1","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.1061","0.0543","","","0.0853","0.0974","","","","","","1.03","","","","has coordinates,has disorder","223597","2020-10-21","18:00:00",""
"7232085","11.4741","0.0012","17.026","0.002","5.9443","0.0006","90","","90","","90","","1161.3","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H6 N10 O6 Pb2 -","- C2 H6 N10 O6 Pb2 -","- C8 H24 N40 O24 Pb8 -","4","0.5","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.0755","0.0382","","","0.0813","0.0923","","","","","","1.059","","","","has coordinates","223597","2020-10-21","18:00:00",""
"7232086","14.073","0.0006","6.8273","0.0004","12.0491","0.0007","90","","90","","90","","1157.68","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","0.5","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.064","0.0538","","","0.1367","0.1437","","","","","","1.11","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232087","12.4248","0.0005","22.9673","0.0007","9.8566","0.0004","90","","112.446","0.005","90","","2599.63","0.19","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(tert-butyl)-2-methyl-2H-naphtho[1,8-bc]furan-2-ol","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0832","0.0611","","","0.1344","0.145","","","","","","1.053","","","","has coordinates,has disorder","223595","2020-10-21","18:00:00",""
"7232088","8.2578","0.0004","10.5748","0.0005","23.1819","0.0012","99.596","0.004","91.72","0.004","104.122","0.004","1930.4","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylguanidinium 8-benzoylnaphth-1-oate","","- C22 H25.1 N3 O2.05 -","- C22 H25.1 N3 O2.05 -","- C88 H100.4 N12 O8.2 -","4","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0952","0.067","","","0.1155","0.1258","","","","","","1.128","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232089","17.3065","0.0005","17.6303","0.0004","8.0817","0.0002","90","","90","","90","","2465.88","0.11","110","2","110","2","","","","","","","","3","I b a 2","I 2 -2c","45","","8-Benzoyl-naphth-1-ol","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0351","0.0331","","","0.0782","0.0791","","","","","","1.056","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232090","9.9122","0.0002","13.8433","0.0003","13.9018","0.0003","90","","90","","90","","1907.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-Acetylnaphth-1-ol","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0506","0.0418","","","0.0908","0.0953","","","","","","1.022","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232091","15.1117","0.0006","15.6707","0.0007","16.4672","0.0007","80.552","0.004","69.591","0.004","61.179","0.004","3202.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","bis(dimethylamino)methaniminium 8-acetylnaphthalen-1-olate","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C136 H184 N24 O16 -","8","4","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0885","0.0555","","","0.1127","0.1289","","","","","","1.05","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232092","27.588","0.004","8.2227","0.0004","19.874","0.003","90","","132.66","0.03","90","","3315.4","1.8","149.97","0.12","149.97","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)pyridine 1-(8'-hydroxynaphthalen-1'-yl)ethanonemolecular complex","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1238","0.0722","","","0.1293","0.1505","","","","","","1.095","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232093","10.1265","0.0011","25.804","0.003","7.9261","0.0007","90","","105.497","0.01","90","","1995.8","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)pyridine 1-(2'-t-butyl-8'-hydroxylnaphthalen-1'-yl)ethanonemolecular complex","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1251","0.0691","","","0.1188","0.1373","","","","","","1.027","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232094","10.8607","0.0007","8.0882","0.0005","15.3629","0.0009","90","","100.51","0.005","90","","1326.89","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-2-cyano-3-(1-hydroxynaphthalen-8-yl)acrylate","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0695","0.0553","","","0.1163","0.1235","","","","","","1.101","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232095","9.9169","0.0005","7.4879","0.0002","15.8768","0.0006","90","","108.096","0.005","90","","1120.65","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((8'-hydroxynaphthalen-1'-yl)methylene)malononitrile","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0729","0.0527","","","0.1017","0.1102","","","","","","1.098","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232096","8.4313","0.0005","26.5593","0.0011","9.5945","0.0005","90","","114.586","0.007","90","","1953.7","0.2","150","10","150","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino) pyridine 1-(8'-hydroxynaphthalen-1'-yl)-2-methylbutan-1-onemolecular complex","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1105","0.0738","","","0.1639","0.1822","","","","","","1.071","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232097","7.3963","0.0003","14.2452","0.0004","13.5274","0.0005","90","","105.187","0.004","90","","1375.49","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-((8'-hydroxynaphthalen-1'-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0752","0.0573","","","0.1123","0.1198","","","","","","1.106","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232098","6.9441","0.0004","8.8146","0.0004","14.8418","0.0008","77.773","0.004","78.744","0.004","76.371","0.004","852.7","0.08","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","7a-hydroxy-9-phenyl-7a,8,9,10-tetrahydro-11H-benzo[f]naphtho[1,8-bc]oxepin-11-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0936","0.069","","","0.1395","0.1519","","","","","","1.101","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232099","13.4588","0.0005","9.4421","0.0003","20.9855","0.0009","90","","95.122","0.004","90","","2656.17","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-(2'H-naphtho[1,8-bc]furan-2'yl)cyclohex-2-en-1-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1099","0.0763","","","0.1853","0.2046","","","","","","1.198","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232100","37.3853","0.0007","37.3853","0.0007","11.2109","0.0002","90","","90","","120","","13569.8","0.4","120","2","120.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","2","","","- C34 H34 Br2 O4 -","- C34 H34 Br2 O4 -","- C612 H612 Br36 O72 -","18","1","","Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J.","A self-assembled nanotube supported by halogen bonding interactions","CrystEngComm","2019","21","5","786","","10.1039/C8CE01824C","","","0.71073","MoKα","","0.0876","0.0523","","","0.1054","0.1164","","","","","","1.088","","","","has coordinates","223550","2020-10-21","18:00:00",""
"7232101","10.007","0.0005","13.2653","0.0007","15.0577","0.0008","80.234","0.002","71.193","0.002","70.137","0.002","1775.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 Cl2 N4 O6 -","- C39 H43 Cl2 N4 O6 -","- C78 H86 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0782","0.0647","","","0.1758","0.1855","","","","","","1.035","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232102","9.9312","0.0005","13.0381","0.0007","14.9669","0.0008","78.504","0.002","71.545","0.002","71.592","0.002","1733.59","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H40 Cl2 N4 O6 -","- C37.5 H40 Cl2 N4 O6 -","- C75 H80 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0765","0.0563","","","0.1497","0.1629","","","","","","1.044","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232103","19.602","0.0017","10.4596","0.0009","15.8952","0.0014","90","","107.358","0.002","90","","3110.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.054","0.0527","","","0.1516","0.1531","","","","","","1.042","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232104","9.9249","0.0009","13.0873","0.0012","15.1023","0.0014","78.486","0.003","71.671","0.003","71.466","0.003","1754.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0745","0.0625","","","0.1745","0.1851","","","","","","1.064","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232105","9.9494","0.0007","13.0577","0.001","15.047","0.0011","78.907","0.002","71.437","0.002","70.82","0.002","1741.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Cl2 N4 O6 -","- C38 H41 Cl2 N4 O6 -","- C76 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0548","0.0479","","","0.1294","0.1344","","","","","","1.052","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232106","9.9163","0.0005","13.1401","0.0007","14.9925","0.0008","78.987","0.002","71.536","0.002","71.106","0.002","1744.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0644","0.0475","","","0.1214","0.1308","","","","","","1.041","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232107","9.9369","0.0005","13.0256","0.0007","14.9773","0.0008","78.67","0.003","71.719","0.003","71.595","0.003","1736.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H41 Cl2 N4 O6 -","- C37.5 H41 Cl2 N4 O6 -","- C75 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.1637","0.089","","","0.2211","0.2603","","","","","","1.046","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232108","3.9611","0.0002","13.3377","0.0005","14.48","0.0005","90","","97.848","0.002","90","","757.84","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorobenzonitrile oxide","2,6-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","1.54178","CuKα","","0.0396","0.0368","","","0.0944","0.0969","","","","","","1.068","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232109","25.671","0.015","3.903","0.002","14.123","0.008","90","","106.068","0.006","90","","1359.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromobenzonitrile oxide","3-bromobenzonitrile-N-oxide","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C56 H32 Br8 N8 O8 -","8","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0693","0.0434","","","0.0989","0.1102","","","","","","1.04","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232110","3.7857","0.001","12.616","0.003","15.632","0.004","90","","93.847","0.004","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-dichlorobenzonitrile oxide","2,3-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0277","0.0254","","","0.0595","0.0605","","","","","","1.06","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232111","4.5995","0.0004","7.7964","0.0007","9.3711","0.0008","90","","101.201","0.001","90","","329.64","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-chlorobenzonitrile oxide","4-chlorobenzonitrile-N-oxide","","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C14 H8 Cl2 N2 O2 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0269","0.0244","","","0.0675","0.0698","","","","","","1.092","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232112","6.9929","0.0002","9.6745","0.0003","10.9094","0.0003","97.057","0.002","97.633","0.002","96.111","0.002","720.29","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N2 -","- C18 H15 N2 -","- C36 H30 N4 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0629","0.0585","","","0.1601","0.1667","","","","","","1.004","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232113","6.9689","0.0002","10.7206","0.0003","18.531","0.0004","97.772","0.002","100.438","0.002","107.389","0.003","1272.6","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0856","0.0726","","","0.1471","0.1524","","","","","","0.996","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232114","15.3925","0.0006","6.8374","0.0003","12.8802","0.0005","90","","93.087","0.003","90","","1353.61","0.1","296","2","296","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C34 H28 N4 -","- C34 H28 N4 -","- C68 H56 N8 -","2","0.25","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","x-ray","1.54184","CuKα","","0.0572","0.046","","","0.149","0.1623","","","","","","1.126","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232115","7.9686","0.0006","8.6786","0.0006","11.2515","0.0008","95.505","0.006","106.522","0.006","113.65","0.007","663.5","0.1","277.3","0.1","277.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 La O9.5 -","- C9 H13 La O9.5 -","- C18 H26 La2 O19 -","2","1","","Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis","2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions","CrystEngComm","2019","21","7","1137","","10.1039/C8CE01983E","","","0.71073","MoKα","","0.042","0.0329","","","0.0475","0.0506","","","","","","1.01","","","","has coordinates","223657","2020-10-21","18:00:00",""
"7232116","9.5953","0.0005","10.9758","0.0003","15.4396","0.0006","101.8","0.003","102.572","0.004","93.998","0.003","1542.37","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4-Iodobenzoate-tin-tetraiodoporphrin","","","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0817","0.061","","","0.1766","0.1995","","","","","","1.027","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232117","11.6409","0.0005","12.3154","0.0006","13.1057","0.0004","98.307","0.003","104.865","0.003","117.3","0.004","1536.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Nitrobenzoate-tin-tetraiodoporphrin","","","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0861","0.06","","","0.1786","0.2051","","","","","","1.087","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232118","11.2861","0.0004","11.7958","0.0003","13.3288","0.0003","103.991","0.002","95.327","0.002","111","0.002","1575.58","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Nitrobenzoate-tin-tetraiodoporphrin","","","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0461","0.0363","","","0.0797","0.0839","","","","","","1.093","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232119","8.0433","0.0004","12.3567","0.0006","15.1084","0.0009","69.576","0.005","85.741","0.004","87.539","0.004","1403.09","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Iodobenzoate-tin-tetraiodoporphrin","","","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0584","0.0465","","","0.1269","0.1358","","","","","","1.084","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232120","8.8373","0.0005","10.7391","0.0006","14.9694","0.0009","98.367","0.005","101.545","0.005","96.724","0.004","1361.35","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dichloromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0864","0.0588","","","0.1507","0.1655","","","","","","1.021","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232121","8.8374","0.0007","10.7088","0.0006","15.0404","0.0011","98.727","0.005","101.652","0.006","96.887","0.006","1361.15","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dibromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.1335","0.0699","","","0.1521","0.1709","","","","","","1.037","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232122","9.64","0.0005","10.8143","0.0006","15.1088","0.0007","100.646","0.004","102.72","0.004","93.71","0.004","1500.84","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Bromobenzoate-tin-tetraiodoporphrin","","","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.091","0.0599","","","0.1662","0.1831","","","","","","1.076","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232123","14.2058","0.0003","17.3651","0.0005","11.8806","0.0003","90","","97.847","0.002","90","","2903.32","0.13","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,5-Difluoromobenzoate-tin-tetraiodoporphrin","","","- C60 H36 F4 I4 N4 O5 S Sn -","- C60 H36 F4 I4 N4 O5 S Sn -","- C120 H72 F8 I8 N8 O10 S2 Sn2 -","2","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0699","0.0542","","","0.1647","0.1756","","","","","","1.031","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232124","17.008","0.002","10.0083","0.001","19.248","0.002","90","","108.513","0.01","90","","3106.9","0.6","299","2","299","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and 4-stilbazole","","","- C18 H13 I N -","- C18 H13 I N -","- C144 H104 I8 N8 -","8","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0435","0.0277","","","0.0619","0.0707","","","","","","1.013","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232125","7.5641","0.0012","8.3619","0.0012","17.5","0.003","94.126","0.008","96.466","0.008","106.153","0.007","1050.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethyne","","","- C22 H12 I2 N2 -","- C22 H12 I2 N2 -","- C44 H24 I4 N4 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0557","0.0339","","","0.0847","0.0958","","","","","","1.016","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232126","12.8031","0.0015","9.5117","0.0013","17.856","0.003","90","","107.973","0.008","90","","2068.4","0.5","298","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethene","","","- C22 H14 I2 N2 -","- C22 H14 I2 N2 -","- C88 H56 I8 N8 -","4","0.5","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.2029","0.0862","","","0.188","0.2472","","","","","","0.971","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232127","12.9604","0.0018","6.4988","0.0009","10.5705","0.0015","90","","90","","90","","890.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.94 Ta0.06 Ti0.94 -","- O5 P Rb0.9375 Ta0.0625 Ti0.9375 -","- O40 P8 Rb7.5 Ta0.5 Ti7.5 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","0.71073","MoKα","","0.0638","0.0572","","","0.1535","0.1588","","","","","","1.083","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232128","12.9584","0.0018","6.4968","0.0009","10.5615","0.0015","90","","90","","90","","889.2","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.9 Ta0.1 Ti0.9 -","- O5 P Rb0.8995 Ta0.1005 Ti0.8995 -","- O40 P8 Rb7.196 Ta0.804 Ti7.196 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","1.54178","CuKα","","0.1183","0.118","","","0.3064","0.3065","","","","","","1.154","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232129","7.988","0.0006","5.7019","0.0005","11.3808","0.0008","90","","97.745","0.007","90","","513.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Co H14 N4 O2 -","- Cl4 Co H14 N4 O2 -","- Cl8 Co2 H28 N8 O4 -","2","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0429","0.0311","","","0.0548","0.0602","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232130","7.5839","0.0003","9.1752","0.0004","15.0656","0.0006","89.821","0.004","84.447","0.003","75.697","0.004","1010.82","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0795","0.0818","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232131","8.9779","0.0004","10.9705","0.0004","11.7726","0.0005","90","","94.423","0.004","90","","1156.05","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl5 H15 Mn N6 -","- Cl5 H15 Mn N6 -","- Cl20 H60 Mn4 N24 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0403","0.0323","","","0.0757","0.0801","","","","","","1.044","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232132","5.5411","0.0001","13.9707","0.0003","9.963","0.0003","90","","92.648","0.002","90","","770.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H9 Mn N2 O2 -","- Cl3 H9 Mn N2 O2 -","- Cl12 H36 Mn4 N8 O8 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0297","0.027","","","0.066","0.0688","","","","","","1.065","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232133","3.7868","0.0006","5.6827","0.0009","8.7079","0.0011","99.853","0.012","98.563","0.012","91.568","0.013","182.3","0.05","150","0.4","150","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0331","0.0314","","","0.0806","0.0844","","","","","","1.096","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232153","17.5338","0.0008","10.4983","0.0005","28.7697","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13.2 H9.8 I2 N4.6 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0552","0.0424","","","0.1042","0.1122","","","","","","1.081","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232154","4.3229","0.0014","13.047","0.004","29.586","0.009","90.19","0.008","91.77","0.008","95.024","0.008","1661.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9.2 H3.8 I2 N2.6 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1134","0.0976","","","0.1899","0.1958","","","","","","1.207","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232155","4.2425","0.0006","23.537","0.004","24.567","0.004","111.725","0.005","94.131","0.005","93.861","0.005","2261.3","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I2 N3 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1182","0.1002","","","0.2535","0.269","","","","","","1.045","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232156","13.9441","0.0006","35.2209","0.0015","8.2173","0.0003","90","","90.331","0.001","90","","4035.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H0 I2 N2 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0401","0.0354","","","0.083","0.0856","","","","","","1.107","","","","has coordinates,has disorder","223654","2020-10-21","18:00:00",""
"7232157","4.338","0.001","18.327","0.004","18.018","0.004","90","","91.705","0.007","90","","1431.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Cl3 I2 N2 -","- C9 H3 Cl3 I2 N2 -","- C36 H12 Cl12 I8 N8 -","4","1","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1155","0.1024","","","0.2611","0.2683","","","","","","1.294","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232169","12.5982","0.0013","13.295","0.003","13.5974","0.0012","114.779","0.015","99.377","0.009","100.412","0.012","1959.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","1","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1233","0.0632","","","0.0968","0.1329","","","","","","1.023","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232170","27.133","0.002","12.3372","0.0011","15.5056","0.0012","90","","123.224","0.007","90","","4342","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C39 H61.5 Mo12 N6 Na3.5 O66 P8 -","- C26 H33 Mo12 N4 Na3.5 O64 P8 -","- C52 H66 Mo24 N8 Na7 O128 P16 -","2","0.25","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0709","0.0565","","","0.137","0.1506","","","","","","1.049","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232171","14.6598","0.0004","13.3538","0.0004","22.0021","0.0006","90","","103.869","0.003","90","","4181.6","0.2","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C40 H72 Mn5 Mo24 N16 Na4 O143 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0564","0.0455","","","0.0912","0.0974","","","","","","1.231","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232172","13.3983","0.0001","13.3983","0.0001","38.3301","0.0008","90","","90","","90","","6880.81","0.16","295","2","295","2","","","","","","","","8","P 43 2 2","P 4cw 2c","95","","","","- C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C12 H156 Mn10 Mo48 N22 Na18 O290 P32 -","4","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0304","0.0283","","","0.0741","0.0751","","","","","","1.056","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232173","16.333","0.002","21.724","0.003","21.913","0.003","90","","92.836","0.002","90","","7765.6","1.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H80 Mn2 Mo12 N7 Na O68 P8 -","- H14 Mn2 Mo12 Na O63 P8 -","- H56 Mn8 Mo48 Na4 O252 P32 -","4","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0411","0.0298","","","0.0589","0.0623","","","","","","1.02","","","","has coordinates","223596","2020-10-21","18:00:00",""
"7232174","13.262","0.003","13.36","0.003","22.492","0.005","99.302","0.003","90.283","0.003","103.365","0.003","3822.5","1.5","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C13 H40 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C26 H80 Cu0.5 Mo24 N13 Na9.5 O140 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1819","0.0743","","","0.1256","0.1577","","","","","","1.034","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232185","10.9801","0.0009","10.9801","0.0009","38.5568","0.0012","90","","90","","120","","4025.7","0.5","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca6.983 O28 Pb3.517 V7 -","- Ca6.982 O28 Pb3.5185 V7 -","- Ca41.892 O168 Pb21.111 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71069","MoKα","","0.0393","0.0347","","","0.0456","0.047","","","","1.02","1.02","1.01","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232186","11.0594","0.0011","11.0594","0.0011","38.8813","0.0014","90","","90","","120","","4118.5","0.6","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca5.606 O28 Pb4.894 V7 -","- Ca5.605 O28 Pb4.895 V7 -","- Ca33.63 O168 Pb29.37 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0488","0.0378","","","0.0472","0.0497","","","","1.09","1.09","1.04","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232187","10.922","0.0002","10.922","0.0002","38.3133","0.0009","90","","90","","120","","3958.08","0.14","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca8.649 O28 Pb1.851 V7 -","- Ca8.6491 O28 Pb1.851 V7 -","- Ca51.8946 O168 Pb11.106 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0794","0.0484","","","0.0368","0.0455","","","","1.04","1.04","1.03","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232188","10.1313","0.0017","10.1313","0.0017","10.1351","0.0017","90","","90","","120","","900.9","0.3","300","","300","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H2 Br2 Cl4 -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.7596","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232189","10.14","0.003","31.233","0.009","10.122","0.003","90","","90.21","0.02","90","","3205.6","1.6","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H Br Cl2 -","- C61 H Br Cl2 -","- C244 H4 Br4 Cl8 -","4","0.5","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232190","15.071","0.003","17.319","0.004","18.468","0.004","90","","96.99","0.03","90","","4784.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N14 -","- C56 H42 Cu2 N14 -","- C224 H168 Cu8 N56 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0872","0.0458","","","0.1051","0.1265","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232191","11.089","0.007","8.79","0.005","15.236","0.009","90","","102.882","0.011","90","","1447.7","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N3 -","- C7 H5 Cu N3 -","- C56 H40 Cu8 N24 -","8","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0381","0.0291","","","0.0761","0.0802","","","","","","1.064","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232192","8.8138","0.0018","15.406","0.003","12.203","0.002","90","","94.92","0.03","90","","1650.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.039","0.0295","","","0.0754","0.08","","","","","","1.06","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232193","8.0872","0.0005","10.2331","0.0006","23.4179","0.0013","88.45","0.001","80.956","0.001","86.568","0.001","1910.17","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cu3 N16 -","- C34 H42 Cu3 N16 -","- C68 H84 Cu6 N32 -","2","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0766","0.0447","","","0.097","0.1096","","","","","","1.012","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232194","13.0156","0.0006","14.3792","0.0007","12.3581","0.0006","90","","90","","90","","2312.87","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16.62 H18 Cu4 N10.38 -","- C16.62 H18 Cu4 N10.38 -","- C66.48 H72 Cu16 N41.52 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.059","0.0372","","","0.0793","0.0881","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232195","6.4341","0.0011","4.6151","0.0003","10.5313","0.0007","90","","100.73","0.01","90","","307.25","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0419","0.0339","","","0.0742","0.0769","","","","","","1.174","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232196","6.4003","0.0011","4.5981","0.0004","10.4452","0.0015","90","","100.748","0.014","90","","302","0.07","295.01","","295.01","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0334","0.0276","","","0.0628","0.0644","","","","","","1.039","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232197","6.4342","0.001","4.6146","0.0004","10.5397","0.001","90","","100.667","0.009","90","","307.53","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0559","0.041","","","0.0915","0.1066","","","","","","1.108","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232198","6.4551","0.0005","4.674","0.0004","10.547","0.0009","90","","100.754","0.003","90","","312.63","0.04","100","2","99.82","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","","1.54178","CuKα","","0.0297","0.0287","","","0.0727","0.073","","","","","","1.106","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232199","6.5086","0.0005","4.6661","0.0004","10.7596","0.0008","90","","100.685","0.001","90","","321.1","0.04","295","","295.03","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0458","0.0408","","","0.1107","0.1154","","","","","","1.046","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232202","10.672","0.003","10.887","0.003","25.613","0.002","94.871","0.012","97.871","0.011","94.413","0.015","2925.3","1.2","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C84 H88 Ba2 Cl16 Fe4 O12 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.134","0.0763","","","0.1412","0.1668","","","","","","1.115","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232203","7.5364","0.0007","9.164","0.0009","24.2084","0.0018","90","","91.334","0.004","90","","1671.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NG18_LT","","","- C14 H14 Fe K O S4 -","- C14 H14 Fe K O S4 -","- C56 H56 Fe4 K4 O4 S16 -","4","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.0329","0.0291","","","0.0629","0.0643","","","","","","1.043","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232204","10.9301","0.0005","13.295","0.0008","14.7803","0.0008","63.606","0.002","76.591","0.002","69.262","0.002","1792.14","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","","","0.0487","0.0345","","","0.1033","0.1262","","","","","","1.07","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232205","12.7382","0.0014","13.0035","0.0011","21.73","0.004","86.715","0.012","89.542","0.012","63.187","0.012","3206.5","0.8","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C90 H112 Ca2 Cl16 Fe4 O20 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1119","0.0656","","","0.1477","0.1779","","","","","","1.084","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232206","10.6545","0.0003","11.3055","0.0003","14.3597","0.0004","93.025","0.002","111.05","0.002","98.246","0.002","1587.36","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.0829","0.0631","","","0.2013","0.2165","","","","","","1.096","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232207","13.7557","0.0004","13.7884","0.0004","14.2273","0.0004","94.417","0.002","112.471","0.001","105.827","0.001","2348.67","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","DH194_transp_200K","","","- C34 H37 Cl7 K O6 S6 Zn3 -","- C34 H37 Cl7 K O6 S6 Zn3 -","- C68 H74 Cl14 K2 O12 S12 Zn6 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.104","0.0528","","","0.1436","0.1798","","","","","","1.08","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232208","9.968","0.0012","13.477","0.001","14.244","0.0009","108.073","0.006","109.857","0.007","93.674","0.008","1679.9","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1039","0.0548","","","0.0991","0.1153","","","","","","1.071","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232209","8.3674","0.0003","9.8399","0.0005","10.6622","0.0005","93.296","0.004","93.021","0.004","101.21","0.004","857.86","0.07","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N3 O Se -","- C20 H19 N3 O Se -","- C40 H38 N6 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0377","0.0293","","","0.0683","0.0721","","","","","","0.992","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232210","10.1249","0.0002","15.9246","0.0003","11.466","0.0002","90","","106.572","0.002","90","","1771.93","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O Se -","- C20 H23 N3 O Se -","- C80 H92 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0308","0.0258","","","0.0626","0.0657","","","","","","1.056","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232211","10.161","0.0002","16.0506","0.0003","11.43","0.0002","90","","104.622","0.002","90","","1803.75","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O Se -","- C21 H24 N2 O Se -","- C84 H96 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0378","0.0329","","","0.0819","0.0849","","","","","","1.028","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232212","17.371","0.004","5.308","0.0011","11.633","0.002","90","","90","","90","","1072.6","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O Se -","- C14 H8 N2 O Se -","- C56 H32 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","","0.71092","Synchrotron","","0.0279","0.0271","","","0.0746","0.0751","","","","","","1.129","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232213","11.7848","0.0003","4.5869","0.0001","21.3572","0.0005","90","","90","","90","","1154.48","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0452","0.0331","","","0.0761","0.0793","","","","","","1.063","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232214","20.7476","0.0009","4.9407","0.0002","17.6687","0.0007","90","","107.376","0.004","90","","1728.53","0.13","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O Se -","- C19 H13 N3 O Se -","- C76 H52 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0422","0.0346","","","0.0908","0.0955","","","","","","1.054","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232215","9.6002","0.0004","10.2109","0.0004","19.838","0.0007","78.71","0.003","84.901","0.003","77.458","0.004","1859.33","0.13","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C84 H84 N12 O4 Se4 -","4","2","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0903","0.0448","","","0.0903","0.112","","","","","","1.044","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232216","8.8093","0.0002","10.7445","0.0002","10.9812","0.0002","111.687","0.002","109.283","0.002","96.631","0.002","877.57","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O Se -","- C21 H18 N4 O Se -","- C42 H36 N8 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0567","0.0358","","","0.0823","0.0872","","","","","","1.07","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232217","9.6254","0.0002","10.2486","0.0002","10.6505","0.0002","83.66","0.002","76.398","0.002","78.423","0.002","998.19","0.04","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N3 O2 Se -","- C21 H23 N3 O2 Se -","- C42 H46 N6 O4 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.116","0.0456","","","0.1004","0.1219","","","","","","1","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232225","7.2451","0.001","7.8674","0.001","16.65","0.002","87.647","0.009","86.278","0.009","83.882","0.009","941.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","2","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.073","0.076","","","","","","1.055","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232226","7.7319","0.0005","9.613","0.0007","13.2774","0.0009","90","","96.761","0.002","90","","980","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0238","0.0226","","","0.0574","0.0585","","","","","","1.082","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232227","7.953","0.007","9.744","0.008","13.366","0.011","90","","97.174","0.01","90","","1027.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,4-Dibromo-2-oxo-2,5-dihydrofuran-5-ylsulfonyl)ethanoic acid","","- C6 H4 Br2 O6 S -","- C6 H4 Br2 O6 S -","- C24 H16 Br8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0432","0.0307","","","0.0659","0.0704","","","","","","1.022","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232228","15.0421","0.0005","11.2751","0.0004","15.5078","0.0005","90","","104.491","0.002","90","","2546.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0524","0.0369","","","0.0954","0.1035","","","","","","1.056","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232229","23.606","0.002","8.1378","0.0008","14.5476","0.0014","90","","115.51","0.007","90","","2522.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0731","0.0505","","","0.0991","0.1091","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232230","13.169","0.0012","4.4889","0.0004","20.4829","0.0018","90","","90","","90","","1210.83","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0912","0.0505","","","0.1119","0.1284","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232231","6.5101","0.0011","9.753","0.0016","10.3547","0.0019","81.848","0.012","72.076","0.013","81.359","0.013","615.24","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C20 H24 N8 O4 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0625","0.0428","","","0.1059","0.1161","","","","","","1.071","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232232","6.5899","0.0013","15.349","0.003","15.887","0.003","102.55","0.03","92.36","0.03","92.73","0.03","1564.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C30 H42 N4 O7 S -","- C30 H42 N4 O7 S -","- C60 H84 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.083","0.0516","","","0.1076","0.1237","","","","","","0.977","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232233","6.5593","0.0013","16.171","0.003","16.454","0.003","74.56","0.03","89.11","0.03","86.78","0.03","1679.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C33 H48 N4 O7 S -","- C33 H48 N4 O7 S -","- C66 H96 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1237","0.0835","","","0.1953","0.2132","","","","","","0.94","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232234","6.5017","0.0013","16.269","0.003","16.495","0.003","105.54","0.03","90.98","0.03","93.01","0.03","1677.8","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C32 H46 N4 O7 S -","- C32 H46 N4 O7 S -","- C64 H92 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1093","0.0694","","","0.1415","0.1617","","","","","","1.048","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232235","6.3818","0.0001","11.7984","0.0002","22.1415","0.0003","88.772","0.001","84.416","0.001","78.101","0.001","1623.58","0.04","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C31 H44 N4 O7 S -","- C31 H44 N4 O7 S -","- C62 H88 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","x-ray","1.54184","CuKα","","0.0504","0.0468","","","0.1272","0.1302","","","","","","1.063","","","","has coordinates,has disorder","223486","2020-10-21","18:00:00",""
"7232236","13.1788","0.0009","21.4947","0.0016","22.2362","0.0018","90","","106.952","0.002","90","","6025.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetramesityl-2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinato zinc(II)","","- C76 H71 N7 Zn -","- C76 H71 N7 Zn -","- C304 H284 N28 Zn4 -","4","1","","Abdulaeva, Inna A.; Birin, Kirill P.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Lyssenko, Konstantin A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Bessmertnykh-Lemeune, Alla","Imidazoporphyrins as supramolecular tectons: synthesis and self-assembly of zinc 2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinate","CrystEngComm","2019","21","9","1488","","10.1039/C8CE01992D","","","0.71073","MoKα","","0.1195","0.0599","","","0.1342","0.1594","","","","","","1.015","","","","has coordinates","223660","2020-10-21","18:00:00",""
"7232237","14.259","0.002","13.0995","0.0013","10.2027","0.0014","90","","123.36","0.02","90","","1591.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B12 H2 Li2 Na2 O21 -","- B12 H2 Li2 Na2 O21 -","- B48 H8 Li8 Na8 O84 -","4","0.5","","Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu","Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units","CrystEngComm","2019","21","8","1262","","10.1039/C8CE02175A","","","0.71073","MoKα","","0.0389","0.0298","","","0.0765","0.0805","","","","","","1.047","","","","has coordinates","223523","2020-10-21","18:00:00",""
"7232241","10.1382","0.0011","12.7716","0.0014","13.5128","0.0014","79.967","0.002","89.142","0.002","76.356","0.002","1673.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N10 O7 -","- C32 H21 N10 O7 -","- C64 H42 N20 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.0889","0.0719","","","0.2069","0.2265","","","","","","1.086","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232242","11.9851","0.0017","12.2632","0.0017","13.7369","0.0019","94.016","0.002","112.728","0.002","103.896","0.002","1777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N9 O8 S -","- C33 H21 N9 O8 S -","- C66 H42 N18 O16 S2 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1055","0.0889","","","0.2548","0.2729","","","","","","1.057","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232243","7.4872","0.0006","12.4001","0.001","17.0797","0.0013","109.166","0.002","99.619","0.002","93.273","0.002","1466.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N9 O7 -","- C27 H21 N9 O7 -","- C54 H42 N18 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1057","0.0654","","","0.1759","0.2061","","","","","","1.033","","","","has coordinates,has disorder","223723","2020-10-21","18:00:00",""
"7232244","13.729","0.007","11.895","0.006","16.192","0.008","90","","101.35","0.01","90","","2593","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br2 Cd N2 O6 -","- C26 H24 Br2 Cd N2 O6 -","- C104 H96 Br8 Cd4 N8 O24 -","4","1","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0824","0.0689","","","0.2138","0.2257","","","","","","1.043","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232245","21.974","0.006","10.015","0.002","13.444","0.004","90","","115.916","0.008","90","","2661.1","1.2","287","2","287","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","0.5","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0755","0.056","","","0.1294","0.1421","","","","","","1.15","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232246","11.974","0.002","14.046","0.003","15.893","0.003","90","","99.78","0.03","90","","2634.1","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Mn N6 Se8 Sn3 -","- C6 H24 Mn N6 Se8 Sn3 -","- C24 H96 Mn4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0432","0.0304","","","0.0795","0.0809","","","","","","1.027","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232247","11.949","0.002","14.06","0.003","15.794","0.003","90","","100.39","0.03","90","","2609.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N6 Se8 Sn3 Zn -","- C6 H24 N6 Se8 Sn3 Zn -","- C24 H96 N24 Se32 Sn12 Zn4 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0538","0.0374","","","0.0781","0.0907","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232248","11.95","0.002","14.083","0.003","17.995","0.006","90","","120.25","0.02","90","","2616","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Fe N6 Se8 Sn3 -","- C6 H24 Fe N6 Se8 Sn3 -","- C24 H96 Fe4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0618","0.048","","","0.0862","0.1094","","","","","","1.111","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232249","10.104","0.002","12.048","0.002","12.107","0.002","89.524","0.014","75.445","0.017","75.777","0.017","1380.5","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Ni Se12 Sn -","- C6 H24 N6 Ni Se12 Sn -","- C12 H48 N12 Ni2 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0628","0.0471","","","0.0732","0.0929","","","","","","1.002","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232250","14.869","0.003","11.888","0.002","13.86","0.003","90","","90","","90","","2449.9","0.8","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H24 N6 Ni Se7.5 Sn3 -","- C6 H16 N6 Ni Se7.5 Sn3 -","- C24 H64 N24 Ni4 Se30 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0678","0.0434","","","0.0842","0.1012","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232251","10.222","0.002","12.175","0.002","12.394","0.003","89.37","0.03","74.97","0.03","75.66","0.03","1440.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Mn N6 Se12 Sn -","- C6 H24 Mn N6 Se12 Sn -","- C12 H48 Mn2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0549","0.0411","","","0.0884","0.0921","","","","","","1.106","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232252","10.223","0.002","12.106","0.002","12.263","0.003","89.4","0.03","89.4","0.03","75.45","0.03","1468.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Fe N6 Se12 Sn -","- C6 H12 Fe N6 Se12 Sn -","- C12 H24 Fe2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.063","0.0541","","","0.0854","0.1093","","","","","","1.013","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232253","10.156","0.002","12.096","0.002","12.109","0.002","89.64","0.03","75.49","0.03","75.87","0.03","1394.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Se12 Sn Zn -","- C6 H24 N6 Se12 Sn Zn -","- C12 H48 N12 Se24 Sn2 Zn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0612","0.0497","","","0.0964","0.1106","","","","","","1.05","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232271","9.7845","0.0014","5.5978","0.0008","32.633","0.005","90","","95.028","0.01","90","","1780.5","0.5","296","2","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","2","","Li, Ye-Xin; Yu, Zhen-Feng; Zhu, Cun-Zhao; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Three new metastable polymorphs of 1-(9-anthryl)-2-(1-naphthyl)ethylene and the polymorph-dependent phase transition and fluorescence change properties","CrystEngComm","2019","21","9","1512","","10.1039/C8CE01935E","","","1.34139","GaKα","","0.2605","0.0799","","","0.1551","0.2312","","","","","","0.96","","","","has coordinates","223664","2020-10-21","18:00:00",""
"7232272","7.8816","0.0008","10.022","0.001","10.4165","0.0011","106.091","0.004","94.967","0.005","100.946","0.004","767.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-1-(4-methylphenyl)-3-(2-nitrophenyl)-propan-1-one","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0644","0.0488","","","0.1291","0.1403","","","","","","1.065","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232273","7.746","0.002","7.881","0.002","12.467","0.004","92.37","0.004","103.44","0.004","94.136","0.004","737","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one","","- C15 H12 Br N O4 -","- C15 H12 Br N O4 -","- C30 H24 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0537","0.0442","","","0.1129","0.1188","","","","","","1.049","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232274","7.8","0.004","15.919","0.008","10.373","0.005","90","","98.416","0.006","90","","1274.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,3SR)-3-(2-nitrophenyl)-1-phenyl-2,3-epoxypropan-1-one","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0654","0.0404","","","0.0916","0.1047","","","","","","1.025","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232275","14.847","0.011","7.932","0.006","14.919","0.011","90","","118.211","0.009","90","","1548","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,3RS)-2-bromo-1-(4-chlorophenyl)-3-hydroxy-3-(2-nitrophenyl)-propan-1-one","","- C15 H11 Br Cl N O4 -","- C15 H11 Br Cl N O4 -","- C60 H44 Br4 Cl4 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0833","0.0551","","","0.1344","0.1496","","","","","","1.049","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232276","13.8179","0.0005","4.53024","0.00016","16.5413","0.0006","90","","90.096","0.003","90","","1035.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","0.71073","MoKα","","0.0649","0.0628","","","0.176","0.1776","","","","","","1.096","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232277","13.7983","0.0005","4.54885","0.00013","16.5972","0.0005","90","","89.979","0.003","90","","1041.75","0.06","190.03","0.1","190.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0504","0.0488","","","0.1306","0.1335","","","","","","1.014","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232278","13.7588","0.0005","4.52816","0.00013","16.5509","0.0005","90","","89.976","0.003","90","","1031.15","0.06","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1212","0.1225","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232279","13.7503","0.0004","4.52597","0.00012","16.5449","0.0005","90","","89.976","0.003","90","","1029.65","0.05","90.1","0.4","90.1","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1203","0.1213","","","","","","1.041","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232280","13.7934","0.0004","4.54536","0.00012","16.5872","0.0005","90","","89.979","0.003","90","","1039.95","0.05","179.97","0.1","179.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0461","","","0.1236","0.126","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232281","13.7896","0.0005","4.54222","0.00014","16.5883","0.0005","90","","89.976","0.003","90","","1039.01","0.06","170.03","0.1","170.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0483","0.0471","","","0.1249","0.1272","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232282","13.8039","0.0005","4.55103","0.00013","16.6046","0.0005","90","","89.998","0.003","90","","1043.13","0.06","199.97","0.1","199.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.049","0.0474","","","0.1253","0.1287","","","","","","1.035","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232283","13.8211","0.0006","4.55654","0.00016","16.6176","0.0006","90","","89.991","0.004","90","","1046.52","0.07","219.98","0.1","219.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.05","0.0476","","","0.126","0.131","","","","","","1.06","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232284","13.7768","0.0005","4.53799","0.00013","16.578","0.0005","90","","89.98","0.003","90","","1036.44","0.06","150.03","0.1","150.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0489","0.0483","","","0.1271","0.1285","","","","","","1.047","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232285","13.849","0.0006","4.57028","0.00016","16.6432","0.0006","90","","89.994","0.004","90","","1053.41","0.07","270.02","0.1","270.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1411","0.1489","","","","","","1.037","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232286","13.8281","0.0006","4.55914","0.00015","16.6195","0.0006","90","","89.994","0.004","90","","1047.76","0.07","230.01","0.1","230.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1357","0.1412","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232287","13.8405","0.0006","4.56458","0.00016","16.6279","0.0006","90","","89.994","0.004","90","","1050.49","0.07","250.02","0.1","250.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.14","0.1455","","","","","","1.065","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232288","13.7827","0.0005","4.54004","0.00014","16.5843","0.0005","90","","89.974","0.003","90","","1037.75","0.06","159.98","0.1","159.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0485","0.0475","","","0.1261","0.128","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232289","13.8462","0.0007","4.56671","0.00018","16.6389","0.0007","90","","89.992","0.004","90","","1052.1","0.08","259.98","0.1","259.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0508","0.0473","","","0.1264","0.1319","","","","","","1.055","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232290","13.8767","0.001","4.5831","0.0003","16.6695","0.0011","90","","89.995","0.006","90","","1060.15","0.12","310.02","0.1","310.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0706","0.0634","","","0.1729","0.1867","","","","","","1.036","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232291","13.7702","0.0004","4.53628","0.00013","16.5687","0.0005","90","","89.989","0.003","90","","1034.97","0.05","139.99","0.1","139.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1224","0.1235","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232292","13.8115","0.0005","4.55378","0.00014","16.6052","0.0005","90","","89.99","0.003","90","","1044.38","0.06","210.02","0.1","210.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0528","0.0507","","","0.1343","0.1388","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232293","13.7678","0.0004","4.53467","0.00013","16.5652","0.0005","90","","89.975","0.003","90","","1034.21","0.05","130.02","0.1","130.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0474","0.0466","","","0.124","0.1254","","","","","","1.052","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232294","13.8327","0.0007","4.56126","0.00018","16.6307","0.0007","90","","90.013","0.004","90","","1049.31","0.08","239.98","0.1","239.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0501","0.0474","","","0.1245","0.1293","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232295","13.757","0.0005","4.53004","0.00014","16.5589","0.0005","90","","89.965","0.003","90","","1031.95","0.06","110.02","0.12","110.02","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1241","0.1252","","","","","","1.042","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232296","13.7629","0.0005","4.53229","0.00013","16.5628","0.0005","90","","89.962","0.003","90","","1033.15","0.06","122","3","122","3","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1246","0.1263","","","","","","1.038","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232297","13.8533","0.0007","4.57352","0.00016","16.647","0.0007","90","","89.994","0.004","90","","1054.73","0.08","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0526","0.0482","","","0.1271","0.1347","","","","","","1.058","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232298","13.8662","0.0007","4.58166","0.00018","16.6568","0.0007","90","","90.015","0.004","90","","1058.21","0.08","300","0.1","300","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0569","0.0521","","","0.1383","0.1461","","","","","","1.043","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232305","12.036","0.007","12.533","0.007","14.01","0.013","109.014","0.01","97.412","0.01","118.495","0.007","1650","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N2 O5 -","- C31 H22 F6 N2 O5 -","- C62 H44 F12 N4 O10 -","2","1","","Zhang, He; Gao, Xue-Wang; Wang, Li; Zhao, Xinsheng; Li, Qiu-Yan; Wang, Xiao-Jun","Microwave-assisted synthesis of urea-containing zirconium metal‒organic frameworks for heterogeneous catalysis of Henry reactions","CrystEngComm","2019","21","9","1358","","10.1039/C8CE02153H","","","0.71073","MoKα","","0.1343","0.0689","","","0.1676","0.1884","","","","","","0.941","","","","has coordinates,has disorder","223662","2020-10-21","18:00:00",""
"7232309","14.7342","0.0005","12.3434","0.0004","25.1181","0.0009","90","","103.275","0.001","90","","4446.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co5 N10 O28 -","- C90 H92 Co5 N10 O28 -","- C180 H184 Co10 N20 O56 -","2","0.5","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0538","0.0357","","","0.0856","0.0941","","","","","","1.026","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232310","10.6338","0.0004","22.9546","0.0009","12.9795","0.0004","90","","96.78","0.001","90","","3146.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H68 Co2 N8 O13 -","- C68 H68 Co2 N8 O13 -","- C136 H136 Co4 N16 O26 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0553","0.0389","","","0.0961","0.1049","","","","","","0.986","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232311","10.8175","0.0005","13.0914","0.0006","22.9369","0.001","96.939","0.002","99.947","0.002","100.57","0.002","3105.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Co2 N6 O8 -","- C60 H44 Co2 N6 O8 -","- C120 H88 Co4 N12 O16 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0984","0.0556","","","0.147","0.1647","","","","","","1.032","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232321","5.0637","0.0004","4.9677","0.0004","29.092","0.002","90","","94.332","0.002","90","","729.72","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","0.5","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0413","0.0369","","","0.0984","0.1021","","","","","","1.068","","","","has coordinates","223479","2020-10-21","18:00:00",""
"7232322","4.9806","0.0004","11.5051","0.0008","14.8528","0.0012","68.367","0.005","80.383","0.004","78.374","0.004","770.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","1","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0843","0.0501","","","0.1071","0.1217","","","","","","1.018","","","","has coordinates","223479","2020-10-21","18:00:00",""
"7232323","7.672","0.0011","9.7977","0.0013","9.9187","0.0013","90","","90.011","0.005","90","","745.57","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C24 H38 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.04","0.0347","","","0.0915","0.0952","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232324","10.3216","0.0009","6.6441","0.0005","12.054","0.0011","90","","105.426","0.004","90","","796.86","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N3 O3 S -","- C13 H21 N3 O3 S -","- C26 H42 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0336","0.0306","","","0.0793","0.0817","","","","","","1.034","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232325","10.4333","0.0007","6.8279","0.0004","11.1774","0.0007","90","","113.332","0.004","90","","731.14","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C24 H38 N6 O8 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0389","0.0327","","","0.0727","0.0762","","","","","","1.031","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232326","10.4296","0.0006","6.7642","0.0003","11.2829","0.0006","90","","113.623","0.003","90","","729.28","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N3 O3 S -","- C11 H16 Cl N3 O3 S -","- C22 H32 Cl2 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0416","0.0355","","","0.0923","0.0978","","","","","","1.057","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232327","10.085","0.0005","6.6661","0.0003","18.9899","0.0009","90","","104.813","0.003","90","","1234.22","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H12 Cl N3 O3 S -","- C9 H12 Cl N3 O3 S -","- C36 H48 Cl4 N12 O12 S4 -","4","2","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0407","0.0352","","","0.0878","0.0915","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232328","10.4081","0.0004","5.8338","0.0002","13.2672","0.0005","90","","107.035","0.004","90","","770.22","0.05","150.2","0.3","150.2","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromo-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0488","0.0385","","","0.0565","0.0613","","","","","","1.033","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232329","10.2583","0.0006","5.8537","0.0003","13.2818","0.0009","90","","106.933","0.007","90","","762.98","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chloro-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C28 H24 Cl2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0589","0.0431","","","0.0707","0.0785","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232330","7.2766","0.0003","7.3862","0.0003","14.2883","0.0005","99.348","0.003","103.715","0.004","90.271","0.003","735.39","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-iodoaniline 3,5-dinitrobenzoic acid","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C26 H20 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0633","0.046","","","0.1018","0.1099","","","","","","1.081","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232331","6.7588","0.0001","12.0929","0.0002","36.4619","0.0005","90","","90","","90","","2980.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-iodoanilinium 3,5-dinitrobenzoate","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C104 H80 I8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0213","0.0205","","","0.0472","0.0476","","","","","","1.071","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232332","7.1802","0.0004","7.242","0.0004","14.7292","0.0006","87.048","0.004","88.078","0.004","89.926","0.005","764.46","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -1","-P 1","2","","4-bromo-2-methylaniline 3,5-dinitrobenzoic acid","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0766","0.049","","","0.0926","0.1058","","","","","","1.068","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232333","6.7937","0.0001","11.9574","0.0001","35.8729","0.0003","90","","90","","90","","2914.13","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-bromoanilinium 3,5-dinitrobenzoate","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C104 H80 Br8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","1.54184","CuKα","","0.0397","0.039","","","0.1056","0.1067","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232334","7.3332","0.001","13.937","0.002","15.611","0.002","65.133","0.005","82.758","0.006","83.33","0.006","1432.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-bromoaniline 3,5-dinitrobenzoic acid","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C52 H40 Br4 N12 O24 -","4","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71075","MoKα","","0.0403","0.0324","","","0.0839","0.0879","","","","","","1.143","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232339","17.5291","0.0014","17.5291","0.0014","14.569","0.002","90","","90","","90","","4476.6","0.8","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Dy2 N6 O18 -","- C42 H30 Dy2 N6 O18 -","- C168 H120 Dy8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0407","0.0387","","","0.0967","0.0987","","","","","","1.074","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232340","17.5481","0.0011","17.5481","0.0011","14.5406","0.0011","90","","90","","90","","4477.6","0.5","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Eu2 N6 O18 -","- C42 H30 Eu2 N6 O18 -","- C168 H120 Eu8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0636","0.0572","","","0.1259","0.1318","","","","","","1.108","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232341","17.5494","0.0009","17.5494","0.0009","14.5562","0.001","90","","90","","90","","4483","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Gd2 N6 O18 -","- C42 H30 Gd2 N6 O18 -","- C168 H120 Gd8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0613","0.0547","","","0.1206","0.1271","","","","","","1.114","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232342","17.6414","0.0006","17.6414","0.0006","14.6038","0.0009","90","","90","","90","","4545","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Sm2 -","- C42 H30 N6 O18 Sm2 -","- C168 H120 N24 O72 Sm8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0425","0.0371","","","0.0761","0.0788","","","","","","1.096","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232343","17.4158","0.0006","17.4158","0.0006","14.4403","0.0009","90","","90","","90","","4379.9","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Yb2 -","- C42 H30 N6 O18 Yb2 -","- C168 H120 N24 O72 Yb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0291","0.0282","","","0.0712","0.0724","","","","","","1.064","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232344","17.589","0.007","17.589","0.007","14.561","0.008","90","","90","","90","","4505","4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Er2 N6 O18 -","- C42 H30 Er2 N6 O18 -","- C168 H120 Er8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0369","0.0337","","","0.0749","0.0768","","","","","","1.059","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232345","17.5565","0.0006","17.5565","0.0006","14.5448","0.0008","90","","90","","90","","4483.2","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Tb2 -","- C42 H30 N6 O18 Tb2 -","- C168 H120 N24 O72 Tb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0353","0.0329","","","0.0775","0.079","","","","","","1.105","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232346","17.572","0.0006","17.572","0.0006","14.5303","0.0011","90","","90","","90","","4486.6","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Ho2 N6 O18 -","- C42 H30 Ho2 N6 O18 -","- C168 H120 Ho8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0338","0.0312","","","0.0707","0.072","","","","","","1.078","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232348","8.1083","0.0005","10.3884","0.0006","11.943","0.0008","108.394","0.0019","95.407","0.002","108.653","0.0014","882.88","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","1","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","","0.0338","","","","0.0826","","","","","","1.094","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232349","23.2726","0.0012","9.8774","0.0004","15.2044","0.0007","90","","112.301","0.0015","90","","3233.6","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu2 N12 O4 -","- C36 H24 Cu2 N12 O4 -","- C144 H96 Cu8 N48 O16 -","4","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0286","0.0262","","","0.0666","0.068","","","","","","1.083","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232350","10.989","0.003","28.1","0.006","11.059","0.003","90","","109.434","0.002","90","","3220.4","1.4","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cu4 N28 O4 -","- C72 H36 Cu4 N28 O4 -","- C144 H72 Cu8 N56 O8 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0429","0.0367","","","0.0892","0.093","","","","","","1.072","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232351","4.4893","0.0002","15.5665","0.0005","24.4653","0.0009","90","","92.894","0.002","90","","1707.52","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[c]cinnoline + 1,4-Tetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0497","0.0429","","","0.1074","0.1107","","","","","","1.109","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232352","11.57","0.0004","11.6762","0.0004","11.7522","0.0004","70.484","0.002","63.812","0.002","73.849","0.002","1326.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","","- C31 H20 F4 I2 N2 -","- C31 H20 F4 I2 N2 -","- C62 H40 F8 I4 N4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0453","0.0337","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232353","8.0795","0.0005","11.2522","0.0006","15.1999","0.0009","78.399","0.002","81.52","0.003","69.72","0.003","1265.16","0.13","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","1","0.5","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.066","0.0537","","","0.1273","0.1344","","","","","","1.091","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232354","13.9639","0.0005","9.2151","0.0003","28.0322","0.0009","90","","98.66","0.001","90","","3566","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","","- C46 H30 F4 I2 -","- C46 H30 F4 I2 -","- C184 H120 F16 I8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0367","0.0298","","","0.0642","0.067","","","","","","1.037","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232355","26.714","0.009","13.423","0.004","7.556","0.003","90","","97.82","0.02","90","","2684.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","","- C30 H16 F4 I2 N4 -","- C30 H16 F4 I2 N4 -","- C120 H64 F16 I8 N16 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.2393","0.0909","","","0.1611","0.2157","","","","","","0.994","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232356","9.3655","0.0004","11.0244","0.0004","13.431","0.0005","89.844","0.002","74.129","0.002","73.241","0.002","1272.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","","- C32 H18 F4 I2 -","- C32 H18 F4 I2 -","- C64 H36 F8 I4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.038","0.0349","","","0.0804","0.082","","","","","","1.126","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232359","11.4279","0.0013","11.6213","0.0013","11.4696","0.0018","90","","108.424","0.013","90","","1445.2","0.3","287","18","287","18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H8 N5 O4 Zn -","- C14 H8 N5 O4 Zn -","- C56 H32 N20 O16 Zn4 -","4","0.5","","Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui","A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions","CrystEngComm","2019","21","12","1948","","10.1039/C9CE00068B","","x-ray","0.71073","MoKα","","0.0728","0.0693","","","0.1751","0.1785","","","","","","1.051","","","","has coordinates,has disorder","223729","2020-10-21","18:00:00",""
"7232360","26.001","0.003","26.001","0.003","6.8271","0.0009","90","","90","","120","","3997.1","0.8","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","","","- C14 H16 N2 O8 Zn2 -","- C14 H16 N2 O8 Zn2 -","- C126 H144 N18 O72 Zn18 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54187","CuKα","","0.0567","0.0477","","","0.1496","0.1578","","","","","","1.071","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232361","25.9434","0.0009","25.9434","0.0009","6.8189","0.0002","90","","90","","120","","3974.6","0.2","173","2","173","2","","","","","","","","4","R -3","-R 3","148","","","","- C8 H6 Mg2 O8 -","- C8 H6 Mg2 O8 -","- C72 H54 Mg18 O72 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54184","CuKα","","0.074","0.0624","","","0.1823","0.1893","","","","","","1.134","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232362","22.931","0.008","22.931","0.008","15.931","0.006","90","","90","","120","","7255","5","93","2","93.15","","","","","","","","","4","R 3 c","R 3 -2""c","161","","","","- C8 H4 O7 Zn2 -","- C8 H3.578 O7 Zn2 -","- C144 H64.404 O126 Zn36 -","18","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","0.71075","MoKα","","0.0456","0.0426","","","0.136","0.1386","","","","","","1.181","","","","has coordinates,has disorder","213647","2020-10-21","18:00:00",""
"7232365","9.5897","0.0003","14.3802","0.0007","18.8257","0.0008","107.624","0.004","103.176","0.003","99.794","0.003","2327.76","0.19","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.88 H53 Br2.12 Eu F2.62 N3 O21.62 S0.88 -","- C30.874 H31 Br2.126 Eu F2.622 N3 O10.622 S0.874 -","- C61.748 H62 Br4.252 Eu2 F5.244 N6 O21.244 S1.748 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.055","0.0528","","","0.1478","0.1505","","","","","","1.078","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232366","9.5721","0.0004","14.4092","0.0006","18.7321","0.0007","106.854","0.004","103.019","0.004","99.792","0.004","2331.09","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.68 H53 Br2.32 F2.06 N3 Nd O21.06 S0.69 -","- C30.686 H31 Br2.314 F2.058 N3 Nd O10.058 S0.686 -","- C61.372 H62 Br4.628 F4.116 N6 Nd2 O20.116 S1.372 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0642","0.0612","","","0.1752","0.1788","","","","","","1.047","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232367","11.1828","0.0006","13.1617","0.0005","13.3823","0.0007","103.662","0.004","114.054","0.005","106.336","0.004","1581.64","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","1","0.5","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","0.71073","MoKα","","0.0539","0.0402","","","0.0869","0.0944","","","","","","1.024","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232368","9.5251","0.0003","14.2183","0.0003","18.865","0.0007","107.596","0.003","102.916","0.003","99.489","0.002","2298.26","0.14","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.83 H53 Br2.17 F2.5 N3 O21.5 S0.83 Sm -","- C30.831 H31 Br2.169 F2.493 N3 O10.493 S0.831 Sm -","- C61.662 H62 Br4.338 F4.986 N6 O20.986 S1.662 Sm2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0643","0.0606","","","0.1672","0.1719","","","","","","1.06","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232369","9.528","0.0004","14.3123","0.0006","18.861","0.0008","107.797","0.004","103.227","0.004","99.461","0.003","2306.55","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H51 Br2 F3 Gd N3 O21 S -","- C31 H31 Br2 F3 Gd N3 O11 S -","- C62 H62 Br4 F6 Gd2 N6 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0724","0.0686","","","0.193","0.1984","","","","","","1.055","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232370","18.7334","0.0004","25.659","0.0005","9.82867","0.00019","90","","102.696","0.002","90","","4608.93","0.16","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.61 H47 Br1.39 F4.84 N3 O20.84 S1.61 Sm -","- C31.611 H31 Br1.389 F4.833 N3 O12.833 S1.611 Sm -","- C126.444 H124 Br5.556 F19.332 N12 O51.332 S6.444 Sm4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0589","0.0529","","","0.1453","0.1502","","","","","","1.061","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232371","9.1533","0.0009","14.3573","0.0013","18.8779","0.0016","107.505","0.008","103.919","0.008","96.822","0.008","2247","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Br2 N3 Nd O21 -","- C32 H34 Br2 N3 Nd O10 -","- C64 H68 Br4 N6 Nd2 O20 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0498","0.043","","","0.1097","0.1163","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232372","18.7643","0.0002","25.6962","0.0003","9.85675","0.00012","90","","102.856","0.0012","90","","4633.51","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.65 H43 Br1.35 F4.94 N3 Nd O19.29 S1.65 -","- C31.647 H31 Br1.353 F4.941 N3 Nd O13.294 S1.647 -","- C126.588 H124 Br5.412 F19.764 N12 Nd4 O53.176 S6.588 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0552","0.0464","","","0.1295","0.1363","","","","","","1.068","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232373","9.5114","0.0004","14.2612","0.0006","18.8972","0.0006","108.079","0.004","103.298","0.003","99.25","0.004","2295.55","0.18","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H49 Br2 F3 N3 O20 S Tb -","- C31 H31 Br2 F3 N3 O11 S Tb -","- C62 H62 Br4 F6 N6 O22 S2 Tb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0721","0.0688","","","0.1859","0.1887","","","","","","1.049","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232374","9.2767","0.0003","13.0591","0.0005","18.3855","0.0008","107.284","0.004","98.961","0.003","94.147","0.003","2084.11","0.15","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 O15 Yb -","- C30 H31 Br3 N3 O9 Yb -","- C60 H62 Br6 N6 O18 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0372","0.0327","","","0.0847","0.0879","","","","","","1.034","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232375","9.6013","0.0003","14.3577","0.0003","18.7825","0.0005","106.592","0.002","102.854","0.002","99.256","0.002","2348.43","0.12","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.76 H51 Br2.24 F2.3 La N3 O20.3 S0.76 -","- C30.766 H31 Br2.234 F2.298 La N3 O10.298 S0.766 -","- C61.532 H62 Br4.468 F4.596 La2 N6 O20.596 S1.532 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.06","0.0574","","","0.1614","0.1649","","","","","","1.035","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232376","10.0256","0.0003","14.2571","0.0004","18.5311","0.0005","109.018","0.003","105.086","0.003","95.287","0.002","2372.01","0.14","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C32.9 H41 Br0.1 F8.7 N3 O21.7 S2.9 Yb -","- C32.9 H31 Br0.1 F8.7 N3 O16.7 S2.9 Yb -","- C65.8 H62 Br0.2 F17.4 N6 O33.4 S5.8 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0913","0.0822","","","0.2401","0.2745","","","","","","1.184","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232377","9.4378","0.0003","12.3546","0.0003","18.881","0.0004","104.683","0.002","98.809","0.002","99.428","0.002","2056.69","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 Nd O15 -","- C30 H31 Br3 N3 Nd O8 -","- C60 H62 Br6 N6 Nd2 O16 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.1163","0.1179","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232378","9.6393","0.0004","12.2016","0.0006","19.0185","0.0007","105.771","0.004","99.826","0.003","99.967","0.004","2063.48","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 La N6 O24 -","- C30 H31 La N6 O17 -","- C60 H62 La2 N12 O34 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0736","0.0671","","","0.1801","0.1883","","","","","","1.087","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232379","9.4141","0.0003","12.0776","0.0003","18.7454","0.0005","105.103","0.002","98.057","0.002","99.489","0.002","1991.7","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H31 Br2 F3 N3 Nd O11 S -","- C31 H31 Br2 F3 N3 Nd O11 S -","- C62 H62 Br4 F6 N6 Nd2 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0378","0.0367","","","0.0944","0.0952","","","","","","1.05","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232380","18.5943","0.0002","25.8101","0.0004","9.772","0.00013","90","","102.343","0.0013","90","","4581.38","0.11","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.58 H47 Br1.42 F4.73 N3 O21.15 S1.58 Tb -","- C31.577 H31 Br1.423 F4.731 N3 O13.154 S1.577 Tb -","- C126.308 H124 Br5.692 F18.924 N12 O52.616 S6.308 Tb4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0637","0.0571","","","0.1567","0.1651","","","","","","1.04","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232381","18.6774","0.0006","25.6718","0.0007","9.756","0.0003","90","","102.421","0.003","90","","4568.3","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.55 H43 Br1.45 Eu F4.64 N3 O19.1 S1.55 -","- C31.548 H31 Br1.452 Eu F4.644 N3 O13.096 S1.548 -","- C126.192 H124 Br5.808 Eu4 F18.576 N12 O52.384 S6.192 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0987","0.0835","","","0.2359","0.2492","","","","","","1.08","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232382","10.1269","0.0003","14.2176","0.0004","34.2981","0.0006","89.1178","0.0019","87.111","0.002","87.308","0.003","4926.1","0.2","123","0.1","123","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65.9 H86 Br0.1 F17.7 N6 O47.45 S5.9 Sm2 -","- C65.9 H62 Br0.1 F17.7 N6 O35.45 S5.9 Sm2 -","- C131.8 H124 Br0.2 F35.4 N12 O70.9 S11.8 Sm4 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0845","0.0694","","","0.176","0.1891","","","","","","1.022","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232383","9.5796","0.0003","12.0095","0.0007","18.6284","0.0005","104.551","0.004","98.841","0.003","102.169","0.004","1978.82","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N6 O22 Y -","- C30 H31 N6 O17 Y -","- C60 H62 N12 O34 Y2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0593","0.0551","","","0.1496","0.1527","","","","","","1.109","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232384","8.7309","0.0009","12.2707","0.0011","19.3079","0.0011","106.661","0.007","100.429","0.007","91.716","0.008","1941.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Br2 N3 Nd O15 -","- C32 H44 Br2 N3 Nd O15 -","- C64 H88 Br4 N6 Nd2 O30 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0272","0.0251","","","0.0589","0.06","","","","","","1.007","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232385","9.5948","0.0006","12.3229","0.0009","18.8983","0.0013","106.033","0.006","99.619","0.006","99.928","0.006","2060.3","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 N6 Nd O23 -","- C30 H31 N6 Nd O18.001 -","- C60 H62 N12 Nd2 O36.002 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0415","0.0401","","","0.1081","0.1098","","","","","","1.03","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232386","9.1863","0.0006","16.2887","0.0012","17.375","0.0014","90","","99.022","0.007","90","","2567.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29.5 N5.5 O6 Zn -","- C23 H29.5 N5.5 O6 Zn -","- C92 H118 N22 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0621","0.055","","","0.1416","0.1467","","","","","","1.156","","","","has coordinates,has disorder","223645","2020-10-21","18:00:00",""
"7232387","9.7202","0.0006","23.5966","0.0013","12.3749","0.0007","90","","111.874","0.008","90","","2634","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 N10 O10 Zn2 -","- C60 H44 N10 O10 Zn2 -","- C120 H88 N20 O20 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1285","0.0612","","","0.1045","0.1222","","","","","","1.006","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232388","8.8216","0.0004","17.2271","0.0009","18.351","0.0009","90","","102.417","0.007","90","","2723.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N10 O12 Zn2 -","- C52 H52 N10 O12 Zn2 -","- C104 H104 N20 O24 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1425","0.0785","","","0.153","0.1786","","","","","","1.079","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232389","9.1986","0.0007","24.7507","0.0016","12.266","0.0008","90","","111.586","0.008","90","","2596.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 O6 Zn -","- C28 H21 N7 O6 Zn -","- C112 H84 N28 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0392","0.031","","","0.0741","0.0773","","","","","","1.018","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232391","7.0839","0.0003","10.8648","0.0006","10.9553","0.0006","90.615","0.005","94.232","0.004","107.982","0.005","799.3","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N3 O3 -","- C16 H18 Cl N3 O3 -","- C32 H36 Cl2 N6 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0546","0.0487","","","0.1276","0.1368","","","","","","1.099","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232392","11.8236","0.0006","8.6618","0.0003","12.0259","0.0006","90","","113.493","0.006","90","","1129.53","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.04","0.0363","","","0.0946","0.0983","","","","","","1.077","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232393","7.0323","0.0003","8.6204","0.0004","13.7182","0.0006","105.738","0.002","94.77","0.002","103.82","0.002","767.47","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C32 H32 N8 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0372","0.0324","","","0.0903","0.102","","","","","","1.099","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232394","3.9393","0.0001","13.8586","0.0004","21.9545","0.0007","90","","93.737","0.003","90","","1196.02","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0365","0.0309","","","0.0715","0.0761","","","","","","1.101","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232395","3.9592","0.0002","13.8353","0.0007","22.1033","0.0011","90","","93.241","0.005","90","","1208.81","0.11","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0757","0.058","","","0.1605","0.1889","","","","","","1.027","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232396","10.0695","0.0011","4.478","0.0005","23.887","0.003","90","","92.333","0.003","90","","1076.2","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0782","0.051","","","0.1367","0.1544","","","","","","1.087","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232397","8.455","0.003","9.0629","0.0013","9.75","0.02","90","","90.82","0.09","90","","747","1.6","293","2","293","2","","","101.325","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0682","0.0493","","","0.1218","0.1554","","","","","","1.165","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232398","8.2704","0.0011","8.9463","0.0009","9.698","0.016","90","","90.54","0.04","90","","717.5","1.2","293","2","293","2","","","140000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1003","0.0777","","","0.1946","0.2365","","","","","","1.094","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232399","7.8573","0.0004","8.5876","0.0004","9.533","0.005","90","","90.103","0.011","90","","643.2","0.3","293","2","293","2","","","1375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0615","0.0496","","","0.1095","0.1211","","","","","","1.112","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232400","8.1489","0.0007","8.8529","0.0005","9.679","0.01","90","","90.55","0.02","90","","698.2","0.7","293","2","293","2","","","350000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0751","0.0575","","","0.1487","0.1706","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232401","7.78108","0.00018","8.47624","0.00015","9.491","0.002","90","","89.76","0.006","90","","625.97","0.13","293","2","293","2","","","1985000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0744","0.0635","","","0.1762","0.1966","","","","","","0.995","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232402","7.75291","0.00015","8.41359","0.00013","9.4554","0.0019","90","","89.589","0.005","90","","616.76","0.12","293","2","293","2","","","2375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0782","0.0667","","","0.1763","0.1972","","","","","","1.15","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232403","6.6822","0.0005","8.4144","0.0004","10.572","0.006","90","","90","","90","","594.4","0.3","293","2","293","2","","","2510000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0998","0.067","","","0.1892","0.2263","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232404","6.528","0.0002","8.351","0.0003","10.604","0.004","90","","90","","90","","578.1","0.2","293","2","293","2","","","3065000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0529","0.0456","","","0.1161","0.1268","","","","","","1.134","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232405","6.6082","0.0004","8.3753","0.0004","10.595","0.006","90","","90","","90","","586.4","0.3","293","2","293","2","","","2780000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0572","0.0519","","","0.1398","0.1494","","","","","","1.13","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232406","7.8138","0.0002","8.5286","0.0002","9.499","0.004","90","","89.91","0.008","90","","633","0.3","293","2","293","2","","","1700000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0717","0.0522","","","0.1297","0.1533","","","","","","1.09","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232407","8.0397","0.0002","8.7626","0.0002","9.644","0.003","90","","90.266","0.007","90","","679.4","0.2","293","2","293","2","","","625000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1025","0.0781","","","0.2111","0.2579","","","","","","1.086","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232408","13.5987","0.0004","24.837","0.0006","17.1946","0.0005","90","","92.056","0.003","90","","5803.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O11 Zn2 -","- C68 H48 N4 O11 Zn2 -","- C272 H192 N16 O44 Zn8 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1085","0.0573","","","0.1246","0.1418","","","","","","1.091","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232409","13.5686","0.0004","24.9419","0.0007","17.0814","0.0006","90","","91.796","0.003","90","","5778","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cu2 N4 O11 -","- C68 H48 Cu2 N4 O11 -","- C272 H192 Cu8 N16 O44 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1343","0.0617","","","0.1338","0.1562","","","","","","1.034","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232410","16.174","0.002","16.174","0.002","16.357","0.003","90","","90","","90","","4279","1.1","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","Compound 3","","- C24 H12 Cu N O5 -","- C24 H12 Cu N O5 -","- C192 H96 Cu8 N8 O40 -","8","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.074","0.0621","","","0.1465","0.153","","","","","","1.045","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232411","8.7777","0.001","11.1568","0.0015","21.241","0.003","90","","96.632","0.004","90","","2066.2","0.5","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 I N S2 -","- C9 H6 I N S2 -","- C72 H48 I8 N8 S16 -","8","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0336","0.0307","","","0.0974","0.1095","","","","","","1.101","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232412","4.1078","0.0007","24.675","0.005","13.943","0.003","90","","118.785","0.007","90","","1238.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1094","0.0758","","","0.1622","0.1758","","","","","","1.042","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232413","12.526","0.0018","14.352","0.002","14.522","0.002","117.141","0.004","95.478","0.005","100.638","0.005","2234.6","0.6","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H8 I2 N2 S6 -","- C18 H8 I2 N2 S6 -","- C72 H32 I8 N8 S24 -","4","2","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1793","0.116","","","0.3164","0.3626","","","","","","1.079","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232414","8.1394","0.0007","6.9798","0.0007","22.487","0.002","90","","94.788","0.003","90","","1273.1","0.2","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0337","0.0306","","","0.0814","0.0834","","","","","","1.054","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232415","12.96","0.005","19.166","0.005","20.622","0.005","77.511","0.005","75.913","0.005","83.394","0.005","4840","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C0 H0 Cs9 K9 Mn Na0 Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1159","0.0664","","","0.1665","0.1906","","","","","","1.023","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232416","13.01","0.005","19.204","0.005","20.756","0.005","77.307","0.005","75.046","0.005","83.226","0.005","4877","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C0 H0 Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1371","0.0917","","","0.2492","0.2897","","","","","","1.056","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232417","12.999","0.005","19.174","0.005","20.681","0.005","77.303","0.005","75.251","0.005","83.327","0.005","4853","3","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C0 H0 Ca0 Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1152","0.0695","","","0.179","0.2085","","","","","","1.055","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232418","3.7235","0.0002","23.3797","0.001","7.9055","0.0003","90","","96.548","0.004","90","","683.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C24 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","x-ray","0.71073","MoKα","","0.0351","0.0324","","","0.09","0.0915","","","","","","1.067","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232419","24.171","0.004","3.7103","0.0005","32.824","0.005","90","","111.493","0.005","90","","2739","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C96 H96 Cl16 Cu8 N32 O16 -","8","1","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0742","0.0652","","","0.1799","0.1843","","","","","","1.102","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232420","3.8846","0.0007","23.76","0.005","7.9582","0.0013","90","","96.19","0.016","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0609","0.0481","","","0.075","0.0779","","","","","","1.2","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232421","3.797","0.0007","6.8449","0.0014","13.71","0.003","104.357","0.006","90.019","0.008","92.757","0.006","344.77","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0504","0.0371","","","0.0668","0.0709","","","","","","1.03","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232423","3.661","0.0004","6.626","0.0007","13.7328","0.0015","76.315","0.003","89.743","0.003","85.572","0.003","322.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0503","0.0422","","","0.1097","0.114","","","","","","1.083","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232424","3.9119","0.0007","13.828","0.002","13.5","0.002","90","","90.883","0.009","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.1148","0.0692","","","0.1306","0.1445","","","","","","1.12","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232425","12.564","0.0003","4.80981","0.00007","15.8319","0.0003","90","","112.756","0.003","90","","882.26","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C24 H60 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1216","0.1244","","","","","","1.078","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232426","4.84556","0.0001","20.5154","0.0005","21.945","0.0004","90","","90","","90","","2181.52","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N4 O3 -","- C18 H40 N4 O3 -","- C72 H160 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.123","0.1279","","","","","","1.042","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232427","26.1681","0.0006","4.81178","0.00018","16.5261","0.0005","90","","105.807","0.003","90","","2002.2","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H35 N5 O4 -","- C14 H35 N5 O4 -","- C56 H140 N20 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1514","0.1564","","","","","","1.077","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232428","25.636","0.0003","16.5436","0.0002","5.05085","0.00006","90","","90","","90","","2142.12","0.04","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C92 H128 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.04","0.0385","","","0.103","0.1059","","","","","","1.033","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232429","20.4259","0.0004","4.79492","0.00009","21.6606","0.0005","90","","102.636","0.002","90","","2070.07","0.08","293","2","293","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C15 H31.56 N4 O2 -","- C15 H31.7 N4 O2 -","- C60 H126.8 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1717","0.1775","","","","","","1.039","","","","has coordinates,has disorder","223650","2020-10-21","18:00:00",""
"7232430","5.01883","0.00014","16.5007","0.0005","25.5451","0.0007","90","","90","","90","","2115.5","0.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C22 H31 N5 O2 -","- C22 H31 N5 O2 -","- C88 H124 N20 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0451","0.0404","","","0.1084","0.1119","","","","","","1.036","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232433","12.6244","0.0003","15.2868","0.0004","38.1764","0.0008","90","","97.201","0.002","90","","7309.4","0.3","130","2","130","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F8 O10 Zn -","- C20 H18 F8 O10 Zn -","- C240 H216 F96 O120 Zn12 -","12","3","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0393","0.0284","","","0.0709","0.0771","","","","","","1.044","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232434","19.7538","0.0004","10.54","0.0002","23.0099","0.0005","90","","90.091","0.002","90","","4790.77","0.17","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 F8 N2 O4 Zn -","- C24 H12 F8 N2 O4 Zn -","- C192 H96 F64 N16 O32 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.032","0.0264","","","0.0628","0.0652","","","","","","1.047","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232435","10.2288","0.0005","15.2173","0.0007","15.2087","0.0006","90","","90","","90","","2367.31","0.18","130","2","130","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C40 H28 F16 O14 Zn2 -","- C40 H28 F16 O14 Zn2 -","- C80 H56 F32 O28 Zn4 -","2","0.25","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0326","0.0314","","","0.077","0.0782","","","","","","1.034","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232436","14.925","0.0012","5.4485","0.0004","27.4123","0.0015","90","","101.413","0.006","90","","2185.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F8 N4 O5 Zn -","- C20 H12 F8 N4 O5 Zn -","- C80 H48 F32 N16 O20 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0886","0.073","","","0.2119","0.2278","","","","","","1.05","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232437","13.3346","0.0004","15.4645","0.0004","10.9486","0.0003","90","","94.46","0.003","90","","2250.91","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F8 O8 Zn -","- C19 H16 F8 O8 Zn -","- C76 H64 F32 O32 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0684","0.0732","","","","","","1.044","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232438","17.6709","0.0004","18.1755","0.0007","17.705","0.0004","90","","91.349","0.002","90","","5684.9","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H106 F32 O45 Zn8 -","- C71 H52 F32 O32 Zn8 -","- C142 H104 F64 O64 Zn16 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0702","0.067","","","0.1851","0.1882","","","","","","1.032","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232439","10.474","0.0005","17.8233","0.0009","11.7087","0.0005","90","","107.009","0.0013","90","","2090.18","0.17","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0621","0.06","","","0.1833","0.186","","","","","","1.059","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232440","10.5958","0.0017","17.944","0.002","11.8027","0.0019","90","","107.323","0.006","90","","2142.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0692","0.0658","","","0.1942","0.1991","","","","","","1.069","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232446","14.8436","0.0005","27.5747","0.0008","16.3246","0.0005","90","","90","","90","","6681.8","0.4","200","0.14","200","0.14","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C192 H128 N48 O32 Zn16 -","8","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0851","0.0656","","","0.1785","0.1919","","","","","","1.085","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232447","11.2067","0.0005","11.2671","0.0006","11.6106","0.0005","90","","104.136","0.004","90","","1421.64","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N3 O2 Zn -","- C12 H8 N3 O2 Zn -","- C48 H32 N12 O8 Zn4 -","4","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0655","0.0463","","","0.119","0.1315","","","","","","1.031","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232448","13.5403","0.0003","14.7298","0.0003","16.54","0.0003","90","","90.2418","0.0018","90","","3298.81","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C96 H64 N24 O16 Zn8 -","4","0.5","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.113","0.1149","","","","","","1.112","","","","has coordinates,has disorder","223735","2020-10-21","18:00:00",""
"7232449","8.2598","0.0006","13.977","0.0011","30.125","0.002","90","","90","","90","","3477.8","0.4","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C61 H60 N16 O14 Zn2 -","- C61 H60 N16 O14 Zn2 -","- C122 H120 N32 O28 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.0733","0.0597","","","0.1303","0.1336","","","","","","1.074","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232450","10.772","0.005","30.453","0.014","10.404","0.005","90","","102.632","0.007","90","","3330","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N7 O7 Zn -","- C34 H31 N7 O7 Zn -","- C136 H124 N28 O28 Zn4 -","4","1","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.1108","0.071","","","0.1545","0.1646","","","","","","1.014","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232451","12.8262","0.0005","9.7712","0.0004","11.9065","0.0005","90","","94.822","0.001","90","","1486.93","0.1","99.96","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(en-N)(en-N,N')](NO3)2","(ethylenediamine-N)-bis(ethylenediamine-N,N')-copper(II) bis(nitrate)","","- C6 H24 Cu N8 O6 -","- C6 H24 Cu N8 O6 -","- C24 H96 Cu4 N32 O24 -","4","1","","Sharma, Jai; Jiang, Zhelong; Bhutani, Ankita; Behera, Piush; Shoemaker, Daniel P.","A unique copper coordination structure with both mono- and bi-dentate ethylenediamine ligands","CrystEngComm","2019","21","17","2718","","10.1039/C8CE02188K","","x-ray","0.71073","MoKα","","0.0235","0.0204","","","0.0477","0.0489","","","","","","1.092","","","","has coordinates","223584","2020-10-21","18:00:00",""
"7232452","11.9283","0.0006","6.5439","0.0003","6.8123","0.0003","90","","105.114","0.002","90","","513.36","0.04","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0483","0.0437","","","0.1189","0.1223","","","","","","1.079","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232453","20.5483","0.0012","16.1886","0.001","4.8655","0.0002","90","","90","","90","","1618.5","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 Ag2 N6 O7 -","- C11 H14 Ag2 N6 O7 -","- C44 H56 Ag8 N24 O28 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0318","0.025","","","0.0584","0.0626","","","","","","1.027","","","","has coordinates,has disorder","223736","2020-10-21","18:00:00",""
"7232454","6.1112","0.0003","9.566","0.0005","10.6221","0.0006","63.173","0.002","82.885","0.002","89.971","0.002","548.79","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","1","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0211","0.0204","","","0.0477","0.048","","","","","","1.052","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232455","10.6098","0.0004","7.332","0.0003","16.7744","0.0007","90","","101.451","0.002","90","","1278.92","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 N4 O6 S2 -","- C24 H24 Ag2 N4 O6 S2 -","- C48 H48 Ag4 N8 O12 S4 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0642","0.0474","","","0.1134","0.1239","","","","","","1.05","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232456","13.5975","0.0007","13.8536","0.0007","19.2691","0.0009","90","","92.402","0.003","90","","3626.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C124 H128 Ag8 Cl8 F24 N48 Si4 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0791","0.0468","","","0.1132","0.1259","","","","","","1.048","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232457","9.8391","0.0004","6.9334","0.0003","10.9235","0.0005","90","","103.517","0.002","90","","724.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag2 N6 O6 -","- C10 H10 Ag2 N6 O6 -","- C20 H20 Ag4 N12 O12 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0205","0.0194","","","0.0446","0.0454","","","","","","1.049","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232458","31.402","0.006","21.109","0.004","31.916","0.006","90","","112.57","0.03","90","","19536","8","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C122 H72 Co4 N16 O16 -","- C122 H72 Co4 N16 O16 -","- C488 H288 Co16 N64 O64 -","4","1","","Hua, Carol; D'Alessandro, Deanna M.","Electrochemical and spectroscopic properties of a cobalt framework with (3,7)-c topology","CrystEngComm","2019","21","14","2381","","10.1039/C9CE00050J","","","0.71073","Synchrotron","","0.0924","0.0751","","","0.2312","0.2443","","","","","","1.086","","","","has coordinates","223644","2020-10-21","18:00:00",""
"7232459","12.1508","0.0008","14.253","0.0008","14.6096","0.0015","109.838","0.002","105.079","0.002","105.393","0.002","2116.6","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0561","0.0354","","","0.0804","0.0887","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232460","7.3028","0.0001","9.9693","0.0002","12.9323","0.0002","97.374","0.001","99.698","0.001","92.89","0.001","917.89","0.03","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.025","0.0241","","","0.0585","0.0591","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232461","12.4212","0.0004","14.1095","0.0005","15.4139","0.0008","105.001","0.002","101.599","0.002","111.566","0.001","2290.95","0.17","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0724","0.0522","","","0.1275","0.1409","","","","","","0.994","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232462","7.4499","0.0003","9.9281","0.0004","12.0888","0.0005","88.806","0.001","72.724","0.001","84.926","0.001","850.43","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0239","0.0231","","","0.0548","0.0552","","","","","","1.091","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232463","23.888","0.0006","14.0385","0.0003","9.7174","0.0003","90","","97.927","0.001","90","","3227.61","0.15","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H36 Cd N4 O12 S2 -","- C26 H36 Cd N4 O12 S2 -","- C104 H144 Cd4 N16 O48 S8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0675","0.0567","","","0.1532","0.1634","","","","","","1.069","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232464","9.5864","0.0001","12.4322","0.0002","15.9217","0.0002","69.205","0.001","72.478","0.001","73.295","0.001","1656.57","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cd N6 O12 -","- C28 H38 Cd N6 O12 -","- C56 H76 Cd2 N12 O24 -","2","2","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0533","0.0467","","","0.1237","0.1304","","","","","","1.079","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232465","16.927","0.012","11.672","0.012","5.263","0.004","90","","107.16","0.01","90","","993.5","1.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi3 Fe Mo2 O12 -","- Bi3 Fe Mo2 O12 -","- Bi12 Fe4 Mo8 O48 -","4","0.5","","Li, Conggang; Gao, Zeliang; Tian, Xiangxin; Zhang, Junjie; Ju, Dianxing; Wu, Qian; Lu, Weiqun; Sun, Youxuan; Cui, Deliang; Tao, Xutang","Bulk crystal growth and characterization of the bismuth ferrite-based material Bi3FeO4(MoO4)2","CrystEngComm","2019","21","15","2508","","10.1039/C8CE02137F","","","0.71073","MoKα","","0.0584","0.0482","","","0.1203","0.1254","","","","","","1.018","","","","has coordinates","223678","2020-10-21","18:00:00",""
"7232469","12.28107","0.00012","25.8112","0.0003","11.74661","0.00012","90","","102.728","0.001","90","","3632.05","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C104 H168 Ag20 F12 N6 O8 S16 -","4","1","","Wang, Jie; Li, Yan-Ling; Wang, Zhao-Yang; Zang, Shuang-Quan","A robust wave-like silver‒thiolate chain based metal‒organic network: synthesis, structure and luminescence","CrystEngComm","2019","21","14","2264","","10.1039/C9CE00054B","","x-ray","1.54184","CuKα","","0.0546","0.0518","","","0.1369","0.1389","","","","","","1.047","","","","has coordinates,has disorder","223647","2020-10-21","18:00:00",""
"7232470","23.393","0.01","9.538","0.004","15.832","0.007","90","","90","","90","","3532","3","203","2","203","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","0.5","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.1744","0.0866","","","0.2404","0.2946","","","","","","1.054","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232471","7.727","0.002","11.231","0.003","17.977","0.005","73.848","0.004","79.22","0.004","86.104","0.004","1471.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F6 I2 N2 O4 -","- C28 H24 F6 I2 N2 O4 -","- C56 H48 F12 I4 N4 O8 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0533","0.0452","","","0.1425","0.1596","","","","","","1.045","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232472","9.613","0.0006","15.5774","0.001","16.88","0.0011","69.045","0.002","76.089","0.002","82.935","0.002","2289.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 F8 I2 N4 O7 -","- C39 H46 F8 I2 N4 O7 -","- C78 H92 F16 I4 N8 O14 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0656","0.0588","","","0.1639","0.1694","","","","","","1.071","","","","has coordinates,has disorder","223610","2020-10-21","18:00:00",""
"7232473","9.3189","0.0003","16.8147","0.0005","18.319","0.0006","116.249","0.001","96.238","0.001","100.841","0.001","2467.84","0.14","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 F6 I3 N4 O6 -","- C43 H46 F6 I3 N4 O6 -","- C86 H92 F12 I6 N8 O12 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0514","0.0359","","","0.0827","0.0919","","","","","","1.032","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232474","8.6303","0.0002","14.1861","0.0004","31.0691","0.0009","90","","93.665","0.001","90","","3796.02","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N4 O10 -","- C38 H50 N4 O10 -","- C152 H200 N16 O40 -","4","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0749","0.0634","","","0.1737","0.186","","","","","","1.034","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232475","43.58","0.009","41.907","0.008","12.364","0.002","90","","92.96","0.03","90","","22550","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris-silver-bis-N,N?,N?-tris(2-(pyridin-4-yl)ethyl)-1,3,5-benzenetricarboxamide triflate","","- C63 H60 Ag3 F9 N12 O15 S3 -","- C62 H60 Ag3 F6 N12 O12 S2 -","- C496 H480 Ag24 F48 N96 O96 S16 -","8","1","","Lee, Daseul; Kim, Dongwon; Lee, Haeri; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Adsorption of anthracene substitutes into suprachannels: bulk vs. included guests","CrystEngComm","2019","21","14","2303","","10.1039/C8CE02185F","","","0.75","synchrotron","","0.1514","0.1324","","","0.4096","0.4536","","","","","","1.99","","","","has coordinates,has disorder","223648","2020-10-21","18:00:00",""
"7232476","4.4942","0.0006","16.396","0.002","9.0283","0.0012","90","","89.977","0.007","90","","665.27","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0826","0.0389","","","0.0672","0.0739","","","","","","0.761","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232477","5.2351","0.0003","22.4779","0.0013","8.4174","0.0005","90","","94.301","0.004","90","","987.72","0.1","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0681","0.0482","","","0.106","0.1126","","","","","","1.047","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232478","4.5039","0.0001","16.389","0.0006","8.8561","0.0003","90","","91.271","0.002","90","","653.55","0.04","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71069","MoKα","","0.0418","0.0328","","","0.0893","0.0934","","","","","","1.076","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232479","5.2638","0.0007","22.58","0.003","8.5353","0.0011","90","","93.269","0.007","90","","1012.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.174","0.0742","","","0.2101","0.2378","","","","","","0.972","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232480","10.9713","0.0003","12.5068","0.0003","12.1087","0.0003","90","","90.476","0.001","90","","1661.45","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Hg I2 N3 O2 -","- C12 H13 Hg I2 N3 O2 -","- C48 H52 Hg4 I8 N12 O8 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0587","0.0552","","","0.1217","0.1229","","","","","","1.37","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232481","7.9879","0.0014","13.791","0.002","12.334","0.002","90","","93.939","0.002","90","","1355.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 Hg N3 O -","- C11 H9 Br2 Hg N3 O -","- C44 H36 Br8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0846","0.0817","","","0.1776","0.1787","","","","","","1.421","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232482","7.9213","0.0006","13.4161","0.001","11.9553","0.0009","90","","95.349","0.002","90","","1264.99","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 Hg N3 O -","- C11 H9 Cl2 Hg N3 O -","- C44 H36 Cl8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0952","0.0926","","","0.2072","0.2081","","","","","","1.528","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232483","3.8737","0.0003","21.9191","0.0016","10.6759","0.0008","90","","95.751","0.002","90","","901.91","0.12","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0408","0.0346","","","0.0789","0.0817","","","","","","1.054","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7232484","8.0392","0.0007","14.4602","0.0012","12.4285","0.001","90","","92.449","0.002","90","","1443.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd I2 N3 O -","- C11 H9 Cd I2 N3 O -","- C44 H36 Cd4 I8 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0698","0.0601","","","0.1187","0.1242","","","","","","1.177","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232485","12.3192","0.0003","22.2133","0.0006","24.4657","0.0013","90","","94.038","0.004","90","","6678.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H126 N18 Ni13 O98 P2 W18 -","- C32 H92 N18 Ni13 O98 P2 W18 -","- C64 H184 N36 Ni26 O196 P4 W36 -","2","0.5","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.14","0.0862","","","0.1918","0.2179","","","","","","1.064","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232486","13.3441","0.0003","14.2773","0.0003","36.0138","0.0011","90","","90","","90","","6861.3","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H67 N10 Ni7 O53 P W9 -","- C18 H47 N10 Ni7 O53 P W9 -","- C72 H188 N40 Ni28 O212 P4 W36 -","4","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.057","0.051","","","0.1105","0.1137","","","","","","1.042","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232487","21.5089","0.0016","21.5089","0.0016","58.751","0.005","90","","90","","120","","23539","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.67 H32 N6.67 Ni5 O33.67 P0.67 W6 -","- C16.6667 H4 N6.66667 Ni5 O33.6667 P0.666667 W6 -","- C300 H72 N120 Ni90 O606 P12 W108 -","18","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.0941","0.0712","","","0.2003","0.2162","","","","","","1.044","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232488","13.2457","0.0005","11.445","0.0005","13.8215","0.0006","90","","101.881","0.001","90","","2050.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co3 N6 O18 -","- C40 H30 Co3 N6 O18 -","- C80 H60 Co6 N12 O36 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0467","0.0344","","","0.0833","0.0882","","","","","","1.041","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232489","13.306","0.006","9.76","0.004","18.493","0.008","90","","93.339","0.007","90","","2397.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Co3 N6 O16 -","- C46 H42 Co3 N6 O16 -","- C92 H84 Co6 N12 O32 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0554","0.0457","","","0.1359","0.1519","","","","","","1.089","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232490","25.3565","0.0011","9.444","0.0004","18.7778","0.0008","90","","105.363","0.001","90","","4336","0.3","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl2 Co3 N4 O14 -","- C40 H30 Cl2 Co3 N4 O14 -","- C160 H120 Cl8 Co12 N16 O56 -","4","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0462","0.0365","","","0.0889","0.0934","","","","","","1.026","","","","has coordinates,has disorder","223680","2020-10-21","18:00:00",""
"7232492","11.921","0.003","16.418","0.004","10.642","0.002","90","","104.408","0.005","90","","2017.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","F5BAI-PyrThio2","","- C21 H9 F5 I N S2 -","- C21 H9 F5 I N S2 -","- C84 H36 F20 I4 N4 S8 -","4","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","0.71073","MoKα","K-L~3~","0.0306","0.0234","","","0.05","0.0526","","","","","","1.029","","","","has coordinates,has disorder","223618","2020-10-21","18:00:00",""
"7232493","8.698","0.0015","10.4998","0.0015","12.215","0.002","86.922","0.007","70.756","0.006","68.527","0.004","977.3","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","F5BAI-PyrFur2","","- C21 H9 F5 I N O2 -","- C21 H9 F5 I N O2 -","- C42 H18 F10 I2 N2 O4 -","2","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","223618","2020-10-21","18:00:00",""
"7232494","15.827","0.005","13.169","0.005","10.544","0.004","90","","106.918","0.006","90","","2102.5","1.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Wang, Hai-Yan; Kong, Lin; Zhu, Shu-Juan; Zhou, Hong-Ping; Yang, Jia-Xiang","Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external environments","CrystEngComm","2019","21","17","2736","","10.1039/C8CE01940A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1002","0.113","","","","","","1.038","","","","has coordinates","223585","2020-10-21","18:00:00",""
"7232497","7.4674","0.0016","15.866","0.003","24.954","0.006","97.734","0.009","93.796","0.012","93.228","0.008","2916.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pimelic acid_isonicotinamide (1:2) cocrystal","","","- C57 H72 N12 O18 -","- C57 H72 N12 O18 -","- C114 H144 N24 O36 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.0418","0.0357","","","0.1098","0.1151","","","","","","1.032","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232498","7.6025","0.0005","8.5644","0.0004","17.657","0.0009","91.672","0.004","95.094","0.005","103.671","0.005","1111.18","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Azelaic acid_isonicotinamide 1:2 cocrystal","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C42 H56 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1146","0.0689","","","0.1602","0.1881","","","","","","0.902","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232499","7.38","0.03","8.39","0.03","9.02","0.03","92.46","0.05","96.65","0.04","91.65","0.04","554","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sebacic acid: isonicotinamide 1:2 cocrystal","","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1648","0.0936","","","0.1967","0.2502","","","","","","1.065","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232500","7.69","0.012","8.987","0.015","16.77","0.03","96.724","0.006","96.41","0.02","115.163","0.015","1025","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Suberic acid_isonicotinamide (1:2) cocrystal","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1018","0.068","","","0.1654","0.1971","","","","","","1.111","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232504","16.0893","0.0006","6.8295","0.0003","18.8185","0.0008","90","","90","","90","","2067.81","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cd Cl3 N -","- C5 H14 Cd Cl3 N -","- C40 H112 Cd8 Cl24 N8 -","8","1","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.066","0.0555","","","0.1624","0.1704","","","","","","1.03","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232505","9.5032","0.0003","9.5032","0.0003","6.8345","0.0004","90","","90","","120","","534.54","0.04","363","2","363","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C5 H14 Cd Cl3 N -","- C5 H13.92 Cd Cl3 N -","- C10 H27.84 Cd2 Cl6 N2 -","2","0.0833333","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.0423","0.0383","","","0.1166","0.1219","","","","","","1.008","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232506","18.2461","0.001","10.1265","0.0006","23.6108","0.0014","90","","91.8549","0.0018","90","","4360.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H68 N2 O5 -","- C48 H68 N2 O5 -","- C192 H272 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0734","0.055","","","0.1315","0.1457","","","","","","1.073","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232507","12.4123","0.0006","11.9482","0.0006","16.985","0.0008","90","","110.83","0.002","90","","2354.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H78 N2 O5 -","- C53 H78 N2 O5 -","- C106 H156 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.037","0.0315","","","0.0687","0.0716","","","","","","1.087","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232508","12.1746","0.0009","12.1005","0.0009","16.8114","0.0012","90","","103.777","0.004","90","","2405.4","0.3","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 N2 O5 -","- C54 H80 N2 O5 -","- C108 H160 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0557","0.0435","","","0.0839","0.0892","","","","","","1.107","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232509","18.4512","0.0005","10.2622","0.0003","25.1817","0.0007","90","","109.629","0.0014","90","","4491.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 N2 O5 -","- C50 H72 N2 O5 -","- C200 H288 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0663","0.0506","","","0.1208","0.1291","","","","","","1.029","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232510","19.0707","0.0009","11.2605","0.0005","21.8074","0.001","90","","96.848","0.003","90","","4649.6","0.4","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H76 N2 O5 -","- C52 H76 N2 O5 -","- C208 H304 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0509","0.0441","","","0.0967","0.1006","","","","","","1.059","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232511","6.1434","0.0006","18.1087","0.0017","39.29","0.004","90","","90","","90","","4371","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H70 N2 O5 -","- C49 H70 N2 O5 -","- C196 H280 N8 O20 -","4","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.1018","0.0992","","","0.2103","0.2115","","","","","","1.12","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232512","7.8033","0.0016","10.566","0.002","5.7294","0.0011","90","","90","","90","","472.39","0.16","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd2 F2 O3 Se -","- Cd2 F2 O3 Se -","- Cd8 F8 O12 Se4 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0354","0.0343","","","0.0824","0.083","","","","","","1.246","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232513","7.2758","0.0015","10.042","0.002","5.2562","0.0011","90","","90","","90","","384.04","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 O3 Se Zn2 -","- F2 O3 Se Zn2 -","- F8 O12 Se4 Zn8 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0244","0.0242","","","0.0621","0.0622","","","","","","1.255","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232524","13.6221","0.0018","5.507","0.001","16.919","0.002","90","","100.303","0.011","90","","1248.7","0.3","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Br2 F4 N6 O2 Zn -","- C22 H14 Br2 F4 N6 O2 Zn -","- C44 H28 Br4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.071","0.0615","","","0.1342","0.1512","","","","","","1.01","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232525","13.349","0.005","5.3648","0.0013","17.035","0.006","90","","101.02","0.03","90","","1197.5","0.7","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Cl2 F4 N6 O2 Zn -","- C22 H14 Cl2 F4 N6 O2 Zn -","- C44 H28 Cl4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.0915","0.09","","","0.1417","0.1591","","","","","","1.012","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232526","8.1277","0.0008","12.0713","0.0016","25.815","0.002","90","","95.384","0.007","90","","2521.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 I2 N6 O2 Zn -","- C22 H14 F4 I2 N6 O2 Zn -","- C88 H56 F16 I8 N24 O8 Zn4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.09","0.0787","","","0.1184","0.1429","","","","","","1.001","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232530","9.8073","0.0007","10.2949","0.0007","15.0299","0.0008","89.515","0.005","89.492","0.005","66.462","0.007","1391.16","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O2 P S -","- C29 H23 Cu N5 O2 P S -","- C58 H46 Cu2 N10 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1211","0.0628","","","0.1495","0.1886","","","","","","1.047","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232531","9.8681","0.0013","10.5055","0.0014","15.218","0.002","86.886","0.011","88.725","0.011","66.073","0.013","1439.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O P S2 -","- C29 H23 Cu N5 O P S2 -","- C58 H46 Cu2 N10 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1436","0.0669","","","0.1619","0.2435","","","","","","1.021","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232532","9.796","0.0015","12.651","0.003","12.905","0.002","63.694","0.019","84.05","0.014","71.894","0.016","1361.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O P S5 -","- C24 H18 Cu N4 O P S5 -","- C48 H36 Cu2 N8 O2 P2 S10 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1478","0.0913","","","0.2331","0.3017","","","","","","1.013","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232533","9.8303","0.0007","12.5727","0.0012","12.6202","0.0012","65.192","0.009","85.784","0.007","71.776","0.008","1341.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O2 P S4 -","- C24 H18 Cu N4 O2 P S4 -","- C48 H36 Cu2 N8 O4 P2 S8 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1034","0.0583","","","0.1239","0.1492","","","","","","1","","","","has coordinates,has disorder","223609","2020-10-21","18:00:00",""
"7232534","14.141","0.003","15.307","0.003","19.905","0.004","67.42","0.03","77.79","0.03","83.87","0.03","3886.7","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","nicosulfuron","","- C15 H20 N6 O7 S -","- C15 H20 N6 O7 S -","- C120 H160 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1333","0.0873","","","0.2068","0.2401","","","","","","1.125","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232535","23.197","0.005","14.331","0.003","13.596","0.003","90","","112.54","0.03","90","","4174.5","1.8","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N7 O6 S -","- C17 H21 N7 O6 S -","- C136 H168 N56 O48 S8 -","8","1","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.0785","0.0595","","","0.1226","0.1328","","","","","","1.142","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232536","7.8533","0.0016","20.401","0.004","25.859","0.005","85.55","0.03","83.76","0.03","85.07","0.03","4093.5","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 S -","- C16 H22 N6 O7 S -","- C128 H176 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1316","0.0684","","","0.156","0.1946","","","","","","0.988","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232537","18.96","0.003","6.7993","0.0011","29.935","0.005","90","","91.638","0.014","90","","3857.5","1.1","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","PRX-OXA","Paroxetine oxalate","","- C40 H44 F2 N2 O11 -","- C40 H42 F2 N2 O11 -","- C160 H168 F8 N8 O44 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","x-ray","0.71073","MoKα","","0.1338","0.0774","","","0.2097","0.2645","","","","","","1.021","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232538","7.2223","0.0003","7.995","0.001","18.538","0.002","78.672","0.01","82.396","0.005","85.86","0.007","1039.17","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-FUM","Paroxetine fumarate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C46 H48 F2 N2 O14 -","2","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0432","0.0394","","","0.1026","0.1061","","","","","","1.048","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232539","14.3395","0.0017","7.9557","0.0009","19.608","0.002","90","","97.036","0.002","90","","2220.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","PRX-TART","Paroxetine tartrate","","- C23 H27 F N O9.5 -","- C23 H27 F N O9.5 -","- C92 H108 F4 N4 O38 -","4","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.052","0.0414","","","0.0961","0.1024","","","","","","1.037","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232540","11.629","0.002","11.649","0.002","17.584","0.005","77.74","0.004","77.333","0.004","71.079","0.003","2172.6","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-MAL","Paroxetine maleate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C92 H96 F4 N4 O28 -","4","4","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0666","0.0654","","","0.1687","0.1708","","","","","","1.04","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232543","9.3936","0.0003","13.3227","0.0004","14.561","0.0004","70.316","0.002","88.607","0.002","80.167","0.002","1689.51","0.09","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C72 H64 N12 O8 -","2","1","","Chen, Shaojin; Zhang, Wenxuan; Liu, Wei; Ge, Zhaohai; Wang, Kun-Peng; Gan, Li-Hua; Hu, Zhi-Qiang","Binaphthanol-based organic fluorophores with color tunability and their optical properties","CrystEngComm","2019","21","17","2809","","10.1039/C9CE00170K","","x-ray","1.54178","CuKα","","0.0488","0.0455","","","0.1253","0.1311","","","","","","1.047","","","","has coordinates","223587","2020-10-21","18:00:00",""
"7232556","9.7009","0.0011","15.2187","0.0015","15.7698","0.0014","70.569","0.004","84.308","0.006","83.265","0.005","2175.9","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C90 H138 Ce2 O6 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0687","0.0399","","","0.0943","0.1071","","","","","","1.015","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232557","9.7113","0.0003","15.0872","0.0004","15.6649","0.0005","70.506","0.002","83.665","0.002","82.16","0.002","2138.2","0.11","160","2","160","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C90 H138 O6 Y2 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0682","0.0377","","","0.0864","0.0965","","","","","","1.005","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232558","9.691","0.0006","25.0295","0.0017","45.485","0.003","76.182","0.004","86.604","0.003","80.933","0.003","10577","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C450 H690 O30 Y10 -","10","5","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1354","0.0631","","","0.1284","0.1513","","","","","","1.014","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232559","9.7054","0.0005","25.1144","0.0012","17.7491","0.0009","92.271","0.003","91.056","0.003","98.699","0.003","4271.8","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C180 H276 O12 Y4 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1123","0.051","","","0.1048","0.1221","","","","","","1.032","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232560","9.648","0.0004","17.7941","0.0007","25.1982","0.001","92.202","0.002","97.768","0.002","91.001","0.002","4282","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C180 H276 Ce4 O12 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0461","0.0332","","","0.0749","0.08","","","","","","1.057","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232561","9.6914","0.0004","25.0653","0.001","35.4181","0.0014","92.297","0.002","91.122","0.002","98.89","0.002","8490.6","0.6","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C360 H552 O24 Y8 -","8","4","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1058","0.0572","","","0.1175","0.132","","","","","","1.056","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232565","7.6945","0.0001","6.9868","0.0001","15.1284","0.0003","90","","90","","90","","813.3","0.02","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 Ag N O4 -","- C3 Ag N O4 -","- C24 Ag8 N8 O32 -","8","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0284","0.028","","","","0.0754","","","","","","1.111","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232566","6.8003","0.0002","11.3128","0.0003","15.4766","0.0005","108.407","0.003","91.535","0.003","99.86","0.003","1108.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Ag2 N6 O16 -","- C16 H16 Ag2 N6 O16 -","- C32 H32 Ag4 N12 O32 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.037","0.0355","","","","0.0989","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232567","9.661","0.0004","6.841","0.0003","14.3353","0.0007","90","","97.453","0.004","90","","939.43","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Cu N2 O10 -","- C6 H4 Cu N2 O10 -","- C24 H16 Cu4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0399","0.0383","","","","0.1056","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232568","14.482","0.0008","14.482","0.0008","21.7912","0.0009","90","","90","","120","","3957.9","0.3","293","2","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C78 H48 Fe2 N18 Na2 O30 -","- C78 H48 Fe2 N18 Na2 O30 -","- C156 H96 Fe4 N36 Na4 O60 -","2","0.166667","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0848","0.0717","","","","0.2312","","","","","","1.069","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232569","9.7318","0.0004","6.8338","0.0004","14.4055","0.0007","90","","98.472","0.004","90","","947.59","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Co N2 O10 -","- C6 H4 Co N2 O10 -","- C24 H16 Co4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0434","0.0416","","","","0.1141","","","","","","1.233","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232570","11.7176","0.0001","28.5764","0.0002","13.3497","0.0001","90","","100.097","0.001","90","","4400.87","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C176 H131 Fe4 N40 Na4 O57.88 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0448","0.0438","","","","0.1234","","","","","","1.035","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232572","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232573","17.05","0.0007","9.8304","0.0004","9.3339","0.0003","90","","105.097","0.002","90","","1510.44","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C60 H84 N12 O8 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0115","3.84067","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232574","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232575","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers","CrystEngComm","2019","21","22","3395","","10.1039/C9CE00186G","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223491","2020-10-21","18:00:00",""
"7232576","4.2934","0.0003","6.2651","0.0004","13.2828","0.0008","101.118","0.005","96.9","0.005","98.117","0.005","343.05","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1034","0.1042","","","","","","1.137","","","","has coordinates,has disorder","223692","2020-10-21","18:00:00",""
"7232577","9.8371","0.0008","12.5539","0.001","21.3222","0.0015","90","","96.397","0.007","90","","2616.8","0.4","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 O4 -","- C28 H16 F4 I2 O4 -","- C112 H64 F16 I8 O16 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0865","0.0603","","","0.122","0.1334","","","","","","1.124","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232578","8.2542","0.0003","15.364","0.0005","10.5028","0.0005","90","","106.955","0.004","90","","1274.05","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 I2 O6 -","- C24 H20 F4 I2 O6 -","- C48 H40 F8 I4 O12 -","2","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0315","0.0238","","","0.0602","0.0644","","","","","","1.05","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232579","7.6135","0.0005","28.68","0.002","7.4414","0.0007","90","","98.956","0.007","90","","1605.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F4 I2 O3 -","- C14 H8 F4 I2 O3 -","- C56 H32 F16 I8 O12 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0811","0.0558","","","0.1105","0.1215","","","","","","1.196","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232580","8.1668","0.0005","8.4423","0.0006","10.8612","0.0005","100.288","0.005","105.696","0.005","110.297","0.006","644.64","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0402","0.0308","","","0.0723","0.0773","","","","","","1.143","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232581","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223605","2020-10-21","18:00:00",""
"7232586","12.029","0.003","14.609","0.003","11.379","0.002","90","","105.267","0.008","90","","1929.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F6 N4 O4 Pb -","- C19 H8 F6 N4 O4 Pb -","- C76 H32 F24 N16 O16 Pb4 -","4","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0631","0.0585","","","0.2327","0.2365","","","","","","1.112","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232587","8.6232","0.001","14.3867","0.0016","20.811","0.002","82.007","0.004","78.332","0.004","89.992","0.004","2502.8","0.5","258","2","258","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Er2 F12 N8 O19 -","- C40 H16 Er2 F12 N8 O19 -","- C80 H32 Er4 F24 N16 O38 -","2","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0894","0.0698","","","0.1815","0.1943","","","","","","1.12","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232588","36.599","0.0016","7.4499","0.0003","14.2144","0.0006","90","","101.811","0.003","90","","3793.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Mg N4 O5 -","- C19 H8 F6 Mg N4 O5 -","- C152 H64 F48 Mg8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0849","0.0489","","","0.1042","0.1219","","","","","","1.026","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232589","36.5822","0.0012","7.4122","0.0002","14.3145","0.0005","90","","101.916","0.002","90","","3797.8","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Fe N4 O5 -","- C19 H8 F6 Fe N4 O5 -","- C152 H64 F48 Fe8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0738","0.0439","","","0.0938","0.1082","","","","","","1.045","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232590","36.1261","0.001","7.4323","0.0002","14.6837","0.0004","90","","101.086","0.002","90","","3869","0.18","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 Cd F6 N4 O5 -","- C19 H8 Cd F6 N4 O5 -","- C152 H64 Cd8 F48 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0471","0.0328","","","0.067","0.0735","","","","","","1.056","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232591","36.737","0.007","7.4036","0.0015","14.345","0.003","90","","102.32","0.03","90","","3811.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 N4 O5 Zn -","- C19 H6 F6 N4 O5 Zn -","- C152 H48 F48 N32 O40 Zn8 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0888","0.0803","","","0.2313","0.2349","","","","","","1.107","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232597","10.373","0.0005","13.4532","0.0006","13.9106","0.0006","83.333","0.002","84.907","0.002","70.842","0.002","1818.66","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:anisole","","","- C47 H40 N2 O S2 -","- C47 H40 N2 O S2 -","- C94 H80 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0451","0.0352","","","0.0881","0.095","","","","","","1.033","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232598","8.9125","0.0005","9.0807","0.0005","13.0222","0.0006","90.729","0.002","109.691","0.002","111.869","0.002","909.28","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0552","0.0416","","","0.1027","0.1107","","","","","","1.043","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232599","8.9207","0.0004","9.1082","0.0004","12.6652","0.0006","91.979","0.002","107.947","0.002","111.131","0.002","900.79","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:anisole:water","","","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0488","0.0414","","","0.1075","0.1141","","","","","","1.036","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232600","10.5144","0.0006","13.7009","0.0007","13.7121","0.0007","84.337","0.002","70.982","0.002","87.993","0.002","1858.38","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0541","0.0441","","","0.1171","0.1271","","","","","","1.024","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232601","9.0063","0.0004","9.1151","0.0004","12.6154","0.0005","92.511","0.002","106.59","0.002","112.306","0.002","904.63","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:p-xylene","","","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0577","0.0425","","","0.1025","0.1115","","","","","","1.032","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232602","10.5363","0.0006","13.6858","0.0007","13.71","0.0007","95.756","0.002","108.128","0.002","90.207","0.002","1868.08","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:3-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0443","0.0354","","","0.0897","0.0959","","","","","","1.033","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232603","9.2867","0.0007","10.2931","0.0008","10.7281","0.0008","90.623","0.001","99.019","0.001","102.689","0.001","986.98","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0269","0.0256","","","0.0669","0.0677","","","","","","1.054","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232604","9.2905","0.0012","10.3007","0.0013","10.7373","0.0014","90.642","0.002","98.969","0.002","102.623","0.002","989.4","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0532","0.0398","","","0.1067","0.1189","","","","","","0.869","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232605","3.7455","0.0003","10.533","0.0006","21.5313","0.0012","90","","94.556","0.006","90","","846.75","0.1","250","","250","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H18 B2 N2 O10 -","- C14 H18 B2 N2 O10 -","- C28 H36 B4 N4 O20 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0415","0.0375","","","0.1024","0.1059","","","","","","1.079","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232606","12.3874","0.0006","10.7643","0.0004","8.761","0.0004","90","","98.765","0.005","90","","1154.56","0.09","298.15","","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H22 B2 N4 O8 -","- C24 H22 B2 N4 O8 -","- C48 H44 B4 N8 O16 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0601","0.0463","","","0.1125","0.1199","","","","","","1.066","","","","has coordinates,has disorder","223623","2020-10-21","18:00:00",""
"7232607","3.9208","0.0004","10.445","0.0009","29.717","0.003","90","","90.34","0.009","90","","1217","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 N2 O10 -","- C26 H26 B2 N2 O10 -","- C52 H52 B4 N4 O20 -","2","0.5","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0895","0.0574","","","0.1387","0.1677","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232608","10.5211","0.0005","21.0309","0.0009","7.6551","0.0004","90","","99.368","0.005","90","","1671.24","0.14","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 N2 O9 -","- C14 H16 B2 N2 O9 -","- C56 H64 B8 N8 O36 -","4","1","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.096","0.0514","","","0.1082","0.1298","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232609","17.7131","0.0009","7.5346","0.0004","16.195","0.0008","90","","90","","90","","2161.4","0.19","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Br2 Co N4 S2 -","- C20 H16 Br2 Co N4 S2 -","- C80 H64 Br8 Co4 N16 S8 -","4","0.5","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0301","0.0257","","","0.0643","0.0669","","","","","","1.07","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232610","12.8028","0.0005","18.2985","0.0007","25.461","0.001","90","","90","","90","","5964.8","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co I2 N4 O6 S2 -","- C20 H28 Co I2 N4 O6 S2 -","- C160 H224 Co8 I16 N32 O48 S16 -","8","1","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0457","0.0295","","","0.0581","0.0637","","","","","","1.043","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232618","20.6948","0.0009","19.1425","0.0007","7.5103","0.0002","90","","92.828","0.002","90","","2971.58","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodidobis(acetonitrile)hexacopper(I)","","- C22 H21 Cu6 I3 N2 S3 -","- C22 H21 Cu6 I3 N2 S3 -","- C88 H84 Cu24 I12 N8 S12 -","4","1","","Troyano, Javier; Castillo, Óscar; Amo-Ochoa, Pilar; Martínez, J. Ignacio; Zamora, Félix; Delgado, Salomé","Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties","CrystEngComm","2019","21","20","3232","","10.1039/C9CE00313D","","x-ray","0.71073","MoKα","","0.0956","0.0446","","","0.0864","0.1041","","","","","","1.014","","","","has coordinates","223619","2020-10-21","18:00:00",""
"7232619","18.636","0.003","14.5547","0.0019","27.872","0.004","90","","92.464","0.002","90","","7553.1","1.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 Au Br1.74 Cl0.26 O4 P3 S4 -","- C84 H68 Au Br1.7404 Cl0.2596 O4 P3 S4 -","- C336 H272 Au4 Br6.9616 Cl1.0384 O16 P12 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0978","0.0553","","","0.1224","0.1467","","","","","","1.067","","","","has coordinates","223685","2020-10-21","18:00:00",""
"7232620","24.0138","0.0004","7.3818","0.0004","25.0096","0.0007","90","","110.872","0.0007","90","","4142.4","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Au O6 P S4 -","- C44 H44 Au O6 P S4 -","- C176 H176 Au4 O24 P4 S16 -","4","0.5","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.68889","synchrotron","","0.0542","0.0289","","","0.0668","0.0895","","","","","","0.95","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232621","7.4715","0.0017","16.423","0.004","27.825","0.007","90","","90.076","0.003","90","","3414.2","1.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Au O4.5 P S4 -","- C36 H28 Au O4.5 P S4 -","- C144 H112 Au4 O18 P4 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0595","0.0462","","","0.1094","0.1177","","","","","","1.117","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232622","10.783","0.003","14.172","0.004","16.481","0.005","65.051","0.008","80.38","0.013","79.305","0.014","2232.7","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Au O5 P S4 -","- C40 H38 Au O5 P S4 -","- C80 H76 Au2 O10 P2 S8 -","2","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0614","0.0431","","","0.1028","0.1154","","","","","","0.994","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232623","5.235","0.0004","10.451","0.0009","13.2627","0.0011","80.451","0.003","85.302","0.003","83.095","0.003","708.95","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N5 O5 S2 -","- C9 H15 N5 O5 S2 -","- C18 H30 N10 O10 S4 -","2","1","","Song, Yu; Wang, Ling-Yang; Liu, Fang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Simultaneously enhancing the in vitro/in vivo performances of acetazolamide using proline as a zwitterionic coformer for cocrystallization","CrystEngComm","2019","21","19","3064","","10.1039/C9CE00270G","","","0.71073","MoKα","","0.0664","0.0505","","","0.1285","0.1389","","","","","","1.059","","","","has coordinates","223602","2020-10-21","18:00:00",""
"7232624","21.074","0.004","12.547","0.003","14.06","0.003","90","","105.68","0.03","90","","3579.3","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 N2 O8 -","- C40 H38 Cl2 N2 O8 -","- C160 H152 Cl8 N8 O32 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0777","0.0736","","","0.1923","0.194","","","","","","1.181","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232625","14.101","0.003","16.998","0.003","21.305","0.004","72.5","0.03","88.77","0.03","85.34","0.03","4854.1","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H93 Co4 N7 O23 -","- C89 H93 Co4 N7 O23 -","- C178 H186 Co8 N14 O46 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1208","0.0873","","","0.2379","0.2613","","","","","","1.032","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232626","16.204","0.004","13.645","0.005","22.195","0.004","90","","93.12","0.03","90","","4900","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N O5 -","- C20 H18 Cu N O5 -","- C160 H144 Cu8 N8 O40 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1669","0.1361","","","0.3374","0.3617","","","","","","1.131","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232627","25.007","0.005","34.875","0.007","16.063","0.003","90","","107.55","0.03","90","","13357","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cu2 N4 O11 -","- C46 H48 Cu2 N4 O11 -","- C368 H384 Cu16 N32 O88 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1204","0.0812","","","0.2369","0.2629","","","","","","1.041","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232628","19.276","0.004","13.237","0.003","19.747","0.004","90","","95.04","0.03","90","","5019.1","1.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd2 N2 O10 -","- C40 H36 Cd2 N2 O10 -","- C160 H144 Cd8 N8 O40 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1559","0.109","","","0.3039","0.3355","","","","","","1.051","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232629","8.865","0.0018","10.969","0.002","12.44","0.003","74.58","0.03","88.22","0.03","87.34","0.03","1164.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Mn N2 O5 -","- C24 H25 Mn N2 O5 -","- C48 H50 Mn2 N4 O10 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0621","0.0564","","","0.1463","0.1515","","","","","","1.049","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232630","10.954","0.002","13.627","0.003","14.312","0.003","101.03","0.03","106.14","0.03","94.29","0.03","1995.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cu2 N3 O9.5 -","- C43 H40 Cu2 N3 O9.5 -","- C86 H80 Cu4 N6 O19 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1077","0.0657","","","0.1659","0.1961","","","","","","1.024","","","","has coordinates,has disorder","223604","2020-10-21","18:00:00",""
"7232655","10.2009","0.0008","11.2819","0.0008","14.59","0.0012","100.549","0.003","98.728","0.005","95.222","0.005","1619.4","0.2","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1499","0.0915","","","0.2213","0.278","","","","","","0.864","","","","has coordinates","223622","2020-10-21","18:00:00",""
"7232656","10.51253","0.00019","11.3405","0.0002","14.6657","0.0003","98.3194","0.0009","100.576","0.0009","98.4908","0.0009","1673.12","0.06","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1282","0.0659","","","0.1124","0.1406","","","","","","0.827","","","","has coordinates","223622","2020-10-21","18:00:00",""
"7232657","20.076","0.005","19.744","0.004","14.25","0.003","90","","133.285","0.006","90","","4111.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H37 N9 O11 Zn2 -","- C18 H8 N5 O8 Zn2 -","- C72 H32 N20 O32 Zn8 -","4","0.5","","Zou, Lifei; Yuan, Jiaqi; Yuan, Yang; Gu, Jiaming; Li, Guanghua; Zhang, Lirong; Liu, Yunling","A Zn(ii) metal‒organic framework constructed by a mixed-ligand strategy for CO2 capture and gas separation","CrystEngComm","2019","21","21","3289","","10.1039/C9CE00343F","","","0.71073","MoKα","","0.0454","0.0306","","","0.0846","0.0917","","","","","","1.041","","","","has coordinates,has disorder","223694","2020-10-21","18:00:00",""
"7232658","13.779","0.0003","6.8067","0.0001","42.0629","0.0008","90","","97.22","0.001","90","","3913.78","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C168 H168 N24 O40 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0511","0.0412","","","0.1206","0.1245","","","","","","1.147","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232659","7.911","0.0001","11.6159","0.0002","40.0826","0.0007","90","","90","","90","","3683.33","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0668","0.0471","","","0.1261","0.1527","","","","","","1.133","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232661","8.403","0.0014","10.9764","0.0018","20.319","0.003","99.433","0.002","94.128","0.002","109.784","0.002","1723.2","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H59 N7 O2 -","- C34 H59 N7 O2 -","- C68 H118 N14 O4 -","2","1","","Kimijima, Ayaka; Honda, Akinori; Nomoto, Kuniharu; Miyamura, Kazuo","Cold crystallization in the mixed system of adenine and thymine dodecyl derivatives","CrystEngComm","2019","21","20","3142","","10.1039/C9CE00407F","","","0.71073","MoKα","","0.1122","0.0652","","","0.1631","0.1955","","","","","","0.993","","","","has coordinates","223617","2020-10-21","18:00:00",""
"7232662","9.8795","0.0011","22.045","0.002","11.3775","0.0012","90","","114.823","0.002","90","","2249","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N6 O5 Zn -","- C23 H18 N6 O5 Zn -","- C92 H72 N24 O20 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0359","0.0302","","","0.0895","0.0926","","","","","","1.06","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232663","19.4386","0.0013","11.5018","0.0008","13.4225","0.0009","90","","131.941","0.002","90","","2232.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C88 H96 N16 O24 -","4","0.5","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.095","0.067","","","0.1839","0.2137","","","","","","1.029","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232664","12.02","0.002","16.434","0.003","14.413","0.003","90","","98.58","0.03","90","","2815.2","0.9","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 N6 O5.5 Zn -","- C29.5 H24 N6 O5.5 Zn -","- C118 H96 N24 O22 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0569","0.043","","","0.1073","0.1155","","","","","","1.044","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232665","9.1075","0.0008","11.8822","0.0011","15.5502","0.0014","80.532","0.003","74.179","0.003","74.763","0.003","1554.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 Eu2 N2 O18 -","- C26 Eu2 N2 O18 -","- C52 Eu4 N4 O36 -","2","1","","Song, Liping; Liu, Wei; Wang, Yanlong; Chen, Lanhua; Wang, Xiao-Feng; Wang, Shuao","A hydrolytically stable europium‒organic framework for the selective detection of radioactive Th4+ in aqueous solution","CrystEngComm","2019","21","22","3471","","10.1039/C9CE00241C","","","0.71073","MoKα","","0.0353","0.0305","","","0.0882","0.1001","","","","","","1.196","","","","has coordinates","223492","2020-10-21","18:00:00",""
"7232666","18.5984","0.0009","18.5984","0.0009","38.5338","0.0018","90","","90","","120","","11543.1","1","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Cu2 O10 -","- C24 H18 Cu2 O10 -","- C216 H162 Cu18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0634","0.0511","","","0.1733","0.1868","","","","","","1.034","","","","has coordinates,has disorder","223620","2020-10-21","18:00:00",""
"7232667","18.826","0.0008","18.826","0.0008","27.3427","0.0012","90","","90","","90","","9690.8","0.7","100","2","100","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C24 H18 Cu2 O10 -","- C24 H14 Cu2 O10 -","- C192 H112 Cu16 O80 -","8","0.5","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0843","0.0726","","","0.308","0.3394","","","","","","1.075","","","","has coordinates","223620","2020-10-21","18:00:00",""
"7232673","15.1625","0.0009","10.8096","0.0006","43.139","0.003","90","","90","","90","","7070.5","0.8","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C304 H384 N16 O16 S16 -","8","1","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0727","0.067","","","0.1372","0.14","","","","","","1.175","","","","has coordinates","223603","2020-10-21","18:00:00",""
"7232674","13.8935","0.0006","15.9032","0.0007","15.2978","0.0007","90","","108.757","0.002","90","","3200.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0398","0.0353","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232675","5.3026","0.0008","9.7451","0.0014","15.944","0.002","98.317","0.003","94.448","0.003","92.455","0.003","811.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","Mo-Kα","","0.0519","0.0398","","","0.1002","0.1071","","","","","","1.04","","","","has coordinates","276356","2022-06-28","17:11:38",""
"7232676","5.335","0.0009","9.684","0.0012","16.482","0.0018","73.861","0.005","84.239","0.007","88.632","0.009","813.83","0.19","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.5636","synchrotron","","0.0348","0.0339","","","0.0951","0.0961","","","","","","1.064","","","","has coordinates","276356","2022-06-28","17:11:41",""
"7232677","9.1924","0.0004","18.5092","0.0008","29.8277","0.0012","98.893","0.002","94.559","0.002","90.651","0.002","4996.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C216 H264 N12 O12 S12 -","6","3","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","MoKα","","0.0997","0.0612","","","0.1277","0.148","","","","","","1.121","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232678","9.8106","0.0003","15.2713","0.0006","14.7499","0.0006","90","","102.098","0.004","90","","2160.76","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Li N4 O5 -","- C22 H24 Li N4 O5 -","- C88 H96 Li4 N16 O20 -","4","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.087","0.0454","","","0.0789","0.0905","","","","","","1.017","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232679","9.2736","0.0006","11.0659","0.0007","11.868","0.0006","83.741","0.005","89.921","0.004","68.591","0.006","1126.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","1","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1133","0.0576","","","0.1057","0.1242","","","","","","1.001","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232680","8.3408","0.0004","12.4515","0.0006","16.7083","0.0009","102.611","0.004","92.029","0.004","99.896","0.004","1663.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 Na O6 -","- C34 H30 N8 Na O6 -","- C68 H60 N16 Na2 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1466","0.1083","","","0.1871","0.2025","","","","","","1.224","","","","has coordinates,has disorder","223691","2020-10-21","18:00:00",""
"7232681","23.6351","0.0002","8.1777","0.0001","26.7566","0.0003","90","","98.007","0.001","90","","5121.12","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 K2 N8 O12 -","- C48 H56 K2 N8 O12 -","- C192 H224 K8 N32 O48 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.0272","0.0252","","","0.0665","0.0679","","","","","","1.033","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232682","8.3032","0.0005","12.43","0.0007","16.5807","0.0012","97.615","0.005","100.354","0.005","100.015","0.005","1633.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Li N8 O6 -","- C34 H30 Li N8 O6 -","- C68 H60 Li2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1523","0.0767","","","0.1662","0.1938","","","","","","1.047","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232683","8.9568","0.0001","10.4462","0.0002","19.2221","0.0003","95.594","0.002","91.222","0.001","92.512","0.002","1787.63","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(triphenylacetyl)glycine","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.045","0.0434","","","0.1167","0.1185","","","","","","1.038","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232684","13.1517","0.0002","9.5286","0.0001","15.2352","0.0002","90","","91.793","0.001","90","","1908.3","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-alanine","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0357","0.0353","","","0.0941","0.0946","","","","","","1.055","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232685","9.7079","0.0012","9.4265","0.0008","13.9926","0.0013","90","","107.665","0.012","90","","1220.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tryptophan","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0555","0.0454","","","0.089","0.0961","","","","","","1.036","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232686","8.941","0.0002","8.941","0.0002","54.361","0.002","90","","90","","90","","4345.7","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-(triphenylacetyl)-L-methionine","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C200 H200 N8 O24 S8 -","8","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0786","0.0645","","","0.1107","0.1158","","","","","","1.122","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232687","9.172","0.0002","32.882","0.0005","13.538","0.0003","90","","90.126","0.002","90","","4082.97","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-proline methylester","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0394","0.0393","","","0.1054","0.1054","","","","","","1.039","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232688","13.3958","0.0006","9.2202","0.0003","16.7458","0.0007","90","","108.447","0.005","90","","1962.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(triphenylacetyl)glycylglycine","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0489","0.0384","","","0.0882","0.0944","","","","","","1.049","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232689","8.5896","0.0001","9.9657","0.0001","12.7116","0.0002","90","","94.914","0.001","90","","1084.13","0.02","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-valine","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0352","0.0347","","","0.0911","0.0918","","","","","","1.035","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232690","14.3139","0.0002","15.9294","0.0002","9.1186","0.0001","90","","90","","90","","2079.15","0.05","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-(triphenylacetyl)-L-proline","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0319","0.0312","","","0.082","0.0831","","","","","","1.061","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232691","9.6669","0.0003","14.8741","0.0006","19.1839","0.0006","86.367","0.004","81.808","0.003","71.038","0.003","2581.65","0.16","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0424","0.0399","","","0.1067","0.109","","","","","","1.053","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232692","8.5012","0.0001","9.8952","0.0001","12.8936","0.0002","90","","92.27","0.001","90","","1083.77","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tert-leucine","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0242","0.0241","","","0.0627","0.0628","","","","","","1.076","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232693","9.1939","0.0004","10.3126","0.0004","24.1891","0.0008","90","","90","","90","","2293.44","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(triphenylacetyl)-L-tyrosine","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0581","0.0431","","","0.0841","0.0925","","","","","","1.059","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232694","9.8268","0.0002","10.7524","0.0002","12.3034","0.0003","104.385","0.002","99.112","0.002","92.482","0.002","1238.7","0.05","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0319","0.0316","","","0.0852","0.0855","","","","","","1.08","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232721","29.7813","0.0012","15.7987","0.0007","23.7492","0.0009","90","","101.808","0.002","90","","10937.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C352 H288 Co16 N32 O80 -","8","2","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1456","0.085","","","0.2411","0.2894","","","","","","1.088","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232722","7.936","0.004","14.009","0.007","15.45","0.008","90","","92.041","0.006","90","","1716.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(def)(bpy)]NO3","","- C17 H16 Cu N4 O5 -","- C17 H16 Cu N4 O5 -","- C68 H64 Cu4 N16 O20 -","4","1","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1552","0.0618","","","0.124","0.1594","","","","","","0.994","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232723","30.071","0.003","7.8976","0.0006","23.8471","0.0017","90","","101.951","0.004","90","","5540.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44.12 H36 Co2 N4 O10 -","- C176.48 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1682","0.1391","","","0.2845","0.3033","","","","","","1.241","","","","has coordinates,has disorder","223489","2020-10-21","18:00:00",""
"7232724","23.7632","0.0011","9.8043","0.0005","20.3897","0.001","90","","102.36","0.002","90","","4640.3","0.4","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.0793","0.0431","","","0.0859","0.0996","","","","","","1.039","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232725","23.7504","0.0014","9.7971","0.0006","20.323","0.0012","90","","104.156","0.002","90","","4585.3","0.5","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1191","0.0489","","","0.1006","0.1371","","","","","","1.018","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232730","5.1481","0.0001","13.6138","0.0002","7.7426","0.0001","90","","90","","90","","542.642","0.015","298","2","298","2","","","0","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.71073","MoKα","","0.0287","0.0263","","","0.0676","0.0702","","","","","","0.823","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232731","4.9556","0.0009","13.322","0.004","6.874","0.002","90","","90","","90","","453.8","0.2","296","2","296","2","","","5.2","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0748","0.0593","","","0.1466","0.1545","","","","","","1.066","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232732","5.0359","0.0006","13.462","0.003","7.2375","0.0016","90","","90","","90","","490.65","0.16","296","2","296","2","","","2.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.081","0.064","","","0.135","0.1506","","","","","","1.089","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232733","4.879","0.003","13.135","0.008","6.658","0.006","90","","90","","90","","426.7","0.5","298","2","298","2","","","8.5","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0736","0.0617","","","0.1388","0.1423","","","","","","1.08","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232734","5.0055","0.0002","13.4104","0.0009","7.1162","0.0004","90","","90","","90","","477.68","0.05","296","2","296","2","","","3.23","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0671","0.0615","","","0.1476","0.1517","","","","","","1.052","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232735","5.0694","0.001","13.492","0.006","7.403","0.004","90","","90","","90","","506.3","0.4","296","2","296","2","","","1.26","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.139","0.0879","","","0.2063","0.2341","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232736","4.933","0.002","13.248","0.009","6.841","0.003","90","","90","","90","","447.1","0.4","298","2","298","2","","","5.91","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0753","0.0572","","","0.1389","0.1561","","","","","","1.126","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232737","4.9824","0.0006","13.353","0.003","7.0029","0.0014","90","","90","","90","","465.9","0.15","296","2","296","2","","","4.02","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0727","0.0622","","","0.1656","0.1718","","","","","","1.124","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232738","4.9715","0.0014","13.236","0.007","7.042","0.002","90","","90","","90","","463.4","0.3","298","2","298","2","","","3.97","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0886","0.0573","","","0.136","0.1447","","","","","","1.006","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232739","4.9154","0.0009","13.23","0.005","6.7665","0.0014","90","","90","","90","","440","0.2","296","2","296","2","","","6.67","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0936","0.0669","","","0.1462","0.1583","","","","","","1.106","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232740","4.9383","0.0019","13.25","0.005","6.841","0.003","90","","90","","90","","447.6","0.3","298","2","298","2","","","6.12","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0778","0.0636","","","0.1549","0.1613","","","","","","1.04","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232741","4.773","0.003","12.91","0.008","6.363","0.006","90","","90","","90","","392.1","0.5","298","2","298","2","","","15.78","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0667","","","0.1607","0.1757","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232742","4.799","0.002","12.972","0.005","6.432","0.003","90","","90","","90","","400.4","0.3","298","2","298","2","","","13.94","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0602","0.0546","","","0.1368","0.1401","","","","","","1.039","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232743","4.768","0.004","12.883","0.01","6.353","0.007","90","","90","","90","","390.2","0.6","298","2","298","2","","","17.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1161","0.0862","","","0.2167","0.2282","","","","","","1.114","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232744","4.771","0.003","12.903","0.006","6.361","0.004","90","","90","","90","","391.6","0.4","298","2","298","2","","","15.2","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0862","0.0653","","","0.1512","0.1613","","","","","","0.948","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232745","4.842","0.006","13.025","0.017","6.589","0.012","90","","90","","90","","415.5","1.1","298","2","298","2","","","9.82","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1438","0.0914","","","0.2197","0.245","","","","","","1.051","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232746","4.823","0.004","13.027","0.01","6.481","0.007","90","","90","","90","","407.2","0.6","298","2","298","2","","","11.19","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.079","0.0533","","","0.1332","0.1416","","","","","","1.037","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232747","4.62","0.009","12.52","0.02","6.037","0.014","90","","92.54","0.04","90","","348.9","1.2","298","2","298","2","","","22.31","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0917","0.0785","","","0.1805","0.196","","","","","","1.148","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232748","4.823","0.005","13.025","0.012","6.457","0.008","90","","90","","90","","405.6","0.8","298","2","298","2","","","13","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0649","0.0584","","","0.1492","0.1559","","","","","","1.266","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232749","4.735","0.005","12.823","0.013","6.275","0.008","90","","91.14","0.03","90","","380.9","0.7","298","2","298","2","","","18.2","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0782","","","0.1806","0.1918","","","","","","1.049","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232750","4.679","0.006","12.659","0.013","6.143","0.009","90","","91.42","0.03","90","","363.7","0.8","298","2","298","2","","","20.62","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1445","0.1115","","","0.273","0.2952","","","","","","1.18","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232751","7.9261","0.0019","11.402","0.003","15.557","0.004","90","","90","","90","","1405.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","furfural","furan-2-carbaldehyde","","- C5 H4 O2 -","- C5 H4 O2 -","- C60 H48 O24 -","12","3","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0428","0.0389","","","0.0988","0.1027","","","","","","1.077","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232752","5.8006","0.0013","7.8838","0.0018","11.355","0.003","94.479","0.004","92.173","0.004","96.464","0.004","513.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","furfurylamine","1-(2-furyl)methylamine","","- C5 H7 N O -","- C5 H7 N O -","- C20 H28 N4 O4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","0.71073","MoKα","","0.0948","0.074","","","0.2381","0.2524","","","","","","1.142","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232753","5.2801","0.0003","12.0768","0.0007","7.2295","0.0004","90","","98.788","0.001","90","","455.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-furonitrile","furan-2-carbonitrile","","- C5 H3 N O -","- C5 H3 N O -","- C20 H12 N4 O4 -","4","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0361","0.0361","","","0.1044","0.1045","","","","","","1.066","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232754","12.4727","0.0015","12.4727","0.0015","6.0594","0.0007","90","","90","","90","","942.65","0.19","100","2","100","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","2-methylfuran","","- C5 H6 O -","- C5 H6 O -","- C40 H48 O8 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0214","0.0207","","","0.0507","0.0509","","","","","","1.1","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232755","17.143","0.008","11.806","0.006","7.399","0.01","90","","90","","90","","1497","2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1488","0.0683","","","0.1635","0.2071","","","","","","1.082","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232756","12.9717","0.0015","17.1881","0.0009","13.0437","0.0019","90","","116.032","0.008","90","","2613.2","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1947","0.1291","","","0.3349","0.4172","","","","","","1.552","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232757","17.1202","0.0017","11.7968","0.0011","7.288","0.002","90","","90","","90","","1471.9","0.5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","0.71073","MoKα","","0.0955","0.0579","","","0.1272","0.147","","","","","","1.076","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232758","17.1522","0.0005","11.8201","0.0004","7.3985","0.0002","90","","90","","90","","1499.98","0.08","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","1.54178","CuKα","","0.0585","0.0448","","","0.1178","0.1223","","","","","","1.073","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232759","13.0234","0.0015","17.2078","0.0009","13.0925","0.0015","90","","116.209","0.007","90","","2632.4","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1259","0.0941","","","0.2449","0.2721","","","","","","1.065","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232760","10.567","0.0003","11.7875","0.0003","11.2791","0.0003","90","","101.443","0.003","90","","1376.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0887","0.0465","","","0.0992","0.1159","","","","","","1.009","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232761","10.5372","0.0006","11.191","0.006","10.8339","0.0007","90","","102.017","0.006","90","","1249.6","0.7","293","2","293","2","","","2000000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0997","0.0746","","","0.2039","0.2233","","","","","","1.118","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232762","10.5575","0.0008","11.58","0.007","11.1164","0.0008","90","","101.657","0.007","90","","1331","0.8","293","2","293","2","","","600000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.11","0.0777","","","0.1991","0.2229","","","","","","1.125","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232763","10.5403","0.001","11.077","0.01","10.7701","0.001","90","","101.972","0.008","90","","1230.1","1.1","293","2","293","2","","","2500000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1087","0.075","","","0.1924","0.2181","","","","","","1.086","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232764","10.5398","0.0006","11.142","0.005","10.8026","0.0006","90","","102.027","0.005","90","","1240.8","0.6","293","2","293","2","","","2300000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0996","0.0747","","","0.199","0.2185","","","","","","1.091","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232765","10.5441","0.0007","11.239","0.007","10.8819","0.0008","90","","101.974","0.006","90","","1261.5","0.8","293","2","293","2","","","1800000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1016","0.0778","","","0.2012","0.2201","","","","","","1.092","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232766","10.538","0.0007","11.433","0.007","10.992","0.0008","90","","101.824","0.006","90","","1296.2","0.8","293","2","293","2","","","1200000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1034","0.0731","","","0.1837","0.207","","","","","","1.095","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232770","9.982","0.004","10.918","0.003","15.273","0.002","90","","107.315","0.005","90","","1589.1","0.8","205","","205","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N5 O4 -","- C13 H19 N5 O4 -","- C52 H76 N20 O16 -","4","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.0847","0.0499","","","0.129","0.1512","","","","","","0.96","","","","has coordinates","223615","2020-10-21","18:00:00",""
"7232771","9.0858","0.0009","11.9718","0.0012","16.5784","0.0017","69.9","0.001","75.107","0.002","67.877","0.003","1551.8","0.3","205","2","205","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 N10 O9 -","- C26 H40 N10 O9 -","- C52 H80 N20 O18 -","2","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.1049","0.0535","","","0.1125","0.1369","","","","","","0.962","","","","has coordinates","223615","2020-10-21","18:00:00",""
"7232773","7.491","0.0004","11.4453","0.0006","13.0462","0.0006","100.758","0.004","92.216","0.004","93.539","0.004","1095.35","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N10 O -","- C24 H20 N10 O -","- C48 H40 N20 O2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0405","0.0378","","","0.0954","0.0979","","","","","","1.035","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232774","17.897","0.002","14.8153","0.0015","21.628","0.002","90","","98.305","0.011","90","","5674.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20.4 Cl5 Cu N10 O0.7 -","- C25 H19 Cl5 Cu N10 O0.7 -","- C200 H152 Cl40 Cu8 N80 O5.6 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1026","0.0636","","","0.1526","0.1708","","","","","","1.063","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232775","10.9739","0.0006","12.7951","0.0007","13.6318","0.0006","104.805","0.004","96.979","0.004","91.525","0.005","1833.5","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br6 N12 O6 Zn -","- C25 H19 Br3 N12 O6 Zn -","- C50 H38 Br6 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0809","0.0682","","","0.1898","0.2018","","","","","","1.094","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232776","12.359","0.01","12.665","0.009","13.855","0.01","75.7","0.03","72.44","0.02","87.55","0.04","2002","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O6 Zn -","- C24 H18 N12 O6 Zn -","- C48 H36 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.121","0.0941","","","0.2594","0.278","","","","","","1.009","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232777","18.5353","0.0015","15.4936","0.0015","21.554","0.002","90","","96.986","0.002","90","","6143.9","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C228 H228 Cl16 Mn8 N92 O12 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0863","0.0542","","","0.1229","0.1436","","","","","","1.009","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232778","14.917","0.003","20.459","0.004","15.642","0.003","90","","116.312","0.003","90","","4279.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C192 H144 N80 -","8","2","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1053","0.0548","","","0.1322","0.1613","","","","","","1.011","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232779","29.6595","0.0007","12.2726","0.0005","32.6526","0.0009","90","","100.427","0.002","90","","11689.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H55.5 Cl2 Fe N20 O9.75 -","- C48 H38 Cl2 Fe N20 O3 -","- C384 H304 Cl16 Fe8 N160 O24 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0936","0.0719","","","0.1944","0.2122","","","","","","1.024","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232780","19.885","0.006","21.893","0.006","14.279","0.004","90","","126.457","0.003","90","","5000","2","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H19 N12 O4 Zn2 -","- C21 H17 N12 O4 Zn2 -","- C84 H68 N48 O16 Zn8 -","4","0.5","","Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao","A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid","CrystEngComm","2019","21","24","3679","","10.1039/C9CE00513G","","","0.71073","MoKα","","0.068","0.0548","","","0.2038","0.2144","","","","","","1.226","","","","has coordinates","223477","2020-10-21","18:00:00",""
"7232781","9.8451","0.0003","15.1918","0.0004","7.4842","0.0002","90","","108.573","0.003","90","","1061.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-lutidinium hydrogen fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Corlett, Emily K.; Blade, Helen; Hughes, Leslie P.; Sidebottom, Philip J.; Walker, David; Walton, Richard I.; Brown, Steven P.","An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate","CrystEngComm","2019","21","22","3502","","10.1039/C9CE00633H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.0982","0.1018","","","","","","1.033","","","","has coordinates","223494","2020-10-21","18:00:00",""
"7232788","8.8518","0.0002","15.3215","0.0003","10.3543","0.0003","90","","113.274","0.001","90","","1290.01","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","2","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0229","0.0221","","","0.0558","0.0565","","","","","","1.055","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232789","17.616","0.003","5.6004","0.001","12.779","0.002","90","","98.051","0.006","90","","1248.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0853","0.0572","","","0.1196","0.1317","","","","","","1.107","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232790","10.8013","0.0002","15.1552","0.0003","12.7524","0.0003","90","","94.871","0.001","90","","2079.98","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C90 H66 I6 N12 O6 -","6","3","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0188","0.0181","","","0.0369","0.0373","","","","","","1.074","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232791","6.4513","0.0003","7.9032","0.0003","23.1654","0.0009","90","","96.107","0.001","90","","1174.41","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F N2 O -","- C15 H11 F N2 O -","- C60 H44 F4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.043","0.0387","","","0.0953","0.0979","","","","","","1.105","","","","has coordinates,has disorder","223493","2020-10-21","18:00:00",""
"7232792","15.8947","0.0003","21.2266","0.0004","8.0859","0.0001","90","","90","","90","","2728.11","0.08","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C120 H88 I8 N16 O8 -","8","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0136","0.0134","","","0.0332","0.0333","","","","","","1.081","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232802","20.0543","0.0006","8.8607","0.0003","25.1405","0.0008","90","","90","","90","","4467.3","0.2","170","2","170.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.1829","0.0926","","","0.1703","0.2082","","","","","","1.069","","","","has coordinates,has disorder","223468","2020-10-21","18:00:00",""
"7232803","16.755","0.0008","19.747","0.001","7.6891","0.0004","90","","98.211","0.003","90","","2517.9","0.2","170","2","170.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 O2 -","- C28 H24 F2 N2 O2 -","- C112 H96 F8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.094","0.0713","","","0.2004","0.219","","","","","","1.056","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232804","17.384","0.004","19.973","0.005","7.823","0.002","90","","98.17","0.01","90","","2688.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O2 -","- C28 H24 Br2 N2 O2 -","- C112 H96 Br8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1311","0.0719","","","0.1798","0.2155","","","","","","1.021","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232805","17.277","0.002","19.953","0.003","7.804","0.0011","90","","98.811","0.005","90","","2658.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1443","0.0692","","","0.1488","0.1926","","","","","","1.016","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232807","7.458","0.0004","10.663","0.0006","15.677","0.0007","82.162","0.002","87.933","0.002","72.31","0.002","1176.64","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[tetraaqua(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)]","","- C18 H17 Br3 Dy N3 O10 -","- C18 H17 Br3 Dy N3 O10 -","- C36 H34 Br6 Dy2 N6 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0446","0.0275","","","0.0418","0.0448","","","","","","1.024","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232808","11.61","0.0005","15.8524","0.0008","16.6978","0.0006","90","","90.443","0.003","90","","3073.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)ytterbium(III)] [diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Yb -","- C24 H19 Br4 N4 O11 Yb -","- C96 H76 Br16 N16 O44 Yb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.1166","0.0558","","","0.0721","0.0847","","","","","","1.023","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232809","10.163","0.0005","11.526","0.0006","11.611","0.0006","88.319","0.002","85.525","0.002","69.254","0.002","1268.03","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","poly-{[triaquabis(mu-5-bromonicotinato-kO:kO')(5-bromonicotinato-kO)neodymium(III)] hydrate}","","- C18 H17 Br3 N3 Nd O10 -","- C18 H17 Br3 N3 Nd O10 -","- C36 H34 Br6 N6 Nd2 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0431","0.0278","","","0.0465","0.05","","","","","","1.017","","","","has coordinates,has disorder","223614","2020-10-21","18:00:00",""
"7232810","11.686","0.0006","15.9703","0.0009","16.7415","0.0009","90","","90.246","0.002","90","","3124.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)terbium(III)][diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)terbium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Tb -","- C24 H19 Br4 N4 O11 Tb -","- C96 H76 Br16 N16 O44 Tb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0613","0.0355","","","0.0597","0.0666","","","","","","1.03","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232814","18.4694","0.0007","18.4694","0.0007","61.6922","0.0019","90","","90","","90","","21044.4","1.3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C104.5 H82 Cl Co4 N16 O24.5 -","- C104.52 H82.04 Cl Co4 N16 O24.5 -","- C836.16 H656.32 Cl8 Co32 N128 O196 -","8","0.25","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1448","0.1276","","","0.2955","0.3064","","","","","","1.317","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232815","10.7442","0.0017","12.3398","0.0019","12.8388","0.0018","66.107","0.005","78.733","0.006","82.276","0.006","1523.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","1","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1234","0.061","","","0.1311","0.1775","","","","","","1.073","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232816","6.3774","0.0004","17.5788","0.0011","22.2159","0.0016","90","","93.83","0.007","90","","2485","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0669","0.0456","","","0.0996","0.1083","","","","","","1.068","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232817","13.1863","0.0005","17.4063","0.0007","9.3405","0.0004","90","","90","","90","","2143.88","0.15","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0305","0.0266","","","0.0687","0.0708","","","","","","1.059","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232818","21.3071","0.0014","17.9878","0.001","19.088","0.0011","90","","96.875","0.007","90","","7263.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Co4 N12 O14 -","- C54 H38 Co4 N12 O14 -","- C216 H152 Co16 N48 O56 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0825","0.0558","","","0.1386","0.1487","","","","","","1.031","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232819","10.9672","0.0006","17.424","0.0011","11.3309","0.0006","90","","90.75","0.006","90","","2165.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C88 H88 Co4 N16 O24 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.709317","MOKα","","0.1606","0.1231","","","0.2855","0.2999","","","","","","1.2","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232823","4.531","0.0007","11.5783","0.0001","15.7188","0.0002","90","","93.69","0.01","90","","822.92","0.13","","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theophylline","1,3-dimethylxanthine","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Larsen, Anders S.; Olsen, Mark A.; Moustafa, Hadeel; Larsen, Flemming H.; Sauer, Stephan P. A.; Rantanen, Jukka; Madsen, Anders Ø.","Determining short-lived solid forms during phase transformations using molecular dynamics","CrystEngComm","2019","21","27","4020","","10.1039/C9CE00460B","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","8","","","","","","","has coordinates","223503","2020-10-21","18:00:00",""
"7232837","6.4179","0.0005","7.4575","0.0005","10.8598","0.0008","74.881","0.005","74.297","0.005","88.026","0.006","482.68","0.06","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","1","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0902","0.0579","","","0.1584","0.1748","","","","","","1.009","","","","has coordinates","223616","2020-10-21","18:00:00",""
"7232838","8.9135","0.0017","14.392","0.003","6.7544","0.0014","90","","110.499","0.004","90","","811.6","0.3","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0779","0.0556","","","0.1599","0.1751","","","","","","1.03","","","","has coordinates","223616","2020-10-21","18:00:00",""
"7232844","12.1578","0.0003","3.7938","0.0001","23.0837","0.0006","90","","95.103","0.002","90","","1060.5","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpF","4-Fluorobenzene-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0493","0.0431","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232845","12.0058","0.0009","3.7726","0.0006","24.477","0.003","90","","93.046","0.011","90","","1107.1","0.2","294","2","294","1","","","","","","","","5","I 1 a 1","I -2ya","9","CmmCl","3-Chlorophenyl-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1426","0.0808","","","0.1828","0.233","","","","","","1.046","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232846","13.2502","0.0003","3.8621","0.0001","22.9979","0.0008","90","","94.861","0.002","90","","1172.65","0.06","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpBr","4-Bromobenzene-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0888","0.0499","","","0.0776","0.0902","","","","","","1.029","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232847","26.1331","0.0019","3.7572","0.0003","11.9066","0.0007","90","","115.765","0.008","90","","1052.85","0.15","294","2","294","1","","","","","","","","5","C 1 c 1","C -2yc","9","CmmF","3-Fluorophenyl-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0664","0.0529","","","0.1163","0.1255","","","","","","1.071","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232848","3.8471","0.0004","11.6218","0.0019","12.467","0.002","108.261","0.015","90.417","0.011","95.461","0.011","526.52","0.14","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopF","4-Fluorophenyl-N-2-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C24 H18 F2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0823","0.0456","","","0.0962","0.1144","","","","","","1.023","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232849","3.8776","0.0009","11.481","0.004","13.085","0.005","105.84","0.03","90.64","0.02","92.82","0.02","559.5","0.3","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopCl","4-Chlorophenyl-N-2-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C24 H18 Cl2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1604","0.0787","","","0.1726","0.2243","","","","","","0.998","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232850","11.349","0.006","3.9443","0.0016","26.137","0.008","90","","101.34","0.05","90","","1147.2","0.9","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CopBr","4-Bromophenyl-N-2-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","x-ray","1.54184","CuKα","","0.0927","0.0702","","","0.1876","0.2152","","","","","","1.03","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232851","3.8827","0.0005","24.756","0.002","17.742","0.002","90","","91.789","0.014","90","","1704.5","0.3","294","2","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","CmmBr","3-Bromophenyl-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C72 H54 Br6 N12 O12 -","6","3","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.2284","0.0517","","","0.0745","0.0958","","","","","","0.63","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232852","12.9792","0.0003","3.8079","0.0001","23.0781","0.0006","90","","95.036","0.002","90","","1136.2","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpCl","4-Chlorobenzene-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0556","0.0472","","","0.1212","0.1285","","","","","","1.11","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232857","5.767","0.005","10.249","0.009","16.039","0.014","90","","90","","90","","948","1.4","138","2","138","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IIa","Phenyl pyrazine-2-carboxylate (IIa)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0572","0.0565","","","0.1271","0.1281","","","","","","1.063","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232858","12.657","0.015","5.606","0.007","13.836","0.016","90","","93.939","0.012","90","","979","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IIb","Phenyl pyrazine-2-carboxylate (IIb)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0675","0.0556","","","0.148","0.1583","","","","","","1.072","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232859","7.994","0.015","6.095","0.012","20.94","0.04","90","","94.2","0.02","90","","1018","3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ib","Phenyl pyridine-2-carboxylate (Ib)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.1675","0.1266","","","0.3342","0.3771","","","","","","1.081","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232860","14.759","0.003","6.9112","0.0019","20.003","0.005","90","","90","","90","","2040.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ia","Phenyl pyridine-2-carboxylate (Ia)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.2079","0.0913","","","0.1491","0.1894","","","","","","1.095","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232869","26.343","0.007","26.343","0.007","37.301","0.011","90","","90","","90","","25885","12","150","","150","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C21 H3 Mn5 N6 O24 -","- C21 H3 Mn5 N6 O24 -","- C336 H48 Mn80 N96 O384 -","16","1","","Zhang, Tao; Ling, Bo-Kai; Hu, Yue-Qiao; Han, Tian; Zheng, Yan-Zhen","An anionic manganese(ii) metal‒organic framework for uranyl adsorption","CrystEngComm","2019","21","26","3901","","10.1039/C9CE00603F","","","0.71073","MoKα","","0.1094","0.0926","","","0.2405","0.2546","","","","","","1.044","","","","has coordinates","223572","2020-10-21","18:00:00",""
"7232872","4.9159","0.0007","8.8894","0.0018","9.226","0.003","111.71","0.02","103.03","0.02","90.97","0.01","362.68","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C8 H12 F12 O4 -","4","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0736","0.0478","","","0.1267","0.143","","","","","","1.088","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7232873","8.604","0.0007","10.0578","0.0008","9.1461","0.0008","90","","90","","90","","791.48","0.11","229","2","229","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C16 H24 F24 O8 -","8","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0845","0.0331","","","0.0868","0.1058","","","","","","0.875","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7232876","7.1314","0.0002","10.4809","0.0002","16.7109","0.0004","80.5779","0.0012","86.4941","0.0012","79.2821","0.0012","1210.08","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0927","0.047","","","0.1064","0.1246","","","","","","1.057","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232877","6.7109","0.0004","9.4367","0.0012","16.2988","0.0017","77.132","0.009","84.534","0.007","81.962","0.009","994.17","0.18","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0857","0.0651","","","0.1406","0.1526","","","","","","1.048","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232878","6.7888","0.0003","9.6045","0.0011","16.3703","0.0016","77.764","0.008","84.858","0.006","81.297","0.008","1029.3","0.17","297","","297","","","","","","","","","6","P -1","-P 1","2","","?1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0839","0.0639","","","0.1519","0.1627","","","","","","1.09","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232879","6.7561","0.0003","9.5308","0.0011","16.3385","0.0016","77.508","0.008","84.71","0.006","81.556","0.008","1014.02","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0847","0.0638","","","0.145","0.1569","","","","","","1.074","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232880","6.9301","0.0004","9.942","0.0007","16.514","0.003","79.013","0.011","85.441","0.01","80.339","0.005","1099.8","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0953","0.0591","","","0.1257","0.1487","","","","","","1.086","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232881","7.0133","0.0006","10.155","0.002","16.607","0.003","79.683","0.014","85.829","0.011","79.844","0.014","1144.4","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.1067","0.0657","","","0.1439","0.1662","","","","","","1.055","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232882","6.6623","0.0003","9.3453","0.0011","16.2637","0.0015","76.764","0.008","84.331","0.006","82.375","0.008","974.52","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0893","0.0671","","","0.1714","0.1864","","","","","","1.09","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232883","7.958","0.003","9.582","0.003","11.27","0.004","92.09","0.03","90.88","0.03","114.23","0.03","782.7","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","1","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0535","0.0518","","","0.1327","0.1358","","","","","","1.055","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232884","6.874","0.002","10.174","0.004","9.995","0.003","98.32","0.03","94.13","0.03","90.84","0.03","689.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0599","0.0457","","","0.1029","0.1117","","","","","","1.044","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232885","6.862","0.004","9.864","0.005","9.939","0.005","95.54","0.03","93.89","0.03","92.28","0.03","667.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0516","0.0408","","","0.0984","0.106","","","","","","1.05","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232892","4.7678","0.0005","11.4567","0.0014","15.8287","0.0017","96.008","0.004","95.799","0.004","91.296","0.004","854.98","0.17","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Mn N4 O9 -","- C14 H15 Mn N4 O9 -","- C28 H30 Mn2 N8 O18 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0539","0.0388","","","0.0845","0.0899","","","","","","1.062","","","","has coordinates","223502","2020-10-21","18:00:00",""
"7232893","4.7674","0.0005","15.2901","0.0014","15.8525","0.0015","82.467","0.004","89.755","0.004","87.662","0.004","1144.63","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Mn N5 O9.5 -","- C17 H21 Mn N5 O9.5 -","- C34 H42 Mn2 N10 O19 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0507","0.04","","","0.1092","0.1139","","","","","","1.09","","","","has coordinates,has disorder","223502","2020-10-21","18:00:00",""
"7232894","5.6594","0.0005","7.2685","0.0007","17.267","0.002","90","","94.508","0.009","90","","708.09","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","0.71073","MoKα","","0.0614","0.0518","","","0.1148","0.1213","","","","","","1.06","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232895","5.0318","0.0003","8.6573","0.0005","43.325","0.002","90","","90","","90","","1887.32","0.18","123","30","123","30","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","1.54184","CuKα","","0.0788","0.0732","","","0.179","0.1869","","","","","","1.051","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232896","13.7","0.004","5.4468","0.0008","7.8567","0.0011","90","","98.401","0.018","90","","580","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","0.56086","AgKα","","0.0616","0.0362","","","0.073","0.0898","","","","","","1.133","","","","has coordinates","223667","2020-10-21","18:00:00",""
"7232897","13.6132","0.0007","14.5917","0.0008","6.2617","0.0003","90","","95.935","0.002","90","","1237.16","0.11","224","","224","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","1.54178","CuKα","","0.0544","0.0511","","","0.1523","0.1557","","","","","","1.103","","","","has coordinates","223667","2020-10-21","18:00:00",""
"7232898","5.3219","0.0003","29.6921","0.0019","5.6591","0.0004","90","","99.122","0.004","90","","882.93","0.1","298","2","298","2","","","","","","","synthesis","7","I 1 m 1","I -2y","8","AgLNa*0.5H2O","","","- C20 H28 Ag4 N8 Na4 O18 S4 -","- C5 H6 Ag N2 Na O3.907 S -","- C20 H24 Ag4 N8 Na4 O15.628 S4 -","4","1","","Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo","A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization","CrystEngComm","2019","21","31","4586","","10.1039/C9CE00761J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","223674","2020-10-21","18:00:00",""
"7232899","12.2512","0.001","18.0542","0.0015","20.8644","0.0015","90","","96.61","0.007","90","","4584.2","0.6","102","2","102","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Cu F3 N4 O4 P2 S -","- C52 H42 Cu F3 N4 O4 P2 S -","- C208 H168 Cu4 F12 N16 O16 P8 S4 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0945","0.083","","","0.1711","0.1774","","","","","","1.051","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232900","10.139","0.0011","10.9355","0.0012","19.6442","0.0018","88.137","0.002","75.352","0.001","83.427","0.002","2093.4","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H38 Cu F3 N4 O4 P2 S -","- C43 H38 Cu F3 N4 O4 P2 S -","- C86 H76 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0855","0.05","","","0.1113","0.1218","","","","","","1.038","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232901","13.5532","0.0012","13.5532","0.0012","46.356","0.003","90","","90","","90","","8515.1","1.2","298","2","298","2","","","","","","","","8","P 41","P 4w","76","","","","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C352 H256 Cu8 F24 N32 O24 P16 S8 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1969","0.0904","","","0.1551","0.1731","","","","","","1.081","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232902","13.0082","0.0012","23.906","0.002","26.452","0.003","90","","101.248","0.003","90","","8067.9","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C320 H240 Cu8 F24 N32 O24 P16 S8 -","4","0.5","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1116","0.0569","","","0.1328","0.1477","","","","","","1.097","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232903","10.7793","0.0005","14.5171","0.0005","17.3228","0.0006","74.306","0.003","79.899","0.003","70.639","0.004","2451.12","0.18","103.7","","103.7","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cu F3 N4 O4 P2 S -","- C56 H44 Cu F3 N4 O4 P2 S -","- C112 H88 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0392","0.0328","","","0.072","0.0752","","","","","","1.037","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232904","35.509","0.007","14.305","0.003","17.104","0.003","90","","100.7","0.03","90","","8537","3","104","2","104","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cu F3 N4 O4 P2 S -","- C47 H40 Cu F3 N4 O4 P2 S -","- C376 H320 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1491","0.1324","","","0.3116","0.3231","","","","","","1.09","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232905","10.2578","0.0003","12.8635","0.0004","19.4889","0.0005","73.352","0.002","83.084","0.002","87.362","0.003","2445.68","0.12","109.8","","109.8","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cu F3 N4 O4 P2 S -","- C54 H40 Cu F3 N4 O4 P2 S -","- C108 H80 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0735","0.0654","","","0.1453","0.1483","","","","","","1.241","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232906","10.8914","0.0004","12.2427","0.0003","19.074","0.0007","94.343","0.002","92.474","0.003","106.148","0.003","2430.49","0.15","102.3","","102.3","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H42 Cu F3 N4 O5 P2 S -","- C56 H42 Cu F3 N4 O5 P2 S -","- C112 H84 Cu2 F6 N8 O10 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0515","0.0434","","","0.1069","0.1119","","","","","","1.033","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232907","27.738","0.002","16.393","0.0014","27.278","0.003","90","","110.478","0.004","90","","11619.7","1.8","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cu F3 N4 O4 P2 S -","- C58 H42 Cu F3 N4 O4 P2 S -","- C464 H336 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1322","0.0811","","","0.228","0.2468","","","","","","1.095","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232908","10.698","0.0007","12.5061","0.0005","19.6636","0.001","83.046","0.004","77.092","0.005","70.657","0.005","2416.4","0.2","104.2","","104.2","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H36 Cu F3 N4 O6 P2 S -","- C53 H40 Cu F3 N4 O6 P2 S -","- C106 H80 Cu2 F6 N8 O12 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0705","0.0594","","","0.1588","0.1681","","","","","","1.03","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232909","20.4193","0.001","9.8047","0.0005","26.0036","0.0012","90","","105.963","0.002","90","","5005.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H55 Cl N9 -","- C62 H55 Cl N9 -","- C248 H220 Cl4 N36 -","4","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54178","CuKα","","0.0499","0.0417","","","0.1003","0.1084","","","","","","1.023","","","","has coordinates","223573","2020-10-21","18:00:00",""
"7232910","15.372","0.003","21.287","0.004","21.861","0.004","96.32","0.03","103.33","0.03","95.65","0.03","6861","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H166 Cl4 N22 O12 -","- C146 H159.654 Cl4 N22 O12 -","- C292 H319.308 Cl8 N44 O24 -","2","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54184","CuKα","","0.098","0.0836","","","0.211","0.2249","","","","","","1.008","","","","has coordinates,has disorder","223573","2020-10-21","18:00:00",""
"7232915","18.9128","0.0006","18.9128","0.0006","15.2392","0.0006","90","","90","","90","","5451","0.3","117","2","117","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H40 Mo0.5 N8 Ni O8 -","- C14 H24 Mo0.5 N8 Ni O8 -","- C112 H192 Mo4 N64 Ni8 O64 -","8","0.5","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0423","0.0346","","","0.0871","0.0908","","","","","","1.054","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7232916","26.2434","0.0011","15.4516","0.0007","10.1165","0.0004","90","","95.018","0.002","90","","4086.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C46 H120 Li2 Mo2 N28 Ni3 O24 -","- C46 H72 Li2 Mo2 N28 Ni3 O24 -","- C92 H144 Li4 Mo4 N56 Ni6 O48 -","2","0.25","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0855","0.0768","","","0.183","0.1885","","","","","","1.107","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7232917","14.3162","0.0006","14.8325","0.0006","23.1021","0.001","90","","93.539","0.002","90","","4896.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H70 Mo N20 Ni3 O5 -","- C35 H60 Mo N20 Ni3 O5 -","- C140 H240 Mo4 N80 Ni12 O20 -","4","1","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0493","0.0436","","","0.1068","0.111","","","","","","1.013","","","","has coordinates,has disorder","216088","2020-10-21","18:00:00",""
"7232919","7.2364","0.0008","13.684","0.002","15.767","0.002","71.515","0.013","83.596","0.01","81.899","0.011","1462.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N6 O6 S -","- C30 H27 Cl N6 O6 S -","- C60 H54 Cl2 N12 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1017","0.055","","","0.1097","0.1293","","","","","","1.025","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232920","7.3032","0.0005","14.0521","0.0008","15.9432","0.0011","69.237","0.002","81.657","0.002","77.712","0.002","1490.51","0.17","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl N5 O7 S -","- C31 H30 Cl N5 O7 S -","- C62 H60 Cl2 N10 O14 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0781","0.0506","","","0.1368","0.1504","","","","","","0.996","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232921","7.1077","0.0007","14.4856","0.0013","16.6126","0.0015","105.468","0.003","98.006","0.003","103.645","0.003","1564.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","CNX-PXC-EA","","","- C32 H32 Cl N5 O8 S -","- C32 H32 Cl N5 O8 S -","- C64 H64 Cl2 N10 O16 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0789","0.0547","","","0.124","0.1339","","","","","","1.051","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232922","7.2799","0.0005","13.8946","0.0011","16.4922","0.0013","68.131","0.007","82.312","0.006","81.865","0.006","1526.6","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl4 N5 O6 S -","- C29 H25 Cl4 N5 O6 S -","- C58 H50 Cl8 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1175","0.0579","","","0.1186","0.146","","","","","","0.967","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232923","7.2499","0.0002","13.7111","0.0006","15.8281","0.0007","71.255","0.004","85.172","0.003","83.669","0.003","1478.85","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl3 N5 O6 S -","- C29 H26 Cl3 N5 O6 S -","- C58 H52 Cl6 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0625","0.0481","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232924","6.6108","0.0005","9.5147","0.0007","17.1651","0.001","96.283","0.005","95.365","0.005","103.343","0.006","1036.32","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O7 -","- C25 H18 N2 O7 -","- C50 H36 N4 O14 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0995","0.0569","","","0.1309","0.1535","","","","","","0.978","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232925","10.1503","0.0003","11.2758","0.0003","35.8393","0.0011","90","","93.409","0.003","90","","4094.6","0.2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H37 N7 O13 -","- C49 H37 N7 O13 -","- C196 H148 N28 O52 -","4","0.5","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0888","0.0567","","","0.1308","0.1532","","","","","","1.047","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232926","8.6941","0.0002","10.2148","0.0003","17.2379","0.0004","99.498","0.002","90.396","0.002","97.114","0.002","1497.68","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Br2 N2 O6 -","- C39 H22 Br2 N2 O6 -","- C78 H44 Br4 N4 O12 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0726","0.064","","","0.1625","0.1691","","","","","","1.12","","","","has coordinates,has disorder","223469","2020-10-21","18:00:00",""
"7232930","9.6733","0.0005","10.7702","0.0005","12.5821","0.0006","67.115","0.001","68.089","0.001","86.267","0.001","1115.51","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O9 Zn -","- C26 H16 N2 O9 Zn -","- C52 H32 N4 O18 Zn2 -","2","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0282","0.0263","","","0.0697","0.0711","","","","","","1.033","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232931","26.409","0.004","9.7523","0.0012","20.678","0.003","90","","105.007","0.005","90","","5144","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd N2 O10 -","- C28 H17 Cd N2 O10 -","- C224 H136 Cd8 N16 O80 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0418","0.0287","","","0.0586","0.0629","","","","","","1.062","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232932","30.4083","0.0018","11.8333","0.0007","15.7632","0.0009","90","","120.286","0.002","90","","4897.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C208 H128 Cd8 N16 O72 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0303","0.0252","","","0.063","0.066","","","","","","1.092","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232934","14.47","0.002","14.47","0.002","28.017","0.006","90","","90","","90","","5866.2","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C33 H16 Mn2 N17 O6 W -","- C33 H16 Mn2 N17 O6 W -","- C132 H64 Mn8 N68 O24 W4 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0551","0.0517","","","0.1438","0.1459","","","","","","1.245","","","","has coordinates","223472","2020-10-21","18:00:00",""
"7232935","14.45","0.002","14.45","0.002","28.044","0.006","90","","90","","90","","5855.7","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C45 H44 Mn2 Mo N21 O10 -","- C45 H44 Mn2 Mo N21 O10 -","- C180 H176 Mn8 Mo4 N84 O40 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0681","0.0644","","","0.184","0.1879","","","","","","1.098","","","","has coordinates,has disorder","223472","2020-10-21","18:00:00",""
"7232936","8.7972","0.0004","9.6008","0.0005","24.5152","0.0017","90","","99.503","0.005","90","","2042.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EPTD","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C96 H96 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0664","0.0466","","","0.1024","0.1156","","","","","","1.031","","","","has coordinates,has disorder","223474","2020-10-21","18:00:00",""
"7232937","8.611","0.0007","7.4213","0.0005","27.8297","0.0019","90","","91.341","0.006","90","","1778","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0567","0.0416","","","0.0831","0.0931","","","","","","1.058","","","","has coordinates","223474","2020-10-21","18:00:00",""
"7232938","11.2305","0.0006","11.8596","0.0006","14.125","0.0007","102.649","0.004","93.485","0.004","99.072","0.005","1803.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","EPTD-Y","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","1","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0701","0.0502","","","0.0984","0.1093","","","","","","1.039","","","","has coordinates,has disorder","223474","2020-10-21","18:00:00",""
"7232939","10.4791","0.0005","13.3723","0.0007","25.4654","0.0013","90","","91.115","0.002","90","","3567.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: toluene (1:1)","","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0543","0.0379","","","0.0905","0.1003","","","","","","1.031","","","","has coordinates","223464","2020-10-21","18:00:00",""
"7232940","10.3099","0.0003","13.3066","0.0004","25.6537","0.0008","90","","91.686","0.001","90","","3517.9","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: aniline (1:1)","","","- C46 H37 N3 S2 -","- C46 H37 N3 S2 -","- C184 H148 N12 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0634","0.0444","","","0.106","0.1166","","","","","","1.024","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232941","8.7675","0.0007","8.7903","0.0007","13.7121","0.0011","72.461","0.004","76.622","0.004","67.418","0.004","922.33","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N,N-dimethylaniline (1:1)","","","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0852","0.0513","","","0.1106","0.1279","","","","","","1.044","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232942","9.1545","0.0005","14.6714","0.0007","15.1254","0.0008","109.272","0.002","92.888","0.002","97.644","0.002","1890.93","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: cumene (1:1)","","","- C49 H44 N2 O2 -","- C49 H44 N2 O2 -","- C98 H88 N4 O4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0868","0.0667","","","0.1855","0.2038","","","","","","1.042","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232943","10.5138","0.0007","13.5904","0.0009","13.7298","0.0009","84.174","0.003","86.227","0.003","70.04","0.003","1833.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: N-methylaniline (1:1)","","","- C47 H41 N3 S2 -","- C47 H41 N3 S2 -","- C94 H82 N6 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0476","0.0364","","","0.0897","0.0972","","","","","","1.021","","","","has coordinates","223464","2020-10-21","18:00:00",""
"7232944","8.9265","0.0004","9.1183","0.0004","12.5759","0.0005","92.594","0.002","107.264","0.002","111.066","0.002","898.81","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N-methylaniline: water","","","- C47 H41 N3 O2.41 -","- C47 H41 N3 O2.406 -","- C47 H41 N3 O2.406 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0455","0.0404","","","0.1084","0.114","","","","","","1.033","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232945","5.1874","0.0004","34.715","0.003","18.1886","0.0015","90","","90.275","0.002","90","","3275.4","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N8 Ni2 O13 -","- C24 H38 N8 Ni2 O13 -","- C96 H152 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1168","0.0806","","","0.1946","0.211","","","","","","1.142","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232946","20.212","0.011","22.656","0.011","16.048","0.008","90","","121.342","0.01","90","","6276","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 N8 Ni6 O25 -","- C56 H64 N8 Ni6 O25 -","- C224 H256 N32 Ni24 O100 -","4","0.5","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1349","0.0617","","","0.1596","0.2121","","","","","","1.008","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232947","13.838","0.004","29.26","0.009","14.867","0.004","90","","116.548","0.004","90","","5385","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N8 Ni4 O17 -","- C43 H52 N8 Ni4 O17 -","- C172 H208 N32 Ni16 O68 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1299","0.0924","","","0.2634","0.2922","","","","","","1.087","","","","has coordinates,has disorder","223675","2020-10-21","18:00:00",""
"7232948","22.233","0.004","7.3217","0.0014","23.045","0.004","90","","101.296","0.004","90","","3678.7","1.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N8 Ni2 O13 -","- C32 H44 N8 Ni2 O13 -","- C128 H176 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.0448","0.038","","","0.0947","0.099","","","","","","1.115","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232953","8.5321","0.001","9.2554","0.001","9.75","0.0008","104.633","0.008","91.429","0.008","102.163","0.009","725.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C26 H30 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0888","0.0647","","","0.1651","0.1867","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232954","9.666","0.0007","10.5577","0.0008","13.3682","0.0011","90","","97.575","0.007","90","","1352.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0875","0.0542","","","0.1249","0.1468","","","","","","1.046","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232955","7.2862","0.0008","9.7081","0.0007","19.2903","0.0016","90","","90","","90","","1364.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0597","0.044","","","0.0888","0.0975","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232956","8.534","0.002","9.25","0.002","9.752","0.002","104.72","0.02","90.99","0.02","102.03","0.02","726.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 D2 F4 N O4 -","- C13 H13 D2 F4 N O4 -","- C26 H26 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1399","0.0886","","","0.2482","0.3181","","","","","","1.025","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232957","8.4644","0.0005","9.7485","0.0015","12.6644","0.0013","69.875","0.013","74.399","0.007","79.718","0.009","940.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F4 N O4 -","- C17 H23 F4 N O4 -","- C34 H46 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0994","0.0571","","","0.1247","0.1586","","","","","","1.038","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232958","9.6384","0.0015","7.9971","0.0014","15.099","0.003","90","","99.642","0.017","90","","1147.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F4 N O4 -","- C10 H9 F4 N O4 -","- C40 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0825","0.0548","","","0.1335","0.1602","","","","","","1.054","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232959","7.2513","0.0006","9.6741","0.0008","18.5924","0.0014","90","","90","","90","","1304.25","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 D2 F4 N O4 -","- C13 H5 D2 F4 N O4 -","- C52 H20 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0723","0.0439","","","0.0928","0.1035","","","","","","0.953","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232960","9.6564","0.0006","10.5717","0.0008","13.3865","0.0009","90","","97.686","0.006","90","","1354.28","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0773","0.0524","","","0.122","0.1404","","","","","","1.043","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232961","9.6821","0.0009","8.0228","0.0009","15.0539","0.0014","90","","99.715","0.009","90","","1152.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 D3 F4 N O4 -","- C10 H6 D3 F4 N O4 -","- C40 H24 D12 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0717","0.0534","","","0.1357","0.1509","","","","","","1.03","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232962","7.2625","0.0008","9.694","0.001","18.657","0.002","90","","90","","90","","1313.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N O4 -","- C13 H7 F4 N O4 -","- C52 H28 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0793","0.0538","","","0.118","0.1429","","","","","","1.058","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232963","9.7554","0.0005","14.2346","0.0008","9.717","0.0005","90","","99.127","0.004","90","","1332.26","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.073","0.0493","","","0.1135","0.1313","","","","","","0.994","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232964","8.4573","0.0012","9.7338","0.0014","12.66","0.002","69.848","0.014","74.392","0.013","79.621","0.012","937.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 D2 F4 N O4 -","- C17 H21 D2 F4 N O4 -","- C34 H42 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.087","0.0532","","","0.1177","0.1387","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232965","9.5943","0.0008","20.769","0.002","6.8719","0.0006","90","","94.423","0.008","90","","1365.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O4 -","- C12 H13 F4 N O4 -","- C48 H52 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0958","0.0632","","","0.1394","0.1575","","","","","","1.052","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232966","7.2846","0.0005","9.708","0.0006","19.345","0.001","90","","90","","90","","1368.06","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0622","0.0428","","","0.087","0.0981","","","","","","1.037","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232967","9.6878","0.0005","7.2046","0.0005","17.3573","0.0009","90","","90","","90","","1211.48","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0564","0.0429","","","0.0901","0.0999","","","","","","1.059","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232968","9.6026","0.0009","17.6586","0.0015","9.0164","0.001","90","","110.17","0.011","90","","1435.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O5 -","- C12 H13 F4 N O5 -","- C48 H52 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0885","0.0532","","","0.1124","0.1312","","","","","","1.036","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232969","9.5797","0.0008","23.308","0.002","6.8151","0.0006","90","","94.216","0.008","90","","1517.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 D4 F4 N O4 -","- C13 H11 D4 F4 N O4 -","- C52 H44 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0945","0.0614","","","0.1337","0.1522","","","","","","1.035","","","","has coordinates,has disorder","223471","2020-10-21","18:00:00",""
"7232970","9.5893","0.0009","23.36","0.003","6.8268","0.0007","90","","94.249","0.008","90","","1525","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C52 H60 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1014","0.0606","","","0.1311","0.1559","","","","","","1.03","","","","has coordinates,has disorder","223471","2020-10-21","18:00:00",""
"7232971","9.6156","0.0018","17.699","0.003","9.019","0.002","90","","110.26","0.02","90","","1439.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O5 -","- C12 H9 D4 F4 N O5 -","- C48 H36 D16 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.105","0.0544","","","0.1036","0.1299","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232972","7.1303","0.0006","17.4758","0.0013","9.7449","0.0007","90","","102.38","0.008","90","","1186.05","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0776","0.0545","","","0.1188","0.1366","","","","","","1.062","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232973","9.7549","0.0006","14.2234","0.0008","9.7356","0.0005","90","","99.178","0.005","90","","1333.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0634","0.0456","","","0.1073","0.1169","","","","","","1.041","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232974","9.727","0.0005","7.2158","0.0005","17.3952","0.0011","90","","90","","90","","1220.94","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0482","0.0379","","","0.0808","0.0883","","","","","","1.07","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232975","9.5827","0.0015","20.741","0.003","6.8689","0.001","90","","94.476","0.013","90","","1361.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O4 -","- C12 H9 D4 F4 N O4 -","- C48 H36 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1276","0.0747","","","0.1737","0.2123","","","","","","1.06","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232976","7.1345","0.0005","17.4678","0.0013","9.7338","0.0007","90","","102.264","0.007","90","","1185.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0788","0.0523","","","0.1183","0.1392","","","","","","1.054","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232977","10.66526","0.00025","20.39976","0.00048","6.61154","0.00017","90","","90","","90","","1438.46","0.06","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Alpha-dichlorido-di(3-cyanopyridine)zinc","Alpha-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.168","1.601","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232978","3.64403","0.00018","13.81346","0.00076","13.1192","0.0011","90","","98.5316","0.0067","90","","653.07","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","","- C12 H8 Cl2 Fe N4 -","- C12 H8 Cl2 Fe N4 -","- C24 H16 Cl4 Fe2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6997","1.525","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232979","3.702978","0.000044","15.43091","0.00037","11.57802","0.00031","90","","91.4375","0.0016","90","","661.36","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)manganat(II)","catena-bis-chloro-di(3-cyanopyridine)manganat(II)","","- C12 H8 Cl2 Mn N4 -","- C12 H8 Cl2 Mn N4 -","- C24 H16 Cl4 Mn2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01167","1.156","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232980","16.08629","0.00049","3.58737","0.000097","14.19096","0.00054","90","","90","","90","","818.92","0.05","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","","- C6 H4 Cl2 Co N2 -","- C6 H4 Cl2 Co N2 -","- C24 H16 Cl8 Co4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6026","1.21","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232981","3.61682","0.00017","27.5043","0.0016","13.2081","0.0012","90","","97.492","0.015","90","","1302.7","0.16","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","","- C12 H8 Cl2 Co N4 -","- C12 H8 Cl2 Co N4 -","- C48 H32 Cl8 Co4 N16 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.2752","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232982","3.75604","0.0001","13.46533","0.00029","13.04425","0.00051","90","","97.3466","0.0032","90","","654.31","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-di(3-cyanopyridine)cuprat(II)","catena-dichloro-di(3-cyanopyridine)cuprat(II)","","- C12 H8 Cl2 Cu N4 -","- C12 H8 Cl2 Cu N4 -","- C24 H16 Cl4 Cu2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.9634","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232983","3.775299","0.000081","13.9311","0.00036","15.68492","0.0003","90","","96.1139","0.0029","90","","820.24","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-(3-cyanopyridine)cuprat(II)","catena-dichloro-(3-cyanopyridine)cuprat(II)","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.0574","1.466","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232984","16.53381","0.00094","3.69328","0.00012","14.45964","0.00092","90","","90","","90","","882.96","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)manganat(II)","catena-bis-chloro-(3-cyanopyridine)manganat(II)","","- C6 H4 Cl2 Mn N2 -","- C6 H4 Cl2 Mn N2 -","- C24 H16 Cl8 Mn4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.3538","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232985","3.5837","0.000033","27.28886","0.00029","13.18148","0.00026","90","","97.7149","0.0035","90","","1277.42","0.03","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C48 H32 Cl8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.9061","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232986","11.66192","0.00015","15.07309","0.00018","8.057182","0.000098","90","","91.0111","0.00086","90","","1416.08","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Beta-dichlorido-di(3-cyanopyridine)zinc","Beta-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00868","1.323","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232987","15.90267","0.00041","3.53278","0.000061","14.08069","0.00037","90","","90","","90","","791.06","0.03","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)nickelat(II)","catena-bis-chloro-(3-cyanopyridine)nickelat(II)","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C24 H16 Cl8 N8 Ni4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.8494","1.772","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232990","13.5686","0.0004","13.2178","0.0005","13.779","0.0005","90","","105.947","0.004","90","","2376.12","0.15","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","BhHASOD","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C116 H100 B4 F8 N16 -","4","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0492","0.0405","","","0.104","0.1102","","","","","","1.04","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232991","14.6653","0.0004","9.0291","0.0003","12.2807","0.0003","90","","93.859","0.002","90","","1622.46","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B Cu2 F2 I2 N6 -","- C27 H23 B Cu2 F2 I2 N6 -","- C54 H46 B2 Cu4 F4 I4 N12 -","2","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0731","0.0612","","","0.1812","0.2068","","","","","","1.147","","","","has coordinates,has disorder","216666","2020-10-21","18:00:00",""
"7232992","11.2952","0.0003","17.0907","0.0006","12.0417","0.0003","90","","94.541","0.003","90","","2317.27","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BHASOA","","- C27 H23 B F2 N6 -","- C27 H23 B F2 N6 -","- C108 H92 B4 F8 N24 -","4","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.059","0.0414","","","0.0925","0.1011","","","","","","1.039","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232993","6.2631","0.0005","11.5815","0.0007","16.431","0.0008","90.269","0.004","91.458","0.005","105.041","0.006","1150.56","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","BHASOB","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C58 H50 B2 F4 N8 -","2","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.0587","0.0448","","","0.1151","0.1271","","","","","","1.03","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232994","9.8116","0.0011","10.9371","0.001","13.6945","0.0012","89.204","0.007","87.705","0.008","78.296","0.008","1437.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 B Cu2 F2 I2 N4 -","- C29 H25 B Cu2 F2 I2 N4 -","- C58 H50 B2 Cu4 F4 I4 N8 -","2","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.1151","0.0758","","","0.1768","0.1993","","","","","","1.049","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232997","7.5895","0.0008","9.8629","0.001","14.7226","0.0017","90","","95.149","0.004","90","","1097.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N8 O4 -","- C9 H6 N8 O4 -","- C36 H24 N32 O16 -","4","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1335","0.0599","","","0.0994","0.1241","","","","","","1.057","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7232998","7.0409","0.0014","10.232","0.002","19.848","0.004","87.614","0.005","85.009","0.005","82.298","0.005","1411","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N16 O15 -","- C16 H23 Cl N16 O15 -","- C32 H46 Cl2 N32 O30 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1482","0.0823","","","0.2","0.2536","","","","","","0.979","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7232999","7.773","0.006","9.309","0.008","10.386","0.008","77.691","0.017","78.764","0.017","87.961","0.018","720.2","1","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl N9 O6 -","- C9 H8 Cl N9 O6 -","- C18 H16 Cl2 N18 O12 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.0799","0.0601","","","0.1697","0.1929","","","","","","1.025","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233000","10.704","0.004","10.704","","23.932","0.009","90","","90","","90","","2742","1.5","153","","153","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H15 N18 O15 -","- C16 H15 N18 O15 -","- C64 H60 N72 O60 -","4","0.5","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1337","0.0617","","","0.12","0.1592","","","","","","1.009","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233007","9.449","0.004","15.591","0.007","17.606","0.007","99.55","0.02","97.95","0.016","107.597","0.011","2388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1","1","","- C24 H18 Cl2 Hg N2 O4 -","- C24 H18 Cl2 Hg N2 O4 -","- C96 H72 Cl8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1122","0.0769","","","0.1548","0.176","","","","","","1.067","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233008","33.59","0.04","5.376","0.006","13.679","0.017","90","","112.928","0.013","90","","2275","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4","4","","- C22 H16 Cl2 Hg N4 O4 -","- C22 H16 Cl2 Hg N4 O4 -","- C88 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0513","0.0446","","","0.1091","0.1148","","","","","","1.149","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233009","9.436","0.005","15.89","0.01","17.648","0.01","99.93","0.03","97.67","0.02","107.083","0.017","2443","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2","2","","- C24 H18 Br2 Hg N2 O4 -","- C24 H18 Br2 Hg N2 O4 -","- C96 H72 Br8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1089","0.0785","","","0.1651","0.1828","","","","","","1.085","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233010","18.977","0.013","4.969","0.003","26.436","0.017","90","","97.967","0.008","90","","2469","3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","5","","- C22 H16 Br2 Hg N4 O4 -","- C22 H16 Br2 Hg N4 O4 -","- C88 H64 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0638","0.054","","","0.1149","0.121","","","","","","1.095","","","","has coordinates,has disorder","223527","2020-10-21","18:00:00",""
"7233011","22.181","0.007","10.916","0.003","27.34","0.007","90","","127.333","0.018","90","","5264","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","3","","- C24 H18 Hg I2 N2 O4 -","- C24 H18 Hg I2 N2 O4 -","- C192 H144 Hg8 I16 N16 O32 -","8","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0605","0.0493","","","0.1179","0.1247","","","","","","1.109","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233012","4.8756","0.001","9.889","0.002","14.245","0.003","85.77","0.03","88.56","0.03","80.94","0.03","676.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C15 H8 F6 N3 -","- C15 H8 F6 N3 -","- C30 H16 F12 N6 -","2","1","","Constantinides, Christos P.; Lawson, Daniel B.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Koutentis, Panayiotis A.","Ferromagnetic interactions in a 1D Heisenberg linear chain of 1-phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yls","CrystEngComm","2019","21","31","4599","","10.1039/C9CE00739C","","","1.54184","CuKα","","0.1545","0.1359","","","0.401","0.4092","","","","","","1.098","","","","has coordinates,has disorder","223676","2020-10-21","18:00:00",""
"7233013","7.457","0.005","7.942","0.007","11.259","0.007","71.93","0.06","74.01","0.04","89.57","0.07","607.2","0.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0726","0.0454","","","0.118","0.1323","","","","","","1.02","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233014","7.699","0.0017","8.464","0.008","10.046","0.004","85.13","0.05","83.78","0.03","89.63","0.04","648.4","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0745","","","","0.2404","","","","","","1.004","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233015","7.659","0.008","8.117","0.006","23.27","0.03","90","","96.74","0.08","90","","1437","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 S6 -","- C32 H26 N2 S6 -","- C64 H52 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0556","","","","0.1656","","","","","","0.927","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233016","8.64","0.008","9.63","0.005","9.702","0.005","107.84","0.04","108.51","0.05","101.57","0.06","687.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0755","","","","0.2391","","","","","","1.085","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233017","7.564","0.003","7.574","0.006","22.841","0.011","90","","96.9","0.03","90","","1299.1","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S6 -","- C28 H24 N2 S6 -","- C56 H48 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0584","0.0401","","","0.104","0.1144","","","","","","1.05","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233018","7.506","0.004","7.856","0.007","10.872","0.004","69.79","0.05","76.82","0.04","89.71","0.06","583.9","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.055","","","","0.1732","","","","","","1.017","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233019","7.541","0.006","8.263","0.006","11.632","0.007","70.08","0.05","75.07","0.06","89.43","0.06","656","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.1258","0.053","","","0.1264","0.1543","","","","","","0.999","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233020","7.317","0.004","7.754","0.014","11.041","0.005","104.81","0.07","101.31","0.04","91.4","0.09","592","1.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2946","","","","","","1.009","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233021","7.365","0.003","8.101","0.008","12.063","0.004","88.18","0.06","82.11","0.03","83.41","0.06","708.1","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2326","","","","","","1.049","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233022","7.271","0.003","9.426","0.009","11.546","0.006","67.88","0.05","74.83","0.04","79.16","0.05","704","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0538","","","","0.1582","","","","","","1","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233023","7.326","0.003","8.145","0.004","11.233","0.004","92.52","0.03","103.51","0.03","97.61","0.04","644","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0767","","","","0.2532","","","","","","0.967","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233027","25.864","0.005","17.137","0.003","15.838","0.003","90","","118.8","0.03","90","","6152","3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cd2 N6 O10 -","- C60 H42 Cd2 N6 O10 -","- C240 H168 Cd8 N24 O40 -","4","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0539","0.0483","","","0.1174","0.1209","","","","","","1.032","","","","has coordinates,has disorder","223515","2020-10-21","18:00:00",""
"7233028","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","223515","2020-10-21","18:00:00",""
"7233029","9.0814","0.0005","10.8169","0.0007","13.2198","0.001","71.227","0.006","77.368","0.006","76.688","0.005","1181.67","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N3 O4 -","- C28 H27 N3 O4 -","- C56 H54 N6 O8 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0619","0.0439","","","0.0913","0.1017","","","","","","1.069","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233030","10.4383","0.0008","11.4715","0.001","11.7976","0.0009","63.382","0.008","73.6","0.007","86.147","0.007","1208.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N5 O5 -","- C27 H25 N5 O5 -","- C54 H50 N10 O10 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.1028","0.0587","","","0.0893","0.111","","","","","","1.078","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233031","8.985","0.002","11.283","0.003","13.06","0.004","67.661","0.003","81.101","0.003","77.003","0.003","1189.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O4 -","- C28 H26 N4 O4 -","- C56 H52 N8 O8 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0686","0.0432","","","0.0831","0.0938","","","","","","1.046","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233032","10.674","0.003","11.727","0.003","12.647","0.003","94.364","0.005","108.528","0.004","97.669","0.005","1475.7","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N5 O6 -","- C33 H31 N5 O6 -","- C66 H62 N10 O12 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0815","0.0521","","","0.0993","0.1127","","","","","","1.027","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233033","8.8","0.002","13.141","0.003","13.204","0.003","113.694","0.007","99.703","0.007","107.153","0.007","1262.1","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N6 O7 -","- C27 H24 N6 O7 -","- C54 H48 N12 O14 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.1229","0.0564","","","0.1049","0.1187","","","","","","0.948","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233037","5.5006","0.0008","5.8258","0.0008","6.5611","0.0009","76.395","0.002","67.816","0.002","79.145","0.002","188.07","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0412","0.0385","","","0.1024","0.1049","","","","","","1.055","","","","has coordinates,has disorder","223530","2020-10-21","18:00:00",""
"7233038","7.439","0.002","8.215","0.002","8.298","0.002","97.332","0.004","104.578","0.004","104.053","0.004","466.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.067","0.0555","","","0.1517","0.1594","","","","","","1.109","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233039","5.654","0.003","5.802","0.003","6.648","0.003","76.505","0.008","66.44","0.007","79.984","0.008","193.59","0.17","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0496","0.0417","","","0.1165","0.1242","","","","","","1.053","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233040","8.2527","0.0013","6.6341","0.001","15.034","0.002","90","","99.847","0.002","90","","811","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0382","0.034","","","0.1012","0.1046","","","","","","1.095","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233050","9.3","0.0008","9.3023","0.0008","11.3137","0.001","94.166","0.007","108.407","0.008","96.344","0.007","916.98","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","1","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0776","0.0673","","","0.1822","0.1899","","","","","","1.079","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233051","8.8991","0.0003","13.0969","0.0004","19.863","0.0006","90","","90.033","0.003","90","","2315.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl4 N2 O3 Zn2 -","- C49 H48 Cl4 N2 O3 Zn2 -","- C98 H96 Cl8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0326","0.03","","","0.077","0.0787","","","","","","1.04","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233052","17.659","0.004","15.216","0.003","6.9834","0.0012","90","","94.06","0.02","90","","1871.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 Zn -","- C19 H18 Cl2 N2 O3 Zn -","- C76 H72 Cl8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.1643","0.0982","","","0.2086","0.2361","","","","","","1.063","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233053","11.8909","0.0007","12.6582","0.0007","25.0471","0.0016","90","","98.073","0.006","90","","3732.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 N4 O6 Zn -","- C38 H37 Cl3 N4 O6 Zn -","- C152 H148 Cl12 N16 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0624","0.0422","","","0.0938","0.102","","","","","","1.04","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233054","10.1512","0.0003","12.0717","0.0004","21.8754","0.0007","84.876","0.003","77.406","0.002","65.333","0.003","2377.43","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","","- C22 H26 Br2 N O3 Zn -","- C22 H26 Br2 N O3 Zn -","- C88 H104 Br8 N4 O12 Zn4 -","4","2","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.063","0.0567","","","0.1558","0.1657","","","","","","1.052","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233055","8.289","0.0005","21.5395","0.0016","12.2257","0.0011","90","","97.748","0.007","90","","2162.9","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N O2 Zn -","- C19 H22 Cl3 N O2 Zn -","- C76 H88 Cl12 N4 O8 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.1045","0.0651","","","0.1083","0.1217","","","","","","1.084","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233056","8.8651","0.00016","14.8667","0.0004","15.2523","0.0005","113.831","0.003","94.587","0.002","91.7161","0.0019","1828.62","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","","- C38 H36 Cl2 N4 O6 Zn -","- C38 H36 Cl2 N4 O6 Zn -","- C76 H72 Cl4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0393","0.0369","","","0.1015","0.1049","","","","","","1.031","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233057","12.388","0.006","13.671","0.007","14.855","0.008","108.02","0.05","101.2","0.04","101.01","0.04","2260","2","293","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl4 N4 O12 Zn2 -","- C38 H36 Cl4 N4 O12 Zn2 -","- C76 H72 Cl8 N8 O24 Zn4 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.2868","0.1182","","","0.2032","0.247","","","","","","1.074","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233058","8.9744","0.00014","12.9849","0.0002","20.5608","0.0003","90","","91.4476","0.0014","90","","2395.22","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) tetrabromide acetone solvate","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) propan-2-one tetrabromide","","- C49 H48 Br4 N2 O3 Zn2 -","- C49 H48 Br4 N2 O3 Zn2 -","- C98 H96 Br8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0405","0.0352","","","0.0908","0.0961","","","","","","1.037","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233059","21.9384","0.0011","9.7692","0.0004","21.2029","0.001","90","","97.634","0.005","90","","4503.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H56 Cl4 N2 O7 Zn2 -","- C44 H56 Cl4 N2 O7 Zn2 -","- C176 H224 Cl16 N8 O28 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0448","0.0389","","","0.0934","0.0972","","","","","","1.042","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233060","17.517","0.007","15.29","0.004","7.252","0.002","90","","92.47","0.03","90","","1940.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 N2 O3 Zn -","- C19 H18 Br2 N2 O3 Zn -","- C76 H72 Br8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.2563","0.1949","","","0.3823","0.4257","","","","","","1.439","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233061","6.5663","0.0008","15.809","0.0012","20.1333","0.0015","90","","90","","90","","2090","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl2 N2 O6 Zn -","- C19 H24 Cl2 N2 O6 Zn -","- C76 H96 Cl8 N8 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.6866","synchrotron","","0.1007","0.0699","","","0.1286","0.1396","","","","","","1.048","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233062","14.4022","0.0007","13.0338","0.0006","26.6165","0.0016","90","","99.77","0.006","90","","4923.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br4 N7 O6 Zn2 -","- C44 H45 Br4 N7 O6 Zn2 -","- C176 H180 Br16 N28 O24 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0632","0.0458","","","0.1028","0.1101","","","","","","1.06","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233063","9.1737","0.0006","14.969","0.0014","15.421","0.002","116.717","0.011","98.405","0.008","89.487","0.007","1867.4","0.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br2 N4 O6 Zn -","- C38 H36 Br2 N4 O6 Zn -","- C76 H72 Br4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0611","0.0416","","","0.0873","0.0949","","","","","","1.038","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233064","11.6156","0.0011","13.0124","0.0006","14.0058","0.0014","77.862","0.006","76.661","0.008","87.03","0.006","2013.8","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl4 Co N4 O7 -","- C38 H40 Cl4 Co N4 O7 -","- C76 H80 Cl8 Co2 N8 O14 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0632","","","0.1293","0.144","","","","","","1.041","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233065","11.9195","0.0009","12.6137","0.0007","25.1143","0.0014","90","","97.136","0.006","90","","3746.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 Co N4 O6 -","- C38 H37 Cl3 Co N4 O6 -","- C152 H148 Cl12 Co4 N16 O24 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0547","","","0.0971","0.1128","","","","","","1.023","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233066","11.8302","0.0004","12.7363","0.0003","24.687","0.0009","90","","98.6","0.003","90","","3677.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.07 H39.68 Br2.46 N4 O6.54 Zn -","- C39.0728 H39.6824 Br2.464 N4 O6.5364 Zn -","- C156.291 H158.73 Br9.856 N16 O26.1456 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0681","0.0529","","","0.1249","0.1316","","","","","","1.047","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233067","18.5626","0.0007","18.5626","0.0007","23.7453","0.001","90","","90","","120","","7085.8","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H16 Cu2 N O10 -","- C138 H96 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0776","0.0677","","","0.2631","0.2745","","","","","","1.091","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233068","18.6231","0.0007","18.6231","0.0007","23.8591","0.001","90","","90","","120","","7166.2","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0717","0.0488","","","0.1705","0.2016","","","","","","1.034","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233069","10.2378","0.0011","10.1117","0.0009","13.0302","0.001","90","","92.895","0.005","90","","1347.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0588","0.0436","","","0.1258","0.145","","","","","","1.057","","","","has coordinates","223513","2020-10-21","18:00:00",""
"7233070","16.1385","0.0017","4.7309","0.0005","15.7978","0.0017","90","","114.296","0.005","90","","1099.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0893","0.0602","","","0.1476","0.1743","","","","","","1.125","","","","has coordinates","223513","2020-10-21","18:00:00",""
"7233083","14.6447","0.001","10.5774","0.0008","16.4505","0.0012","90","","103.302","0.002","90","","2479.9","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PrTPTZ","","","- C20 H15 N10 O9 Pr -","- C20 H15 N10 O9 Pr -","- C80 H60 N40 O36 Pr4 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0875","0.0551","","","0.158","0.1988","","","","","","1.078","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233084","14.62","0.0007","10.5736","0.0005","16.4263","0.0007","90","","103.281","0.001","90","","2471.4","0.2","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NdTPTZ","","","- C20 H15 N10 Nd O9 -","- C20 H15 N10 Nd O9 -","- C80 H60 N40 Nd4 O36 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0501","0.041","","","0.0915","0.0974","","","","","","1.094","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233085","9.5767","0.0002","10.6201","0.0002","13.5852","0.0003","90.103","0.001","84.903","0.001","69.067","0.001","1284.56","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","HoTPTZ","","","- C20 H17 Ho N10 O10 -","- C20 H17 Ho N10 O10 -","- C40 H34 Ho2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0318","0.0302","","","0.0772","0.0786","","","","","","1.039","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233086","9.5728","0.0002","10.6394","0.0003","13.7014","0.0003","89.908","0.001","84.942","0.001","69.801","0.001","1303.93","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","NdTPTZ","","","- C20 H17 N10 Nd O10 -","- C20 H17 N10 Nd O10 -","- C40 H34 N20 Nd2 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.04","0.0356","","","0.0842","0.0876","","","","","","1.045","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233087","9.5833","0.0012","10.6466","0.0013","13.7055","0.0015","89.78","0.004","84.84","0.004","69.902","0.004","1307.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","PrTPTZ","","","- C20 H17 N10 O10 Pr -","- C20 H17 N10 O10 Pr -","- C40 H34 N20 O20 Pr2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.041","0.0382","","","0.0961","0.0989","","","","","","1.041","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233088","9.5666","0.0006","10.6253","0.0006","13.6627","0.0007","89.966","0.002","84.946","0.002","69.6","0.002","1295.95","0.13","303","2","303","2","","","","","","","","5","P -1","-P 1","2","SmTPTZ","","","- C20 H17 N10 O10 Sm -","- C20 H17 N10 O10 Sm -","- C40 H34 N20 O20 Sm2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0375","0.0333","","","0.0821","0.0855","","","","","","1.041","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233089","9.5825","0.0002","10.6229","0.0003","13.5597","0.0003","90.071","0.001","84.831","0.001","68.906","0.001","1281.72","0.05","288","2","288","2","","","","","","","","5","P -1","-P 1","2","ErTPTZ","","","- C20 H17 Er N10 O10 -","- C20 H17 Er N10 O10 -","- C40 H34 Er2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0362","0.0323","","","0.0798","0.0867","","","","","","1.065","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233090","9.912","0.0013","11.7216","0.0016","12.4564","0.0017","95.57","0.005","94.166","0.005","100.89","0.004","1408.3","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","LuTPTZ","","","- C22 H20 Lu N11 O10 -","- C22 H20 Lu N11 O10 -","- C44 H40 Lu2 N22 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0328","0.0316","","","0.0826","0.0837","","","","","","1.054","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233091","9.926","0.002","11.74","0.003","12.473","0.003","95.343","0.008","94.291","0.008","100.894","0.008","1414.7","0.6","292","2","292","2","","","","","","","","5","P -1","-P 1","2","TmTPTZ","","","- C22 H20 N11 O10 Tm -","- C22 H20 N11 O10 Tm -","- C44 H40 N22 O20 Tm2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0342","0.0325","","","0.0845","0.0861","","","","","","1.027","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233092","9.5677","0.0002","10.6207","0.0002","13.6374","0.0003","90.032","0.001","84.971","0.001","69.436","0.001","1291.75","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","GdTPTZ","","","- C20 H17 Gd N10 O10 -","- C20 H17 Gd N10 O10 -","- C40 H34 Gd2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0337","0.0317","","","0.0804","0.082","","","","","","1.029","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233093","9.345","0.003","19.718","0.005","11.382","0.003","90","","96.384","0.009","90","","2084.3","1","283","2","283","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UTPYZ","","","- C18 H12 N8 O8 U -","- C18 H12 N8 O8 U -","- C72 H48 N32 O32 U4 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0282","0.0195","","","0.0433","0.0476","","","","","","1.048","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233094","9.9111","0.0011","11.7258","0.0012","12.4564","0.0013","95.469","0.004","94.225","0.004","100.88","0.004","1408.9","0.3","302","2","302","2","","","","","","","","5","P -1","-P 1","2","YbTPTZ","","","- C22 H20 N11 O10 Yb -","- C22 H20 N11 O10 Yb -","- C44 H40 N22 O20 Yb2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0767","0.044","","","0.0988","0.1253","","","","","","1.046","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233095","9.5688","0.0005","10.6168","0.0005","13.6158","0.0007","90.041","0.002","84.944","0.002","69.288","0.002","1288.04","0.11","280","2","280","2","","","","","","","","5","P -1","-P 1","2","TbTPTZ","","","- C20 H17 N10 O10 Tb -","- C20 H17 N10 O10 Tb -","- C40 H34 N20 O20 Tb2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0343","0.0323","","","0.0828","0.0845","","","","","","1.049","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233096","9.5675","0.0005","10.6223","0.0006","13.6502","0.0007","90.02","0.002","84.971","0.002","69.52","0.002","1293.85","0.12","302","2","302","2","","","","","","","","5","P -1","-P 1","2","EuTPTZ","","","- C20 H17 Eu N10 O10 -","- C20 H17 Eu N10 O10 -","- C40 H34 Eu2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0339","0.0323","","","0.0816","0.083","","","","","","1.036","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233097","9.5733","0.0003","10.6196","0.0003","13.5996","0.0004","90.078","0.001","84.911","0.001","69.159","0.001","1286.24","0.07","303","2","303","2","","","","","","","","5","P -1","-P 1","2","DyTPTZ","","","- C20 H17 Dy N10 O10 -","- C20 H17 Dy N10 O10 -","- C40 H34 Dy2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0323","0.0304","","","0.0784","0.08","","","","","","1.038","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233133","6.2281","0.0005","19.4672","0.0019","15.2664","0.0013","90","","95.993","0.008","90","","1840.8","0.3","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","x-ray","1.54184","CuKα","","0.0729","0.0533","","","0.1489","0.1692","","","","","","1.051","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233134","5.761","0.0012","9.921","0.002","16.902","0.003","75.2","0.03","88.4","0.03","74.52","0.03","899.3","0.4","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","1","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.1365","0.136","","","0.3838","0.3839","","","","","","1.224","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233135","16.234","0.003","11.13","0.002","12.499","0.003","90","","105.22","0.03","90","","2179.2","0.8","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu2 N2 O8 -","- C38 H46 Cu2 N2 O8 -","- C76 H92 Cu4 N4 O16 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.0325","0.0318","","","0.087","0.0876","","","","","","1.055","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233136","16.584","0.003","11.077","0.002","12.668","0.003","90","","107.26","0.03","90","","2222.3","0.9","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43.87 N2 O8 Zn2 -","- C38 H43.87 N2 O8 Zn2 -","- C76 H87.74 N4 O16 Zn4 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","Synchrotron","","0.1072","0.0851","","","0.1892","0.2078","","","","","","1.075","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233207","9.7993","0.0004","9.7993","0.0004","7.2938","0.0003","90","","90","","120","","606.56","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.952 O25.66 P6 Sr10 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Jesche, Anton; Seidler, Maximilian L.; Tafeenko, Victor A.; Eliseev, Andrey A.; Trusov, Lev A.; Jansen, Martin","Manifestation of strong magnetic and giant Raman anisotropy in single crystals of Cu for H substituted strontium hydroxyapatite","CrystEngComm","2019","21","33","4976","","10.1039/C9CE00923J","","x-ray","0.71073","MoKα","","0.0537","0.0262","","","0.0254","0.0278","","","","1.1","1.1","0.97","","","","has coordinates","223529","2020-10-21","18:00:00",""
"7233208","8.9341","0.0004","8.9659","0.0005","11.9315","0.0006","75.325","0.004","81.348","0.004","89.62","0.004","913.55","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","tenoxicam acetone solvate","","","- C16 H17 N3 O5 S2 -","- C16 H17 N3 O5 S2 -","- C32 H34 N6 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.0518","0.0378","","","0.0971","0.1079","","","","","","1.052","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233209","9.596","0.0019","16.74","0.003","28.301","0.006","90","","90","","90","","4546.2","1.6","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tenoxicam chloroform II solvate","","","- C15 H13 Cl6 N3 O4 S2 -","- C15 H13 Cl6 N3 O4 S2 -","- C120 H104 Cl48 N24 O32 S16 -","8","2","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0869","0.0636","","","0.1623","0.1783","","","","","","1.03","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233210","9.1718","0.0003","8.9965","0.0003","21.1092","0.0008","90","","98.591","0.004","90","","1722.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tenoxicam acetonitrile solvat","","","- C15 H14 N4 O4 S2 -","- C15 H14 N4 O4 S2 -","- C60 H56 N16 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0613","0.0434","","","0.0934","0.1011","","","","","","1.058","","","","has coordinates","223698","2020-10-21","18:00:00",""
"7233211","9.106","0.0004","9.4381","0.0004","11.6586","0.0006","74.53","0.004","77.5","0.004","85.545","0.003","942.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tenoxicam dimethylformamide solvate","","","- C16 H18 N4 O5 S2 -","- C16 H18 N4 O5 S2 -","- C32 H36 N8 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0585","0.0427","","","0.111","0.1227","","","","","","1.04","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233212","13.579","0.003","10.135","0.002","14.88","0.003","90","","116.58","0.03","90","","1831.4","0.8","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform III solvate","","","- C14 H12 Cl3 N3 O4 S2 -","- C14 H12 Cl3 N3 O4 S2 -","- C56 H48 Cl12 N12 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0475","0.0424","","","0.108","0.1115","","","","","","1.056","","","","has coordinates","223698","2020-10-21","18:00:00",""
"7233213","10.6019","0.0012","12.781","0.001","28.841","0.002","90","","92.076","0.01","90","","3905.5","0.6","293","2","293","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform I solvate","","","- C28 H24 Cl6 N6 O8 S4 -","- C28 H24 Cl6 N6 O8 S4 -","- C112 H96 Cl24 N24 O32 S16 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.2576","0.1163","","","0.3158","0.3957","","","","","","1.034","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233231","12.1982","0.0009","12.6561","0.001","17.4615","0.0013","79.068","0.005","69.577","0.004","65.464","0.004","2295","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 O9 Sc -","- C15 H10 N5 O9 Sc -","- C60 H40 N20 O36 Sc4 -","4","2","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.1226","0.0527","","","0.1202","0.1355","","","","","","0.809","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233232","8.0179","0.0005","8.1281","0.0006","10.1235","0.0008","67.896","0.004","77.329","0.005","87.356","0.004","595.89","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C14 H10 N4 O16 Sc2 -","2","1","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.0371","0.0331","","","0.0944","0.0972","","","","","","1.072","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233233","14.5354","0.0008","6.9178","0.0004","15.7237","0.0008","90","","96.902","0.005","90","","1569.61","0.15","150","10","150","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F2 N4 O7 -","- C15 H12 F2 N4 O7 -","- C60 H48 F8 N16 O28 -","4","0.5","","Dai, Xia-Lin; Voronin, Alexander P.; Gao, Wei; Perlovich, German L.; Lu, Tong-Bu; Chen, Jia-Mei","Intermolecular interactions and permeability of 5-fluorouracil cocrystals with a series of isomeric hydroxybenzoic acids: a combined theoretical and experimental study","CrystEngComm","2019","21","34","5095","","10.1039/C9CE00661C","","x-ray","1.54184","CuKα","","0.0763","0.0592","","","0.1594","0.1806","","","","","","0.903","","","","has coordinates,has disorder","223719","2020-10-21","18:00:00",""
"7233236","15.001","0.002","5.5536","0.0005","21.455","0.003","90","","95.23","0.002","90","","1780","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1321","0.0562","","","0.148","0.1973","","","","","","1.014","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233237","15.6883","0.0018","11.7144","0.0012","17.777","0.0018","90","","109.199","0.003","90","","3085.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1708","0.1084","","","0.2562","0.317","","","","","","1.085","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233238","16.0435","0.0014","11.6969","0.0008","18.498","0.0015","90","","113.454","0.002","90","","3184.5","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd N2 O6 -","- C30 H25 Cd N2 O6 -","- C120 H100 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0561","0.0414","","","0.075","0.0789","","","","","","1.198","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233239","14.5475","0.0006","28.4089","0.0012","6.1616","0.0003","90","","90","","90","","2546.46","0.19","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0215","0.0204","","","0.0485","0.0491","","","","","","1.094","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233240","9.2536","0.0005","7.6512","0.0003","12.6769","0.0007","90","","108.093","0.002","90","","853.16","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0539","0.0451","","","0.0756","0.0773","","","","","","1.719","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233241","9.2808","0.0005","7.6511","0.0003","12.6946","0.0006","90","","108.142","0.002","90","","856.61","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0448","0.0385","","","0.1128","0.1167","","","","","","1.029","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233242","14.5483","0.0005","28.4278","0.0012","6.166","0.0002","90","","90","","90","","2550.11","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0309","0.0245","","","0.0559","0.0589","","","","","","0.971","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233243","10.5096","0.0006","10.9768","0.0004","12.5019","0.0006","104.759","0.004","107.34","0.005","97.38","0.004","1298.23","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0349","0.033","","","0.0938","0.0948","","","","","","1.1","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233244","10.4937","0.0006","10.9559","0.0004","12.5321","0.0006","104.652","0.004","107.923","0.004","97.114","0.004","1294.06","0.12","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0311","0.0295","","","0.0857","0.0866","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233245","10.5194","0.0006","10.9889","0.0004","12.5734","0.0006","104.589","0.004","108.172","0.005","96.992","0.004","1304.34","0.12","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0291","0.0276","","","0.0785","0.0792","","","","","","1.051","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233246","10.5156","0.0006","10.9858","0.0004","12.529","0.0006","104.707","0.004","107.578","0.005","97.265","0.004","1301.8","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0327","0.0309","","","0.0886","0.0896","","","","","","1.11","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233247","10.5121","0.0006","10.9835","0.0005","12.6782","0.0005","104.175","0.004","109.639","0.004","96.452","0.004","1305.96","0.12","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.028","0.0267","","","0.0735","0.0743","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233248","10.519","0.0006","10.9933","0.0005","12.6565","0.0005","104.317","0.004","109.262","0.004","96.536","0.004","1307.83","0.12","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0325","0.0313","","","0.0836","0.0846","","","","","","1.048","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233249","10.5964","0.001","11.0355","0.0007","12.9523","0.0013","102.131","0.007","112.002","0.009","97.133","0.006","1338.1","0.2","340","","340","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.045","0.0416","","","0.111","0.1132","","","","","","1.061","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233250","10.5333","0.0006","11.0035","0.0005","12.7511","0.0005","103.784","0.005","110.271","0.004","96.437","0.004","1315.34","0.12","280","","280","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0272","0.0259","","","0.0693","0.0698","","","","","","1.076","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233251","10.5256","0.0006","10.9947","0.0005","12.6032","0.0006","104.523","0.004","108.54","0.005","96.829","0.004","1306.91","0.13","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0444","0.043","","","0.1147","0.116","","","","","","0.999","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233252","10.5371","0.0006","11.0161","0.0005","12.7345","0.0005","104.005","0.005","109.918","0.004","96.448","0.004","1317.37","0.12","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0262","0.0249","","","0.07","0.0706","","","","","","1.081","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233253","10.5213","0.0005","10.9954","0.0005","12.6323","0.0005","104.438","0.004","108.872","0.004","96.664","0.004","1307.93","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.03","0.0288","","","0.0784","0.0792","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233254","10.5861","0.0008","11.0497","0.0006","12.8741","0.001","103.021","0.006","111.135","0.007","96.698","0.005","1335.67","0.19","320","","320","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0346","0.0324","","","0.0922","0.0937","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233255","10.5445","0.0007","11.0141","0.0006","12.786","0.0008","103.484","0.005","110.657","0.006","96.519","0.005","1319.52","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0303","0.0285","","","0.0774","0.0784","","","","","","1.084","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233256","10.6786","0.0015","11.0643","0.0014","13.078","0.003","98.788","0.014","113.593","0.018","99.692","0.011","1353.7","0.5","380","","380","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O11 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.1373","0.1222","","","0.2995","0.315","","","","","","1.189","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233257","10.661","0.0013","11.0866","0.0011","13.1016","0.0015","100.439","0.01","112.923","0.012","98.339","0.009","1362.3","0.3","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C19.01 H22.36 N2.34 O11.34 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.113","0.0996","","","0.2571","0.2788","","","","","","1.101","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233260","6.206","0.005","7.228","0.005","11.882","0.005","93.919","0.005","98.389","0.005","108.883","0.005","495.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 N12 O8 P0 S2 -","- C8 H20 N12 O8 S2 -","- C8 H20 N12 O8 S2 -","1","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0578","0.0471","","","0.1399","0.1483","","","","","","1.068","","","","has coordinates","288504","2023-12-22","13:56:47",""
"7233261","5.688","0.005","8.922","0.005","11.235","0.005","90","0.005","91.065","0.005","90","0.005","570.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N2 O6 S2 -","- C6 H14 N2 O6 S2 -","- C12 H28 N4 O12 S4 -","2","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid‒base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0555","0.0473","","","0.1234","0.1301","","","","","","1.147","","","","has coordinates","223532","2020-10-21","18:00:00",""
"7233262","9.8904","0.0002","22.5488","0.0005","20.4885","0.0004","90","","95.634","0.007","90","","4547.2","0.17","90","2","89.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(aqua)Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C32 H60 Er N14 O9 W -","- C32 H60 Er N14 O9 W -","- C128 H240 Er4 N56 O36 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0764","0.0529","","","0.0975","0.105","","","","","","1.069","","","","has coordinates","223568","2020-10-21","18:00:00",""
"7233263","9.614","0.0008","18.1609","0.0012","25.5697","0.0018","90","","98.033","0.007","90","","4420.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)Tetrakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C28 H51.5 Er N13 O11 W -","- C28 H51.5 Er N13 O11 W -","- C112 H206 Er4 N52 O44 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0924","0.0498","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233264","9.7633","0.0004","19.5696","0.0008","10.411","0.0005","90","","109.168","0.008","90","","1878.89","0.17","90","2","89.95","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V)","","- C28 H45 Er N13 O5 W -","- C28 H45 Er N13 O5 W -","- C56 H90 Er2 N26 O10 W2 -","2","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.037","0.0338","","","0.0529","0.0536","","","","","","1.101","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233265","6.9129","0.0009","7.248","0.0009","14.7369","0.0019","76.471","0.005","81.089","0.005","64.077","0.005","644.49","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0703","0.0418","","","0.0966","0.1113","","","","","","1.007","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233266","5.9287","0.0004","7.2856","0.0005","14.804","0.0009","97.067","0.002","95.028","0.002","112.098","0.002","581.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0409","0.0324","","","0.0766","0.0811","","","","","","1.034","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233267","12.2519","0.0004","7.2378","0.0003","13.8051","0.0005","90","","112.02","0.001","90","","1134.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl4 F4 N4 -","- C22 H10 Cl4 F4 N4 -","- C44 H20 Cl8 F8 N8 -","2","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0356","0.031","","","0.0875","0.0922","","","","","","1.064","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233268","5.9278","0.0009","7.2851","0.0011","15.889","0.003","97.953","0.005","97.431","0.005","111.124","0.004","621.86","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0638","0.039","","","0.0812","0.0903","","","","","","1.007","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233269","9.4437","0.0018","12.112","0.002","12.277","0.002","89.884","0.006","79.464","0.007","68.789","0.006","1283.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0415","0.0307","","","0.0756","0.0796","","","","","","1.013","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233270","9.2538","0.0019","12.411","0.003","12.462","0.003","90.28","0.007","100.334","0.007","110.73","0.006","1313.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0545","0.0433","","","0.1049","0.1131","","","","","","1.043","","","","has coordinates,has disorder","223528","2020-10-21","18:00:00",""
"7233271","12.6345","0.0012","12.9723","0.0014","16.388","0.0017","75.775","0.003","85.999","0.003","75.114","0.002","2516.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H46 N2 O12 Zn2 -","- C57 H46 N2 O12 Zn2 -","- C114 H92 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0943","0.0553","","","0.1193","0.1346","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233272","12.9","0.009","17.379","0.012","19.453","0.013","107.447","0.009","107.199","0.01","98.981","0.009","3828","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N2 O12 Zn2 -","- C64 H48 N2 O12 Zn2 -","- C128 H96 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.1206","0.0587","","","0.1614","0.2","","","","","","0.879","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233273","8.831","0.002","12.567","0.003","13.429","0.003","94.747","0.008","100.867","0.008","109.277","0.007","1364.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 N2.5 O6 Zn -","- C29 H22.5 N2.5 O6 Zn -","- C58 H45 N5 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.086","0.0514","","","0.1289","0.1484","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233274","9.0045","0.001","12.3297","0.0015","12.9229","0.0014","93.075","0.004","108.765","0.003","99.295","0.004","1332","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23.5 N1.5 O6 Zn -","- C31 H23.5 N1.5 O6 Zn -","- C62 H47 N3 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0521","0.0409","","","0.1094","0.1166","","","","","","1.077","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233275","17.3785","0.0005","15.1256","0.0004","22.8088","0.0006","90","","90","","90","","5995.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cu2 N5 O13 -","- C24 H33 Cu2 N5 O13 -","- C192 H264 Cu16 N40 O104 -","8","1","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0572","0.0373","","","0.0922","0.1117","","","","","","1.116","","","","has coordinates,has disorder","223704","2020-10-21","18:00:00",""
"7233276","7.4296","0.0002","8.7967","0.0003","10.0511","0.0003","105.965","0.001","95.073","0.001","109.261","0.001","584.48","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","1","0.5","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0315","0.0275","","","0.0646","0.0672","","","","","","1.0715","","","","has coordinates","223704","2020-10-21","18:00:00",""
"7233278","10.186","0.002","7.5771","0.0015","38.191","0.008","90","","90","","90","","2947.6","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C136 H160 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0691","0.0583","","","0.1389","0.1464","","","","","","1.083","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233279","7.536","0.0015","8.1498","0.0016","28.44","0.006","90","","94.9","0.03","90","","1740.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0732","0.0604","","","0.1486","0.16","","","","","","1.043","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233280","10.827","0.002","7.5021","0.0015","21.322","0.004","90","","97.39","0.03","90","","1717.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.044","0.0372","","","0.0945","0.0991","","","","","","1.06","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233281","10.303","0.002","7.6173","0.0015","38.517","0.008","90","","90","","90","","3022.9","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl2 N4 O4 -","- C32 H34 Cl2 N4 O4 -","- C128 H136 Cl8 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0771","0.0634","","","0.1529","0.1634","","","","","","1.089","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233294","7.7164","0.0007","9.6706","0.0009","11.0779","0.0011","68.296","0.001","83.965","0.003","85.654","0.003","763.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O8 Zn -","- C14 H14 N2 O8 Zn -","- C28 H28 N4 O16 Zn2 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","1.54178","CuKα","","0.0873","0.0576","","","0.1233","0.1446","","","","","","1.007","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233295","7.464","0.0007","10.1801","0.0009","13.3769","0.0011","70.626","0.001","77.55","0.003","74.234","0.001","913.95","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cd N2 O11 -","- C14 H20 Cd N2 O11 -","- C28 H40 Cd2 N4 O22 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","0.71073","MoKα","","0.1405","0.1106","","","0.2684","0.2841","","","","","","1.088","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233296","17.903","0.003","16.7851","0.0016","21.149","0.002","90","","96.467","0.004","90","","6314.9","1.4","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C49 H25 Gd N4 O10 Zn -","- C49 H25 Gd N4 O10 Zn -","- C196 H100 Gd4 N16 O40 Zn4 -","4","1","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Goswami, Soumyabrata; Phukan, Nithi","Location controlled symmetry reduction: paradigm of an open metalloporphyrin framework based on the tetracarboxy porphyrin linker","CrystEngComm","2019","21","35","5216","","10.1039/C9CE01107B","","","0.71073","MoKα","","0.1528","0.0892","","","0.2385","0.2851","","","","","","1.061","","","","has coordinates","223702","2020-10-21","18:00:00",""
"7233297","12.4174","0.0002","18.7937","0.0004","18.6491","0.0004","90","","90.148","0.003","90","","4352.11","0.15","295","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C92 H96 N24 -","- C92 H96 N24 -","- C184 H192 N48 -","2","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.0945","0.0634","","","0.1875","0.2027","","","","","","0.963","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233298","7.85","0.01","16.3","0.01","27.56","0.01","90","","91.9","0.01","90","","3525","5","293","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N12 -","- C38 H32 N12 -","- C152 H128 N48 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.3751","0.0714","","","0.1424","0.2477","","","","","","0.624","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233299","6.1192","0.0006","17.6034","0.0005","18.3391","0.0006","90","","90","","90","","1975.5","0.2","293","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N6 -","- C21 H16 N6 -","- C84 H64 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1358","0.0781","","","0.2019","0.2643","","","","","","1.028","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233300","7.8491","0.0003","18.6184","0.0005","15.9194","0.0005","90","","99.823","0.003","90","","2292.32","0.13","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C100 H112 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1314","0.094","","","0.2666","0.2969","","","","","","1.085","","","","has coordinates,has disorder","223697","2020-10-21","18:00:00",""
"7233301","5.2981","0.0003","11.751","0.0006","13.3334","0.0006","90","","90","","90","","830.11","0.07","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0686","0.0457","","","0.0928","0.1023","","","","","","1.072","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233302","8.0209","0.0003","21.4464","0.0006","11.1543","0.0003","90","","98.181","0.001","90","","1899.23","0.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu N10 O6 -","- C44 H32 Cu N10 O6 -","- C88 H64 Cu2 N20 O12 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0627","0.0447","","","0.0932","0.0995","","","","","","1.075","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233303","8.7934","0.0011","14.5059","0.0017","12.1149","0.0014","90","","105.893","0.004","90","","1486.3","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N3 Zn -","- C16 H11 Cl2 N3 Zn -","- C64 H44 Cl8 N12 Zn4 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.08","0.0476","","","0.1018","0.1149","","","","","","1.032","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233304","11.9823","0.0004","13.3952","0.0005","21.6046","0.0008","90","","92.769","0.001","90","","3463.6","0.2","150","2","149.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C192 H132 N36 -","12","3","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.098","0.0533","","","0.1178","0.141","","","","","","1.024","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233305","7.8817","0.0004","8.3565","0.0004","13.6764","0.0007","84.043","0.002","89.244","0.002","63.942","0.001","804.31","0.07","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cu N5 O6 -","- C16 H11 Cu N5 O6 -","- C32 H22 Cu2 N10 O12 -","2","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0378","0.0285","","","0.0631","0.0666","","","","","","1.055","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233306","27.835","0.004","5.1802","0.0007","6.7211","0.0009","90","","95.439","0.003","90","","964.8","0.2","150","2","150.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H16 Cl2 N4 Zn -","- C22 H16 Cl2 N4 Zn -","- C44 H32 Cl4 N8 Zn2 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0382","0.0317","","","0.0632","0.0654","","","","","","0.96","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233307","17.49","0.0003","21.7156","0.0003","16.5786","0.0003","90","","90","","90","","6296.65","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H24 In N O7 -","- C31 H24 In N O7 -","- C248 H192 In8 N8 O56 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0672","0.0604","","","0.1744","0.1817","","","","","","1.097","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233308","17.5673","0.0003","25.7031","0.0005","24.4991","0.0004","90","","91.155","0.001","90","","11059.9","0.3","173","2","173","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C28 H15 In O8 -","- C28 H15 In O8 -","- C224 H120 In8 O64 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0681","0.0641","","","0.181","0.1874","","","","","","1.006","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233309","9.0282","0.0002","15.3282","0.0003","26.6329","0.0005","90.906","0.002","91.479","0.002","98.927","0.002","3639.03","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 In2 N2 O16 -","- C66 H38 In2 N2 O16 -","- C132 H76 In4 N4 O32 -","2","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","0.71073","MoKα","","0.0975","0.0907","","","0.2171","0.2203","","","","","","1.181","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233310","8.5776","0.0001","26.9064","0.0005","15.5158","0.0002","90","","91.233","0.001","90","","3580.1","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 In N2 O8 -","- C31 H25 In N2 O8 -","- C124 H100 In4 N8 O32 -","4","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0368","0.0346","","","0.1007","0.1022","","","","","","1.075","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233315","16.5074","0.0005","16.5074","0.0005","36.8034","0.0014","90","","90","","90","","10028.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C49 H65 N3 O14 -","- C49 H65 N3 O14 -","- C392 H520 N24 O112 -","8","1","","Grepioni, F.; Braga, D.; Chelazzi, L.; Shemchuk, O.; Maffei, P.; Sforzini, A.; Viscomi, G. C.","Improving solubility and storage stability of rifaximin via solid-state solvation with Transcutol®","CrystEngComm","2019","21","35","5278","","10.1039/C9CE00567F","","","0.71073","MoKα","","0.2188","0.0907","","","0.1148","0.1481","","","","","","1.069","","","","has coordinates","223705","2020-10-21","18:00:00",""
"7233319","14.633","0.005","14.936","0.005","8.352","0.003","90","","104.445","0.005","90","","1767.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C68 H60 N12 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0645","0.0379","","","0.0862","0.0976","","","","","","1.008","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233320","11.4324","0.0016","11.544","0.003","11.2605","0.0016","90","","90.022","0.002","90","","1486.1","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 Ni O10 -","- C28 H22 N4 Ni O10 -","- C56 H44 N8 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0998","0.0551","","","0.1351","0.1602","","","","","","1.029","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233321","8.2076","0.0007","10.393","0.0009","10.7793","0.0009","89.31","0.001","68.817","0.001","79.981","0.001","842.99","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","1","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0392","0.0363","","","0.0957","0.0983","","","","","","1.03","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233322","11.8498","0.0005","23.5626","0.001","9.8007","0.0004","90","","113.262","0.001","90","","2514.02","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N8 Ni O8 -","- C54 H44 Cl2 N8 Ni O8 -","- C108 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0595","0.0418","","","0.0981","0.107","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233323","17.734","0.0007","11.1559","0.0007","14.5549","0.0008","90","","104.509","0.002","90","","2787.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H25 N5 Ni O10 -","- C28 H25 N5 Ni O10 -","- C112 H100 N20 Ni4 O40 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0461","0.0376","","","0.0838","0.0884","","","","","","1.031","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233324","19.736","0.002","8.6412","0.0009","17.026","0.0017","90","","113.939","0.002","90","","2653.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 Ni O7 -","- C29 H26 N4 Ni O7 -","- C116 H104 N16 Ni4 O28 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.126","0.0553","","","0.0988","0.1235","","","","","","1.015","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233325","11.6915","0.0004","23.6757","0.0008","10.0123","0.0004","90","","109.32","0.001","90","","2615.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 N8 Ni O10 -","- C56 H50 N8 Ni O10 -","- C112 H100 N16 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.049","0.0389","","","0.0927","0.1018","","","","","","1.053","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233326","11.812","0.0005","12.7047","0.0005","11.6302","0.0005","90","","115.925","0.001","90","","1569.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 Ni O12 -","- C28 H36 N4 Ni O12 -","- C56 H72 N8 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.041","0.0342","","","0.1009","0.106","","","","","","1.003","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233327","10.296","0.002","13.49","0.003","22.862","0.004","90","","98.471","0.005","90","","3140.7","1.1","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 Ni O8 -","- C34 H26 N4 Ni O8 -","- C136 H104 N16 Ni4 O32 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1055","0.0543","","","0.1179","0.1387","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233328","7.9733","0.0007","13.0731","0.001","15.2385","0.0013","96.988","0.002","96.414","0.002","104.434","0.002","1510.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N5 Ni O12 -","- C28 H29 N5 Ni O12 -","- C56 H58 N10 Ni2 O24 -","2","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1082","0.0545","","","0.1078","0.1314","","","","","","1.001","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233329","12.803","0.009","4.63","0.003","13.233","0.009","90","","109.94","0.02","90","","737.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.048","0.0296","","","0.0612","0.0674","","","","","","1.028","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233330","8.2382","0.0014","8.6956","0.0014","11.674","0.002","83.844","0.006","70.803","0.005","79.456","0.005","775.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C28 H24 Cl8 O4 -","4","2","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0809","0.0585","","","0.1404","0.1599","","","","","","1.023","","","","has coordinates","223706","2020-10-21","18:00:00",""
"7233331","7.182","0.004","14.93","0.009","15.398","0.009","107.741","0.018","97.263","0.018","100.108","0.019","1519.4","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C56 H48 Cl16 O8 -","8","4","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0777","0.048","","","0.1215","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233332","7.0731","0.0017","7.5134","0.0019","21.137","0.005","92.27","0.006","94.494","0.007","94.926","0.007","1114.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C42 H36 Cl12 O6 -","6","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0942","0.0513","","","0.1019","0.1206","","","","","","1.038","","","","has coordinates","223706","2020-10-21","18:00:00",""
"7233333","6.0322","0.0003","16.5564","0.001","22.5967","0.0009","90","","90","","90","","2256.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 I O -","- C7 H6 I O -","- C84 H72 I12 O12 -","12","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0351","0.0284","","","0.0663","0.0701","","","","","","1.046","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233334","4.2512","0.0009","14.458","0.003","13.5","0.003","90","","97.411","0.008","90","","822.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br2 O -","- C7 H6 Br2 O -","- C28 H24 Br8 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0703","0.0369","","","0.0711","0.0817","","","","","","1.051","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233335","8.3294","0.0006","9.6074","0.0007","16.413","0.0011","86.861","0.005","84.758","0.005","74.072","0.006","1257.12","0.16","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0627","0.0544","","","0.1522","0.1694","","","","","","0.787","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233336","18.5349","0.0008","8.8497","0.0003","14.3748","0.0005","90","","91.092","0.004","90","","2357.45","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0608","0.0546","","","0.1562","0.1648","","","","","","0.817","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233337","14.6108","0.0006","17.6065","0.0009","31.2383","0.0016","90","","97.693","0.002","90","","7963.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Dy4 N15 O20.5 -","- C70 H75 Dy4 N13 O20 -","- C280 H300 Dy16 N52 O80 -","4","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1191","0.0655","","","0.1026","0.1135","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233338","57.391","0.003","13.9533","0.0006","24.8627","0.001","90","","115.263","0.001","90","","18005.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H93 Cl4 Dy2 Fe4 N16 O21.5 -","- C69 H71 Cl4 Dy2 Fe4 N11 O18 -","- C552 H568 Cl32 Dy16 Fe32 N88 O144 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1204","0.0695","","","0.1332","0.1492","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233345","13.2777","0.0011","16.2811","0.0014","14.0218","0.0012","90","","97.395","0.001","90","","3006","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu N11 O4 Tb -","- C27 H24 Cu N11 O4 Tb -","- C108 H96 Cu4 N44 O16 Tb4 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0327","0.0273","","","0.0723","0.0751","","","","","","1.032","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233346","13.244","0.011","16.166","0.014","14.029","0.012","90","","97.826","0.014","90","","2976","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Gd N11 O4 -","- C27 H24 Cu Gd N11 O4 -","- C108 H96 Cu4 Gd4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0815","0.049","","","0.0927","0.1031","","","","","","1.025","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233347","13.2179","0.0017","16.209","0.002","13.9594","0.0018","90","","97.364","0.002","90","","2966.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Dy N11 O4 -","- C27 H24 Cu Dy N11 O4 -","- C108 H96 Cu4 Dy4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0917","","","","","","0.987","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233348","8.1484","0.0006","11.1597","0.0009","12.1161","0.0009","64.235","0.003","87.836","0.003","81.558","0.003","981.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","1","0.5","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0319","0.0263","","","0.0779","0.0895","","","","","","1.171","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233349","10.5412","0.0004","14.2159","0.0006","16.8559","0.0006","71.294","0.001","88.816","0.001","86.636","0.001","2388.35","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C88 H86 Ag4 Cl4 N14 O16 P4 -","2","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0454","0.0395","","","0.1034","0.1141","","","","","","1.106","","","","has coordinates,has disorder","223499","2020-10-21","18:00:00",""
"7233350","9.1529","0.0005","18.4467","0.001","20.8604","0.0013","90","","101.679","0.002","90","","3449.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C136 H112 Cl8 Cu8 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0308","0.0246","","","0.0726","0.0916","","","","","","1.021","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233351","9.2146","0.0004","22.3264","0.0011","20.6049","0.001","90","","102.501","0.002","90","","4138.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C144 H128 Ag8 Cl24 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0586","0.0421","","","0.1251","0.1417","","","","","","0.992","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233356","6.885","0.0011","13.936","0.002","24.919","0.003","90","","102.6","0.005","90","","2333.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.108","0.0853","","","0.253","0.2734","","","","","","1.007","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233357","8.9809","0.0006","7.3118","0.0005","38.083","0.003","90","","94.095","0.001","90","","2494.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0823","0.0858","","","","","","1.085","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233358","7.234","0.002","9.378","0.003","35.927","0.011","89.798","0.006","88.075","0.006","87.452","0.006","2433.5","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O9 -","- C26 H21 N5 O9 -","- C104 H84 N20 O36 -","4","2","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1169","0.0746","","","0.168","0.1837","","","","","","1.121","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233359","13.6779","0.0011","18.3499","0.0014","17.2493","0.0014","90","","102.983","0.003","90","","4218.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 N8 O16 -","- C47 H32 N8 O16 -","- C188 H128 N32 O64 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1378","0.155","","","","","","1.004","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233360","7.037","0.003","9.676","0.004","19.738","0.008","87.593","0.011","82.035","0.011","84.659","0.013","1324.6","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N5 O8 -","- C31 H21 N5 O8 -","- C62 H42 N10 O16 -","2","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1522","0.1019","","","0.2847","0.3186","","","","","","1.056","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233361","8.8909","0.0011","7.8185","0.001","36.688","0.005","90","","96.018","0.004","90","","2536.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.081","0.0748","","","0.1902","0.1959","","","","","","1.036","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233362","21.064","0.0017","7.3594","0.0005","17.0447","0.0013","90","","112.32","0.002","90","","2444.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0633","0.0391","","","0.0861","0.0984","","","","","","1.017","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233363","8.9784","0.0015","7.2372","0.0012","38.16","0.007","90","","94.321","0.004","90","","2472.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0476","0.0426","","","0.1146","0.1189","","","","","","1.058","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233364","21.301","0.005","7.2862","0.0013","17.188","0.003","90","","113.047","0.005","90","","2454.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1062","0.0564","","","0.1188","0.1378","","","","","","1.025","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233365","8.931","0.001","7.2239","0.0008","38.218","0.005","90","","94.402","0.002","90","","2458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N5 O8 -","- C26 H18 Cl N5 O8 -","- C104 H72 Cl4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0522","0.0371","","","0.0902","0.0981","","","","","","1.026","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233366","6.8096","0.0002","7.953","0.0003","14.0826","0.0004","94.042","0.002","103.561","0.002","103.726","0.003","713.78","0.04","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine 2-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C28 H28 N8 O10 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0982","0.1003","","","","","","1.046","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233367","6.4812","0.0002","23.7503","0.0007","9.3288","0.0003","90","","101.841","0.003","90","","1405.43","0.08","149.95","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine 3-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.043","0.0377","","","0.0976","0.1016","","","","","","1.077","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233368","7.0166","0.0002","12.4761","0.0004","24.645","0.0008","99.639","0.003","91.74","0.003","99.464","0.003","2094.29","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine di(4-hydroxybenzoic acid) monohydrate","","- C21 H22 N4 O9 -","- C21 H22 N4 O9 -","- C84 H88 N16 O36 -","4","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0525","0.0452","","","0.1325","0.1388","","","","","","1.067","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233394","8.3364","0.0001","24.4555","0.0003","11.4028","0.0001","90","","90.717","0.001","90","","2324.52","0.04","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 I N O3 -","- C25 H28 I N O3 -","- C100 H112 I4 N4 O12 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0613","0.0618","","","","","","1.056","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233395","8.77916","0.00011","19.3848","0.0002","11.98474","0.00015","90","","89.748","0.0011","90","","2039.57","0.04","172.97","0.1","172.97","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 I N O2 -","- C24 H24 I N O2 -","- C96 H96 I4 N4 O8 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0784","0.0787","","","","","","1.06","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233396","9.71088","0.00005","16.39216","0.00009","15.37234","0.00009","90","","97.2646","0.0005","90","","2427.36","0.02","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 S -","- C32 H19 N5 S -","- C128 H76 N20 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0362","0.0346","","","0.0905","0.0919","","","","","","1.051","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233397","9.74862","0.00008","17.91753","0.00015","17.82303","0.00015","90","","92.1261","0.0008","90","","3111.03","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 N6 O4 S -","- C39 H24 N6 O4 S -","- C156 H96 N24 O16 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0414","0.0389","","","0.1042","0.1062","","","","","","1.029","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233398","10.12758","0.00005","16.68174","0.0001","19.48203","0.0001","90","","99.0942","0.0005","90","","3250.03","0.03","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 F3 N5 O2 S -","- C40 H24 F3 N5 O2 S -","- C160 H96 F12 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0618","0.0568","","","0.158","0.1623","","","","","","1.065","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233399","9.72297","0.00007","17.69375","0.00011","18.28982","0.00012","90","","94.3128","0.0006","90","","3137.59","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N6 O2 S -","- C40 H24 N6 O2 S -","- C160 H96 N24 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0386","0.0357","","","0.092","0.0942","","","","","","1.025","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233400","9.93969","0.00008","17.64482","0.00016","17.57204","0.00014","90","","93.1282","0.0008","90","","3077.26","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 N5 O2 S -","- C39 H25 N5 O2 S -","- C156 H100 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0374","0.0355","","","0.0927","0.0942","","","","","","1.043","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233401","19.109","0.002","19.109","0.002","8.6482","0.0011","90","","90","","120","","2734.8","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H70 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.0337","0.0281","","","0.073","0.0752","","","","","","1.079","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233402","19.1877","0.0019","19.1877","0.0019","8.5095","0.0009","90","","90","","120","","2713.2","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H90 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.1479","0.0728","","","0.1506","0.1859","","","","","","0.997","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233404","16.836","0.0014","24.094","0.002","17.7653","0.0015","90","","117.791","0.003","90","","6375.2","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H147 Cd4 N19 Na2 O35 -","- C109 H147 Cd4 N19 Na2 O35 -","- C218 H294 Cd8 N38 Na4 O70 -","2","0.5","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.1197","0.0692","","","0.1883","0.2216","","","","","","1.045","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233405","43.6114","0.0018","43.6114","0.0018","43.6114","0.0018","90","","90","","90","","82947","6","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H90 N6 O31 Zn7 -","- C72 H72 N6 O31 Zn7 -","- C1152 H1152 N96 O496 Zn112 -","16","0.0833333","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.2533","0.1448","","","0.3452","0.4833","","","","","","1.688","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233406","10.0881","0.0002","10.2574","0.0002","14.2782","0.0003","76.988","0.002","72.988","0.002","82.528","0.002","1373.28","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0411","0.0384","","","0.0995","0.1014","","","","","","1.069","","","","has coordinates","223696","2020-10-21","18:00:00",""
"7233407","16.2198","0.0002","10.5608","0.0001","21.3159","0.0002","90","","90","","90","","3651.29","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cu2 N4 O14 -","- C34 H28 Cu2 N4 O14 -","- C136 H112 Cu8 N16 O56 -","4","0.5","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0546","0.0506","","","0.1522","0.1572","","","","","","1.07","","","","has coordinates,has disorder","223696","2020-10-21","18:00:00",""
"7233408","12.5556","0.0011","10.9547","0.0012","26.244","0.003","90","","91.529","0.009","90","","3608.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O -","- C18 H12 O -","- C216 H144 O12 -","12","6","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.2173","0.1143","","","0.2825","0.386","","","","","","0.987","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233409","10.4667","0.0006","11.5284","0.0004","10.3816","0.0005","90","","104.218","0.006","90","","1214.32","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","1","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.0671","0.0491","","","0.1293","0.146","","","","","","1.038","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233410","34.3656","0.0014","7.0662","0.0003","9.9016","0.0004","90","","98.266","0.004","90","","2379.47","0.17","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.05","0.0482","","","0.1392","0.1413","","","","","","1.096","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233411","8.1482","0.0007","11.8292","0.001","13.9004","0.0012","79.258","0.002","78.938","0.002","80.499","0.002","1280.21","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Cl4 Co N5 O3 S -","- C21 H22 Cl4 Co N5 O3 S -","- C42 H44 Cl8 Co2 N10 O6 S2 -","2","1","","Chattopadhyay, Shouvik; Ghosh, Kousik; Banerjee, Snehasis","Relative stability of cis and trans isomers of octahedral cobalt(III) complexes of the type [Co(N2O2)X2] with tetradentate salen type Schiff bases: A combined theoretical and experimental study","CrystEngComm","2019","","","","","10.1039/C9CE00922A","","","0.71073","MoKα","","0.04","0.0301","","","0.1028","0.1289","","","","","","0.998","","","","has coordinates","217642","2020-10-21","18:00:00",""
"7233412","5.19987","0.00006","11.27107","0.00012","12.08308","0.00011","103.642","0.0008","98.8523","0.0009","101.498","0.0009","659.199","0.013","100","","100","1","","","","","","","","5","P -1","-P 1","2","","N-n-butyltetrachlorophthalimide","","- C12 H9 Cl4 N O2 -","- C12 H9 Cl4 N O2 -","- C24 H18 Cl8 N2 O4 -","2","1","","Owczarzak, Agata; Dutkiewicz, Grzegorz; Kubicki, Maciej","Charge density distribution in the crystals of N-n-butyltetrachlorophthalimide. Atoms-In-Molecules analysis of different types of halogen interactions","CrystEngComm","2019","","","","","10.1039/C9CE01120J","","","0.71073","MoKα","","0.0131","0.0131","","","0.016","0.016","","","","","","0.926","","","","has coordinates","217643","2020-10-21","18:00:00",""
"7233416","18.659","0.007","9.1804","0.0008","20.117","0.003","90","","99.31","0.018","90","","3400.6","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 Mo N4 O4 -","- C37 H30 Cl2 Mo N4 O4 -","- C148 H120 Cl8 Mo4 N16 O16 -","4","1","","Kia, Reza; Hosseini, Mahsa; Abdolrahimi, Amin; Mahmoudi, Melika","Intermolecular C‒H⋯O and n →π* and short intramolecular σ →π* interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: structural and computational studies","CrystEngComm","2019","21","35","5222","","10.1039/C9CE01005J","","","0.71073","MoKα","","0.0977","0.0713","","","0.1607","0.1777","","","","","","1.06","","","","has coordinates","223703","2020-10-21","18:00:00",""
"7233417","8.5132","0.0002","16.183","0.0003","18.9865","0.0004","90","","97.818","0.002","90","","2591.44","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone acetonitrile hemisolvate","","- C26 H27 N5 O4 S2 -","- C26 H27 N5 O4 S2 -","- C104 H108 N20 O16 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0393","","","0.0975","0.1056","","","","","","1.071","","","","has coordinates","223699","2020-10-21","18:00:00",""
"7233418","8.4167","0.0002","16.3415","0.0003","19.1383","0.0004","90","","95.832","0.002","90","","2618.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone nitromethane hemisolvate","","- C25 H27 N5 O6 S2 -","- C25 H27 N5 O6 S2 -","- C100 H108 N20 O24 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","1.54178","CuKα","K-L~3~","0.05","0.0491","","","0.1269","0.1276","","","","","","1.107","","","","has coordinates","223699","2020-10-21","18:00:00",""
"7233420","18.5382","0.0005","18.5382","0.0005","6.7599","0.0002","90","","90","","120","","2011.9","0.1","173","","173","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C60 H66 Cu6 N6 O30 -","6","0.5","","McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.","Synthesis and structural characterisation of the copper MOF: STAM-NMe2","CrystEngComm","2019","21","36","5387","","10.1039/C9CE01035A","","x-ray","0.71073","MoKα","","0.0565","0.0367","","","0.0941","0.0992","","","","","","1.124","","","","has coordinates","223701","2020-10-21","18:00:00",""
"7233421","9.2213","0.0016","13.783","0.002","5.0802","0.0008","90","","90","","90","","645.68","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-amino-3-chloro-2,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C20 H8 Cl4 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0582","0.0467","","","0.1413","0.1492","","","","","","0.965","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233422","15.0718","0.0007","13.6626","0.0005","7.0649","0.0003","90","","92.519","0.002","90","","1453.4","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3,5-dichloro-2,6-difluoropyridine","","- C5 H2 Cl2 F2 N2 -","- C5 H2 Cl2 F2 N2 -","- C40 H16 Cl16 F16 N16 -","8","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0555","0.0424","","","0.1192","0.1338","","","","","","0.972","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233423","3.6538","0.0003","7.6296","0.0008","20.158","0.002","90","","91.323","0.004","90","","561.8","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3,5,6-trifluoropyridine","","- C5 H3 F3 N2 -","- C5 H3 F3 N2 -","- C20 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0619","0.0516","","","0.1329","0.1391","","","","","","1.023","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233424","5.0807","0.0005","7.6319","0.0007","8.5518","0.0009","77.722","0.004","89.064","0.005","87.753","0.004","323.75","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C10 H4 Cl2 F6 N4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0412","0.0303","","","0.0679","0.0758","","","","","","0.988","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233425","12.6301","0.0005","8.1303","0.0003","15.8162","0.0006","90","","106.549","0.002","90","","1556.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5,7-difluoroquinoline 18-crown-6, associate 2:1","","- C30 H36 F4 N4 O6 -","- C30 H36 F4 N4 O6 -","- C60 H72 F8 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0532","0.0404","","","0.1088","0.1224","","","","","","0.994","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233426","15.8794","0.0006","13.2887","0.0006","11.502","0.0004","90","","98.93","0.002","90","","2397.69","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C52 H52 F6 N6 O6 -","- C52 H52 F6 N6 O6 -","- C104 H104 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0633","0.0445","","","0.1149","0.1398","","","","","","0.997","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233427","8.519","0.0008","12.8724","0.0013","15.611","0.0017","110.573","0.004","98.064","0.004","90.097","0.004","1584.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine","","- C20 H14 F3 N3 -","- C20 H14 F3 N3 -","- C80 H56 F12 N12 -","4","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.1526","0.0978","","","0.2388","0.2623","","","","","","0.913","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233428","19.2435","0.0008","9.9058","0.0004","17.6406","0.0008","90","","119.63","0.002","90","","2923","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3,5-dichloro-2,6-difluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl4 F4 N4 O6 -","- C22 H28 Cl4 F4 N4 O6 -","- C88 H112 Cl16 F16 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0665","0.0474","","","0.1205","0.1348","","","","","","0.989","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233429","22.3524","0.0011","8.0294","0.0003","16.3762","0.0008","90","","109.214","0.002","90","","2775.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0664","0.0435","","","0.1298","0.1627","","","","","","1.028","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233430","19.1536","0.001","9.583","0.0005","17.3666","0.0014","90","","118.714","0.002","90","","2795.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3-chloro-2,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0634","0.0505","","","0.1389","0.1513","","","","","","1.074","","","","has coordinates,has disorder","223567","2020-10-21","18:00:00",""
"7233431","8.722","0.002","16.464","0.004","9.5","0.002","90","","100.139","0.009","90","","1342.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H30 F6 N4 O6 -","- C22 H30 F6 N4 O6 -","- C44 H60 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0885","0.0521","","","0.1306","0.1626","","","","","","1.006","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233432","12.5421","0.0005","9.4386","0.0003","14.5435","0.0006","90","","106.472","0.002","90","","1651","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-amino-2-chloro-5,6,8-trifluoroquinoline 18-crown-6, associate 2:1","","- C30 H32 Cl2 F6 N4 O6 -","- C30 H32 Cl2 F6 N4 O6 -","- C60 H64 Cl4 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0683","0.0519","","","0.1495","0.1726","","","","","","0.956","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233454","11.71","0.002","11.89","0.002","12.71","0.003","95.65","0.03","114.28","0.03","111.22","0.03","1438.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","1","0.5","","Sun, Xiaojuan; Zhang, Jie; Yuan, Xianzhi; Fu, Zhiyong","A silicotungstate-based copper‒viologen hybrid photocatalytic compound for efficient degradation of organic dyes under visible light","CrystEngComm","2019","21","37","5563","","10.1039/C9CE01075K","","","0.71073","MoKα","","0.1169","0.0992","","","0.2369","0.256","","","","","","1.053","","","","has coordinates","223498","2020-10-21","18:00:00",""
"7233455","9.337","0.0005","4.60528","0.00024","11.4184","0.0006","90","","82.134","0.005","90","","486.37","0.04","295","","295","","0.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1376","","1.12","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233456","9.3394","0.0007","4.57648","0.0003","11.3816","0.0007","90","","82.16","0.006","90","","481.92","0.06","295","","295","","0.36","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1442","","0.96","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233457","9.485","0.0005","3.70468","0.00011","12.9889","0.0007","90","","77.632","0.004","90","","445.82","0.04","295","","295","","0.9","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0905","","1.593","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233458","9.4444","0.0005","3.46902","0.00011","13.1315","0.0007","90","","77.318","0.004","90","","419.73","0.03","295","","295","","2.25","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1113","","1.03","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233459","9.4568","0.0004","3.51779","0.00009","13.1178","0.0006","90","","77.346","0.004","90","","425.79","0.03","295","","295","","1.87","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0863","","1.824","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233460","9.4526","0.0005","3.49778","0.00011","13.1229","0.0008","90","","77.341","0.005","90","","423.34","0.04","295","","295","","2.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1134","","1.136","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233461","9.338","0.0006","4.59377","0.00029","11.4034","0.0007","90","","82.154","0.006","90","","484.59","0.05","295","","295","","0.26","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.158","","0.934","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233462","9.3429","0.0005","4.55499","0.00024","11.3567","0.0006","90","","82.183","0.005","90","","478.81","0.04","295","","295","","0.5","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1224","","1.146","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233463","9.4344","0.0005","3.44007","0.0001","13.1345","0.0007","90","","77.317","0.004","90","","415.88","0.03","295","","295","","2.53","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0969","","1.069","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233464","9.4644","0.0005","3.5503","0.00011","13.1017","0.0007","90","","77.388","0.004","90","","429.61","0.04","295","","295","","1.63","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0949","","1","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233465","9.4768","0.0005","3.61125","0.00013","13.0677","0.0008","90","","77.463","0.005","90","","436.55","0.04","295","","295","","1.31","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0907","","1.057","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233466","9.419","0.0005","3.39405","0.0001","13.1379","0.0007","90","","77.31","0.004","90","","409.74","0.03","295","","295","","3.04","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.077","","1.126","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233467","9.4251","0.0005","3.41438","0.0001","13.1382","0.0007","90","","77.309","0.004","90","","412.47","0.03","295","","295","","2.81","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0799","","1.009","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233468","9.4033","0.0005","3.35415","0.0001","13.132","0.0007","90","","77.321","0.005","90","","404.08","0.03","295","","295","","3.57","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0836","","1.062","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233469","9.4113","0.0005","3.37412","0.0001","13.1358","0.0007","90","","77.317","0.004","90","","406.95","0.03","295","","295","","3.28","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.089","","1.008","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233470","9.4872","0.0007","3.81402","0.00019","12.8589","0.001","90","","77.936","0.007","90","","455.02","0.06","295","","295","","0.62","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1509","","1.495","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233471","9.3926","0.0005","3.33285","0.0001","13.1269","0.0007","90","","77.329","0.005","90","","400.92","0.03","295","","295","","3.89","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0904","","1.02","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233472","9.3308","0.0008","4.6415","0.0004","11.4721","0.001","90","","82.069","0.006","90","","492.09","0.07","295","","295","","0","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1352","","1.318","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233473","9.3332","0.0008","4.6196","0.0004","11.4456","0.0009","90","","82.101","0.007","90","","488.8","0.07","295","","295","","0.1","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1775","","1.0075","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233474","13.2953","0.0004","8.1752","0.0003","17.7914","0.0006","90","","96.999","0.002","90","","1919.37","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0617","0.0422","","","0.1262","0.1439","","","","","","0.9605","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233475","28.9199","0.0009","7.3899","0.0002","18.0028","0.0006","90","","116.427","0.002","90","","3445.42","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C168 H144 Cl8 N8 O32 -","8","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.057","0.0406","","","0.1051","0.1155","","","","","","1.028","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233476","6.8891","0.0002","20.9101","0.0007","30.2189","0.0011","90","","90","","90","","4353.1","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl N O8.5 -","- C21 H27 Cl N O8.5 -","- C168 H216 Cl8 N8 O68 -","8","2","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0798","0.0471","","","0.0942","0.1084","","","","","","1.007","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233523","6.6213","0.0013","15.81","0.003","16.409","0.003","90","","90","","90","","1717.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C72 H80 F4 N12 O16 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1264","0.0784","","","0.1408","0.1596","","","","","","1.047","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233524","17.353","0.004","6.784","0.003","18.68","0.006","90","","105.31","0.03","90","","2121","1.3","113","2","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H26 F N3 O6 -","- C20 H23 F N3 O6 -","- C80 H92 F4 N12 O24 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.0983","0.0888","","","0.2529","0.2662","","","","","","1.049","","","","has coordinates,has disorder","223511","2020-10-21","18:00:00",""
"7233525","26.067","0.005","9.2924","0.0019","34.377","0.007","90","","94.22","0.03","90","","8304","3","128.15","","128.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 F4 N12 O16 -","- C72 H80 F4 N12 O16 -","- C288 H320 F16 N48 O64 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1454","0.1109","","","0.2776","0.3122","","","","","","1.031","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233526","30.9411","0.0004","5.05534","0.00007","5.9564","0.00008","90","","90","","90","","931.69","0.02","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","Cadmium 3-fluorobenzylphosphonate","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0142","2.70733","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233527","6.00417","0.00009","32.3664","0.0005","5.10565","0.00008","90","","93.183","0.001","90","","990.67","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 1 21/n 1","-P 2yn","14","","Cadmium 2,3,4,5,6-pentafluorobenzylphosphonate","","- C7 H4 Cd F5 O4 P -","- C7 H4 Cd F5 O4 P -","- C28 H16 Cd4 F20 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0091","1.57337","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233528","30.6727","0.0005","5.93558","0.00009","5.0541","0.00008","90","","90","","90","","920.15","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0198","3.42785","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233529","30.388656","","5.045593","","5.93953","","90","","90","","90","","910.701","","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd O4 P -","- C7 H9 Cd O4 P -","- C28 H36 Cd4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0339","8.08334","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233530","7.792","0.0007","14.2386","0.0013","7.9049","0.0007","90","","94.487","0.001","90","","874.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H32 N4 O6 -","- C12 H32 N4 O6 -","- C24 H64 N8 O12 -","2","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0365","0.0317","","","0.0823","0.0858","","","","","","0.968","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233531","16.7939","0.0004","17.0018","0.0005","15.0341","0.0003","90","","90","","90","","4292.63","0.18","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H42.8 N2.8 O2.1 -","- C18 H42.804 N2.804 O2.098 -","- C144 H342.432 N22.432 O16.784 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0548","0.0481","","","0.1236","0.1295","","","","","","1.028","","","","has coordinates,has disorder","223727","2020-10-21","18:00:00",""
"7233532","16.8256","0.0005","17.1025","0.0005","15.0186","0.0005","90","","90","","90","","4321.7","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H43 N3 O2 -","- C18 H43 N3 O2 -","- C144 H344 N24 O16 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0521","0.0447","","","0.1163","0.1218","","","","","","1.026","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233566","10.9409","0.0012","15.4091","0.0017","23.902","0.003","91.577","0.001","100.609","0.001","110.048","0.001","3702.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H160 Cd3 Cl12 La2 N48 O52 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.073","0.0622","","","0.1911","0.2036","","","","","","1.007","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233567","12.023","0.006","12.837","0.006","13.44","0.006","79.253","0.006","64.689","0.007","81.772","0.007","1837.6","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl10 N24 Nd2 O28 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1749","0.1368","","","0.4014","0.4402","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233568","12.298","0.002","15.48","0.003","18.54","0.004","81.044","0.003","87.516","0.003","87.398","0.003","3480.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Ho N24 O25 -","- C44 H52 Cd Cl5 Ho N24 O25 -","- C88 H104 Cd2 Cl10 Ho2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0921","0.0654","","","0.169","0.1914","","","","","","1.008","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233569","11.786","0.004","12.205","0.004","16.776","0.008","109.814","0.007","101.083","0.007","104.474","0.005","2094.2","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Ce2 Cl8 N26 O38 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0443","0.04","","","0.1254","0.1289","","","","","","1.006","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233570","15.4032","0.0016","17.4427","0.0018","18.5949","0.0019","112.95","0.001","100.91","0.001","97.578","0.002","4398.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H204 Cd2 Cl16 N48 O74 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.074","0.0518","","","0.1444","0.1568","","","","","","1.004","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233571","20.532","0.01","15.111","0.007","17.84","0.009","90","","122.546","0.005","90","","4666","4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H108 Cd2 Cl12 Ho2 N24 O38 -","- C56 H62 Cd2 Cl12 Ho2 N24 O26 -","- C112 H124 Cd4 Cl24 Ho4 N48 O52 -","2","0.25","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1074","0.0733","","","0.1928","0.2162","","","","","","1.009","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233572","12.3061","0.0013","15.4709","0.0017","18.522","0.002","81.042","0.002","87.538","0.001","87.38","0.002","3477.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H80 Cd Cl5 Dy N24 O26 -","- C44 H52 Cd Cl5 Dy N24 O26 -","- C88 H104 Cd2 Cl10 Dy2 N48 O52 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0888","0.0598","","","0.1523","0.1745","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233573","12.3443","0.0015","15.456","0.0019","18.558","0.002","81.136","0.002","87.379","0.002","87.409","0.002","3492.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Gd N24 O25 -","- C44 H52 Cd Cl5 Gd N24 O25 -","- C88 H104 Cd2 Cl10 Gd2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.055","0.0468","","","0.1345","0.1432","","","","","","1.002","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233574","15.3462","0.0015","17.3743","0.0017","18.4992","0.0018","112.402","0.001","100.568","0.001","98.219","0.001","4358.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H220 Cd2 Cl16 Eu4 N48 O82 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0504","0.0447","","","0.1532","0.1617","","","","","","1.007","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233575","12.438","0.004","15.506","0.005","18.489","0.006","80.79","0.004","87.654","0.004","87.463","0.004","3514","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cd Cl4 N25 O26 Sm -","- C44 H52 Cd Cl4 N25 O26 Sm -","- C88 H104 Cd2 Cl8 N50 O52 Sm2 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0962","0.0674","","","0.1931","0.2264","","","","","","1.013","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233613","10.0281","0.0006","10.0845","0.0005","13.1425","0.0007","75.763","0.005","68.657","0.005","65.46","0.005","1119.04","0.12","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H22 Ni3 O20 -","- C36 H44 Ni6 O40 -","2","1","","Zhai, Zhi-Min; Yang, Xiao-Gang; Yang, Zhao-Tong; Lu, Xiao-Min; Ma, Lu-Fang","Trinuclear Ni(ii) oriented highly dense packing and π-conjugation degree of metal‒organic frameworks for efficient water oxidation","CrystEngComm","2019","21","39","5862","","10.1039/C9CE00944B","","x-ray","0.71073","MoKα","","0.0568","0.0507","","","0.1367","0.1451","","","","","","1.049","","","","has coordinates","223569","2020-10-21","18:00:00",""
"7233614","6.96425","0.00019","7.8107","0.0002","23.7211","0.0007","90","","98.44","0.003","90","","1276.35","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O5 -","- C11 H16 N2 O5 -","- C44 H64 N8 O20 -","4","1","","Croitor, Lilia; Petric, Mihaela F.; Szerb, Elisabeta I.; Vlase, Gabriela; Bourosh, Paulina N.; Chumakov, Yurii M.; Crisan, Manuela E.","The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid‒base multicomponent systems","CrystEngComm","2019","21","40","6038","","10.1039/C9CE01239G","","","0.71073","MoKα","","0.061","0.0485","","","0.142","0.1548","","","","","","1.007","","","","has coordinates","223627","2020-10-21","18:00:00",""
"7233619","4.8518","0.0003","8.1747","0.0005","6.8142","0.0004","90","","105.468","0.001","90","","260.48","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H2 O6 P2 Ti -","- H2 O6 P2 Ti -","- H4 O12 P4 Ti2 -","2","0.5","","Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang","Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework","CrystEngComm","2019","21","39","5867","","10.1039/C9CE01007F","","","0.71073","MoKα","","0.0249","0.0233","","","0.0672","0.0681","","","","","","1.16","","","","has coordinates","223565","2020-10-21","18:00:00",""
"7233657","18.4224","0.0008","16.1333","0.0009","21.6118","0.0012","90","","103.12","0.005","90","","6255.7","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 Gd N O7 S2 -","- C28 H22 F6 Gd N O7 S2 -","- C224 H176 F48 Gd8 N8 O56 S16 -","8","1","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","Improved luminescence properties by the self-assembly of lanthanide compounds with a 1-D chain structure for the sensing of CH3COOH and toxic HS− anions","CrystEngComm","2019","21","39","5965","","10.1039/C9CE01077G","","","0.71073","MoKα","","0.0882","0.0602","","","0.1442","0.1567","","","","","","1.114","","","","has coordinates","223571","2020-10-21","18:00:00",""
"7233697","11.9203","0.0007","19.9475","0.0011","7.7761","0.0004","90","","103.949","0.003","90","","1794.48","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination compound","","","- C13 H12 N6 O6 Pb S -","- C13 H12 N6 O6 Pb S -","- C52 H48 N24 O24 Pb4 S4 -","4","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0252","0.0214","","","0.0504","0.0523","","","","","","1.025","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233698","37.25","0.005","5.0731","0.0006","22.594","0.003","90","","110.797","0.014","90","","3991.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination Compound","","","- C19 H15 N5 O3 Pb S -","- C19 H15 N5 O3 Pb S -","- C152 H120 N40 O24 Pb8 S8 -","8","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0378","0.0287","","","0.0555","0.0582","","","","","","1.042","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233723","10.1159","0.0005","13.148","0.0005","16.2911","0.0006","80.81","0.003","84.854","0.004","68.526","0.004","1989.34","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Schaniel, Dominik; Casaretto, Nicolas; Bendeif, El-Eulmi; Woike, Theo; Gallien, Anna K. E.; Klüfers, Peter; Kutniewska, Sylwia E.; Kamiński, Radosław; Bouchez, Guillaume; Boukheddaden, Kamel; Pillet, Sébastien","Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds","CrystEngComm","2019","21","38","5804","","10.1039/C9CE01119F","","","0.71073","MoKα","","0.0425","0.0337","","","0.0719","0.077","","","","","","1.083","","","","has coordinates,has disorder","223728","2020-10-21","18:00:00",""
"7233724","3.789","0.0002","12.3018","0.0009","13.8689","0.0009","91.145","0.006","91.064","0.005","92.337","0.005","645.66","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-methylpyridinium tetrabromosemiquinonate acetone solvate","","- C21 H9 Br8 N2 O5 -","- C21 H9 Br8 N2 O5 -","- C21 H9 Br8 N2 O5 -","1","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0373","0.0344","","","","0.094","","","","","","1.062","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233725","7.17","0.0001","15.3896","0.0003","11.7282","0.0002","90","","101.627","0.002","90","","1267.57","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl4 N2 O2 -","- C11 H7 Cl4 N2 O2 -","- C44 H28 Cl16 N8 O8 -","4","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0466","0.0433","","","","0.1279","","","","","","1.071","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233726","7.1294","0.0004","9.5042","0.0008","11.0035","0.0009","106.258","0.007","91.624","0.006","106.085","0.006","683.2","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C24 H18 Cl8 N4 O4 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.056","0.0521","","","","0.1619","","","","","","1.072","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233727","18.7356","0.0012","7.1485","0.0008","21.1647","0.0018","90","","102.602","0.008","90","","2766.3","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C96 H72 Cl32 N16 O16 -","8","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0871","0.0683","","","","0.2296","","","","","","1.101","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233728","9.6014","0.0005","10.0218","0.0006","10.7402","0.0006","66.219","0.005","72.013","0.005","89.522","0.005","891.44","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl6 Cu0 N2 O3 -","- C15 H9 Cl6 N2 O3 -","- C30 H18 Cl12 N4 O6 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0597","0.0574","","","","0.177","","","","","","1.07","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233729","9.5672","0.0005","10.4858","0.0006","18.7361","0.0009","82.1","0.004","77.722","0.004","72.784","0.005","1748.72","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Cl10 N2 O9 -","- C31 H20 Cl10 N2 O9 -","- C62 H40 Cl20 N4 O18 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0742","0.0637","","","","0.1969","","","","","","1.054","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233730","18.5984","0.0005","18.6075","0.0005","3.9545","0.0001","90","","90","","90","","1368.53","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H7 Br4 N2 O2 -","- C11 H7 Br4 N2 O2 -","- C44 H28 Br16 N8 O8 -","4","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0254","0.0243","","","","0.0641","","","","","","1.049","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233753","10.0899","0.0007","7.744","0.0005","13.7323","0.0009","90","","110.922","0.002","90","","1002.24","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C16 H16 N40 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.043","0.0367","","","0.0942","0.0978","","","","","","1.047","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233754","18.7451","0.0009","7.3716","0.0004","14.7077","0.0006","90","","110.501","0.001","90","","1903.61","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0597","0.0479","","","0.1314","0.1393","","","","","","1.038","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233755","9.0312","0.0004","18.6286","0.0007","6.5567","0.0003","90","","96.737","0.002","90","","1095.47","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N11 O4 -","- C4 H11 N11 O4 -","- C16 H44 N44 O16 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0634","0.0495","","","0.1327","0.1411","","","","","","1.062","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233756","14.26","0.002","4.9236","0.0007","17.854","0.002","90","","103.382","0.004","90","","1219.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.069","0.044","","","0.1081","0.1201","","","","","","1.041","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233757","14.9662","0.0007","13.9304","0.0008","13.3293","0.0005","90","","96.927","0.004","90","","2758.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N4 O4 Zn -","- C14 H8 N4 O4 Zn -","- C112 H64 N32 O32 Zn8 -","8","1","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.7107","MoKα","","0.0456","0.0349","","","0.0794","0.085","","","","","","1.049","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233758","4.913","0.001","13.234","0.003","10.065","0.002","90","","98.83","0.03","90","","646.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd N4 O4 -","- C14 H8 Cd N4 O4 -","- C28 H16 Cd2 N8 O8 -","2","0.5","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.71073","MoKα","","0.0218","0.0187","","","0.0424","0.0436","","","","","","1.131","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233759","14.251","0.002","13.399","0.002","14.6369","0.0019","90","","93.001","0.011","90","","2791.1","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","0.71073","MoKα","","0.0616","0.0324","","","0.0699","0.074","","","","","","0.827","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233760","13.5518","0.0004","13.9161","0.0004","14.8283","0.0004","90","","90.716","0.003","90","","2796.22","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C64 H40 Cu4 N16 O16 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0734","0.0593","","","0.1684","0.1772","","","","","","1.062","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233761","13.7136","0.0004","13.227","0.0005","15.1795","0.0005","90","","93.415","0.003","90","","2748.52","0.16","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Cu2 N8 O9 -","- C33 H24 Cu2 N8 O9 -","- C66 H48 Cu4 N16 O18 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0593","0.044","","","0.1121","0.1166","","","","","","0.963","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233762","13.8663","0.0004","13.235","0.0004","15.0241","0.0004","90","","93.199","0.002","90","","2752.93","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0725","0.0556","","","0.1906","0.1966","","","","","","1.122","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233763","14.5493","0.0003","11.93948","0.00014","14.1517","0.0003","90","","93.6939","0.0005","90","","2453.2","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C64 H40 Cu4 N16 O20 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","powder diffraction","","1.5406","","","","","","","","","","","5.08","","","","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233815","8.2278","0.0006","9.2785","0.0008","11.296","0.0011","83.923","0.007","78.995","0.007","84.363","0.006","839.05","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Ag N2 O2 -","- C20 H14 Ag N2 O2 -","- C40 H28 Ag2 N4 O4 -","2","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0434","0.0377","","","0.0874","0.0907","","","","","","1.061","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233816","13.8004","0.0006","17.5129","0.0006","18.766","0.0008","67.675","0.004","76.215","0.004","68.734","0.004","3883.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","1","0.5","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.1123","0.0688","","","0.1516","0.1681","","","","","","1.024","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233817","18.1253","0.0007","19.3124","0.001","10.47","0.0004","90","","112.624","0.001","90","","3382.9","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H34 Ag2 N4 O8 -","- C36 H34 Ag2 N4 O8 -","- C144 H136 Ag8 N16 O32 -","4","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0478","0.0386","","","0.0848","0.0907","","","","","","1.041","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233818","12.357","0.002","13.694","0.002","14.489","0.002","90","","99.674","0.003","90","","2416.9","0.6","298.2","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd N2 O7 -","- C17 H14 Cd N2 O7 -","- C68 H56 Cd4 N8 O28 -","4","1","","Liu, Qian-Qian; Yue, Ke-Fen; Weng, Xian-Jun; Wang, Yao-Yu","Luminescence sensing and supercapacitor performances of a new (3,3)-connected Cd-MOF","CrystEngComm","2019","21","41","6186","","10.1039/C9CE01087D","","","0.71073","MoKα","","0.0575","0.0452","","","0.1279","0.1348","","","","","","1.037","","","","has coordinates","223506","2020-10-21","18:00:00",""
"7233842","7.909","0.003","17.113","0.006","8.049","0.003","90","","90","","90","","1089.4","0.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C H8 Cl N3 O -","- C H8 Cl N3 O -","- C8 H64 Cl8 N24 O8 -","8","1","","Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie","CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups","CrystEngComm","2019","21","40","6072","","10.1039/C9CE01350D","","","0.71073","MoKα","","","0.0448","","","0.1213","0.1396","","","","","","1.049","","","","has coordinates","223630","2020-10-21","18:00:00",""
"7233844","8.3805","0.0017","4.9153","0.001","23.694","0.005","90","","98.21","0.03","90","","966","0.4","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.1729","0.1342","","","0.2124","0.2317","","","","","","1.237","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233845","9.916","0.002","14.765","0.003","11.093","0.002","90","","90","","90","","1624.1","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cd N10 O10 -","- C5 H16 Cd N10 O10 -","- C20 H64 Cd4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0805","0.0684","","","0.101","0.1054","","","","","","1.289","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233846","9.826","0.002","14.671","0.003","10.946","0.002","90","","90","","90","","1577.9","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Co N10 O10 -","- C5 H16 Co N10 O10 -","- C20 H64 Co4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0396","0.0385","","","0.0937","0.0945","","","","","","1.069","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233847","9.775","0.002","14.662","0.003","11.057","0.002","90","","90","","90","","1584.7","0.5","163","2","163.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 O10 Zn -","- C5 H16 N10 O10 Zn -","- C20 H64 N40 O40 Zn4 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0484","0.0437","","","0.0971","0.1003","","","","","","1.121","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233848","9.6991","0.0019","14.573","0.003","11.082","0.002","90","","90","","90","","1566.4","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 Ni O10 -","- C5 H16 N10 Ni O10 -","- C20 H64 N40 Ni4 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0427","0.04","","","0.0923","0.094","","","","","","1.107","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233849","8.4366","0.0017","9.839","0.002","20.798","0.004","90","","90","","90","","1726.4","0.6","163","2","163.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H18 Fe N10 O13 -","- C5 H18 Fe N10 O13 -","- C20 H72 Fe4 N40 O52 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0395","0.0368","","","0.0864","0.0883","","","","","","1.103","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233875","9.874","0.005","17.314","0.007","19.651","0.014","90","","96.91","0.02","90","","3335","3","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl N3 Ni O6 Pb S2 -","- C26 H40 Cl N3 Ni O6 Pb S2 -","- C104 H160 Cl4 N12 Ni4 O24 Pb4 S8 -","4","1","","MIRDYA, SAIKAT; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a tetranuclear supramolecule via non-covalent Pb•••Cl tetrel bonding interaction in a hemidirected lead(II) complex with a nickel(II) containing metaloligand","CrystEngComm","2019","","","","","10.1039/C9CE01283D","","","0.71073","MoKα","","0.1159","0.0824","","","0.2367","0.2836","","","","","","1.069","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7233876","8.4912","0.0011","12.7255","0.0016","16.048","0.002","98.133","0.001","91.069","0.001","99.479","0.001","1691.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O6 -","- C40 H30 Cd N4 O6 -","- C80 H60 Cd2 N8 O12 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","","0.71073","MoKα","","0.0422","0.0322","","","0.0903","0.1068","","","","","","1.04","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233877","11.1521","0.0004","12.0285","0.0005","23.5503","0.0007","77.262","0.003","76.994","0.003","76.727","0.003","2947.99","0.19","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 N10 O12 Zn2 -","- C66 H50 N10 O12 Zn2 -","- C132 H100 N20 O24 Zn4 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0395","0.0332","","","0.0872","0.0928","","","","","","1.023","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233878","19.8075","0.0006","6.2207","0.0002","20.4492","0.0006","90","","98.035","0.003","90","","2494.94","0.13","236","50","236","50","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H25 Cd N2 O7 -","- C27 H25 Cd N2 O7 -","- C108 H100 Cd4 N8 O28 -","4","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0337","0.029","","","0.0735","0.0772","","","","","","1.049","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233910","14.756","0.003","11.5471","0.0019","18.635","0.003","90","","92.357","0.004","90","","3172.5","1","133","2","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0871","0.0409","","","0.076","0.0881","","","","","","0.953","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233911","11.586","0.002","11.339","0.002","12.896","0.003","90","","114.59","0.03","90","","1540.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0667","0.0496","","","0.14","0.1513","","","","","","1.053","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233912","6.9355","0.0014","9.42","0.0019","13.62","0.003","104.22","0.03","98.12","0.03","93.71","0.03","849.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N2 O2 -","- C18 H14 Cl2 N2 O2 -","- C36 H28 Cl4 N4 O4 -","2","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.1433","0.0949","","","0.2673","0.2957","","","","","","1.085","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233913","9.7298","0.0019","10.184","0.002","12.954","0.003","107.11","0.03","104.35","0.03","106.29","0.03","1098.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl2 N3 O2 -","- C23 H21 Cl2 N3 O2 -","- C46 H42 Cl4 N6 O4 -","2","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0982","0.0808","","","0.2479","0.2656","","","","","","1.106","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233914","12.284","0.003","20.468","0.004","7.4983","0.0015","90","","96.21","0.03","90","","1874.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C80 H64 Cl8 N8 O8 -","4","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.1253","0.066","","","0.1016","0.1243","","","","","","1.054","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233915","37.821","0.009","5.6762","0.0013","18.699","0.005","90","","104.084","0.005","90","","3893.6","1.7","133","2","133.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H18 Cl2 N2 O2 S -","- C20 H18 Cl2 N2 O2 S -","- C160 H144 Cl16 N16 O16 S8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0299","0.0273","","","0.0674","0.0687","","","","","","1.03","","","","has coordinates,has disorder","218405","2020-10-21","18:00:00",""
"7233916","19.6861","0.0019","4.7958","0.0004","25.169","0.002","90","","101.404","0.009","90","","2329.3","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Hg N4 O2 -","- C24 H20 Cl2 Hg N4 O2 -","- C96 H80 Cl8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.131","0.098","","","0.2655","0.2862","","","","","","1.066","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233917","17.5323","0.0006","3.8438","0.0001","34.5553","0.001","90","","100.079","0.003","90","","2292.77","0.12","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 Hg N4 O3 -","- C24 H22 Cl2 Hg N4 O3 -","- C96 H88 Cl8 Hg4 N16 O12 -","4","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0559","0.0563","","","","","","1.128","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233918","4.931","0.00014","17.3546","0.0004","28.863","0.0008","90","","91.909","0.002","90","","2468.6","0.11","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 Hg N4 O2 -","- C24 H20 Br2 Hg N4 O2 -","- C96 H80 Br8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.104","0.0833","","","0.1248","0.1302","","","","","","1.361","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233919","8.9772","0.0004","31.7959","0.0011","4.7115","0.0002","90","","90","","90","","1344.84","0.09","130","1","130","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Br2 Hg N4 O4 -","- C26 H28 Br2 Hg N4 O4 -","- C52 H56 Br4 Hg2 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0432","0.0383","","","0.097","0.1011","","","","","","1.077","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233920","9.1791","0.0006","32.206","0.002","4.7036","0.0003","90","","90","","90","","1390.49","0.15","100","1","100","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Hg I2 N4 O4 -","- C26 H28 Hg I2 N4 O4 -","- C52 H56 Hg2 I4 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0551","0.0451","","","0.0985","0.1041","","","","","","1.109","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233967","12.9559","0.0011","13.1179","0.0011","13.9892","0.0012","84.578","0.001","89.75","0.001","64.391","0.001","2132.6","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","1","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0491","0.038","","","0.0932","0.0993","","","","","","1.032","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233968","22.416","0.005","13.164","0.003","22.722","0.005","90","","105.03","0.03","90","","6476","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Cu3 Mo8 N8 O45 P V6 -","- C36 H40 Cu3 Mo8 N8 O45 P V6 -","- C144 H160 Cu12 Mo32 N32 O180 P4 V24 -","4","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0565","0.049","","","0.1305","0.1353","","","","","","1.074","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233969","17.1154","0.0005","19.6453","0.0006","27.0729","0.0006","90","","100.26","0.002","90","","8957.4","0.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Cl Cu4 Mo9 N12 O50 P V5 -","- C62 H48 Cl Cu4 Mo9 N12 O50 P V5 -","- C248 H192 Cl4 Cu16 Mo36 N48 O200 P4 V20 -","4","1","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.1099","0.0477","","","0.111","0.1447","","","","","","1.029","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233970","9.9572","0.0002","26.9337","0.0007","13.2241","0.0003","90","","101.326","0.001","90","","3477.43","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H50 Mn2 N8 O20 -","- C80 H50 Mn2 N8 O20 -","- C160 H100 Mn4 N16 O40 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0656","0.042","","","0.1034","0.1157","","","","","","1.023","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233971","9.4735","0.0003","10.9015","0.0003","11.9884","0.0004","103.023","0.001","100.467","0.001","105.787","0.001","1121.1","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N2 O9 Zn -","- C26 H15 N2 O9 Zn -","- C52 H30 N4 O18 Zn2 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0348","0.0307","","","0.0797","0.0826","","","","","","1.072","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233972","11.2403","0.0004","11.5984","0.0005","11.8532","0.0005","90.988","0.001","93.671","0.001","100.685","0.001","1514.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cu2 N2 O15 -","- C28 H20 Cu2 N2 O15 -","- C56 H40 Cu4 N4 O30 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0566","0.0385","","","0.0968","0.1095","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233973","11.8519","0.0003","11.7713","0.0003","23.898","0.0005","90","","91.938","0.001","90","","3332.16","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H44 Cd4 N8 O19 -","- C80 H44 Cd4 N8 O19 -","- C160 H88 Cd8 N16 O38 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0386","0.0287","","","0.0696","0.0746","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233974","27.576","0.003","52.262","0.005","7.423","0.0007","90","","90","","90","","10697.9","1.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Co2 N2 O10 -","- C28 H20 Co2 N2 O10 -","- C448 H320 Co32 N32 O160 -","16","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0819","0.0547","","","0.1307","0.1443","","","","","","1.016","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233975","13.6058","0.0004","24.4866","0.0007","11.6606","0.0003","90","","90","","90","","3884.84","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H72 N8 Ni4 O31 -","- C80 H72 N8 Ni4 O31 -","- C160 H144 N16 Ni8 O62 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0407","0.0312","","","0.0678","0.0715","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233976","10.322","0.0006","11.3221","0.0006","19.1686","0.001","100.686","0.002","100.863","0.002","102.414","0.002","2088.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N4 Ni2 O12 -","- C40 H36 N4 Ni2 O12 -","- C80 H72 N8 Ni4 O24 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0533","0.0383","","","0.0911","0.0975","","","","","","1.042","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233977","31.2268","0.0009","7.9018","0.0002","21.6843","0.0007","90","","100.807","0.001","90","","5255.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Cd N4 O25 -","- C52 H44 Cd N4 O25 -","- C208 H176 Cd4 N16 O100 -","4","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0415","0.0331","","","0.0794","0.0842","","","","","","1.032","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233978","9.431","0.004","13.316","0.004","18.54","0.007","90","","91.891","0.013","90","","2327","1.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd Cl N4 O4 -","- C25 H20 Cd Cl N4 O4 -","- C100 H80 Cd4 Cl4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0312","0.0293","","","0.074","0.0754","","","","","","1.099","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233979","6.972","0.003","17.311","0.009","17.837","0.008","90","","93.913","0.014","90","","2147.8","1.7","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd N4 O4 -","- C25 H19 Cd N4 O4 -","- C100 H76 Cd4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0522","0.0425","","","0.0859","0.0892","","","","","","1.107","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233980","12.467","0.0001","16.3496","0.0001","21.3494","0.0001","90","","90","","90","","4351.66","0.05","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Cd N6 O12 -","- C40 H46 Cd N6 O12 -","- C160 H184 Cd4 N24 O48 -","4","0.5","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","x-ray","0.7","synchrotron","","0.0608","0.0596","","","0.1896","0.1914","","","","","","1.051","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233981","15.2047","0.0006","18.4315","0.0006","28.6082","0.0011","101.926","0.003","96.44","0.003","98.138","0.003","7682.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C97.25 H99.25 N12.5 O18.96 Zn4 -","- C97.25 H99.25 N12.5 O18.968 Zn4 -","- C194.5 H198.5 N25 O37.936 Zn8 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.1291","0.1061","","","0.3141","0.3374","","","","","","1.247","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233982","11.593","0.0006","45.238","0.002","23.3964","0.0011","90","","91.12","0.002","90","","12267.8","1","120","2","120.24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H96 N12 O19 Zn4 -","- C97 H96 N12 O19 Zn4 -","- C388 H384 N48 O76 Zn16 -","4","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.71073","MoKα","","0.0839","0.0611","","","0.182","0.1985","","","","","","1.062","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233983","19.551","0.001","24.348","0.002","19.579","0.001","90","","98.16","0.02","90","","9225.8","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H84 N8 O30 Zr6 -","- C104 H84 N8 O30 Zr6 -","- C208 H168 N16 O60 Zr12 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.3108","0.1472","","","0.3325","0.4094","","","","","","1.077","","","","has coordinates","223559","2020-10-21","18:00:00",""
"7233984","8.6867","0.0004","15.1019","0.0006","9.9125","0.0005","90","","105.478","0.005","90","","1253.22","0.1","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C48 H56 O28 -","4","1","","Yang, Jinyue; Hong, Baohong; Wang, Na; Li, Xin; Huang, Xin; Bao, Ying; Xie, Chuang; Hao, Hongxun","Thermodynamics and molecular mechanism of the formation of the cocrystals of p-hydroxybenzoic acid and glutaric acid","CrystEngComm","2019","21","42","6374","","10.1039/C9CE01092K","","x-ray","0.71073","MoKα","","0.0723","0.0486","","","0.1254","0.1402","","","","","","1.044","","","","has coordinates,has disorder","223556","2020-10-21","18:00:00",""
"7234015","24.9038","0.001","33.4493","0.0012","18.3388","0.0007","90","","90","","90","","15276.5","1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C40 H58 Cu2 N6 O17 -","- C22 H10 Cu2 O10 -","- C264 H120 Cu24 O120 -","12","1.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","1.54178","CuKα","","0.047","0.0447","","","0.1253","0.1285","","","","","","1.004","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234016","25.3148","0.0004","25.3148","0.0004","25.3148","0.0004","90","","90","","90","","16222.7","0.4","150","2","150","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C44 H65 Cu2 N7 O18 -","- C23 H12 Cu2 O11 -","- C276 H144 Cu24 O132 -","12","0.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.147","0.1166","","","0.3343","0.3882","","","","","","1.021","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234017","18.5762","0.0005","18.5762","0.0005","23.8042","0.0016","90","","90","","120","","7113.7","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C37 H52 Cu2 N6 O16 -","- C22 H13 Cu2 N O10 -","- C132 H78 Cu12 N6 O60 -","6","0.25","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.1159","0.0941","","","0.3623","0.417","","","","","","1.089","","","","has coordinates,has disorder","218645","2020-10-21","18:00:00",""
"7234018","7.0897","0.0003","8.0981","0.0005","9.2634","0.0005","67.362","0.005","86.126","0.004","82.729","0.004","486.81","0.05","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Nd O9 -","- C8 H7 Nd O9 -","- C16 H14 Nd2 O18 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0197","0.0178","","","0.0413","0.0422","","","","","","1.102","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234019","8.0013","0.0003","9.0019","0.0003","14.3067","0.0005","90","","90","","90","","1030.47","0.06","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Pr -","- C8 H4 Na O9 Pr -","- C32 H16 Na4 O36 Pr4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0444","0.0462","","","","","","1.079","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234020","16.309","0.0005","10.8889","0.0003","17.4148","0.0006","90","","98.031","0.003","90","","3062.31","0.17","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Tm2 -","- C12 H8 O13 Tm2 -","- C96 H64 O104 Tm16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0261","0.0219","","","0.0449","0.0467","","","","","","1.107","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234021","7.9349","0.0004","8.8716","0.0004","14.1611","0.0007","90","","90","","90","","996.87","0.08","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Eu Na O9 -","- C8 H6 Eu Na O9 -","- C32 H24 Eu4 Na4 O36 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0221","","","0.0432","0.0452","","","","","","1.073","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234022","7.9177","0.0005","8.8354","0.0006","14.1274","0.0008","90","","90","","90","","988.3","0.11","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Tb -","- C8 H6 Na O9 Tb -","- C32 H24 Na4 O36 Tb4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0489","0.0506","","","","","","1.086","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234023","7.086","0.0003","7.9756","0.0003","9.2021","0.0003","67.832","0.003","86.055","0.003","82.82","0.003","477.71","0.03","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 O9 Tb -","- C8 H7 O9 Tb -","- C16 H14 O18 Tb2 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0211","0.0203","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234024","11.713","0.0007","7.9655","0.0004","14.7344","0.001","90","","97.8","0.006","90","","1362","0.14","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Er Na O12 -","- C8 H12 Er Na O12 -","- C32 H48 Er4 Na4 O48 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71","MoKα","","0.0529","0.0446","","","0.1172","0.1269","","","","","","1.092","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234025","16.2968","0.0007","10.8916","0.0005","17.3658","0.0007","90","","97.967","0.004","90","","3052.6","0.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Yb2 -","- C12 H8 O13 Yb2 -","- C96 H64 O104 Yb16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0278","0.022","","","0.0482","0.0507","","","","","","1.099","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234026","8.2692","0.0009","13.9397","0.0014","17.5348","0.0019","102.39","0.002","96.824","0.002","99.046","0.002","1925.1","0.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.1365","0.0614","","","0.1101","0.128","","","","","","0.861","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234027","9.2017","0.0008","13.14","0.0011","17.1774","0.0015","100.435","0.002","97.755","0.002","93.142","0.002","2017.2","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.099","0.0569","","","0.1361","0.1505","","","","","","0.956","","","","has coordinates","223537","2020-10-21","18:00:00",""
"7234028","16.702","0.005","29.879","0.005","18.259","0.005","90","","114.563","0.005","90","","8287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H62 Co3 N15 O13 -","- C81 H62 Co3 N15 O13 -","- C324 H248 Co12 N60 O52 -","4","0.5","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0638","0.046","","","0.1171","0.127","","","","","","1.035","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234029","27.306","0.005","8.903","0.005","28.816","0.005","90","","92.788","0.005","90","","6997","4","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H110 Cu4 N22 O24 -","- C148 H110 Cu4 N22 O24 -","- C296 H220 Cu8 N44 O48 -","2","0.25","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0885","0.0527","","","0.1218","0.1379","","","","","","1.014","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234030","5.11465","0.00004","18.0858","0.0002","8.046","0.00005","90","","90","","90","","744.275","0.011","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","Gd1 K1 Mo2 O8","","","- Gd K Mo2 O8 -","- Gd K Mo2 O8 -","- Gd4 K4 Mo8 O32 -","4","0.5","","Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.","Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)","CrystEngComm","2019","21","42","6460","","10.1039/C9CE01244C","powder diffraction","x-ray","1.78892","CoKα","","0.0349","0.0349","","0.0491","0.0491","","","","1.98","","","","","","","has coordinates","223561","2020-10-21","18:00:00",""
"7234031","8.848","0.0012","8.848","0.0012","24.929","0.005","90","","90","","90","","1951.6","0.5","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H11 Cu N O3 -","- C10 H11 Cu N O3 -","- C80 H88 Cu8 N8 O24 -","8","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0278","0.0276","","","0.0777","0.0779","","","","","","1.056","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234032","7.398","0.0015","10.018","0.002","28.689","0.006","90","","90","","90","","2126.2","0.8","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cu2 N2 O7 -","- C20 H24 Cu2 N2 O7 -","- C80 H96 Cu8 N8 O28 -","4","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0314","0.0289","","","0.0813","0.083","","","","","","1.078","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234149","7.73077","0.00013","25.6327","0.0004","5.93311","0.00008","90","","90","","90","","1175.71","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0317","0.0297","","","0.0777","0.0797","","","","","","1.037","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234150","6.7365","0.0001","20.9912","0.0005","8.5808","0.0002","90","","94.757","0.002","90","","1209.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6.67 N1.33 O1.33 -","- C10 H6.66667 N1.33333 O1.33333 -","- C60 H40 N8 O8 -","6","1.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0595","0.0566","","","0.1601","0.1631","","","","","","1.068","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234151","7.7648","0.0001","25.7822","0.0002","5.89423","0.00005","90","","90","","90","","1179.99","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0798","0.0811","","","","","","1.066","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234152","15.21","0.04","8.42","0.02","20.22","0.05","90","","90","","90","","2590","11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","III","1-naphtyl pyridine-2-carboxylate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","","0.71073","MoKα","","0.1096","0.0991","","","0.2867","0.3057","","","","","","1.168","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234153","25.1342","0.0004","25.1342","0.0004","25.1342","0.0004","90","","90","","90","","15878","0.4","296","2","296.15","","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C8 H20 Cl1.33 Co2.67 N12 O44 Si W12 -","- C8 H20 Cl1.3332 Co2.66667 N12 O44 Si W12 -","- C96 H240 Cl15.9984 Co32 N144 O528 Si12 W144 -","12","0.25","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0261","0.0235","","","0.0547","0.0563","","","","","","1.017","","","","has coordinates","223558","2020-10-21","18:00:00",""
"7234154","12.7994","0.001","13.1541","0.0011","18.1961","0.0015","92.859","0.001","90.22","0.001","95.736","0.001","3044.3","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H36 Cl2 Co3 N18 O49 Si W12 -","- C12 H24 Cl2 Co3 N18 O49 Si W12 -","- C24 H48 Cl4 Co6 N36 O98 Si2 W24 -","2","1","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0597","0.0406","","","0.0851","0.094","","","","","","0.98","","","","has coordinates,has disorder","223558","2020-10-21","18:00:00",""
"7234155","14.734","0.002","13.29","0.002","23.951","0.004","90","","96.966","0.005","90","","4655.3","1.2","256.15","","256.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu1.5 N O8 -","- C14 H8 Cu1.5 N O8 -","- C112 H64 Cu12 N8 O64 -","8","1","","Cheng, JianGuo; Liu, Jiao; Tong, Wen Quan; Wu, Dan; Yang, Fan; Hou, Lei; Wang, Yao-Yu","Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying the unique selective CO2 gas adsorption and Magnetic properties†","CrystEngComm","2019","","","","","10.1039/C9CE01374A","","","0.71073","MoKα","","0.0404","0.0337","","","0.1042","0.1075","","","","","","1.13","","","","has coordinates,has disorder","218839","2020-10-21","18:00:00",""
"7234156","8.2547","0.0004","10.948","0.0005","11.4196","0.0005","99.155","0.001","97.299","0.001","111.973","0.001","925.03","0.07","298","2","297.98","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 Co4 N3 O24 -","- C30 H31 Co4 N3 O24 -","- C30 H31 Co4 N3 O24 -","1","0.5","","Cheng, JianGuo; Liu, Jiao; Tong, Wen Quan; Wu, Dan; Yang, Fan; Hou, Lei; Wang, Yao-Yu","Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying the unique selective CO2 gas adsorption and Magnetic properties†","CrystEngComm","2019","","","","","10.1039/C9CE01374A","","","0.71073","MoKα","","0.0225","0.0213","","","0.0558","0.0566","","","","","","1.039","","","","has coordinates,has disorder","218839","2020-10-21","18:00:00",""
"7234202","32.4476","0.0003","10.1068","0.0001","17.2959","0.0001","90","","90","","90","","5672.04","0.08","300.99","0.1","300.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H52 Cu4 N12 O14 S8 -","- C42 H52 Cu4 N12 O14 S8 -","- C168 H208 Cu16 N48 O56 S32 -","4","1","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.0738","0.0778","","","","","","1.039","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234203","12.0094","0.0004","12.8836","0.0006","17.3263","0.0007","90","","92.444","0.004","90","","2678.36","0.19","159.99","0.1","159.99","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H38 N12 Ni2 O11 S8 -","- C36 H38 N12 Ni2 O11 S8 -","- C72 H76 N24 Ni4 O22 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.1173","0.0799","","","0.1988","0.2335","","","","","","0.978","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234204","12.4803","0.0005","7.7683","0.0004","27.2802","0.0015","90","","90.8","0.004","90","","2644.6","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Co N12 Na2 O18 S8 -","- C36 H52 Co N12 Na2 O18 S8 -","- C72 H104 Co2 N24 Na4 O36 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","0.71073","MoKα","","0.0735","0.0535","","","0.1272","0.1464","","","","","","1.042","","","","has coordinates,has disorder","223542","2020-10-21","18:00:00",""
"7234205","8.0702","0.0003","10.9452","0.0004","31.8143","0.0012","90","","90","","90","","2810.16","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Mo N3 O5 -","- C14 H11 Mo N3 O5 -","- C112 H88 Mo8 N24 O40 -","8","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0398","0.0298","","","0.0671","0.0714","","","","","","1.06","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234206","6.6351","0.0003","7.6159","0.0003","16.3967","0.0008","91.525","0.003","93.644","0.004","95.79","0.003","822.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0343","0.0301","","","0.0727","0.0749","","","","","","1.045","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234207","8.9395","0.0004","12.0713","0.0004","16.8359","0.0006","90","","95.768","0.004","90","","1807.59","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl Mo N3 O6 -","- C15 H16 Cl Mo N3 O6 -","- C60 H64 Cl4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0539","0.0289","","","0.0502","0.053","","","","","","0.837","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234208","7.6639","0.0004","9.7687","0.0004","11.6636","0.0004","76.424","0.003","76.154","0.004","89.268","0.006","823.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0593","0.0612","","","","","","1.067","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234209","8.9754","0.0002","12.0144","0.0009","16.8807","0.0006","90","","96.192","0.003","90","","1809.69","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Mo N3 O6 -","- C15 H16 Br Mo N3 O6 -","- C60 H64 Br4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0335","0.026","","","0.0536","0.0562","","","","","","1.036","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234210","7.239","0.0003","10.6694","0.0004","11.841","0.0004","106.795","0.003","95.133","0.003","104.217","0.003","835.94","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0288","0.0231","","","0.0541","0.0559","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234211","7.6699","0.0002","13.2183","0.0003","10.0377","0.0002","90","","92.579","0.002","90","","1016.62","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Mo N4 O10 -","- C16 H20 Mo N4 O10 -","- C32 H40 Mo2 N8 O20 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0507","","","","","","1.084","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234212","7.234","0.0003","13.889","0.0006","10.451","0.0005","90","","100.841","0.004","90","","1031.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Mo N3 O10 S -","- C16 H19 Mo N3 O10 S -","- C32 H38 Mo2 N6 O20 S2 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0212","0.0207","","","0.0508","0.0511","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234213","6.6377","0.0004","10.1622","0.0006","11.6931","0.0006","97.524","0.005","94.078","0.004","93.698","0.005","777.8","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mo N3 O6 -","- C14 H13 Mo N3 O6 -","- C28 H26 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0776","0.0565","","","0.126","0.1319","","","","","","1.126","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234214","5.166","0.005","5.694","0.006","17.261","0.017","98.37","0.05","93.01","0.04","98.12","0.06","495.9","0.9","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-cyanopyridine 1,4 diiodooctafluorobutane","","- C16 H8 F8 I2 N4 -","- C16 H8 F8 I2 N4 -","- C16 H8 F8 I2 N4 -","1","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0307","0.0292","","","0.0577","0.0581","","","","","","1.265","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234215","10.2109","0.001","12.3421","0.0013","12.8953","0.0013","101.776","0.002","99.116","0.002","92.868","0.002","1565.1","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","(4-Cyanopyridine)-(h6-p-cymene)-diiodo-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C25 H18 F6 I5 N2 Ru -","- C25 H18 F6 I5 N2 Ru -","- C50 H36 F12 I10 N4 Ru2 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.1049","0.0532","","","0.0928","0.1109","","","","","","0.972","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234216","4.2751","0.0011","27.919","0.007","12.173","0.003","90","","93.964","0.007","90","","1449.5","0.6","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-cyanopyridine 1,3-diiodo-tetrafluorobenzene","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C48 H16 F16 I8 N8 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.1672","0.0734","","","0.1216","0.1532","","","","","","0.982","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234217","4.2421","0.0003","7.0061","0.0006","27.717","0.002","90","","93.154","0.003","90","","822.52","0.11","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-cyanopyridine 1,2-diiodoethene","","- C7 H4 I N2 -","- C7 H4 I N2 -","- C28 H16 I4 N8 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0848","0.0543","","","0.0879","0.0947","","","","","","1.179","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234218","25.095","0.002","11.2129","0.0011","9.1348","0.0008","90","","95.251","0.002","90","","2559.6","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(4-Cyanopyridine)-(h6-p-cymene)-dichloro-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C22 H18 Cl2 F4 I2 N2 Ru -","- C22 H18 Cl2 F4 I2 N2 Ru -","- C88 H72 Cl8 F16 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.031","0.0254","","","0.0451","0.0469","","","","","","0.957","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234219","4.3341","0.0005","6.2294","0.0006","26.005","0.003","88.445","0.004","87.48","0.004","82.788","0.004","695.71","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","1,4-diiodotetrafluorobenzene 4-cyanopyridine","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C24 H8 F8 I4 N4 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.072","0.0643","","","0.1335","0.1366","","","","","","1.291","","","","has coordinates,has disorder","218890","2020-10-21","18:00:00",""
"7234220","11.609","0.008","13.088","0.009","11.893","0.008","90","","96.479","0.01","90","","1795","2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Cyanopyridine)-(h6-p-cymene)-diiodo-ruthenium(ii)","","- C16 H17 I2 N2 Ru -","- C16 H17 I2 N2 Ru -","- C64 H68 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0393","0.0292","","","0.0659","0.0712","","","","","","1.054","","","","has coordinates,has disorder","218890","2020-10-21","18:00:00",""
"7234221","13.2","0.003","12.855","0.003","11.449","0.002","90","","90","","90","","1942.7","0.7","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0477","0.0453","","","0.1204","0.122","","","","","","1.034","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234222","9.487","0.0019","13.015","0.003","15.666","0.003","90","","93.28","0.03","90","","1931.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0575","0.0445","","","0.1234","0.13","","","","","","1.071","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234223","16.062","0.003","15.69","0.003","8.034","0.0016","90","","98.04","0.03","90","","2004.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0533","0.0435","","","0.1236","0.1304","","","","","","1.046","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234224","9.086","0.0018","13.597","0.003","16.25","0.003","90","","97.35","0.03","90","","1991.1","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0661","0.0543","","","0.1695","0.1774","","","","","","1.154","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234225","8.971","0.0018","13.595","0.003","16.421","0.003","90","","96.7","0.03","90","","1989","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0451","0.0344","","","0.0908","0.0942","","","","","","1.03","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234226","13.351","0.003","12.726","0.003","11.533","0.002","90","","90","","90","","1959.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0444","0.0437","","","0.116","0.1169","","","","","","1.043","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234227","9.4","0.0019","13.351","0.003","15.562","0.003","90","","97.44","0.03","90","","1936.6","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0682","0.0559","","","0.1636","0.1716","","","","","","1.097","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234228","9.081","0.0018","13.6","0.003","16.245","0.003","90","","97.35","0.03","90","","1989.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0634","0.0545","","","0.166","0.1734","","","","","","1.112","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234229","15.974","0.003","15.801","0.003","7.996","0.0016","90","","98.1","0.03","90","","1998.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0421","0.0337","","","0.0902","0.0936","","","","","","1.045","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234230","9.407","0.0019","13.348","0.003","15.571","0.003","90","","97.33","0.03","90","","1939.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0546","0.048","","","0.139","0.1445","","","","","","1.06","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234231","14.47","0.003","8.437","0.0017","17.241","0.003","90","","110.23","0.03","90","","1975","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0523","0.0477","","","0.1404","0.1441","","","","","","1.089","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234233","8.0668","0.0011","10.2716","0.0015","12.5958","0.0017","110.184","0.002","95.022","0.002","105.308","0.002","926.3","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Co Mo3 N3 O15 -","- C7 H10 Co Mo3 N3 O15 -","- C14 H20 Co2 Mo6 N6 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0381","0.0335","","","0.0992","0.1026","","","","","","1.04","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234234","8.0455","0.0003","10.2229","0.0004","12.4994","0.0005","109.595","0.001","94.998","0.001","105.448","0.001","915.73","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Mo3 N3 Ni O15 -","- C7 H10 Mo3 N3 Ni O15 -","- C14 H20 Mo6 N6 Ni2 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0301","0.0253","","","0.068","0.0706","","","","","","1.044","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234235","12.2427","0.0005","12.7055","0.0005","12.9947","0.0005","117.286","0.001","101.658","0.001","104.99","0.001","1609.7","0.11","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cd Mo4 N9 O18 -","- C21 H20 Cd Mo4 N9 O18 -","- C42 H40 Cd2 Mo8 N18 O36 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0476","0.0335","","","0.0677","0.0734","","","","","","1.032","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234236","8.1287","0.0011","11.5708","0.0016","15.695","0.002","105.595","0.003","101.843","0.002","104.487","0.002","1316.6","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Mo4 N6 O18 Zn -","- C14 H16 Mo4 N6 O18 Zn -","- C28 H32 Mo8 N12 O36 Zn2 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0554","0.0361","","","0.0729","0.0811","","","","","","1.013","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234237","12.9855","0.0005","19.6775","0.0007","7.6312","0.0003","90","","102.926","0.001","90","","1900.53","0.12","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Mo3 N6 O13 Zn -","- C10 H14 Mo3 N6 O13 Zn -","- C40 H56 Mo12 N24 O52 Zn4 -","4","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0291","0.0228","","","0.0578","0.0608","","","","","","1.018","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234253","19.5322","0.0006","6.80496","0.00014","32.4249","0.0011","90","","106.039","0.004","90","","4142","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H62 Co3 N28 O4 -","- C88 H62 Co3 N28 O4 -","- C176 H124 Co6 N56 O8 -","2","0.5","","Zhao, Fei; Dong, Zhen-Peng; Liu, Zhiliang; Wang, Yan-Qin","An unusual homospin CoII ferrimagnetic single-chain magnet with large hysteresis","CrystEngComm","2019","","","","","10.1039/C9CE01246J","","","1.54184","CuKα","","0.0753","0.0531","","","0.1226","0.1363","","","","","","1.028","","","","has coordinates,has disorder","218945","2020-10-21","18:00:00",""
"7234275","7.293","0.0015","7.0892","0.0014","14.699","0.003","90","","90","","90","","760","0.3","153.15","","153.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Li2 Na2 O9 P2 Ti -","- Li2 Na2 O9 P2 Ti -","- Li8 Na8 O36 P8 Ti4 -","4","0.5","","Duan, Meihong; Li, Rukang","Li2Na2TiP2O9: an ordered Na4TiP2O9-type crystal with ion-exchange properties","CrystEngComm","2019","21","43","6514","","10.1039/C9CE01314H","","","0.71073","MoKα","","0.1016","0.0835","","","0.164","0.1739","","","","","","1.208","","","","has coordinates","223538","2020-10-21","18:00:00",""
"7234276","4.1332","0.0005","8.4034","0.0009","10.1872","0.0011","90.8565","0.0014","96.407","0.0014","101.47","0.0015","344.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0248","0.0205","","","0.0475","0.0491","","","","","","1.104","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234277","7.5636","0.00011","6.5661","0.0001","9.5826","0.00013","90","","116.607","0.0009","90","","425.506","0.011","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C4 H12 N2 Ni O6 -","- C4 H12 N2 Ni O6 -","- C8 H24 N4 Ni2 O12 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0226","0.0203","","","0.0484","0.0495","","","","","","1.067","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234278","8.505","0.004","9.781","0.004","7.345","0.003","90","","96.148","0.007","90","","607.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C6 H14 N4 Ni O2 S2 -","- C6 H14 N4 Ni O2 S2 -","- C12 H28 N8 Ni2 O4 S4 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0339","0.0277","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234310","9.27","0.003","10.612","0.003","17.42","0.007","86.182","0.008","76.13","0.009","66.631","0.005","1526.4","0.9","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cl2 Cu2 N4 O7 -","- C29 H34 Cl2 Cu2 N4 O7 -","- C58 H68 Cl4 Cu4 N8 O14 -","2","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.1367","0.0894","","","0.2335","0.2817","","","","","","1.016","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234311","9.1624","0.0014","22.44","0.003","14.897","0.002","90","","96.832","0.003","90","","3041.1","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 Cu2 N4 O6 -","- C28 H30 Cl2 Cu2 N4 O6 -","- C112 H120 Cl8 Cu8 N16 O24 -","4","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.1062","0.0541","","","0.1006","0.118","","","","","","0.99","","","","has coordinates,has disorder","219051","2020-10-21","18:00:00",""
"7234312","15.9212","0.001","10.6452","0.0006","17.4129","0.001","90","","111.849","0.001","90","","2739.2","0.3","293","2","293.24","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl2 Cu2 N4 O6 -","- C26 H26 Cl2 Cu2 N4 O6 -","- C104 H104 Cl8 Cu8 N16 O24 -","4","0.5","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.0666","0.0547","","","0.1569","0.1648","","","","","","1.12","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234313","9.4213","0.0009","10.8123","0.001","17.2301","0.0015","86.303","0.002","76.51","0.002","66.74","0.002","1567.3","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Cl2 Cu2 N5 O6 -","- C30 H33 Cl2 Cu2 N5 O6 -","- C60 H66 Cl4 Cu4 N10 O12 -","2","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.0917","0.0623","","","0.1698","0.1896","","","","","","1.038","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234314","26.035","0.008","4.7746","0.0016","9.927","0.004","90","","99.8","0.02","90","","1216","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C44 H40 I4 N12 O4 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0824","0.0463","","","0.1433","0.1792","","","","","","1.081","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234315","10.478","0.003","10.115","0.003","13.052","0.004","90","","106.83","0.012","90","","1324.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O2 -","- C14 H14 N3 O2 -","- C56 H56 N12 O8 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0942","0.0489","","","0.1188","0.1422","","","","","","1.016","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234316","4.446","0.0014","13.03","0.004","19.52","0.007","90","","90","","90","","1130.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 I N3 -","- C11 H8 I N3 -","- C44 H32 I4 N12 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.1254","0.0539","","","0.0871","0.1061","","","","","","0.972","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234353","8.9732","0.0005","9.5401","0.0005","10.9902","0.0006","82.2592","0.0019","72.1344","0.0017","65.707","0.0016","816.12","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0473","0.0366","","","0.1079","0.116","","","","","","1.03","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234354","8.6104","0.0003","6.8302","0.0002","19.1092","0.0008","90","","101.76","0.0014","90","","1100.24","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0625","0.0426","","","0.1203","0.134","","","","","","1.038","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234355","9.5746","0.0004","4.6618","0.0002","16.122","0.0007","90","","107.035","0.002","90","","688.03","0.05","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C30 H28 N4 O8 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0682","0.0497","","","0.1577","0.1687","","","","","","1.247","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234356","16.3686","0.0005","6.9285","0.0002","9.5207","0.0003","90","","123.449","0.0012","90","","900.92","0.05","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H24 N2 O10 -","- C14 H24 N2 O10 -","- C28 H48 N4 O20 -","2","0.25","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0418","0.0365","","","0.1055","0.1094","","","","","","1.085","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234357","13.0785","0.0006","4.9373","0.0002","18.7535","0.0009","90","","106.176","0.003","90","","1163.02","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C56 H44 N4 O16 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0651","0.0449","","","0.1225","0.1356","","","","","","1.007","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234358","3.677","0.003","10.505","0.007","10.652","0.007","66.88","0.02","85.72","0.02","81.68","0.02","374.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","1","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0879","0.0596","","","0.1621","0.1791","","","","","","1.038","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234359","8.1387","0.0007","9.6821","0.0008","19.0927","0.0016","102.62","0.003","90.125","0.003","107.58","0.003","1395.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H50 N10 O16 -","- C64 H50 N10 O16 -","- C64 H50 N10 O16 -","1","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.119","0.0567","","","0.155","0.189","","","","","","1.04","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234360","9.5773","0.0005","10.7505","0.0006","10.9564","0.0006","96.199","0.002","97.7308","0.0019","113.727","0.0018","1006.87","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0718","0.045","","","0.1237","0.141","","","","","","1.014","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234361","8.4722","0.0008","8.6319","0.0008","11.8009","0.0012","108.849","0.003","98.114","0.003","97.134","0.003","795.17","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0799","0.0564","","","0.1379","0.1516","","","","","","1.027","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234362","11.4554","0.0006","14.1808","0.0007","15.2055","0.0008","104.905","0.002","94.946","0.002","111.852","0.002","2169.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N8 O6 -","- C50 H46 N8 O6 -","- C100 H92 N16 O12 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0971","0.0601","","","0.1492","0.1754","","","","","","1.028","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234363","7.5267","0.0006","9.8209","0.0007","18.1895","0.0014","90","","90.747","0.003","90","","1344.43","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","2","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0607","0.0412","","","0.1089","0.1225","","","","","","0.883","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234391","7.3622","0.0012","7.8278","0.0013","9.5248","0.0018","73.758","0.015","69.604","0.016","68.658","0.015","471.81","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S -","- C10 H8 N2 O S -","- C20 H16 N4 O2 S2 -","2","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.1021","0.0718","","","0.1636","0.1898","","","","","","0.985","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234392","4.726","0.0009","14.633","0.003","12.5056","0.0017","90","","93.97","0.014","90","","862.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.2195","0.0879","","","0.2096","0.2744","","","","","","0.874","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234393","4.763","0.0002","14.344","0.0009","12.3505","0.0007","90","","95.601","0.005","90","","839.76","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.0545","0.0445","","","0.1214","0.1307","","","","","","1.081","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234394","11.3493","0.001","5.6476","0.0004","14.2419","0.001","90","","100.689","0.008","90","","897.01","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.0646","0.0502","","","0.1296","0.1466","","","","","","1.033","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234395","12.4552","0.0012","14.2434","0.0014","13.5827","0.0013","90","","101.738","0.003","90","","2359.2","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 -","- C32 H24 N4 -","- C128 H96 N16 -","4","1","","Hu, Wangqin; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Zhang, Yuhan","Multi-stimuli responsive properties switch by intra- and inter-molecular charge transfer constructed from triphenylamine derivative","CrystEngComm","2019","21","43","6630","","10.1039/C9CE01217F","","","0.71073","MoKα","","0.0789","0.0587","","","0.156","0.1731","","","","","","1.086","","","","has coordinates","223534","2020-10-21","18:00:00",""
"7234434","20.823","0.004","12.791","0.003","22.346","0.004","90","","103.89","0.03","90","","5778","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 Dy2 F36 N4 O14 -","- C38 H14 Dy2 F36 N4 O14 -","- C152 H56 Dy8 F144 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.107","0.0531","","","0.0814","0.0956","","","","","","0.998","","","","has coordinates,has disorder","223509","2020-10-21","18:00:00",""
"7234435","21.08","0.004","12.93","0.003","22.428","0.005","90","","104.26","0.03","90","","5925","2","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 N4 O14 Tb2 -","- C38 H14 F36 N4 O14 Tb2 -","- C152 H56 F144 N16 O56 Tb8 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0827","0.0671","","","0.1717","0.1879","","","","","","1.173","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234436","20.537","0.004","12.827","0.003","21.849","0.004","90","","104.98","0.03","90","","5560","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 Ho2 N4 O14 -","- C38 H14 F36 Ho2 N4 O14 -","- C152 H56 F144 Ho8 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0312","0.0277","","","0.0596","0.0611","","","","","","1.065","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234437","24.768","0.008","15.634","0.004","19.349","0.006","90","","123.945","0.005","90","","6215","3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 N2 O8 Tb -","- C25 H11 F18 N2 O8 Tb -","- C200 H88 F144 N16 O64 Tb8 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0769","0.0758","","","0.2162","0.2169","","","","","","0.971","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234438","24.222","0.006","16.502","0.007","19.343","0.008","90","","122.37","0.02","90","","6530","4","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 Dy F18 N2 O8 -","- C25 H11 Dy F18 N2 O8 -","- C200 H88 Dy8 F144 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0963","0.0557","","","0.1444","0.1835","","","","","","1.079","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234439","24.135","0.005","16.538","0.003","19.338","0.004","90","","122.23","0.03","90","","6529","3","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 Ho N2 O8 -","- C25 H11 F18 Ho N2 O8 -","- C200 H88 F144 Ho8 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0624","0.0482","","","0.1238","0.1348","","","","","","1.018","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234440","16.9943","0.0007","14.9296","0.0005","17.2155","0.0006","90","","117.37","0.005","90","","3878.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]-polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0737","0.0561","","","0.1645","0.1775","","","","","","1.056","","","","has coordinates","223507","2020-10-21","18:00:00",""
"7234441","16.8161","0.0003","14.6779","0.0002","17.1039","0.0003","90","","117.901","0.003","90","","3730.93","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]_polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0529","0.0492","","","0.1422","0.1452","","","","","","1.021","","","","has coordinates","223507","2020-10-21","18:00:00",""
"7234442","12.1386","0.0006","18.463","0.0009","13.0343","0.0006","90","","102.918","0.005","90","","2847.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Brexpiprazole Catechol Co-crystal","","- C31 H33 N3 O4 S -","- C31 H33 N3 O4 S -","- C124 H132 N12 O16 S4 -","4","1","","Arabiani, Mohsin Razakbhai; Bal Raju, K.; Bhunia, Surojit; Teja, Pyla Kranthi; Lodagekar, Anurag; Chavan, Rahul B.; Shastri, Nalini R.; Reddy, Chilla Malla; Shelat, Pragna; Dave, Divyang","Brexpiprazole-Catechol Cocrystal: Structure Elucidation, Excipient Compatibility and Stability","CrystEngComm","2019","","","","","10.1039/C9CE01182J","","x-ray","0.71073","MoKα","","0.0912","0.0558","","","0.1087","0.1251","","","","","","1.042","","","","has coordinates","219142","2020-10-21","18:00:00",""
"7234508","17.398","0.0008","12.761","0.0004","8.551","0.0003","90","","101.51","0.004","90","","1860.28","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N2 O7 -","- C20 H16 Cu N2 O7 -","- C80 H64 Cu4 N8 O28 -","4","1","","He, Yuan-Chun; Zhang, Jie; Xiao, Li-Yuan; Yuan, Zi-Han; Yu, Yang; Wang, Yan; Zhu, Kunlei; Kan, Wei-Qiu","A Novel Coordination Polymer based on a New Multidentate Ligand: Synthesis, Structure and Properties","CrystEngComm","2019","","","","","10.1039/C9CE01307E","","","0.71069","MoKα","","0.0646","0.0439","","","0.0986","0.1094","","","","","","1.04","","","","has coordinates,has disorder","219229","2020-10-21","18:00:00",""
"7234509","10.6508","0.0009","14.5943","0.0013","7.9248","0.0006","90","","107.384","0.003","90","","1175.57","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Yang, Pengpeng; Li, Xiaojie; Liu, Haodong; Li, Zihan; Liu, Jun; Zhuang, Wei; Wu, Jianglan; Ying, Hanjie","Thermodynamics, Crystal structure, and Characterization of Bio-based Nylon 54 monomer.","CrystEngComm","2019","","","","","10.1039/C9CE01204D","","","0.71073","MoKα","","0.0763","0.0547","","","0.1493","0.1655","","","","","","1.051","","","","has coordinates,has disorder","219230","2020-10-21","18:00:00",""
"7234527","11.6125","0.0007","12.4","0.0009","13.7567","0.001","89.154","0.006","79.572","0.005","87.827","0.005","1946.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","1","0.5","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71073","MoKα","","0.1422","0.0857","","","0.2315","0.2754","","","","","","1.161","","","","has coordinates","219264","2020-10-21","18:00:00",""
"7234528","9.5769","0.0003","20.4478","0.0008","37.235","0.0012","92.209","0.003","92.601","0.003","103.469","0.003","7074.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H194 F12 N22 O7 Si2 -","- C130 H194 F12 N22 O7 Si2 -","- C260 H388 F24 N44 O14 Si4 -","2","1","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71","MoKα","","0.2499","0.0805","","","0.1256","0.1842","","","","","","1.052","","","","has coordinates","219264","2020-10-21","18:00:00",""
"7234529","11.398","0.0003","11.8157","0.0003","16.3102","0.0004","96.121","0.001","96.47","0.002","114.2","0.001","1962.28","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","1","0.5","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71073","MoKα","","0.0724","0.0478","","","0.1333","0.1476","","","","","","0.876","","","","has coordinates,has disorder","219264","2020-10-21","18:00:00",""
"7234530","4.0393","0.0001","11.2187","0.0004","16.2922","0.0004","90","","90","","90","","738.29","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(pyrazol-1-yl)pyridine","","- C8 H6 F N3 -","- C8 H6 F N3 -","- C32 H24 F4 N12 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0293","0.0277","","","0.077","0.0786","","","","","","1.079","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234531","12.5794","0.0009","3.8549","0.0003","20.4981","0.0014","90","","103.627","0.007","90","","966.02","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine","","- C10 H8 N6 -","- C10 H8 N6 -","- C40 H32 N24 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0685","0.0523","","","0.1268","0.1351","","","","","","1.135","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234532","19.919","0.0003","15.3887","0.0003","18.5909","0.0003","90","","101.152","0.002","90","","5591.02","0.17","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0639","0.062","","","0.1594","0.1611","","","","","","1.035","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234533","19.9189","0.0006","15.8603","0.0005","18.7484","0.0004","90","","99.528","0.002","90","","5841.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1) nitromethane solvate","","- C41 H41 B4 F16 Fe2 N25 O5 -","- C41 H39 B4 F16 Fe2 N25 O5 -","- C164 H156 B16 F64 Fe8 N100 O20 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.1236","0.0848","","","0.2212","0.2496","","","","","","1.031","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234534","19.9235","0.0005","15.5984","0.0005","18.6533","0.0004","90","","100.512","0.002","90","","5699.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.085","0.082","","","0.2271","0.2314","","","","","","1.029","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234535","19.901","0.0005","15.9683","0.0004","18.7282","0.0006","90","","99.397","0.003","90","","5871.7","0.3","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/0.66) nitromethane solvate","","- C41 H40.32 B4 F16 Fe2 N25 O4.66 -","- C41 H39 B4 F16 Fe2 N25 O4.66 -","- C164 H156 B16 F64 Fe8 N100 O18.64 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0899","0.0834","","","0.2363","0.2454","","","","","","1.043","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234566","12.8757","0.0007","13.7673","0.0006","13.981","0.0006","112.203","0.004","112.169","0.005","101.951","0.004","1940.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Fe N11 O5 -","- C33 H21 Fe N11 O5 -","- C66 H42 Fe2 N22 O10 -","2","1","","You, Ming-Hua; Li, Meng-Hua; Liu, Yong-Fei; Li, Hao-Hong; Lin, Mei-Jin","Unprecedented five-fold interpenetrated donor-acceptor hybrid heterostructure induced by anion-π interactions","CrystEngComm","2019","","","","","10.1039/C9CE01416K","","","0.71073","MoKα","","0.13","0.0631","","","0.1469","0.1669","","","","","","0.871","","","","has coordinates","219303","2020-10-21","18:00:00",""
"7234567","17.4662","0.0004","19.7085","0.0004","20.633","0.0005","85.483","0.002","68.312","0.002","89.088","0.002","6578.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C230 H56 N8 S4 Zn2 -","- C228.5 H56 N8 S4 Zn2 -","- C457 H112 N16 S8 Zn4 -","2","1","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","1.54184","CuKα","","0.1081","0.098","","","0.2475","0.2578","","","","","","1.037","","","","has coordinates,has disorder","219304","2020-10-21","18:00:00",""
"7234568","25.4112","0.0005","23.8293","0.0004","22.1557","0.0004","90","","90","","90","","13416","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C231 H56 Co2 N8 S6 -","- C231 H56 Co2 N8 S6 -","- C924 H224 Co8 N32 S24 -","4","0.5","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.0559","0.0405","","","0.0984","0.1066","","","","","","1.025","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234569","17.4771","0.0007","19.6561","0.0007","20.6533","0.0007","85.686","0.002","68.147","0.002","89.352","0.002","6565.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C115 H30 N4 S2 -","- C115 H30 N4 S2 -","- C460 H120 N16 S8 -","4","2","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.1624","0.1021","","","0.2605","0.2921","","","","","","1.087","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234570","7.8682","0.0003","10.5629","0.0004","11.607","0.0005","90","","106.552","0.005","90","","924.7","0.07","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H8 Cu2 O11 -","- C10 H2 Cu2 O10.99 -","- C20 H4 Cu4 O21.98 -","2","0.5","","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Lu, Guodong; Xuan, Xiaopeng","Cooperative proton transportation based on the reversible single crystal‒single crystal transformation in a highly water-stable Cu-MOF with its facile and scalable preparation","CrystEngComm","2019","","","","","10.1039/C9CE01334B","","x-ray","1.54184","CuKα","","0.0562","0.054","","","0.174","0.1771","","","","","","1.161","","","","has coordinates,has disorder","219305","2020-10-21","18:00:00",""
"7234597","8.562","0.002","26.558","0.006","13.38","0.003","90","","94.261","0.003","90","","3034.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 Cu2 N4 O11 -","- C20 H36 Cl2 Cu2 N4 O11 -","- C80 H144 Cl8 Cu8 N16 O44 -","4","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0764","0.0488","","","0.126","0.1373","","","","","","1.05","","","","has coordinates,has disorder","219342","2020-10-21","18:00:00",""
"7234598","16.35","0.002","22.735","0.004","9.2574","0.0013","90","","124.421","0.004","90","","2838.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Cl Cu2 N6 O5 S2 -","- C20.9976 H30.9936 Cl Cu2 N6 O5 S2 -","- C83.9904 H123.974 Cl4 Cu8 N24 O20 S8 -","4","0.5","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.074","0.0502","","","0.1196","0.1333","","","","","","1.054","","","","has coordinates,has disorder","219342","2020-10-21","18:00:00",""
"7234599","8.68","0.003","31.891","0.013","9.216","0.004","90","","97.6","0.005","90","","2528.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl3 Cu2 N7 O9 -","- C16 H24 Cl3 Cu2 N7 O9 -","- C64 H96 Cl12 Cu8 N28 O36 -","4","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0875","0.0504","","","0.1097","0.1273","","","","","","1.01","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234600","25.2711","0.001","14.5525","0.0006","16.6199","0.0006","90","","90","","90","","6112.1","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H33 Cu2 N7 O S3 -","- C23 H33 Cu2 N7 O S3 -","- C184 H264 Cu16 N56 O8 S24 -","8","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0776","0.0557","","","0.1503","0.1695","","","","","","1.027","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234601","5.732","0.0003","11.2839","0.0006","12.309","0.0007","83.794","0.002","82.313","0.002","77.034","0.002","766.35","0.07","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0638","0.037","","","0.066","0.085","","","","","","1.053","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234602","5.6832","0.0002","11.0865","0.0004","12.2076","0.0005","82.9822","0.0014","82.3948","0.0012","77.3857","0.0012","740.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0162","0.0157","","","0.0387","0.039","","","","","","0.985","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234603","5.7219","0.0002","11.2301","0.0004","12.2908","0.0004","83.6745","0.0016","82.3392","0.0014","77.163","0.0014","760.51","0.05","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0539","0.0361","","","0.0646","0.0796","","","","","","1.061","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234604","10.9466","0.0005","16.4851","0.0007","8.6575","0.0003","90","","96.0062","0.0019","90","","1553.72","0.11","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.072 H11.072 Cl1.9498 I1.0251 N -","- C64.288 H44.288 Cl7.7992 I4.1004 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.1405","0.0662","","","0.0704","0.0794","","","","","","1.082","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234605","10.9007","0.0003","16.4319","0.0004","8.6457","0.0002","90","","96.2379","0.001","90","","1539.44","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.092 H11.092 Cl1.954 I1.023 N -","- C64.368 H44.368 Cl7.816 I4.092 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0554","0.0328","","","0.0638","0.0762","","","","","","1.141","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234606","9.285","0.005","10.118","0.005","15.913","0.008","80.568","0.006","81.516","0.006","65.604","0.006","1337.8","1.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","3-phenylpyrrolidine-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C60 H54 N6 O12 -","6","3","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0762","0.047","","","0.1132","0.1299","","","","","","1.03","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234607","15.51","0.14","5.64","0.05","20.49","0.16","90","","108.1","0.1","90","","1704","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.1352","0.0691","","","0.1326","0.1687","","","","","","0.866","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234608","15.57","0.04","5.719","0.015","20.69","0.06","90","","107.77","0.02","90","","1754","8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0581","0.0368","","","0.0846","0.095","","","","","","0.988","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234609","15.564","0.005","5.7158","0.0019","20.595","0.008","90","","107.363","0.006","90","","1748.7","1.1","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenylpyrrolidine-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0757","0.0429","","","0.0867","0.0993","","","","","","1.017","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234610","15.575","0.006","5.711","0.002","20.567","0.008","90","","107.533","0.005","90","","1744.4","1.1","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0497","0.0331","","","0.0773","0.085","","","","","","1.025","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234647","6.978","0.0006","14.762","0.0013","12.3395","0.001","90","","100.14","0.003","90","","1251.23","0.18","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0322","0.0303","","","0.0734","0.0749","","","","","","1.066","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234648","15.872","0.003","7.3428","0.0012","9.2728","0.0015","90","","90","","90","","1080.7","0.3","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C36 H60 Cl8 N8 O2 -","2","0.5","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0261","0.0257","","","0.0686","0.0688","","","","","","1.093","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234649","9.6563","0.0005","11.4146","0.0007","24.6751","0.0014","90","","90","","90","","2719.8","0.3","173.01","","173.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl8 Cu2 N4 O -","- C18 H30 Cl8 Cu2 N4 O -","- C72 H120 Cl32 Cu8 N16 O4 -","4","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0213","0.0211","","","0.0543","0.0544","","","","","","1.243","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234691","32.4701","0.0018","16.2657","0.0009","10.7306","0.0006","90","","90","","90","","5667.4","0.5","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H64 N4 O14 -","- C64 H64 N4 O14 -","- C256 H256 N16 O56 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0515","0.0404","","","0.0927","0.0988","","","","","","1.038","","","","has coordinates","223533","2020-10-21","18:00:00",""
"7234692","12.4398","0.0005","27.9839","0.0011","15.9403","0.0006","90","","91.647","0.002","90","","5546.8","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H65 Mn N3 O20 -","- C57 H55 Mn N3 O20 -","- C228 H220 Mn4 N12 O80 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.1058","0.0852","","","0.2477","0.2733","","","","","","1.041","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234693","14.8977","0.0004","29.2369","0.0009","12.7603","0.0005","90","","90","","90","","5557.9","0.3","100","2","100.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H49 Cu N3 O14 -","- C56.333 H42 Cu N2 O14 -","- C225.332 H168 Cu4 N8 O56 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0707","0.0654","","","0.1786","0.1843","","","","","","1.062","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234694","17.772","0.0018","11.6573","0.0012","29.512","0.003","90","","101.183","0.003","90","","5998","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 N8 O18 -","- C60 H60 N8 O18 -","- C240 H240 N32 O72 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.71073","MoKα","","0.1468","0.0883","","","0.2359","0.2817","","","","","","1.028","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234731","8.14","0.0006","13.4654","0.0005","16.3082","0.0008","90","","90","","90","","1787.51","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 I N2 O4 -","- C16 H17 I N2 O4 -","- C64 H68 I4 N8 O16 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0407","0.0364","","","0.0757","0.0781","","","","","","1.048","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234732","8.3915","0.0007","10.0389","0.0008","10.2106","0.0009","111.275","0.008","96.662","0.007","95.904","0.007","786.3","0.13","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl I N2 O4 -","- C14 H12 Cl I N2 O4 -","- C28 H24 Cl2 I2 N4 O8 -","2","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0574","0.049","","","0.1281","0.1351","","","","","","1.053","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234733","23.0873","0.001","9.6374","0.0003","7.245","0.0003","90","","106.961","0.004","90","","1541.91","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 I N2 O5 -","- C14 H13 I N2 O5 -","- C56 H52 I4 N8 O20 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.028","0.0257","","","0.0452","0.046","","","","","","1.023","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234734","8.288","0.002","11.555","0.003","11.805","0.003","90","","91.113","0.006","90","","1130.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","CL-20-HTFAZ","","","- C12 H7 N19 O15 -","- C12 H7 N19 O15 -","- C24 H14 N38 O30 -","2","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Zhang, Qian; Xu, Minghui; Mo, Hongchang; Wang, Bozhou","Preparation of CL-20/TFAZ cocrystals under aqueous condition: balancing high performance and low sensitivity","CrystEngComm","2019","","","","","10.1039/C9CE01221D","","","0.71073","MoKα","","0.1199","0.0566","","","0.0787","0.0993","","","","","","0.985","","","","has coordinates","219433","2020-10-21","18:00:00",""
"7234738","18.1605","0.0007","7.4488","0.0003","26.122","0.001","90","","97.314","0.001","90","","3504.9","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H126 O17 -","- C72 H126 O17 -","- C144 H252 O34 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0465","0.0444","","","0.1184","0.1204","","","","","","1.034","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234739","11.7747","0.0001","12.4564","0.0001","14.179","0.0001","90","","98","","90","","2059.4","0.03","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H76 O11 -","- C40 H76 O11 -","- C80 H152 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0378","0.0377","","","0.0996","0.0997","","","","","","1.042","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234740","11.5408","0.0018","12.3313","0.0017","14.1447","0.0019","90","","95.908","0.007","90","","2002.3","0.5","170.21","","170.21","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H74 O11 -","- C39 H74 O11 -","- C78 H148 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0517","0.043","","","0.0905","0.0952","","","","","","1.072","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234741","11.4907","0.0006","12.3599","0.0006","14.0787","0.0008","90","","96.646","0.003","90","","1986.08","0.18","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H71 O11 -","- C38 H72 O11 -","- C76 H144 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0385","0.0351","","","0.0783","0.0808","","","","","","1.047","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234742","15.856","0.003","7.5818","0.0015","16.567","0.003","90","","117.95","0.03","90","","1759.3","0.8","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H64 O9 -","- C36 H64 O9 -","- C72 H128 O18 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0384","0.0338","","","0.0841","0.0877","","","","","","1.016","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234743","15.9962","0.0001","11.9543","0.0001","20.14","0.0002","90","","101.98","","90","","3767.36","0.05","170.15","","170.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H132 O20 -","- C72 H124 O19.5 -","- C144 H248 O39 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.047","0.045","","","0.1249","0.1275","","","","","","1.029","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234744","16.2329","0.0019","11.8682","0.0012","20.21","0.003","90","","103.607","0.007","90","","3784.3","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H68 O9 -","- C38 H68 O9 -","- C152 H272 O36 -","4","2","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0574","0.0487","","","0.1211","0.1293","","","","","","1.051","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234752","7.0708","0.0006","9.0071","0.0007","15.9404","0.0013","98.578","0.004","99.7","0.003","106.58","0.004","937.95","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin ferulic acid cocrystal","","- C18 H16 N4 O9 -","- C18 H16 N4 O9 -","- C36 H32 N8 O18 -","2","1","","Barua, Harsh; Gunnam, Anilkumar; Yadav, Balvant; Nangia, Ashwini; Shastri, Nalini R.","An ab initio molecular dynamics method for cocrystal prediction: A validation of the approach","CrystEngComm","2019","","","","","10.1039/C9CE01436E","","","0.71073","MoKα","","0.0428","0.0358","","","0.0935","0.0987","","","","","","1.105","","","","has coordinates","219468","2020-10-21","18:00:00",""
"7234753","7.7093","0.0005","14.9332","0.0009","23.5619","0.0014","90","","90","","90","","2712.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 N O3 P -","- C35 H28 N O3 P -","- C140 H112 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0738","0.0488","","","0.092","0.1011","","","","","","1.025","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234754","7.1528","0.0007","15.2774","0.0016","43.271","0.004","90","","90","","90","","4728.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C216 H200 Cl8 N8 O24 P8 -","8","2","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0687","0.0511","","","0.1145","0.1246","","","","","","1.037","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234755","6.8897","0.0003","14.6971","0.0006","12.2755","0.0005","90","","103.491","0.003","90","","1208.7","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C54 H50 Cl2 N2 O6 P2 -","2","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0777","0.0479","","","0.1086","0.1254","","","","","","1.011","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234756","8.1428","0.001","11.1701","0.0012","25.718","0.003","90","","90","","90","","2339.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C108 H100 Cl4 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0413","0.0368","","","0.0935","0.0964","","","","","","1.058","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234757","13.9925","0.0002","13.9925","0.0002","13.9925","0.0002","90","","90","","90","","2739.59","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Na -","- C6 H14 B3 F12 N2 Na -","- C48 H112 B24 F96 N16 Na8 -","8","0.333333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.0921","0.0839","","","0.2061","0.2102","","","","","","1.242","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7234758","7.1593","0.0013","7.1593","0.0013","7.1593","0.0013","90","","90","","90","","366.95","0.12","408","2","408","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C12 H28 B6 F24 N4 Na2 -","- C9.1 B3 F12 Na -","- C9.1 B3 F12 Na -","1","0.0208333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.2858","0.2329","","","0.6364","0.6589","","","","","","2.567","","","","has coordinates","219470","2020-10-21","18:00:00",""
"7234764","28.1534","0.0016","13.4987","0.0008","31.1648","0.0019","90","","90","","90","","11843.7","1.2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H83 N6 O75 P2 Re2 W17 -","- C30 N6 O75 P2 Re2 W17 -","- C120 N24 O300 P8 Re8 W68 -","4","0.5","","Niu, Jingyang; Lu, Jingkun; Feng, Junwei; Ma, Xinyi; Wang, Ping; Xu, Baijie; He, Peipei; Jia, Jiage; Ma, Pengtao; Wang, Jingping","A new phoshotungstate-supported rhenium carbonyl derivative: synthesis, characterization and catalytic selective oxidation of thiophenes","CrystEngComm","2019","","","","","10.1039/C9CE01124B","","","0.71073","MoKα","","0.1","0.0606","","","0.1273","0.1463","","","","","","1.086","","","","has coordinates","219503","2020-10-21","18:00:00",""
"7234765","16.8716","0.0006","11.2042","0.0004","18.2255","0.0008","90","","111.644","0.001","90","","3202.3","0.2","273.15","","273.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C68 H62 N2 O25 Tb2 -","- C68 H62 N2 O25 Tb2 -","- C136 H124 N4 O50 Tb4 -","2","0.5","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Niu, Xiao-Yan; Hu, Tuoping","A Bifunctional 3D Tb-Based Metal−Organic Framework for Sensing and Removal of Antibiotics in Aqueous Medium","CrystEngComm","2019","","","","","10.1039/C9CE01303B","","","0.71076","MoKα","","0.0535","0.0297","","","0.055","0.0605","","","","","","1.011","","","","has coordinates,has disorder","219520","2020-10-21","18:00:00",""
"7234791","24.9223","0.0004","9.0196","0.0002","8.8869","0.0001","90","","93.248","0.002","90","","1994.47","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","1.54184","CuKα","","0.0182","0.0166","","","0.0428","0.0437","","","","","","1.095","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234792","25.174","0.005","9.1572","0.0018","8.9838","0.0017","90","","93.25","0.007","90","","2067.6","0.7","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0488","0.0306","","","0.0598","0.0655","","","","","","1.02","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234793","7.9617","0.0001","9.9312","0.0001","23.5837","0.0003","90","","90","","90","","1864.75","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0234","0.0188","","","0.0489","0.052","","","","","","1.059","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234794","9.24933","0.00017","25.7601","0.0006","8.66218","0.00018","90","","90","","90","","2063.88","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0467","0.0453","","","0.1087","0.1093","","","","","","1.121","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234795","9.1624","0.0005","23.482","0.0012","8.993","0.0004","90","","90","","90","","1934.86","0.17","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0688","0.073","","","","","","1.037","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234796","8.134","0.002","9.964","0.003","23.849","0.006","90","","90","","90","","1932.9","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0549","0.0417","","","0.1026","0.1122","","","","","","1.037","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234797","9.27849","0.00019","23.5754","0.0005","8.6023","0.0002","90","","90","","90","","1881.7","0.07","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0316","0.0294","","","0.079","0.0809","","","","","","1.057","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234798","9.2133","0.0002","25.7139","0.0006","8.9323","0.0002","90","","90","","90","","2116.15","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.065","0.0446","","","0.1124","0.1229","","","","","","1.098","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234799","8.2155","0.0005","9.0903","0.0006","28.4307","0.0015","90","","89.934","0.006","90","","2123.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl4 N4 Zn2 -","- C15 H20 Cl4 N4 Zn2 -","- C60 H80 Cl16 N16 Zn8 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1029","0.0613","","","0.1424","0.162","","","","","","1.035","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234800","11.1502","0.0016","7.9734","0.0011","24.052","0.004","90","","101.187","0.014","90","","2097.7","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl4 N4 Zn2 -","- C15 H20 Cl4 N4 Zn2 -","- C60 H80 Cl16 N16 Zn8 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0835","0.0575","","","0.1406","0.1535","","","","","","1.048","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234801","8.8131","0.0005","10.9659","0.0005","18.8718","0.0011","90","","90","","90","","1823.84","0.17","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Ag N5 O4 -","- C15 H20 Ag N5 O4 -","- C60 H80 Ag4 N20 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0645","0.05","","","0.1153","0.1242","","","","","","1.04","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234802","10.0058","0.0003","13.0872","0.0004","16.0032","0.0004","90","","93.587","0.003","90","","2091.48","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd2 Cl4 N4 -","- C15 H20 Cd2 Cl4 N4 -","- C60 H80 Cd8 Cl16 N16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0535","0.043","","","0.0941","0.0988","","","","","","1.055","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234803","8.5231","0.0005","12.7666","0.0006","21.774","0.0016","90","","94.182","0.005","90","","2362.9","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H26 Ag N7 O11 -","- C15 H22 Ag N7 O11 -","- C60 H88 Ag4 N28 O44 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1359","0.1005","","","0.2688","0.3008","","","","","","1.046","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234804","9.2925","0.0017","17.4748","0.0016","11.801","0.0014","90","","90","","90","","1916.3","0.5","295","2","295","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1488","0.0719","","","0.1572","0.195","","","","","","1.034","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234805","13.2119","0.0009","13.2119","0.0009","19.7637","0.0017","90","","90","","120","","2987.6","0.4","295","2","295","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C15 H20 Cd N4 O4 S -","- C15 H20 Cd N4 O4 S -","- C90 H120 Cd6 N24 O24 S6 -","6","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0847","0.0591","","","0.1514","0.1666","","","","","","1.031","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234806","10.1912","0.0012","11.3272","0.0005","18.475","0.001","90","","103.764","0.009","90","","2071.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cd N6 O7 -","- C15 H22 Cd N6 O7 -","- C60 H88 Cd4 N24 O28 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0898","0.0608","","","0.1584","0.1766","","","","","","1.022","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234807","8.9927","0.0007","10.6548","0.0008","19.9208","0.0011","90","","90","","90","","1908.7","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0995","0.0625","","","0.1633","0.1908","","","","","","1.039","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234808","9.4896","0.0004","11.622","0.0004","19.7734","0.0008","90","","90","","90","","2180.77","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cd Cl2 N4 O9 -","- C15 H22 Cd Cl2 N4 O9 -","- C60 H88 Cd4 Cl8 N16 O36 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0783","0.0712","","","0.1872","0.1956","","","","","","1.018","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234842","20.536","0.006","12.539","0.002","7.7893","0.0014","90","","91.11","0.02","90","","2005.4","0.8","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 N10 O10 -","- C44 H36 Ag2 N10 O10 -","- C88 H72 Ag4 N20 O20 -","2","0.25","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.048","0.0459","","","0.1205","0.1235","","","","","","1.053","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234843","37.8693","0.0014","7.4572","0.0004","17.8043","0.0008","90","","90","","90","","5027.9","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H42 Ag2 F6 N8 O9 -","- C50.004 H40 Ag2 F6.006 N8 O9.004 -","- C200.016 H160 Ag8 F24.024 N32 O36.016 -","4","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0682","0.0447","","","0.1117","0.1286","","","","","","1.035","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234844","22.6683","0.0006","11.9842","0.0002","17.9923","0.0005","90","","111.403","0.003","90","","4550.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag F3 N4 O4 -","- C24 H18 Ag F3 N4 O4 -","- C192 H144 Ag8 F24 N32 O32 -","8","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0253","0.0238","","","0.0624","0.0638","","","","","","1.032","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234845","7.2584","0.0002","14.4126","0.0003","21.3749","0.0005","90","","91.472","0.002","90","","2235.34","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag N5 O5 -","- C24 H22 Ag N5 O5 -","- C96 H88 Ag4 N20 O20 -","4","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0385","0.0312","","","0.0766","0.0806","","","","","","1.033","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234846","9.2321","0.0003","11.438","0.0004","11.853","0.0004","96.574","0.003","91.848","0.002","104.559","0.003","1201.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Ag2 Cl2 N8 O12 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","1","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0267","0.0244","","","0.0645","0.0665","","","","","","1.027","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234847","7.3244","0.0006","8.2198","0.0007","19.557","0.001","87.931","0.005","86.794","0.006","88.681","0.007","1174.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Ag N5 O6 -","- C23 H22 Ag N5 O6 -","- C46 H44 Ag2 N10 O12 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.0784","0.0629","","","0.1642","0.1824","","","","","","1.043","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234848","8.7388","0.0003","11.7437","0.0004","15.173","0.0004","89.58","0.003","74.494","0.003","80.378","0.003","1478.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Ag F3 N4 O8 -","- C26 H30 Ag F3 N4 O8 -","- C52 H60 Ag2 F6 N8 O16 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0604","0.0486","","","0.1386","0.1495","","","","","","1.052","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234849","17.657","0.0005","21.7188","0.0005","27.9006","0.0005","97.688","0.002","100.408","0.002","98.551","0.002","10263.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C320 H460 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1263","0.1047","","","0.241","0.2561","","","","","","1.401","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234850","13.8053","0.0003","13.8709","0.0003","16.1942","0.0004","65.439","0.002","83.047","0.002","87.191","0.002","2799.73","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H134 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0532","0.0434","","","0.1076","0.1112","","","","","","1.007","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234851","13.9722","0.0003","17.1363","0.0007","44.1982","0.0012","97.328","0.003","93.974","0.002","100.205","0.003","10284.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C160 H224 Ce2 Cl N12 Na O104 S16 -","- C160 H180 Ce2 Cl N12 Na O104 S16 -","- C320 H360 Ce4 Cl2 N24 Na2 O208 S32 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1649","0.1084","","","0.2528","0.2942","","","","","","1.246","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234852","15.0362","0.0002","17.4614","0.0003","21.0544","0.0003","100.755","0.001","95.9","0.001","98.544","0.001","5321.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H126 Er2 N4 O63.5 S8 -","- C74 H78 Er2 N4 O63.4991 S8 -","- C148 H156 Er4 N8 O126.998 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0865","0.0752","","","0.1866","0.1949","","","","","","1.003","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234853","15.1413","0.0003","21.5216","0.0004","25.0716","0.0004","105.589","0.001","96.342","0.001","109.239","0.002","7249.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H162 Ce1.33 N4 O63 P2 S8 -","- C120 H118 Ce1.3333 N4 O63 P2 S8 -","- C240 H236 Ce2.6666 N8 O126 P4 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1028","0.0855","","","0.2439","0.2616","","","","","","1.015","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234854","16.9848","0.0003","17.2326","0.0003","23.7694","0.0004","98.35","0.001","103.459","0.001","116.03","0.002","5831.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H286 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.066","0.053","","","0.1289","0.1371","","","","","","1.07","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234855","14.9999","0.0003","17.5274","0.0004","21.1206","0.0004","100.434","0.002","96.481","0.002","98.621","0.002","5343","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H258 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.1536","0.1066","","","0.2585","0.2932","","","","","","1.004","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234856","22.4311","0.0003","36.5505","0.0004","43.3752","0.0008","90","","104.433","0.002","90","","34439.6","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C576 H812 Cl Gd10 N24 Na O358 P6 S48 -","- C576 H588 Cl Gd10 N24 Na O358 P6 S48 -","- C1152 H1176 Cl2 Gd20 N48 Na2 O716 P12 S96 -","2","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1219","0.0975","","","0.2571","0.2824","","","","","","1.008","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234857","15.2241","0.0002","17.7001","0.0003","20.5479","0.0003","100.785","0.001","96.463","0.001","97.675","0.001","5336.4","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H126 Gd2 N4 O65 S8 -","- C72 H126 Gd2 N4 O65 S8 -","- C144 H252 Gd4 N8 O130 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.046","0.0354","","","0.0813","0.0861","","","","","","1","","","","has coordinates","257434","2020-10-21","18:00:00",""
"7234880","9.3608","0.0003","9.9545","0.0004","17.4674","0.0005","93.775","0.003","102.159","0.002","112.23","0.003","1453.7","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N16 O20 Zn2 -","- C48 H56 N16 O20 Zn2 -","- C48 H56 N16 O20 Zn2 -","1","0.5","","Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k","Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application","CrystEngComm","2019","","","","","10.1039/C9CE01357A","","x-ray","0.71073","MoKα","","0.0583","0.0433","","","0.1082","0.1143","","","","","","1.075","","","","has coordinates","220578","2020-10-21","18:00:00",""
"7234881","10.1917","0.0003","18.4359","0.0005","11.7353","0.0003","90","","95.771","0.002","90","","2193.81","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cd N12 O12 -","- C42 H42 Cd N12 O12 -","- C84 H84 Cd2 N24 O24 -","2","0.5","","Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k","Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application","CrystEngComm","2019","","","","","10.1039/C9CE01357A","","x-ray","0.71073","MoKα","","0.1022","0.0496","","","0.0832","0.0969","","","","","","0.966","","","","has coordinates","220578","2020-10-21","18:00:00",""
"7234893","14.234","0.0013","19.8446","0.0019","15.452","0.0016","90","","106.326","0.003","90","","4188.7","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H52 Cu4 N32 -","- C100 H52 Cu4 N32 -","- C200 H104 Cu8 N64 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kawata, Satoshi","Supramolecular self-assembled coordination architecture composed of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear CuII complex and 7,7′,8,8′,-tetracyano-p-quinodimethanide radicals","CrystEngComm","2020","22","2","159","163","10.1039/C9CE01580A","","","0.71075","MoKα","","0.0688","0.0433","","","0.1126","0.1321","","","","","","1.043","","","","has coordinates","257462","2020-10-21","18:00:00",""
"7234916","7.7024","0.0011","15.716","0.002","18.368","0.003","90","","90","","90","","2223.5","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C72 H120 Cl16 N16 O4 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0342","0.0323","","","0.0775","0.0789","","","","","","1.12","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234917","6.9923","0.0005","14.3694","0.001","12.7878","0.0009","90","","101.514","0.002","90","","1259","0.15","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0377","0.0368","","","0.0973","0.0979","","","","","","1.074","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234918","9.8247","0.0004","9.8247","0.0004","32.973","0.002","90","","90","","120","","2756.3","0.2","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H24 Cl2 Cu N4 -","- C18 H24 Cl2 Cu N4 -","- C108 H144 Cl12 Cu6 N24 -","6","0.5","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0333","0.0322","","","0.0783","0.0789","","","","","","1.174","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234919","13.7107","0.0008","23.0021","0.0014","7.9717","0.0004","90","","90","","90","","2514.1","0.2","150","2","149.65","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Cl6 Cu N4 -","- C18 H28 Cl6 Cu N4 -","- C72 H112 Cl24 Cu4 N16 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0864","0.0646","","","0.1546","0.1669","","","","","","1.036","","","","has coordinates,has disorder","223240","2020-10-21","18:00:00",""
"7234920","16.54","0.02","5.411","0.007","17.9","0.02","90","","100.47","0.02","90","","1575","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metropolol","1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol]","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.4226","0.079","","","0.0901","0.1541","","","","","","0.857","","","","has coordinates","223241","2020-10-21","18:00:00",""
"7234921","8.174","0.0017","9.264","0.002","14.884","0.003","98.244","0.005","96.622","0.004","99.623","0.005","1088.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-N-isopropyl-3-(4-(2-methoxyethyl)phenoxy)propan-1-aminium nicotinate","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C42 H60 N4 O10 -","2","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.2085","0.0779","","","0.2109","0.2763","","","","","","0.975","","","","has coordinates","223241","2020-10-21","18:00:00",""
"7234922","22.5314","0.0007","18.9885","0.0008","7.8845","0.0003","90","","90","","90","","3373.3","0.2","300","2","300.15","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.1203","0.0527","","","0.1171","0.1477","","","","","","1.005","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234923","11.894","0.002","19.099","0.004","7.8047","0.0016","90","","108.91","0.03","90","","1677.3","0.6","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C24 H64 Br20 N8 Sb4 -","4","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0415","0.0313","","","0.0643","0.0691","","","","","","1.019","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234924","22.4485","0.0006","18.9653","0.0005","7.9488","0.0002","90","","90","","90","","3384.14","0.15","325","2","325.15","","","","","","","","","5","B b e m","-B 2 2ab","64","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","0.5","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0741","0.0454","","","0.1136","0.129","","","","","","1.023","","","","has coordinates,has disorder","223242","2020-10-21","18:00:00",""
"7234925","11.2465","0.0003","11.2465","0.0003","11.2217","0.0006","90","","90","","120","","1229.2","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba0.5 Ga0.33 I2 O6 -","- Ba0.5 Ga0.333333 I2 O6 -","- Ba4.5 Ga3 I18 O54 -","9","0.5","","Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai","Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12","CrystEngComm","2019","21","33","4981","","10.1039/C9CE00814D","","","0.71073","MoKα","","0.0409","0.0397","","","0.0941","0.0948","","","","","","1.083","","","","has coordinates","223244","2020-10-21","18:00:00",""
"7234926","12.5378","0.0017","12.7153","0.0017","21.843","0.003","90","","102.085","0.004","90","","3405.1","0.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H26 Cd N4 O7 -","- C41 H26 Cd N4 O7 -","- C164 H104 Cd4 N16 O28 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0756","0.0467","","","0.0989","0.1119","","","","","","0.974","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234927","9.9901","0.0009","10.2697","0.001","21.862","0.002","86.042","0.002","87.985","0.002","63.233","0.002","1997.8","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cd3 N4 O16 -","- C43 H30 Cd3 N4 O16 -","- C86 H60 Cd6 N8 O32 -","2","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.05","0.0389","","","0.0992","0.109","","","","","","1.04","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234928","9.7767","0.0008","10.1909","0.0008","12.5613","0.001","66.905","0.001","74.382","0.002","71.258","0.002","1075.35","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","1","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0282","0.0252","","","0.067","0.0692","","","","","","1.075","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234929","9.6398","0.0008","12.1917","0.0011","25.562","0.002","90","","90","","90","","3004.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C132 H88 Cd4 N16 O32 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0449","0.0365","","","0.0671","0.071","","","","","","1.014","","","","has coordinates,has disorder","223245","2020-10-21","18:00:00",""
"7234930","14.0389","0.001","13.765","0.0009","28.8767","0.0018","90","","98.241","0.001","90","","5522.7","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H46 Cd3 N8 O16 -","- C58 H46 Cd3 N8 O16 -","- C232 H184 Cd12 N32 O64 -","4","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0318","0.0267","","","0.0577","0.0597","","","","","","1.058","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234931","21.5195","0.0007","8.8433","0.0003","16.5517","0.0005","90","","90.697","0.003","90","","3149.61","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I5 O3 -","- C9 H7 I5 O3 -","- C72 H56 I40 O24 -","8","2","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0386","0.0266","","","0.0499","0.0547","","","","","","1.02","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234932","37.861","0.003","9.2563","0.0005","9.274","0.0005","90","","90","","90","","3250.1","0.4","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H4 I5 K O4 -","- C7 I5 K O4 -","- C56 I40 K8 O32 -","8","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.0834","0.0859","","","","","","1.109","","","","has coordinates,has disorder","223246","2020-10-21","18:00:00",""
"7234933","17.9973","0.0006","11.054","0.0005","10.3194","0.0004","90","","90","","90","","2052.96","0.14","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 I5 N O2 -","- C13 H16 I5 N O2 -","- C52 H64 I20 N4 O8 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0417","0.0385","","","0.0856","0.0874","","","","","","1.107","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234934","8.2333","0.0004","15.4642","0.0009","20.9533","0.0009","90","","90","","90","","2667.8","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 I5 N2 O3 -","- C19 H29 I5 N2 O3 -","- C76 H116 I20 N8 O12 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0383","0.0322","","","0.0584","0.0614","","","","","","1.021","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234935","8.324","0.0004","16.4369","0.0006","9.5423","0.0004","90","","98.004","0.004","90","","1292.87","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 I5 N O2 -","- C19 H28 I5 N O2 -","- C38 H56 I10 N2 O4 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0332","0.0314","","","0.069","0.07","","","","","","1.064","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234936","7.006","0.005","9.684","0.005","11.987","0.005","69.91","0.005","89.44","0.005","84.97","0.005","760.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cl4 N3 O Sn -","- C9 H13 Cl4 N3 O Sn -","- C18 H26 Cl8 N6 O2 Sn2 -","2","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.1083","0.0743","","","0.1708","0.204","","","","","","1.061","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234937","7.0873","0.0002","18.2022","0.0006","20.2832","0.0007","90","","90","","90","","2616.62","0.15","290","2","290","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H18 Cl6 N4 O2 Sn -","- C18 H18 Cl6 N4 O2 Sn -","- C72 H72 Cl24 N16 O8 Sn4 -","4","0.25","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.0628","0.0474","","","0.1185","0.13","","","","","","1.052","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234938","8.472","0.0011","20.459","0.003","7.199","0.0016","90","","96.958","0.016","90","","1238.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.1063","0.0521","","","0.1136","0.1407","","","","","","1.058","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234939","11.7417","0.0014","9.6253","0.0015","22.1211","0.0015","90","","99.154","0.008","90","","2468.2","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 N3 O3 -","- C25 H41 N3 O3 -","- C100 H164 N12 O12 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.0746","0.0482","","","0.1033","0.1187","","","","","","1.027","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234940","17.8761","0.0015","20.1749","0.0011","31.536","0.003","90","","104.661","0.008","90","","11003.1","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 N8 O7 -","- C54 H90 N8 O7 -","- C432 H720 N64 O56 -","8","2","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.136","0.076","","","0.1947","0.2331","","","","","","1.052","","","","has coordinates,has disorder","223248","2020-10-21","18:00:00",""
"7234941","34.2069","0.0007","57.0341","0.0009","12.1673","0.0002","90","","90","","90","","23737.9","0.7","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72.79 H45.79 Fe3 N4.36 O13 S6 -","- C72.79 H45.79 Fe3 N4.358 O13 S6 -","- C582.32 H366.32 Fe24 N34.864 O104 S48 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","x-ray","0.6889","Synchrotron","","0.1221","0.1143","","","0.3166","0.3262","","","","","","1.37","","","","has coordinates,has disorder","223249","2020-10-21","18:00:00",""
"7234942","41.3632","0.0011","18.7393","0.0004","17.7052","0.0004","90","","90","","90","","13723.6","0.6","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22.86 H14.62 N0.6 O8.12 Zn2 -","- C22.863 H14.609 N0.595 O8.121 Zn2 -","- C365.808 H233.744 N9.52 O129.936 Zn32 -","16","2","","Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes","CrystEngComm","2019","21","31","4578","","10.1039/C9CE00759H","","","0.71073","MoKα","","0.0847","0.07","","","0.17","0.1791","","","","","","1.062","","","","has coordinates,has disorder","223250","2020-10-21","18:00:00",""
"7234943","14.223","0.002","19.574","0.003","19.197","0.003","90","","90","","90","","5344.5","1.4","103","2","103","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C19 H24 B Cu3 N9 S3 W -","- C19 H24 B Cu3 N9 S3 W -","- C152 H192 B8 Cu24 N72 S24 W8 -","8","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.0523","0.0439","","","0.1551","0.1614","","","","","","1.077","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234944","19.2754","0.0019","18.5717","0.0018","19.6406","0.0019","90","","90","","90","","7030.9","1.2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C188 H236 B8 Cu24 N76 O4 S24 W8 -","4","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.04","0.0286","","","0.0826","0.0946","","","","","","1.135","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234945","19.161","0.003","22.823","0.004","19.486","0.003","90","","90","","90","","8521","2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C28 H35 B Cu3 N10 O S3 W -","- C28 H35 B Cu3 N10 O S3 W -","- C224 H280 B8 Cu24 N80 O8 S24 W8 -","8","1","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.1388","0.0877","","","0.2194","0.2557","","","","","","1.056","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234946","14.3757","0.0017","14.3757","0.0017","14.3757","0.0017","90","","90","","90","","2970.9","0.6","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C24 H9 N3 O18 Sc2 -","- C24 H9 N3 O18 Sc2 -","- C96 H36 N12 O72 Sc8 -","4","0.166667","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0439","0.0395","","","0.1115","0.1142","","","","","","1.129","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234947","22.401","0.003","22.401","0.003","11.964","0.002","90","","90","","90","","6003.6","1.5","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H5 N O5 Sc -","- C8 H5 N O5 Sc -","- C128 H80 N16 O80 Sc16 -","16","0.5","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0692","0.0649","","","0.2007","0.2042","","","","","","1.223","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234948","13.9899","0.0004","13.9899","0.0004","13.9899","0.0004","90","","90","","90","","2738.07","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 N3 O12 Sc2 -","- C24 H15 N3 O12 Sc2 -","- C96 H60 N12 O48 Sc8 -","4","0.333333","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0464","0.0348","","","0.0655","0.0682","","","","","","0.946","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234949","17.5069","0.0007","17.4747","0.0006","14.4628","0.0005","90","","109.016","0.001","90","","4183.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N8 O11 -","- C41 H39 Cd2 N8 O11 -","- C164 H156 Cd8 N32 O44 -","4","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0748","0.0469","","","0.1069","0.1199","","","","","","1.012","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234950","11.28","0.003","12.21","0.003","25.674","0.006","88.707","0.003","80.776","0.002","71.884","0.003","3315.9","1.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","1","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.111","0.056","","","0.1219","0.1397","","","","","","0.977","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234951","26.7899","0.0014","9.0952","0.0005","25.996","0.0013","90","","90","","90","","6334.2","0.6","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C132 H108 N20 Ni4 O24 -","- C132 H108 N20 Ni4 O24 -","- C264 H216 N40 Ni8 O48 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1139","0.0924","","","0.1876","0.1976","","","","","","1.193","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234952","45.4283","0.0015","9.7068","0.0003","21.2371","0.0007","90","","109.192","0.001","90","","8844.3","0.5","190","","190.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Mn8 N32 O44 -","- C168 H168 Mn8 N32 O44 -","- C336 H336 Mn16 N64 O88 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1152","0.0882","","","0.2375","0.2588","","","","","","1.05","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234953","33.1406","0.0009","33.1406","0.0009","37.1579","0.0009","90","","90","","120","","35342.9","1.6","150.15","","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H32 N8 Ni2 O9 -","- C37.656 H25.656 N7 Ni2 O8 -","- C677.808 H461.808 N126 Ni36 O144 -","18","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0711","0.0497","","","0.1214","0.1283","","","","","","1.028","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234954","8.3695","0.0003","9.5289","0.0004","10.7213","0.0004","92.4","0.002","94.961","0.002","91.395","0.002","850.76","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 B F4 N S6 -","- C13 H7 B F4 N S6 -","- C26 H14 B2 F8 N2 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0359","0.0281","","","0.0661","0.0686","","","","","","1.045","","","","has coordinates","223271","2020-10-21","18:00:00",""
"7234955","7.1297","0.0003","11.6789","0.0004","12.491","0.0004","98.522","0.001","92.306","0.001","100.265","0.002","1009.77","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 N6 Ni S16 -","- C34 H14 N6 Ni S16 -","- C34 H14 N6 Ni S16 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0383","0.0298","","","0.0695","0.0725","","","","","","1.026","","","","has coordinates,has disorder","223271","2020-10-21","18:00:00",""
"7234956","8.5243","0.0004","9.529","0.0005","10.5733","0.0005","84.939","0.002","82.003","0.002","84.714","0.002","844.4","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl N O4 S6 -","- C13 H7 Cl N O4 S6 -","- C26 H14 Cl2 N2 O8 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0472","0.0354","","","0.0874","0.093","","","","","","1.013","","","","has coordinates","223271","2020-10-21","18:00:00",""
"7234957","7.0948","0.0005","11.7077","0.0008","12.6897","0.001","99.134","0.002","91.941","0.004","99.753","0.002","1023.65","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Au N6 S16 -","- C34 H14 Au N6 S16 -","- C34 H14 Au N6 S16 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0416","0.034","","","0.0697","0.0723","","","","","","1.035","","","","has coordinates,has disorder","223271","2020-10-21","18:00:00",""
"7234958","10.917","0.002","11.636","0.002","13.446","0.003","89.384","0.003","79.203","0.003","84.122","0.003","1668.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N4 O11 Zn2 -","- C36 H24 N4 O11 Zn2 -","- C72 H48 N8 O22 Zn4 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0803","0.0418","","","0.0896","0.0982","","","","","","1.026","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234959","9.9092","0.0015","10.9883","0.0016","12.2949","0.0018","66.678","0.002","70.06","0.002","84.85","0.002","1154.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C52 H32 Cd2 N4 O18 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0294","0.0264","","","0.0892","0.0928","","","","","","0.976","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234960","10.0899","0.0013","19.568","0.003","19.173","0.002","90","","94.124","0.002","90","","3775.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cd2 N4 O11 -","- C40 H34 Cd2 N4 O11 -","- C160 H136 Cd8 N16 O44 -","4","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0402","0.0291","","","0.0662","0.0696","","","","","","0.997","","","","has coordinates","223272","2020-10-21","18:00:00",""
"7234961","10.2873","0.0012","11.9666","0.0014","15.7978","0.0018","71.816","0.002","87.414","0.002","87.665","0.002","1845","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O13 Zn2 -","- C40 H28 N4 O13 Zn2 -","- C80 H56 N8 O26 Zn4 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0729","0.0475","","","0.1204","0.1297","","","","","","0.959","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234962","11.0786","0.0014","11.1584","0.0015","12.1289","0.0016","110.499","0.002","99.773","0.002","108.381","0.002","1264.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Cd2 N3 O10 -","- C26 H17 Cd2 N3 O10 -","- C52 H34 Cd4 N6 O20 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0259","0.0224","","","0.0585","0.0601","","","","","","1.065","","","","has coordinates","223272","2020-10-21","18:00:00",""
"7234963","10.7764","0.0008","11.1622","0.0008","17.2141","0.0013","104.681","0.001","99.18","0.001","97.213","0.001","1947.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 Cd4 O29 -","- C32 H32 Cd4 O29 -","- C64 H64 Cd8 O58 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0248","0.0225","","","0.056","0.0571","","","","","","1.023","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234964","5.8783","0.0005","10.3023","0.001","10.5662","0.001","71.108","0.011","78.415","0.011","74.975","0.011","579.92","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cd N3 S2 -","- C8 H7 Cd N3 S2 -","- C16 H14 Cd2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.043","0.0359","","","0.0869","0.0906","","","","","","1.003","","","","has coordinates,has disorder","257461","2020-10-21","18:00:00",""
"7234965","20.2576","0.0008","9.3191","0.0003","19.2831","0.0006","90","","116.135","0.002","90","","3268.1","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C112 H112 Fe8 N32 S16 -","8","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0098","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234966","10.2833","0.0006","12.3146","0.0006","7.686","0.0003","90","","103.823","0.004","90","","945.13","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe N4 O2 S2 -","- C14 H14 Fe N4 O2 S2 -","- C28 H28 Fe2 N8 O4 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0218","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234967","5.83966","0.00012","17.8924","0.0004","8.63648","0.00018","90","","108.751","0.0015","90","","854.49","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0172","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234968","5.6544","0.0004","10.3052","0.0008","10.4498","0.0007","70.083","0.005","78.969","0.007","75.518","0.004","550.52","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Fe N3 S2 -","- C8 H4 Fe N3 S2 -","- C16 H8 Fe2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0146","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234969","27.693","0.003","27.693","0.003","11.1885","0.001","90","","90","","120","","7430.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C234 H252 Fe9 N54 S18 -","9","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.1073","0.0676","","","0.1526","0.171","","","","","","1.04","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234970","11.2219","0.0019","17.954","0.002","9.0559","0.0014","90","","112.725","0.007","90","","1682.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C56 H56 Fe4 N16 S8 -","4","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0101","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7235001","11.1391","0.0003","15.8666","0.0004","17.4481","0.0005","90","","106.734","0.0012","90","","2953.18","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O8 -","- C30 H28 Cd N4 O8 -","- C120 H112 Cd4 N16 O32 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0499","0.0419","","","0.111","0.1181","","","","","","1.047","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235002","10.1473","0.0002","20.5033","0.0003","15.2045","0.0002","90","","93.378","0.0006","90","","3157.85","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd N4 O8 -","- C32 H34 Cd N4 O8 -","- C128 H136 Cd4 N16 O32 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0363","0.0311","","","0.0863","0.0901","","","","","","1.037","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235003","9.1676","0.0003","19.6407","0.0005","26.0274","0.0007","90","","94.9992","0.0009","90","","4668.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cd2 N4 O13 -","- C44 H38 Cd2 N4 O13 -","- C176 H152 Cd8 N16 O52 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0643","0.0488","","","0.1164","0.1238","","","","","","1.159","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235005","9.4804","0.0011","10.7188","0.0011","14.0027","0.0015","72.559","0.005","82.036","0.006","78.107","0.006","1323.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cu N4 O9 -","- C26 H30 Cu N4 O9 -","- C52 H60 Cu2 N8 O18 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.1431","0.0626","","","0.1458","0.1899","","","","","","1.038","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235006","7.9957","0.0009","12.0271","0.0011","12.697","0.0014","94.074","0.005","97.486","0.006","108.309","0.005","1141.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu N5 O7 -","- C24 H21 Cu N5 O7 -","- C48 H42 Cu2 N10 O14 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.091","0.0497","","","0.1168","0.1437","","","","","","1.04","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235007","8.2633","0.0005","7.4357","0.0004","19.1577","0.0012","90","","99.821","0.002","90","","1159.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cu0.5 N2 O4 -","- C12 H13 Cu0.5 N2 O4 -","- C48 H52 Cu2 N8 O16 -","4","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.0794","0.0484","","","0.1114","0.1277","","","","","","1.074","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235008","9.069","0.006","12.511","0.01","12.708","0.009","116.23","0.06","91.24","0.06","97.94","0.06","1275.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl Cu N4 O7 -","- C24 H27 Cl Cu N4 O7 -","- C48 H54 Cl2 Cu2 N8 O14 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.2057","0.0799","","","0.1897","0.2632","","","","","","1.024","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7235009","8.998","0.003","19.758","0.005","12.654","0.004","90","","98.021","0.009","90","","2227.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl2 Cu2 N8 O8 -","- C24 H21 Cl Cu N4 O4 -","- C96 H84 Cl4 Cu4 N16 O16 -","4","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.166","0.0685","","","0.1543","0.2084","","","","","","1.02","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235010","9.3667","0.0007","9.5064","0.0007","15.1076","0.0011","84.047","0.002","75.365","0.002","79.476","0.002","1277.35","0.16","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu N4 O4 Pb S2 -","- C23 H28 Cu N4 O4 Pb S2 -","- C46 H56 Cu2 N8 O8 Pb2 S4 -","2","1","","Mirdya, Saikat; Banerjee, Snehasis; Chattopadhyay, Shouvik","An insight into the non-covalent Pb⋯S and S⋯S interactions in the solid-state structure of a hemidirected lead(ii) complex","CrystEngComm","2020","22","2","237","247","10.1039/C9CE01548E","","","0.71073","MoKα","","0.0287","0.0258","","","0.0638","0.0652","","","","","","1.076","","","","has coordinates","257463","2020-10-21","18:00:00",""
"7235070","5.7721","0.0007","12.3373","0.0015","24.977","0.003","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0319","0.0275","","","0.0626","0.0648","","","","","","1.045","","","","has coordinates","227779","2020-10-21","18:00:00",""
"7235071","11.8073","0.0017","5.8122","0.0008","13.3488","0.0019","90","","97.844","0.002","90","","907.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N3 O4 -","- C18 H18 F3 N3 O4 -","- C36 H36 F6 N6 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0568","0.0514","","","0.1364","0.1409","","","","","","1.062","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235072","9.2716","0.0009","5.2277","0.0005","20.3473","0.0019","90","","102.235","0.001","90","","963.82","0.16","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl2 N2 O4 -","- C19 H20 Cl2 N2 O4 -","- C38 H40 Cl4 N4 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0307","0.0278","","","0.065","0.0667","","","","","","1.045","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235073","13.97927","0.00015","8.5583","0.0001","14.15242","0.00018","90","","94.8011","0.0006","90","","1687.24","0.03","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Samarium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Sm2 Sr3 -","- Ge6 O18 Sm2.0007 Sr2.9993 -","- Ge24 O72 Sm8.0028 Sr11.9972 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02579","","1.56","","","","","","","has coordinates","227782","2020-10-21","18:00:00",""
"7235074","14.13472","0.00007","8.1969","0.00005","15.59089","0.0001","90","","90.9492","0.0005","90","","1806.13","0.018","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Praseodymium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Pr2 Sr3 -","- Ge6 O18 Pr2.0014 Sr2.9986 -","- Ge24 O72 Pr8.0056 Sr11.9944 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02287","","1.93","","","","","","","has coordinates","227783","2020-10-21","18:00:00",""
"7235075","13.95607","0.00019","8.56647","0.00013","14.03679","0.00023","90","","95.1018","0.0008","90","","1671.51","0.04","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Gadolinium Germanate","Tristrontium Bidysprosium Bisilicate","","- Gd2 Ge6 O18 Sr3 -","- Gd1.9996 Ge6 O18 Sr3.0004 -","- Gd7.9984 Ge24 O72 Sr12.0016 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03421","","1.95","","","","","","","has coordinates","227785","2020-10-21","18:00:00",""
"7235076","14.18247","0.00008","8.24753","0.00005","15.65517","0.0001","90","","90.6279","0.0004","90","","1831.08","0.019","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Lanthanum Germanate","","","- Ge6 La2 O18 Sr3 -","- Ge6 La2.001 O18 Sr2.999 -","- Ge24 La8.004 O72 Sr11.996 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02564","","1.43","","","","","","","has coordinates","227786","2020-10-21","18:00:00",""
"7235077","13.97546","0.00022","8.56246","0.00015","14.08676","0.00027","90","","94.9703","0.0009","90","","1679.34","0.05","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Europium Germanate","Tristrontium Bidysprosium Bisilicate","","- Eu2 Ge6 O18 Sr3 -","- Eu2 Ge6 O18 Sr3 -","- Eu8 Ge24 O72 Sr12 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03945","","2.03","","","","","","","has coordinates","227787","2020-10-21","18:00:00",""
"7235078","14.514","0.001","4.8442","0.0019","19.19","0.006","90","","120.54","0.02","90","","1162.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N8 Zn -","- C32 H16 N8 Zn -","- C64 H32 N16 Zn2 -","2","0.5","","Li, Dapeng; Ge, Suxiang; Yuan, Tianci; Gong, Jingjing; Huang, Baojun; Tie, Weiwei; He, Weiwei","Green synthesis and characterization of crystalline zinc phthalocyanine and cobalt phthalocyanine prisms by a simple solvothermal route","CrystEngComm","2018","20","19","2749","","10.1039/C8CE00215K","","","0.71073","MoKα","","0.0598","0.0402","","","0.0778","0.0837","","","","","","1.047","","","","has coordinates","227791","2020-10-21","18:00:00",""
"7235079","5.9014","0.0004","9.2693","0.0007","9.5123","0.0007","85.902","0.004","77.676","0.005","85.588","0.006","506.03","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C5 Li N O6 P2 -","- C5 Li N O6 P2 -","- C10 Li2 N2 O12 P4 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","powder diffraction","x-ray","0.18972","","","","","","","","","0.06962","","12.37","","","","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235080","7.7178","0.0001","33.0373","0.0004","11.7577","0.0001","90","","103.709","0.001","90","","2912.52","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H42 K2 N2 O20 P4 -","- C10 H42 K2 N2 O20 P4 -","- C40 H168 K8 N8 O80 P16 -","4","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0393","0.0287","","","0.0666","0.0714","","","","","","1.036","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235081","5.9728","0.0006","9.4557","0.0009","11.0182","0.0011","74.418","0.007","76.17","0.007","84.313","0.007","581.62","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0903","0.0578","","","0.1399","0.1596","","","","","","0.985","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235082","7.6682","0.0001","11.5335","0.0001","18.0768","0.0002","97.378","0.001","94.792","0.001","101.705","0.001","1542.61","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H48 N2 Na2 O23 P4 -","- C10 H48 N2 Na2 O23 P4 -","- C20 H96 N4 Na4 O46 P8 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0527","0.0368","","","0.0905","0.0981","","","","","","1.052","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235083","6.1431","0.0001","14.1093","0.0002","28.9515","0.0004","90","","94.016","0.001","90","","2503.2","0.06","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H35 N2 O16 P4 Rb -","- C10 H35 N2 O16 P4 Rb -","- C40 H140 N8 O64 P16 Rb4 -","4","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0436","0.0328","","","0.0791","0.0838","","","","","","1.039","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235084","6.0072","0.0002","7.6864","0.0002","14.825","0.0004","86.677","0.002","78.906","0.002","67.611","0.002","621.01","0.03","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.058","0.0344","","","0.0676","0.0759","","","","","","1.024","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235085","13.7405","0.0007","10.3343","0.0006","12.1024","0.0007","90","","90","","90","","1718.52","0.17","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- water (1/8)]","","- C20 H36 Cl4 Cu2 N20 O8 -","- C20 H20 Cl4 Cu2 N20 O7.9998 -","- C40 H40 Cl8 Cu4 N40 O15.9996 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1138","0.0521","","","0.1039","0.1118","","","","","","0.915","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235086","10.6365","0.0002","13.2099","0.0001","7.3378","0.0001","90","","110.057","0.002","90","","968.48","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tetraaquabis(6-chloropurinato-kN9)cobalt(II)] dihydrate","","- C10 H20 Cl2 Co N8 O8 -","- C10 H20 Cl2 Co N8 O8 -","- C20 H40 Cl4 Co2 N16 O16 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0276","0.025","","","0.0602","0.0617","","","","","","1.075","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235087","7.8461","0.0005","8.759","0.0005","13.1716","0.0008","79.157","0.005","77.23","0.005","78.526","0.005","855.28","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(guanine-KN9)bis(guaninium-KN9)bis(mu-chlorido)bis(chlorido)aquadicopper(II)tetrachloridocuprate(II)","","- C20 H24 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","1.54184","CuKα","","0.0744","0.056","","","0.1487","0.1629","","","","","","1.05","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235088","11.388","0.0014","6.7307","0.0007","14.9009","0.0019","90","","109.96","0.014","90","","1073.5","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","[tetraaquabis(9-methyladenine-kN7)cobalt(II)] chloride dihydrate","","- C12 H26 Cl2 Co N10 O6 -","- C12 H26 Cl2 Co N10 O6 -","- C24 H52 Cl4 Co2 N20 O12 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0287","0.026","","","0.06","0.0618","","","","","","1.07","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235089","7.203","0.002","9.52","0.003","9.659","0.004","82.49","0.02","69.47","0.02","77.59","0.04","604.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","(mu-adenine-1kN3:3kN9)(mu-adenine-2kN3:3kN9)bis(mu-chlorido-1kCl:3kCl)bis(mu-chlorido-2kCl:3kCl)di(chlorido-1kCl,2kCl)tetra(aqua-1k2O,2k2O)tricobalt(II)dihydrate","","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0388","0.0288","","","0.0666","0.0681","","","","","","0.96","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235090","7.3349","0.0008","8.5513","0.0008","16.8119","0.0012","94.649","0.007","93.046","0.007","99.041","0.008","1035.64","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[tetrakis(mu-acetato-kO:kO')(mu-9-methyladenine-kN1:kN7)dicopper(II)].methanol (1/1)","","- C15 H23 Cu2 N5 O9 -","- C15 H23 Cu2 N5 O9 -","- C30 H46 Cu4 N10 O18 -","2","1","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1019","0.0635","","","0.108","0.1231","","","","","","1.083","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235091","5.9273","0.0002","8.7713","0.0005","28.0747","0.0015","90","","90","","90","","1459.61","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-naproxen ethanol solvate","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; ethanol","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.71073","MoKα","","0.0513","0.0424","","","0.1029","0.1103","","","","","","1.099","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235092","5.84172","0.00009","8.98394","0.00013","45.6816","0.0008","90","","90","","90","","2397.45","0.07","407","","407","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen L-proline 1:2 cocrystal","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;tetrakis((2S)-pyrrolidine-2-carboxylic acid);","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.708","synchrotron","","","","","","","","","4.228","4.12","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235093","12.9532","0.0004","5.76337","0.00015","25.2764","0.0006","90","","93.984","0.003","90","","1882.43","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 RS-naproxen D-proline cocrystal methanol solvate","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid; bis((2R)-pyrrolidine-2-carboxylic acid); (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; methanol","","- C39 H50 N2 O11 -","- C39 H50 N2 O11 -","- C78 H100 N4 O22 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0593","0.0514","","","0.1428","0.1532","","","","","","1.04","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235094","34.537","0.004","9.0077","0.0008","5.7183","0.0005","90","","90","","90","","1779","0.3","428","","428","","","","","","","","","4","P n a 21","P 2c -2n","33","RS-naproxen DL-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","8.76","72.47","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235095","8.84337","0.00019","5.8351","0.00015","33.6766","0.0007","90","","91.9839","0.0019","90","","1736.74","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen DL-proline 1:1 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) 2R)-pyrrolidin-1-ium-2-carboxylate 2S)-pyrrolidin-1-ium-2-carboxylate","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.052","0.0474","","","0.127","0.1336","","","","","","1.035","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235096","5.8836","0.0007","9.0952","0.0018","44.047","0.01","90","","90","","90","","2357.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen DL-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.1036","0.0607","","","0.122","0.1475","","","","","","0.979","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235097","5.7018","0.0001","18.8609","0.0003","37.2392","0.0005","90","","90","","90","","4004.74","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 2:3 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) tris((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C43 H55 N3 O12 -","- C43 H55 N3 O12 -","- C172 H220 N12 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.82656","synchrotron","","0.0937","0.0642","","","0.1443","0.1729","","","","","","0.954","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235098","6.06468","0.00013","12.2629","0.0003","50.629","0.0015","90","","90","","90","","3765.31","0.17","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 S-naproxen DL-proline cocrystal hydrate","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid); (2R)-pyrrolidin-1-ium-2-carboxylate; (2S)-pyrrolidin-1-ium-2-carboxylate; water","","- C38 H50 N2 O12 -","- C38 H50 N2 O12 -","- C152 H200 N8 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.798","synchrotron","","","","","","","","","2.59","22.67","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235099","5.8816","0.00007","8.79809","0.0001","45.4679","0.0005","90","","90","","90","","2352.82","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0415","0.0404","","","0.1094","0.111","","","","","","1.034","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235100","16.2991","0.0007","5.8654","0.0003","18.6876","0.0009","90","","100.052","0.004","90","","1759.12","0.15","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen L-proline 1:1 cocrystal, polymorph II","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.776188","synchrotron","","","","","","","","","16.66","22.3","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235101","12.5901","0.0006","5.7587","0.0003","51.425","0.003","90","","90","","90","","3728.4","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen D-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C152 H184 N8 O40 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","1.0007","synchrotron","","","","","","","","","12.489","36.98","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235102","12.1578","0.0005","5.8278","0.0002","25.6828","0.0014","90","","98.762","0.005","90","","1798.47","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen D-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph I","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0756","0.064","","","0.1847","0.1964","","","","","","1.058","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235103","9.9964","0.0003","9.0958","0.0004","39.9654","0.0015","90","","90","","90","","3633.9","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RS-naproxen DL-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylatepolymorph I","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0579","0.0397","","","0.0952","0.1074","","","","","","1.06","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235104","12.705","0.002","5.7631","0.0008","25","0.005","90","","95.041","0.011","90","","1823.4","0.5","402","","402","","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen L-proline 1:1 cocrystal, polymorph III","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","7.117","62.48","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235105","13.7835","0.0012","8.0156","0.0007","18.7113","0.0016","90","","107.462","0.001","90","","1972","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cimetidinium fumarate acetonitrile solvate","","- C15 H21.5 N6.5 O4 S -","- C15 H21.5 N6.5 O4 S -","- C60 H86 N26 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","","","0.71073","MoKα","","0.0452","0.0373","","","0.0902","0.0942","","","","","","1.041","","","","has coordinates,has disorder","227796","2020-10-21","18:00:00",""
"7235106","7.90643","0.00032","8.3568","0.0004","14.2156","0.0005","87.61","0.0033","75.2582","0.003","76.179","0.005","881.86","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","cimetidinium fumarate","cimetidinium fumarate polymorph 1","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C28 H40 N12 O8 S2 -","2","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.08581","","1.41","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7235107","13.77","0.001","8.0432","0.0005","18.9493","0.001","90","","107.419","0.004","90","","2002.5","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cimetidinium fumarate","cimetidinium fumarate polymorph 2","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C56 H80 N24 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05417","","1.14","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7235108","16.537","0.004","10.001","0.004","12.295","0.003","90","","99.96","0.03","90","","2002.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian","Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals","CrystEngComm","2020","22","1","61","67","10.1039/C9CE01447K","","","1.54184","CuKα","","0.3876","0.1668","","","0.391","0.5023","","","","","","1.003","","","","has coordinates,has disorder","257437","2020-10-21","18:00:00",""
"7235142","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O149.5 S16 -","- C313 H317 N24 O149.5 S16 -","- C1252 H1268 N96 O598 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.2282","0.1837","","","0.4178","0.4651","","","","","","1.627","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235143","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O77 S16 -","- C313 H317 N24 O77 S16 -","- C1252 H1268 N96 O308 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.1191","0.0831","","","0.2284","0.2815","","","","","","0.94","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235172","7.1235","0.0002","11.1935","0.0004","11.6744","0.0004","90","","97.716","0.001","90","","922.45","0.05","173.15","","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H18 Cl4 Cu N4 O -","- C14 H18 Cl4 Cu N4 O -","- C28 H36 Cl8 Cu2 N8 O2 -","2","1","","Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao","Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O","CrystEngComm","2020","22","3","587","592","10.1039/C9CE01607D","","","1.54178","CuKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.121","","","","has coordinates","257487","2020-10-21","18:00:00",""
"7235203","6.7858","0.0002","8.7123","0.0002","18.1329","0.0004","99.099","0.002","91.152","0.002","97.907","0.002","1047.5","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N5 -","- C28 H15 N5 -","- C56 H30 N10 -","2","1","","Mandal, Arkalekha; Choudhury, Anwesha; Kumar, Rahul; Iyer, Parameswar Krishnan; Mal, Prasenjit","Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ","CrystEngComm","2020","22","4","720","727","10.1039/C9CE01507H","","","1.54184","CuKα","","0.1352","0.1199","","","0.2771","0.2819","","","","","","1.021","","","","has coordinates","257457","2020-10-21","18:00:00",""
"7235204","17.0495","0.001","9.9661","0.0008","18.6572","0.0017","90","","115.397","0.006","90","","2863.8","0.4","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I2 N4 Ru -","- C20 H36 I2 N4 Ru -","- C80 H144 I8 N16 Ru4 -","4","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0755","0.0398","","","0.0884","0.1056","","","","","","0.874","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235205","9.19","0.0005","9.434","0.002","13.143","0.003","88.54","0.02","69.663","0.012","86.654","0.016","1066.6","0.3","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0737","0.036","","","0.0779","0.0914","","","","","","0.916","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235206","9.3125","0.0004","9.3992","0.0004","12.7543","0.0005","71.759","0.001","81.883","0.002","80.6","0.002","1041.2","0.08","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0817","0.068","","","0.2074","0.2633","","","","","","1.138","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235207","12.2003","0.0004","17.9075","0.0007","7.4507","0.0003","90","","99.935","0.001","90","","1603.4","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0352","0.0286","","","0.0576","0.0596","","","","","","1.26","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235208","12.1215","0.0004","17.8414","0.0006","7.3462","0.0002","90","","99.739","0.001","90","","1565.83","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0249","0.0219","","","0.046","0.047","","","","","","1.105","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235209","4.3401","0.0001","16.4262","0.0005","30.145","0.0011","90","","93.037","0.003","90","","2146.06","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 I3 O4 Pd -","- C16 H14 F3 I3 O4 Pd -","- C64 H56 F12 I12 O16 Pd4 -","4","1","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","x-ray","0.71073","MoKα","","0.0388","0.0344","","","0.0618","0.0633","","","","","","1.176","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235210","12.2282","0.0005","17.9253","0.0007","7.4916","0.0003","90","","99.941","0.001","90","","1617.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0403","0.0314","","","0.0723","0.0769","","","","","","1.055","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235211","12.1462","0.0004","17.866","0.0006","7.3776","0.0002","90","","99.848","0.001","90","","1577.38","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0262","0.0228","","","0.0477","0.0489","","","","","","1.143","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235212","12.1714","0.0004","17.8866","0.0006","7.4115","0.0003","90","","99.909","0.001","90","","1589.45","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0325","0.0269","","","0.0544","0.0561","","","","","","1.211","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235213","7.6304","0.0005","17.6827","0.0013","17.7371","0.0011","90","","90","","90","","2393.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O12 -","- C20 H20 Co N6 O12 -","- C80 H80 Co4 N24 O48 -","4","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.1301","0.073","","","0.1376","0.1607","","","","","","1.111","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235214","8.9683","0.0015","3.8091","0.0007","14.749","0.003","90","","91.476","0.013","90","","503.68","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.54178","CuKα","","0.1054","0.0696","","","0.2046","0.2481","","","","","","1.101","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235215","6.9152","0.0003","18.3958","0.0008","7.2525","0.0003","90","","115.199","0.002","90","","834.8","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.0518","0.045","","","0.1215","0.1289","","","","","","1.056","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235220","9.18848","0.00015","18.3718","0.0002","19.6091","0.00018","98.7879","0.0009","92.6442","0.001","97.7172","0.0013","3234.19","0.07","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H78 O14 -","- C80 H78 O14 -","- C160 H156 O28 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.0872","0.0802","","","0.2322","0.2417","","","","","","1.029","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235221","11.97202","0.00019","12.277","0.00018","12.64035","0.00017","90","","90","","90","","1857.88","0.05","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","0.5","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.048","0.0453","","","0.127","0.1307","","","","","","1.05","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235222","10.2344","0.0008","33.477","0.002","11.5077","0.001","90","","93.536","0.007","90","","3935.2","0.5","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 N4 O11 -","- C42 H42 N4 O11 -","- C168 H168 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.2056","0.1064","","","0.2472","0.2994","","","","","","0.995","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235223","14.3333","0.0005","11.8876","0.0004","16.9672","0.0006","90","","96.463","0.003","90","","2872.64","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71073","MoKα","","0.0957","0.053","","","0.1046","0.1176","","","","","","1.024","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235224","33.4734","0.001","10.5712","0.0004","11.1961","0.0004","90","","90","","90","","3961.8","0.2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H43 N4 O11 -","- C42 H43 N4 O11 -","- C168 H172 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.0872","0.056","","","0.1358","0.1536","","","","","","1.04","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235225","10.3818","0.0005","10.9676","0.0002","18.7727","0.0005","95.299","0.002","98.714","0.003","91.279","0.003","2102.39","0.12","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44.8 H39.6 N3.6 O8.2 -","- C44.8 H39.6 N3.6 O8.2 -","- C89.6 H79.2 N7.2 O16.4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.1811","0.1379","","","0.3957","0.4352","","","","","","1.586","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235226","12.1391","0.0002","12.7561","0.00012","38.9751","0.0004","90","","90","","90","","6035.2","0.13","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C336 H208 N16 O32 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.099","0.0954","","","0.2882","0.2908","","","","","","1.146","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235227","30.1293","0.0019","30.1293","0.0019","8.9281","0.0006","90","","90","","120","","7018.9","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H24 Cl4 Cu N2 O5 -","- C24 H16 Cu N2 O4 -","- C216 H144 Cu9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0369","0.0339","","","0.1079","0.1094","","","","","","1.106","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235228","8.7775","0.0005","6.8216","0.0005","16.1117","0.0009","90","","105.151","0.002","90","","931.18","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C48 H32 Co2 N4 O8 -","2","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0405","0.0382","","","0.1103","0.1118","","","","","","1.124","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235229","15.516","0.002","17.11","0.002","9.6566","0.0014","90","","95.233","0.003","90","","2552.9","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 N2 O5 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0763","0.0802","","","","","","0.975","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235230","12.4544","0.0014","4.099","0.0005","23.844","0.003","90","","103.822","0.002","90","","1182","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu I N O2 -","- C12 H9 Cu I N O2 -","- C48 H36 Cu4 I4 N4 O8 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.032","0.0273","","","0.069","0.0802","","","","","","1.15","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235231","31.087","0.008","31.087","0.008","8.954","0.002","90","","90","","120","","7494","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 Cl2 Co N2 O6 -","- C24 H16 Co N2 O4 -","- C216 H144 Co9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.1058","0.0538","","","0.1281","0.1465","","","","","","0.944","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235232","10.75","0.003","13.933","0.005","14.348","0.005","73.692","0.012","74.143","0.012","68.269","0.012","1881.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H12 O10 Zn2 -","- C29 H12 O10 Zn2 -","- C58 H24 O20 Zn4 -","2","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1189","0.0653","","","0.1655","0.1807","","","","","","0.864","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235233","18.5664","0.0012","10.3393","0.0006","23.224","0.0013","90","","119.006","0.002","90","","3899","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 N2 O10 Zn2 -","- C39 H34 N2 O10 Zn2 -","- C156 H136 N8 O40 Zn8 -","4","0.5","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1148","0.0826","","","0.2587","0.2831","","","","","","1.101","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235234","13.36","0.004","17.2","0.004","14.314","0.004","90","","94.69","0.01","90","","3278.2","1.5","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26.5 H14 O5 Zn -","- C26.5 H14 O5 Zn -","- C106 H56 O20 Zn4 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71069","MoKα","","0.0763","0.0566","","","0.1568","0.1682","","","","","","0.951","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235235","44.21","0.002","44.21","0.002","44.21","0.002","90","","90","","90","","86410","7","150","2","150","2","","","","","","","","4","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C53.33 H27.08 O9.33 Zn2 -","- C53 H28 O9.33333 Zn2 -","- C2544 H1344 O448 Zn96 -","48","0.25","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1059","0.0546","","","0.1699","0.19","","","","","","1.039","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235241","13.2358","0.0003","15.2794","0.0002","7.8074","0.0002","90","","106.18","0.002","90","","1516.39","0.06","132","2","132","2","","","","","","","","4","C 1 c 1","C -2yc","9","","theobromine-2,3-dihydroxybenzoic acid monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0261","0.026","","","0.0728","0.073","","","","","","1.064","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235242","26.7527","0.0005","14.212","0.0002","7.2608","0.0002","90","","90","","90","","2760.62","0.1","130.9","0.8","130.9","0.8","","","","","","","","4","P b c n","-P 2n 2ab","60","","theobromine-3,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0594","0.0533","","","0.1441","0.1478","","","","","","1.094","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235243","14.4617","0.0003","12.7978","0.0003","15.7666","0.0003","90","","92.3554","0.0017","90","","2915.58","0.11","130.8","0.6","130.8","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine-3,5-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0529","0.047","","","0.1302","0.1354","","","","","","1.075","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235244","15.2976","0.0003","6.845","0.0001","15.93","0.0003","90","","115.911","0.003","90","","1500.38","0.06","131.8","0.3","131.8","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","theobromine 2,6-dihydroxybenzoic acid monohydrate","theobrominium 2,6-dihydroxybenzoate monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.1018","0.1051","","","","","","1.075","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235245","6.8492","0.0003","7.9605","0.0004","14.0276","0.0008","79.391","0.004","78.55","0.004","77.232","0.004","723.16","0.07","130.3","0.4","130.3","0.4","","","","","","","","4","P -1","-P 1","2","","theobromine-2,5-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0556","0.0519","","","0.1499","0.1553","","","","","","1.047","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235246","7.9392","0.0003","6.3569","0.0002","28.7601","0.0007","90","","96.093","0.003","90","","1443.29","0.08","132","1","132","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theobromine-2,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0542","0.0464","","","0.1363","0.1414","","","","","","1.095","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235394","8.152","0.002","20.538","0.005","12.736","0.003","90","","93.44","0.02","90","","2128.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cu3 N10 O20 -","- C34 H46 Cu3 N10 O20 -","- C68 H92 Cu6 N20 O40 -","2","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0594","0.0351","","","0.0903","0.1002","","","","","","1.019","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235395","11.986","0.002","7.6602","0.0014","15.75","0.003","90","","94.123","0.003","90","","1442.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N4 O7 -","- C12 H14 Cu N4 O7 -","- C48 H56 Cu4 N16 O28 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0352","0.0305","","","0.081","0.0847","","","","","","1.047","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235396","12.5445","0.0004","7.3874","0.0003","11.8763","0.0006","90","","111.118","0.001","90","","1026.68","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Co N2 O8 -","- C6 H10 Co N2 O8 -","- C24 H40 Co4 N8 O32 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","1.54178","Cu","","0.0201","0.0198","","","0.0548","0.0551","","","","","","1.091","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235397","8.3425","0.0005","27.164","0.0017","9.5946","0.0006","90","","98.111","0.002","90","","2152.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 N2 O15 -","- C14 H20 Cu2 N2 O15 -","- C56 H80 Cu8 N8 O60 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0426","0.04","","","0.1237","0.1253","","","","","","1.171","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235398","13.1423","0.0003","8.5766","0.0002","15.1489","0.0003","90","","101.323","0.001","90","","1674.29","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","An unprecedented (4,8)-connected net featuring gsp2 topology and containing an exceptional coordination mode of acylamide ligand","CrystEngComm","2014","16","24","5216","","10.1039/c4ce00146j","","","0.71073","MoKα","","0.0277","0.0247","","","0.0646","0.0671","","","","","","1.102","","","","has coordinates","232759","2020-10-21","18:00:00",""
"7235399","8.6936","0.0008","11.192","0.0011","16.621","0.0016","92.087","0.001","105.046","0.001","95.751","0.001","1550.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cr N5 O17 -","- C26 H28 Cr N5 O17 -","- C52 H56 Cr2 N10 O34 -","2","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0401","0.0371","","","0.0978","0.1008","","","","","","1.063","","","","has coordinates,has disorder","232761","2020-10-21","18:00:00",""
"7235400","13.402","0.0002","10.0271","0.0001","19.8799","0.0003","90","","108.994","0.002","90","","2526.07","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr N3 O10 -","- C27 H20 Cr N3 O10 -","- C108 H80 Cr4 N12 O40 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54179","CuKα","","","0.0382","","","","0.1217","","","","","","1.103","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235401","35.1399","0.0009","9.6985","0.0002","18.5587","0.0005","90","","119.555","0.003","90","","5501.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 Cr2 N8 O22.55 -","- C54 H47 Cr2 N8 O22.55 -","- C216 H188 Cr8 N32 O90.2 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54184","CuKα","","","0.0365","","","","0.108","","","","","","1.06","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235402","13.676","0.003","10.0513","0.0019","13.785","0.003","90","","115.251","0.013","90","","1713.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Ni O11 -","- C14 H14 N2 Ni O11 -","- C56 H56 N8 Ni4 O44 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0516","0.0384","","","0.0962","0.1028","","","","","","1.045","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235403","12.328","0.005","16.545","0.007","12.821","0.005","90","","109.19","0.005","90","","2469.7","1.7","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H70 N4 O20 S -","- C50 H70 N4 O20 S -","- C100 H140 N8 O40 S2 -","2","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.085","0.0668","","","0.2","0.2194","","","","","","1.068","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235404","12.72","0.003","39.701","0.01","16.861","0.004","90","","95.212","0.004","90","","8480","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","c2phemimetso4","","","- C84 H110 N6 O27 S3 -","- C84 H104 N6 O27 S3 -","- C336 H416 N24 O108 S12 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.1209","0.0728","","","0.1867","0.2195","","","","","","1.043","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235405","9.9102","0.0015","14.121","0.002","14.877","0.002","91.328","0.002","96.132","0.002","96.436","0.002","2055.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2DFMJ12","","","- C42 H53 N3 O17 S -","- C42 H51 N3 O17 S -","- C84 H102 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0936","0.0575","","","0.14","0.1598","","","","","","1.008","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235406","19.3218","0.0016","14.7252","0.0012","32.896","0.003","90","","104.855","0.002","90","","9046.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3DFMJ12","","","- C87 H122 N4 O36 S -","- C87 H108 N4 O36 S -","- C348 H432 N16 O144 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0962","0.0766","","","0.2043","0.2276","","","","","","1.022","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235407","10.059","0.0019","14.556","0.003","15.558","0.003","92.816","0.002","93.863","0.002","96.287","0.002","2255.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C2emimMeCN","","","- C46 H61 N3 O17 S -","- C46 H59 N3 O17 S -","- C92 H118 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.084","0.0499","","","0.1268","0.1502","","","","","","1.013","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235408","21.075","0.009","12.796","0.006","18.229","0.008","90","","96.533","0.006","90","","4884","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pgc4emimace","","","- C50 H72 N2 O18 S -","- C50 H72 N2 O18 S -","- C200 H288 N8 O72 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.2169","0.0934","","","0.2099","0.2636","","","","","","1.024","","","","has coordinates","232764","2020-10-21","18:00:00",""
"7235410","11.532","0.002","13.619","0.003","11.371","0.002","90","","95.74","0.03","90","","1776.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0739","0.0435","","","0.1106","0.1229","","","","","","1.034","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235411","15.01","0.003","9.2532","0.0019","16.741","0.003","90","","113.64","0.03","90","","2130","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O2 Zn -","- C20 H18 Cl2 N4 O2 Zn -","- C80 H72 Cl8 N16 O8 Zn4 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0649","0.0411","","","0.0839","0.0929","","","","","","1.07","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235412","10.023","0.002","14.669","0.003","14.429","0.003","90","","96.56","0.03","90","","2107.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cd4","","","- C20 H18 Cd Cl2 N4 O2 -","- C20 H18 Cd Cl2 N4 O2 -","- C80 H72 Cd4 Cl8 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.035","0.0291","","","0.0834","0.0866","","","","","","1.153","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235413","11.0477","0.0002","18.3261","0.0005","19.7231","0.0005","90","","91.198","0.002","90","","3992.29","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N10 O11 -","- C40 H38 Cd N10 O11 -","- C160 H152 Cd4 N40 O44 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.065","0.0414","","","0.0939","0.1103","","","","","","1.028","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235414","7.9949","0.0016","11.283","0.002","11.996","0.002","97.51","0.03","103.89","0.03","102.5","0.03","1006.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Hg N4 O2 -","- C20 H18 Cl2 Hg N4 O2 -","- C40 H36 Cl4 Hg2 N8 O4 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0387","0.0337","","","0.0894","0.0963","","","","","","0.879","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235415","7.346","0.0015","9.4","0.0019","10.7","0.002","101.75","0.03","90.16","0.03","92.82","0.03","722.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 N3 O Zn -","- C13 H11 Cl2 N3 O Zn -","- C26 H22 Cl4 N6 O2 Zn2 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.1369","0.0785","","","0.2118","0.3374","","","","","","0.986","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235416","7.9745","0.0018","16.072","0.004","10.223","0.003","90","","110.051","0.007","90","","1230.8","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C72 H48 N4 -","2","0.5","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0866","0.0496","","","0.1147","0.1268","","","","","","1.046","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235417","26.9518","0.0017","12.3277","0.0008","15.2781","0.001","90","","90","","90","","5076.2","0.6","90","","90","","","","","","","","","3","A e a 2","A 2 -2ab","41","","4,4'‒bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0714","0.0737","","","","","","1.07","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235418","18.0076","0.001","7.3919","0.0004","36.337","0.002","90","","90","","90","","4836.8","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.066","0.046","","","0.1093","0.1214","","","","","","1.022","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235419","9.8043","0.001","9.8043","0.001","7.4487","0.0011","90","","90","","90","","716","0.15","120","2","120","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Cu4 F4 H4 N O12 P4 -","- Cl Cu4 F4 H4 N O12 P4 -","- Cl2 Cu8 F8 H8 N2 O24 P8 -","2","0.125","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.2178","0.1203","","","0.1817","0.2272","","","","","","1.183","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235420","13.9096","0.0006","13.6136","0.0005","19.723","0.001","90","","90","","90","","3734.7","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C4 H11 Cl Cu4 F4 N2 O12 P4 -","- C4 H11 Cl Cu4 F4 N2 O12.13 P4 -","- C32 H88 Cl8 Cu32 F32 N16 O97.04 P32 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.135","0.0874","","","0.1577","0.1816","","","","","","1.078","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235421","13.722","0.0006","13.7879","0.0006","24.8892","0.0009","90","","90","","90","","4709","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 -","- C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009 -","- C48 H128 Cl1.528 Cu32 F32 N16 O135.384 P40.072 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.1477","0.0912","","","0.1514","0.1721","","","","","","1.09","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235422","10.6406","0.0005","15.5529","0.0008","16.8867","0.0012","66.629","0.003","87.281","0.004","81.087","0.003","2534.1","0.3","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C101.5 H67 Ag4 B4 Cl11 F16 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0723","0.0476","","","0.1022","0.114","","","","","","1.023","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235423","10.8963","0.0002","13.6018","0.0004","13.9028","0.0004","109.104","0.003","94.569","0.002","109.486","0.002","1793.81","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C52 H58 Ag4 Cl4 F24 N14 P4 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0377","0.0325","","","0.0859","0.0902","","","","","","1.044","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235424","17.1919","0.0004","17.6525","0.0005","28.3109","0.0008","90","","90","","90","","8591.8","0.4","293","2","296.15","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C318 H264 Ag16 Cl8 F48 N72 O48 S16 -","4","0.25","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0497","0.0343","","","0.0893","0.0995","","","","","","1.052","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235425","8.0993","0.0004","9.7117","0.0004","11.2515","0.0005","87.315","0.003","86.505","0.003","68.644","0.002","822.43","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Ag Cl N4 O4 -","- C17 H14 Ag Cl N4 O4 -","- C34 H28 Ag2 Cl2 N8 O8 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0504","0.0358","","","0.0857","0.0923","","","","","","1.039","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235426","8.568","0.0003","26.1905","0.0008","8.6188","0.0002","90","","95.015","0.002","90","","1926.66","0.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H14 Ag Cl F6 N4 P -","- C17.5 H14 Ag Cl F6 N4 P -","- C70 H56 Ag4 Cl4 F24 N16 P4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0507","0.0381","","","0.0907","0.0977","","","","","","1.078","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235427","23.76695","0.00015","13.12396","0.00009","25.0971","0.00017","90","","102.564","0.0007","90","","7640.75","0.09","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C280 H248 Ag16 B16 Cl16 F64 N64 O4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","1.54184","CuKα","","0.0691","0.0586","","","0.1558","0.1671","","","","","","1.042","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235428","7.7294","0.00014","13.2469","0.0002","15.3754","0.0003","78.217","0.0015","81.8669","0.0014","77.2006","0.0015","1495.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Ag B F4 N8 -","- C34 H28 Ag B F4 N8 -","- C68 H56 Ag2 B2 F8 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0336","0.028","","","0.0706","0.0742","","","","","","1.073","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235429","10.113","0.0006","17.5762","0.001","15.6751","0.001","90","","102.831","0.006","90","","2716.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutyl ammonium salt of Naphthyl oxime","","- C27 H45 F N2 O2 -","- C27 H45 F N2 O2 -","- C108 H180 F4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.112","0.0686","","","0.1729","0.2015","","","","","","1.051","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235430","16.2317","0.0007","9.6547","0.0004","20.2299","0.0008","90","","99.931","0.003","90","","3122.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2 4 dihydroxy aromatic aldoxime","","- C30 H49 N3 O6 -","- C30 H49 N3 O6 -","- C120 H196 N12 O24 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.1135","0.0736","","","0.1531","0.1636","","","","","","1.048","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235431","9.5189","0.0007","9.4321","0.0007","18.7965","0.0014","90","","101.203","0.004","90","","1655.5","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H50 F N3 O6 -","- C30 H50 F N3 O6 -","- C60 H100 F2 N6 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.056","0.0383","","","0.0919","0.1024","","","","","","1.029","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235875","13.464","0.0006","13.6873","0.0006","17.0771","0.0006","107.657","0.004","95.015","0.003","95.481","0.003","2962.5","0.2","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H67 Cl3 N6 O8 -","- C65 H67 Cl3 N6 O8 -","- C130 H134 Cl6 N12 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1178","0.0794","","","0.2113","0.2483","","","","","","1.026","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235876","13.5142","0.0006","14.6744","0.0007","17.3471","0.0007","95.199","0.004","94.142","0.003","110.327","0.004","3192.8","0.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H60 Cl9 D3 N4 O8 -","- C63 H62.998 Cl8.994 N4 O8 -","- C126 H125.996 Cl17.988 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.1888","0.0995","","","0.2709","0.3386","","","","","","1.043","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235877","13.4616","0.0002","14.1115","0.0003","15.8347","0.0004","109.783","0.002","93.681","0.0016","99.7937","0.0016","2765.08","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H72 N4 O11 -","- C63 H72 N4 O11 -","- C126 H144 N8 O22 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","1.54184","CuKα","","0.0593","0.0526","","","0.1444","0.1524","","","","","","1.021","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235878","13.1236","0.0004","32.8276","0.0008","13.3088","0.0004","90","","92.373","0.003","90","","5728.7","0.3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 Cl3 N4 O9 -","- C63 H67 Cl3 N4 O9 -","- C252 H268 Cl12 N16 O36 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1307","0.0815","","","0.2186","0.2609","","","","","","1.035","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235879","13.0454","0.0003","13.7948","0.0005","20.6219","0.0007","88.043","0.003","82.996","0.002","84.693","0.002","3666.6","0.2","170","2","170.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C70 H60 Cl3 D F6 I3 N4 O8 -","- C70 H61 Cl3 F6 I3 N4 O8 -","- C140 H122 Cl6 F12 I6 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0532","0.0397","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235880","11.07141","0.00013","44.297","0.0007","15.7761","0.0004","90","","90","","90","","7737.1","0.2","170","2","170.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H31 Cl3 F4 I2 N2 O4 -","- C37 H31 Cl3 F4 I2 N2 O4 -","- C296 H248 Cl24 F32 I16 N16 O32 -","8","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0698","0.0485","","","0.0973","0.1055","","","","","","1.106","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235881","17.624","0.0011","11.8156","0.0007","26.146","0.0013","90","","116.317","0.003","90","","4880.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cd2 N9 O13 -","- C50 H45 Cd2 N9 O13 -","- C200 H180 Cd8 N36 O52 -","4","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.0423","0.0345","","","0.0872","0.0919","","","","","","1.02","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7235882","21.234","0.009","15.744","0.006","16.213","0.007","90","","113.443","0.004","90","","4973","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cd N2 O9 -","- C23 H28 Cd N2 O9 -","- C184 H224 Cd8 N16 O72 -","8","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.1457","0.0867","","","0.2204","0.2975","","","","","","1.065","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7236160","14.0408","0.0005","7.0121","0.0002","18.5908","0.0006","90","","90","","90","","1830.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0318","0.0256","","","0.0641","0.0681","","","","","","1.08","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236161","12.4401","0.0002","11.2487","0.0002","15.3872","0.0003","90","","93.715","0.002","90","","2148.68","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cu2 N10 O10 -","- C40 H46 Cu2 N10 O10 -","- C80 H92 Cu4 N20 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0696","0.0706","","","","","","1.042","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236162","18.3728","0.0003","12.264","0.0002","15.3996","0.0002","90","","96.439","0.002","90","","3448.01","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H32 Cu N10 O6 -","- C36 H32 Cu N10 O6 -","- C144 H128 Cu4 N40 O24 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0767","0.0794","","","","","","1.06","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236163","7.8022","0.0002","22.6506","0.0006","11.4896","0.0003","90","","92.226","0.002","90","","2028.96","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Cu2 N8 O10 -","- C38 H38 Cl2 Cu2 N8 O10 -","- C76 H76 Cl4 Cu4 N16 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0427","0.0343","","","0.0763","0.0811","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236164","17.4049","0.0009","17.5945","0.001","11.9876","0.0007","90","","90","","90","","3671","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H32 Cl2 Cu N8 O8 -","- C36 H32 Cl2 Cu N8 O8 -","- C144 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0355","0.0317","","","0.0762","0.0787","","","","","","1.053","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236165","11.2175","0.0006","27.351","0.002","12.9381","0.0009","90","","99.598","0.006","90","","3914","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu2 F6 N8 O2 Si -","- C38 H38 Cu2 F6 N8 O2 Si -","- C152 H152 Cu8 F24 N32 O8 Si4 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","1.5418","CuKα","","0.0501","0.035","","","0.0805","0.0877","","","","","","1.017","","","","has coordinates,has disorder","234702","2020-10-21","18:00:00",""
"7236166","10.6138","0.0002","11.0181","0.0002","16.4294","0.0004","90","","100.83","0.002","90","","1887.1","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 N8 O8 S2 -","- C36 H32 Cu2 N8 O8 S2 -","- C72 H64 Cu4 N16 O16 S4 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0417","0.0339","","","0.0772","0.0823","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236167","4.6147","0.0006","6.5781","0.0012","12.9004","0.0016","90","","90.418","0.009","90","","391.59","0.1","223","1","223","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.0731","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236168","4.6604","0.0003","7.4079","0.0007","10.4566","0.0006","90","","92.007","0.004","90","","360.78","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.1058","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236169","10.5995","0.0002","12.1967","0.0003","16.3411","0.0004","98.732","0.002","107.645","0.002","109.102","0.002","1826.92","0.09","288.53","0.1","288.53","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0473","0.0349","","","0.0799","0.0854","","","","","","1.027","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236170","11.8454","0.00014","28.3935","0.0003","34.5364","0.0003","90","","90","","90","","11615.7","0.2","291.57","0.1","291.57","0.1","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H50 N8 Ni5 O30 -","- C52 H50 N8 Ni5 O30 -","- C416 H400 N64 Ni40 O240 -","8","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0506","0.0486","","","0.1337","0.1355","","","","","","1.086","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236171","9.6379","0.0004","10.2081","0.0003","12.1115","0.0005","112.98","0.003","99.703","0.003","95.828","0.003","1062.79","0.08","290.88","0.19","290.88","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0483","0.0467","","","0.143","0.1445","","","","","","1.103","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236172","9.67809","0.00016","10.27573","0.00015","11.9152","0.0002","112.179","0.0015","101.863","0.0014","93.0017","0.0013","1062.75","0.03","288.53","0.1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0318","0.0316","","","0.0797","0.0798","","","","","","1.108","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236173","9.8669","0.0002","10.425","0.0002","12.4397","0.0003","111.316","0.0019","102.568","0.0018","93.8625","0.0017","1148.29","0.05","290.56","0.17","290.56","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0352","0.0342","","","0.1097","0.1106","","","","","","1.131","","","","has coordinates","234710","2020-10-21","18:00:00",""
"7236174","9.6701","0.0002","10.2782","0.0002","11.9406","0.0003","112.322","0.002","101.936","0.002","92.9815","0.0019","1062.89","0.05","288.85","0.12","288.85","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0454","0.0396","","","0.097","0.1004","","","","","","1.054","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236175","9.7826","0.0002","10.3101","0.0002","12.1333","0.0003","112.088","0.002","101.488","0.002","94.1132","0.0018","1096.65","0.05","289.03","0.1","289.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.044","0.0425","","","0.1281","0.1298","","","","","","1.112","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236176","8.6354","0.0003","21.9273","0.0007","18.4048","0.0006","90","","108.339","0.003","90","","3308","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Co N5 O6 -","- C32 H21 Co N5 O6 -","- C128 H84 Co4 N20 O24 -","4","1","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1576","0.0648","","","0.1459","0.1823","","","","","","0.963","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236177","31.98","0.03","7.904","0.007","26.8","0.03","90","","90","","90","","6774","12","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H42 Cd3 N10 O13 -","- C64 H42 Cd3 N10 O13 -","- C256 H168 Cd12 N40 O52 -","4","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.0488","0.0458","","","0.0989","0.0999","","","","","","1.105","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236178","9.856","0.007","10.988","0.008","17.309","0.013","80.255","0.007","75.531","0.006","86.663","0.007","1789","2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","1","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1393","0.0596","","","0.1075","0.134","","","","","","0.965","","","","has coordinates,has disorder","234713","2020-10-21","18:00:00",""
"7236179","23.751","0.003","30.607","0.004","23.764","0.003","90","","90","","90","","17275","4","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C39 H35 Cd2 Cl5 Cr3 N7 O16 -","- C39 H31 Cd2 Cl5 Cr3 N7 O16 -","- C312 H248 Cd16 Cl40 Cr24 N56 O128 -","8","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.71073","MoKα","","0.1758","0.0939","","","0.2555","0.3387","","","","","","1.066","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236180","20.772","0.009","20.772","0.009","21.053","0.001","90","","90","","120","","7867","5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H54 Cr3 Cu3 N13 O49 -","- C36 H24 Cr3 Cu3 N6 O28 -","- C72 H48 Cr6 Cu6 N12 O56 -","2","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0887","0.0726","","","0.2137","0.2411","","","","","","1.089","","","","has coordinates","234716","2020-10-21","18:00:00",""
"7236181","20.608","0.002","20.608","0.002","22.35","0.002","90","","90","","90","","9491.8","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C46 H70 Cd2 Cr3 N11 O41 -","- C46 H51 Cd2 Cr3 N10 O38 -","- C184 H204 Cd8 Cr12 N40 O152 -","4","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0738","0.0562","","","0.1568","0.1716","","","","","","1.103","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236182","21.6177","0.0006","21.6177","0.0006","61.464","0.004","90","","90","","120","","24875.4","1.9","100","2","100.11","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C117 H155 Cl14 Cr6 Cu6 N27 O42 -","- C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999 -","- C702 H918 Cl83.9988 Cr36 Cu36 N162 O251.999 -","6","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0742","0.0634","","","0.1631","0.1695","","","","","","1.105","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236183","22.045","0.002","22.045","0.002","21.768","0.002","90","","90","","120","","9161.6","1.4","100","2","100.15","","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C78 H84 Cl6 Cr6 Mn3 N14 O44 -","- C78 H48 Cl6 Cr6 Mn3 N12 O38 -","- C156 H96 Cl12 Cr12 Mn6 N24 O76 -","2","0.0833333","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0961","0.0601","","","0.1945","0.2415","","","","","","1.079","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236488","32.4215","0.0006","9.5567","0.0002","25.2788","0.0004","90","","90","","90","","7832.4","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Br4 N14 O8 Zn2 -","- C80 H66 Br4 N14 O8 Zn2 -","- C320 H264 Br16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.1249","0.0873","","","0.2458","0.2892","","","","","","1.024","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236489","32.2944","0.0008","9.5094","0.0002","25.206","0.0006","90","","90","","90","","7740.8","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Cl4 N14 O8 Zn2 -","- C80 H62 Cl4 N14 O8 Zn2 -","- C320 H248 Cl16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.0977","0.0681","","","0.1963","0.2219","","","","","","1.052","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236490","32.2573","0.0004","9.3547","0.0001","25.2417","0.0003","90","","90","","90","","7616.87","0.15","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C76 H60 I4 N12 O8 Zn2 -","- C76 H60 I4 N12 O8 Zn2 -","- C304 H240 I16 N48 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.092","0.0726","","","0.2108","0.2358","","","","","","1.049","","","","has coordinates,has disorder","235610","2020-10-21","18:00:00",""
"7236491","13.068","0.002","8.854","0.002","18.676","0.004","90","","90","","90","","2160.9","0.7","353","2","353","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0794","0.0628","","","0.1828","0.2155","","","","","","1.043","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236492","13.3332","0.0004","8.7654","0.0002","17.6823","0.0005","90","","90","","90","","2066.55","0.1","296","2","296","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0367","0.0267","","","0.0735","0.0802","","","","","","1.026","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236493","10.914","0.0009","20.5461","0.0015","11.5001","0.0008","90","","90","","90","","2578.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C12 H26 B2 Fe N18 O6 -","- C12 H26 B2 Fe N18 O6 -","- C48 H104 B8 Fe4 N72 O24 -","4","0.25","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0476","0.0356","","","0.0884","0.095","","","","","","1.028","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236494","14.738","0.002","14.738","0.002","12.257","0.003","90","","90","","120","","2305.6","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","In-BDC-NH2","","- C12 H8.25 In0.75 N1.5 O6 -","- C12 H8.2503 In0.75 N1.5 O6 -","- C48 H33.0012 In3 N6 O24 -","4","0.333333","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0317","0.0281","","","0.0677","0.0682","","","","","","0.966","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236495","6.7","0.0013","9.21","0.0018","15.04","0.003","78.47","0.03","78.31","0.03","89.31","0.03","890.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","H2BDC-NH2/NO2","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","2","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0842","0.0586","","","0.1591","0.1801","","","","","","1.026","","","","has coordinates","235616","2020-10-21","18:00:00",""
"7236496","24.8947","0.0001","24.8947","0.0001","24.8947","0.0001","90","","90","","90","","15428.4","0.11","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C36 H12 In3 N9 O28 -","- C33 H12 In3 N9 O28 -","- C264 H96 In24 N72 O224 -","8","0.166667","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.6889","synchrotron","","0.0343","0.0336","","","0.097","0.0979","","","","","","1.104","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236497","6.0405","0.0002","7.9031","0.0002","17.1183","0.001","95.991","0.004","96.311","0.004","107.186","0.004","767.88","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(cytosine-kN4)ruthenium(II)]","","- C14 H19 Cl2 N3 O Ru -","- C14 H19 Cl2 N3 O Ru -","- C28 H38 Cl4 N6 O2 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.036","0.03","","","0.0615","0.0645","","","","","","1.068","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236498","7.621","0.0003","25.8409","0.0008","8.7978","0.0003","90","","113.45","0.005","90","","1589.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(p-cymene)bis(chlorido)(hypoxanthine-kN9)ruthenium(II)]","","- C15 H18 Cl2 N4 O Ru -","- C15 H18 Cl2 N4 O Ru -","- C60 H72 Cl8 N16 O4 Ru4 -","4","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.025","0.0216","","","0.0474","0.0488","","","","","","1.049","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236499","8.5593","0.0005","10.1279","0.0007","11.1478","0.0008","101.641","0.006","110.181","0.006","99.969","0.005","856.87","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(5-aminouracil-kN5)ruthenium(II)]","","- C14 H19 Cl2 N3 O2 Ru -","- C14 H19 Cl2 N3 O2 Ru -","- C28 H38 Cl4 N6 O4 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0289","0.0268","","","0.067","0.0692","","","","","","1.078","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236500","6.6956","0.0013","15.2432","0.001","17.81","0.003","67.308","0.011","80.069","0.015","89.881","0.009","1647.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]","","- C14 H18 Cl2 N2 O Ru S -","- C14 H18 Cl2 N2 O Ru S -","- C56 H72 Cl8 N8 O4 Ru4 S4 -","4","2","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0746","0.0488","","","0.1178","0.1267","","","","","","0.944","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236501","14.4901","0.0003","14.4901","0.0003","17.3192","0.0007","90","","90","","90","","3636.39","0.18","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate","","- C60 H72 F12 N12 O16 Ru4 S4 -","- C60 H72 F12 N12 O16 Ru4 S4 -","- C120 H144 F24 N24 O32 Ru8 S8 -","2","0.25","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0685","0.0579","","","0.1379","0.146","","","","","","1.041","","","","has coordinates,has disorder","235620","2020-10-21","18:00:00",""
"7236906","9.5818","0.0003","9.2966","0.0003","29.1439","0.0009","90","","96.654","0.002","90","","2578.6","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N4 O -","- C30 H30 N4 O -","- C120 H120 N16 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1542","0.0707","","","0.1926","0.2428","","","","","","1.059","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236907","9.7349","0.0002","26.4673","0.0004","9.6839","0.0002","90","","110.107","0.001","90","","2343.05","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1827","0.048","","","0.096","0.1255","","","","","","0.777","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236908","9.0523","0.0002","9.4796","0.0003","15.3386","0.0004","101.215","0.002","96.659","0.002","117.266","0.002","1115.46","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1179","0.049","","","0.111","0.1356","","","","","","1.015","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236909","7.4345","0.0006","7.7857","0.0007","18.3205","0.0016","81.464","0.005","87.016","0.005","86.135","0.005","1045.36","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.087","0.0459","","","0.1293","0.1549","","","","","","0.999","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236911","23.2883","0.0016","23.2883","0.0016","14.1304","0.0011","90","","90","","120","","6636.8","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H60 N4 O50 Pr4 -","- C60 H40 N4 O40 Pr4 -","- C180 H120 N12 O120 Pr12 -","3","0.5","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0489","0.0369","","","0.0888","0.0923","","","","","","1.021","","","","has coordinates","257468","2020-10-21","18:00:00",""
"7236912","13.649","0.006","14.334","0.006","7.994","0.003","90","","92.233","0.016","90","","1562.8","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Gd N O9.5 -","- C16 H9 Gd N O9.5 -","- C64 H36 Gd4 N4 O38 -","4","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0238","0.0206","","","0.0435","0.0445","","","","","","1.205","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7236913","9.4885","0.0011","9.5857","0.001","12.4176","0.0014","93.605","0.004","108.083","0.004","112.343","0.003","971.8","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Dy N O11 -","- C15 H11 Dy N O11 -","- C30 H22 Dy2 N2 O22 -","2","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0368","0.0342","","","0.0954","0.0974","","","","","","1.044","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7237064","12.783","0.003","41.28","0.008","8.161","0.0016","90","","90","","90","","4306.4","1.6","296","2","296","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C13 H5 Mn N O4 -","- C13 H5 Mn N O4 -","- C208 H80 Mn16 N16 O64 -","16","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0825","0.0682","","","0.2047","0.2418","","","","","","1.008","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237065","8.6821","0.0006","10.2379","0.0007","12.094","0.0009","68.497","0.002","84.952","0.002","89.683","0.002","995.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","1","0.5","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0854","0.0505","","","0.1151","0.1292","","","","","","1.015","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237066","13.2825","0.0007","16.7322","0.001","17.9666","0.0011","90","","90","","90","","3993","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 Mn2 N8 O10 -","- C44 H38 Mn2 N8 O10 -","- C176 H152 Mn8 N32 O40 -","4","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.1849","0.0684","","","0.0788","0.1016","","","","","","1","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237067","10.109","0.005","10.461","0.005","12.102","0.006","67.592","0.007","68.056","0.007","84.45","0.007","1095.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N5 O5 -","- C20 H13 Mn N4 O4 -","- C40 H26 Mn2 N8 O8 -","2","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0541","0.0382","","","0.0878","0.094","","","","","","1.052","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237068","7.469","0.005","8.644","0.005","10.23","0.007","88.12","0.05","88.89","0.05","71.28","0.06","625.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 B F4 N2 O2 -","- C8 H17 B F4 N2 O2 -","- C16 H34 B2 F8 N4 O4 -","2","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0882","0.0735","","","0.2072","0.2205","","","","","","1.029","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237069","11.034","0.0004","15.227","0.0005","24.4497","0.0008","90","","90","","90","","4107.9","0.2","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C16 H26 B2 F8 N4 -","- C16 H26 B2 F8 N4 -","- C128 H208 B16 F64 N32 -","8","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0996","0.0567","","","0.147","0.1638","","","","","","0.91","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237070","9.79","0.004","12.442","0.005","11.16","0.004","90","","90","","90","","1359.4","0.9","250","2","250","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8.008 N2 -","- C32 H56 B8 F32.032 N8 -","4","0.25","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.109","0.0724","","","0.2256","0.2722","","","","","","1.035","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237071","10.87","0.004","9.528","0.003","12.575","0.005","90","","90","","90","","1302.4","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C32 H56 B8 F32 N8 -","4","0.5","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0686","0.0558","","","0.1595","0.1745","","","","","","1.047","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237072","9.2852","0.0005","9.4826","0.0005","18.6899","0.0009","94.913","0.001","91.446","0.001","112.488","0.001","1511.88","0.14","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","2","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0465","0.0355","","","0.0807","0.0876","","","","","","1.038","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237073","10.409","0.002","11.604","0.002","12.093","0.002","62.633","0.004","72.031","0.004","66.239","0.004","1173.5","0.4","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd N4 O4 -","- C28 H18 Cd N4 O4 -","- C56 H36 Cd2 N8 O8 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0281","0.0267","","","0.0837","0.0848","","","","","","1.015","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237074","14.142","0.0009","16.0637","0.001","19.8005","0.0013","90","","90","","90","","4498.1","0.5","297","2","297.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C224 H144 N32 O32 Zn8 -","8","0.5","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0462","0.0395","","","0.1026","0.108","","","","","","1.053","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237075","10.4915","0.0006","12.594","0.0006","13.9443","0.0007","100.636","0.001","106.305","0.001","103.497","0.001","1656.63","0.15","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cd N4 O6 -","- C34 H24 Cd N4 O6 -","- C68 H48 Cd2 N8 O12 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.041","0.0341","","","0.09","0.0922","","","","","","1.132","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237076","10.4474","0.0013","12.4603","0.0016","13.9284","0.0018","101.248","0.003","108.513","0.003","103.284","0.003","1601.2","0.4","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N4 O5 Zn -","- C34 H22 N4 O5 Zn -","- C68 H44 N8 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.1264","0.078","","","0.1843","0.1997","","","","","","1.1","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237077","9.634","0.0007","12.2099","0.0008","12.9166","0.0009","68.118","0.002","76.862","0.002","81.009","0.002","1368.7","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd N5 O5 -","- C31 H24 Cd N5 O5 -","- C62 H48 Cd2 N10 O10 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0293","0.0254","","","0.0648","0.068","","","","","","1.085","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237078","9.3633","0.0005","12.1048","0.0007","13.7443","0.0007","69.881","0.001","72.148","0.001","76.809","0.002","1379.11","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N5 O5 Zn -","- C31 H25 N5 O5 Zn -","- C62 H50 N10 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0357","0.0291","","","0.07","0.0737","","","","","","1.046","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237079","14.745","0.003","14.745","0.003","14.745","0.003","90","","90","","90","","3205.8","1.1","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","DAP-O12","","- C6 H14 Cl3 K N2 O13 -","- C6.0048 H14.0112 Cl3 K N2.0016 O13.0008 -","- C48.0384 H112.09 Cl24 K8 N16.0128 O104.006 -","8","0.0416667","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.0679","0.0412","","","0.1041","0.1251","","","","","","1.052","","","","has coordinates,has disorder","236809","2020-10-21","18:00:00",""
"7237080","10.1521","0.0002","9.7195","0.0002","13.1621","0.0003","90","","91.9","0.002","90","","1298.03","0.05","223","0.1","223","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PAP-1","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","0.71073","MoKα","","0.0808","0.0505","","","0.1171","0.1403","","","","","","1.043","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237081","14.6921","0.0005","10.4526","0.0004","10.0448","0.0003","90","","91.171","0.003","90","","1542.26","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl3 K N2 O13 -","- C6 H14 Cl3 K N2 O13 -","- C24 H56 Cl12 K4 N8 O52 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.1002","0.0759","","","0.2048","0.2241","","","","","","1.086","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237082","10.1689","0.0004","9.7312","0.0004","13.2985","0.0006","90","","91.993","0.004","90","","1315.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","1.54184","CuKα","","0.0788","0.0731","","","0.2007","0.2103","","","","","","1.0292","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237083","8.059","0.004","14.506","0.006","21.978","0.01","90","","90.494","0.011","90","","2569","2","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 I N2 Se -","- C21 H40 I N2 Se -","- C84 H160 I4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0445","0.0309","","","0.0745","0.0773","","","","","","0.945","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237084","12.513","0.0013","14.1548","0.0018","17.6517","0.0018","90","","101.041","0.007","90","","3068.6","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H44 Cl N3 Se2 -","- C26 H44 Cl N3 Se2 -","- C104 H176 Cl4 N12 Se8 -","4","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1513","0.0909","","","0.1968","0.2367","","","","","","1.176","","","","has coordinates,has disorder","236811","2020-10-21","18:00:00",""
"7237085","12.145","0.004","8.651","0.002","26.55","0.008","90","","96.341","0.007","90","","2772.4","1.4","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 I2 N6 Se4 -","- C46 H82 I2 N6 Se4 -","- C92 H164 I4 N12 Se8 -","2","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0554","0.0322","","","0.0679","0.073","","","","","","0.976","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237086","7.855","0.0012","14.479","0.002","21.667","0.003","90","","90.775","0.003","90","","2464","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Br N2 Se -","- C21 H40 Br N2 Se -","- C84 H160 Br4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1103","0.0571","","","0.1463","0.1633","","","","","","0.901","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237087","9.9885","0.0002","11.9939","0.0002","14.1518","0.0003","90","","90","","90","","1695.4","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Cu2 O13 -","- C10 H22 Cu2 O13 -","- C40 H88 Cu8 O52 -","4","0.5","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0225","0.0213","","","0.0489","0.0494","","","","","","1.053","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237088","11.5965","0.0008","11.5965","0.0008","10.5437","0.0006","90","","90","","120","","1227.94","0.14","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C5 H6 Cu O6 -","- C5 H6 Cu O6 -","- C30 H36 Cu6 O36 -","6","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0558","0.0509","","","0.1333","0.1356","","","","","","1.159","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237089","9.77","0.003","9.921","0.003","14.477","0.003","90","","90","","90","","1403.2","0.7","293","2","293","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C5 H8 Cu O5 -","- C5 H8 Cu O5 -","- C40 H64 Cu8 O40 -","8","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0759","0.0458","","","0.0894","0.098","","","","","","1.031","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7238040","7.538","0.0001","14.0607","0.0002","12.3766","0.0001","90","","103.32","0.0005","90","","1276.5","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","","0.71073","MoKα","","0.0453","0.0391","","","0.0929","0.0971","","","","","","1.057","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238041","7.68546","0.00013","14.1282","0.0002","12.49862","0.00017","90","","102.16","0.0015","90","","1326.67","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","x-ray","1.54184","CuKα","","0.0446","0.0393","","","0.1012","0.1074","","","","","","1.034","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238042","14.3343","0.0012","25.123","0.002","18.1924","0.0014","90","","90","","90","","6551.5","0.9","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H33 N5 O12 Zn3 -","- C51 H33 N5 O12 Zn3 -","- C204 H132 N20 O48 Zn12 -","4","0.5","","Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin","A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation","CrystEngComm","2020","22","2","275","282","10.1039/C9CE01481K","","","0.71073","MoKα","","0.1159","0.0519","","","0.0984","0.1145","","","","","","0.8","","","","has coordinates,has disorder","257466","2020-10-21","18:00:00",""
"7238043","5.21733","0.00004","9.11328","0.00007","14.35413","0.00011","90","","90.7911","0.0003","90","","682.431","0.009","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","2","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0405","0.0405","","","0.112","0.112","","","","","","1.17","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238044","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine dihydrate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0278","0.0278","","","0.0751","0.0751","","","","","","1.104","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238045","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ectoine","1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.1698","neutrons","","0.0327","0.0317","","","0.08","0.0806","","","","","","1.146","","","","has coordinates,has disorder","257471","2020-10-21","18:00:00",""
"7238068","11.2652","0.0015","12.2246","0.0015","12.2787","0.0018","94.758","0.011","115.462","0.014","111.252","0.012","1364.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N12 O4 Zn -","- C26 H24 N12 O4 Zn -","- C52 H48 N24 O8 Zn2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0839","0.0575","","","0.1467","0.1616","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238069","8.2082","0.0006","10.6317","0.0008","12.4526","0.001","79.48","0.007","74.303","0.007","69.897","0.007","977.6","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N10 O -","- C20 H13 Cd N10 O -","- C40 H26 Cd2 N20 O2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0299","0.0256","","","0.0534","0.055","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238070","28.6376","0.0015","10.5812","0.0004","22.7685","0.001","90","","90","","90","","6899.3","0.5","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H29 Cd N13 O3 -","- C30 H29 Cd N13 O3 -","- C240 H232 Cd8 N104 O24 -","8","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0793","0.0517","","","0.1339","0.1458","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7238071","5.9576","0.0007","16.05","0.0018","16.1222","0.0018","90","","100.028","0.002","90","","1518","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 O2 -","- C14 H12 N8 O2 -","- C56 H48 N32 O8 -","4","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0399","0.0332","","","0.0855","0.0886","","","","","","1.078","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238087","10.779","0.002","11.647","0.002","17.741","0.004","86.46","0.03","83.91","0.03","63.32","0.03","1978.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0698","0.0473","","","0.1123","0.1264","","","","","","1.037","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238088","21.22","0.004","15.343","0.003","24.707","0.005","90","","109.23","0.03","90","","7595","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H28.4 Cl3 Mo12 N6 O42.2 P -","- C30 H21 Cl3 Mo12 N6 O42.2 P -","- C120 H84 Cl12 Mo48 N24 O168.8 P4 -","4","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0782","0.0571","","","0.1596","0.1741","","","","","","1.023","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238089","9.783","0.002","14.444","0.003","15.724","0.003","88.09","0.03","72.05","0.03","79.4","0.03","2077","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H55 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0872","0.0614","","","0.1774","0.1966","","","","","","1.04","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238090","9.897","0.002","14.401","0.003","15.775","0.003","87.64","0.03","72.1","0.03","79.24","0.03","2101.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0787","0.0706","","","0.1504","0.1538","","","","","","1.199","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238091","9.1196","0.0005","37.326","0.001","8.8987","0.0004","90","","90","","90","","3029.1","0.2","293","2","293","2","","","","","","","","6","C 2 e b","C -2ac 2","41","","","","- C9 H21 I7 N3 O4 Pb2 -","- C9 H18 I7 N3 O4 Pb2 -","- C36 H72 I28 N12 O16 Pb8 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","0.066","0.0365","","","0.0627","0.0683","","","","","","1.018","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238092","8.904","0.001","9.266","0.001","24.261","0.003","90","","90","","90","","2001.6","0.4","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","","0.0277","","","","0.0738","","","","","","0.997","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238093","11.3793","0.0009","9.6944","0.0007","13.5323","0.001","90","","90","","90","","1492.82","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H4 Cu I N2 -","- C7 H4 Cu I N2 -","- C56 H32 Cu8 I8 N16 -","8","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0718","0.0636","","","0.1882","0.1949","","","","","","1.167","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238094","15.8807","0.0012","4.1476","0.0003","17.2672","0.0013","90","","111.929","0.001","90","","1055.05","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu2 I2 N2 -","- C7 H6 Cu2 I2 N2 -","- C28 H24 Cu8 I8 N8 -","4","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0488","0.0373","","","0.0954","0.1135","","","","","","1.105","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238095","6.7802","0.0009","6.7802","0.0009","27.425","0.007","90","","90","","90","","1260.8","0.4","100","0.2","100","0.2","","","","","","","","3","P 41","P 4w","76","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0436","0.0422","","","0.0986","0.0993","","","","","","1.224","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238096","9.2811","0.0019","9.926","0.002","13.927","0.003","92.912","0.003","101.065","0.003","91.848","0.004","1256.4","0.5","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","2","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0714","0.0519","","","0.1322","0.1458","","","","","","1.021","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238097","5.958","0.005","5.994","0.005","9.867","0.008","86.177","0.013","82.547","0.013","73.2","0.012","334.3","0.5","292","2","292","2","","","","","","","","3","P -1","-P 1","2","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","","- C14 H24 O4 -","- C14 H24 O4 -","- C14 H24 O4 -","1","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0576","0.0504","","","0.1405","0.1471","","","","","","1.058","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238098","6.4271","0.0005","12.845","0.001","13.122","0.001","87.403","0.001","78.592","0.001","87.916","0.001","1060.39","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0538","0.0464","","","0.1279","0.1356","","","","","","1.059","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238099","7.0847","0.0004","12.3248","0.0006","12.7151","0.0007","88.999","0.001","74.24","0.001","86.511","0.001","1066.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0373","0.0308","","","0.0821","0.0872","","","","","","1.045","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238100","12.388","0.001","13.834","0.002","14.151","0.002","64.58","0.002","67.931","0.002","83.78","0.002","2025.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N2 O5 Pd -","- C42 H42 I2 N2 O5 Pd -","- C84 H84 I4 N4 O10 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0902","0.0503","","","0.1317","0.1615","","","","","","1.001","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238101","10.955","0.002","11.153","0.002","14.248","0.003","91.81","0.003","91.062","0.004","105.529","0.003","1675.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I2 N2 O2 Pd -","- C36 H30 I2 N2 O2 Pd -","- C72 H60 I4 N4 O4 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.1475","0.111","","","0.3493","0.3703","","","","","","1.308","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238102","8.36","0.0017","8.478","0.0017","22.484","0.006","90","","107.92","0.03","90","","1516.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd2 N2 O9 -","- C14 H8 Cd2 N2 O9 -","- C56 H32 Cd8 N8 O36 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0372","0.0275","","","0.0652","0.0681","","","","","","1.085","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238103","9.142","0.0018","9.597","0.0019","9.904","0.002","117.25","0.03","104.93","0.03","98.44","0.03","710.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd N3 O8 -","- C11 H11 Cd N3 O8 -","- C22 H22 Cd2 N6 O16 -","2","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0439","0.0325","","","0.0789","0.0835","","","","","","1.074","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238104","8.1781","0.0009","10.4752","0.0012","17.291","0.002","78.35","0.02","84.08","0.02","81.4","0.03","1430.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","1","0.5","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0694","0.0427","","","0.0811","0.0854","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238105","7.8679","0.0019","15.969","0.004","8.078","0.002","90","","114.515","0.01","90","","923.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0415","0.0319","","","0.0579","0.0605","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238106","33.839","0.005","5.6356","0.0009","17.58","0.003","90","","116.787","0.003","90","","2992.8","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu2 N4 O11 -","- C34 H22 Cu2 N4 O11 -","- C136 H88 Cu8 N16 O44 -","4","0.5","","Ghoshal, Debajyoti; Ghosh, Ananta Kumar; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Synthesis, crystal structure and magnetic behavior of a croconato bridged Cu(ii) complex: effect of C‒H⋯O interaction in controlling the coordination bond formation in organic‒inorganic hybrid","CrystEngComm","2005","7","102","616","","10.1039/b511251f","","","0.71073","MoKα","","0.1282","0.0563","","","0.1252","0.1396","","","","","","0.885","","","","has coordinates","244070","2020-10-21","18:00:00",""
"7238107","7.9398","0.001","8.2908","0.0011","8.5591","0.0011","83.699","0.002","87.174","0.002","86.834","0.002","558.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-dichloro[2-(phenylselanyl)ethanamine]platinum(II)","","- C8 H11 Cl2 N Pt Se -","- C8 H11 Cl2 N Pt Se -","- C16 H22 Cl4 N2 Pt2 Se2 -","2","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0323","0.0303","","","0.0783","0.0794","","","","","","1.043","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238108","10.5679","0.0008","10.7752","0.0009","11.4873","0.0009","90","","98.485","0.001","90","","1293.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro[2-benzylselanyl)ethanamine]platinum(II)","","- C9 H13 Cl2 N Pt Se -","- C9 H13 Cl2 N Pt Se -","- C36 H52 Cl8 N4 Pt4 Se4 -","4","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0516","0.0469","","","0.1102","0.1115","","","","","","1.047","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238109","16.199","0.003","23.421","0.003","8.289","0.002","90","","90","","90","","3144.8","1","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 Fe N10 O6.5 -","- C22 H26 Cl2.5 Fe N10 O6 -","- C88 H104 Cl10 Fe4 N40 O24 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.063","","","","0.073","","","","","","1.91","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238110","11.733","0.002","11.733","0.002","20.664","0.004","90","","90","","90","","2844.7","0.9","294","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H26 Cl2 Fe N14 O6 -","- C18 H14 Cl2 Fe N14 O6 -","- C72 H56 Cl8 Fe4 N56 O24 -","4","0.25","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.071","","","","0.105","","","","","","1.7","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238111","16.299","0.004","23.473","0.005","8.339","0.002","90","","90","","90","","3190.4","1.3","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 N10 O6.5 Ru -","- C22 H26 Cl2.5 N10 O6 Ru -","- C88 H104 Cl10 N40 O24 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.95","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238112","8.836","0.003","20.969","0.004","17.825","0.004","90","","91.26","0.02","90","","3301.9","1.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl2 N6 O6 Ru -","- C30 H22 Cl7 N6 O Ru -","- C120 H88 Cl28 N24 O4 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.87","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238113","9.6207","0.0003","11.1229","0.0003","11.5791","0.0003","75.102","0.001","73.232","0.001","71.184","0.001","1104.44","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.85 P -","- C24 H24 Cl O3.85 P -","- C48 H48 Cl2 O7.7 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0376","0.0337","","","0.0919","0.0943","","","","","","1.07","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238114","9.6277","0.0011","11.1642","0.0013","11.6014","0.0014","75.114","0.002","73.164","0.002","71.148","0.003","1111","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.9 P -","- C24 H24 Cl O3.9 P -","- C48 H48 Cl2 O7.8 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.071","0.0565","","","0.1307","0.1367","","","","","","1.073","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238115","9.6029","0.0006","11.128","0.0007","11.5333","0.0007","75.131","0.001","73.415","0.001","71.343","0.001","1100.42","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.73 P -","- C24 H24 Cl O3.73 P -","- C48 H48 Cl2 O7.46 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.047","0.0406","","","0.0996","0.1033","","","","","","1.034","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238116","9.5924","0.0005","11.1652","0.0006","11.9082","0.0006","75.233","0.001","71.189","0.001","70.977","0.001","1125.23","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.84 P -","- C24 H24 Br O3.84 P -","- C48 H48 Br2 O7.68 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0509","0.035","","","0.0765","0.0811","","","","","","1.03","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238117","10.8495","0.0006","16.3505","0.0009","12.8342","0.0007","90","","91.889","0.001","90","","2275.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.5 P -","- C24 H24 Br O3.5 P -","- C96 H96 Br4 O14 P4 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0689","0.0376","","","0.0829","0.0908","","","","","","0.985","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238118","9.6626","0.0006","11.1999","0.0007","11.5831","0.0008","75.261","0.001","73.801","0.001","71.866","0.001","1124.51","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H24 As Cl O3.85 -","- C24 H24 As Cl O3.85 -","- C48 H48 As2 Cl2 O7.7 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.028","0.0258","","","0.0633","0.0642","","","","","","1.062","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238119","10.4668","0.0003","15.9259","0.0004","13.1947","0.0003","90","","101.444","0.001","90","","2155.74","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium chloride, hydrogenperoxide solvate","","- C24 H23 As Cl O3 -","- C24 H23 As Cl O3 -","- C96 H92 As4 Cl4 O12 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0358","0.0277","","","0.0715","0.0744","","","","","","1.055","","","","has coordinates","244073","2020-10-21","18:00:00",""
"7238120","10.8149","0.0002","12.7601","0.0003","15.4838","0.0004","82.691","0.001","80.994","0.001","86.723","0.001","2091.75","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H22 As Cl O1.98 -","- C24 H22 As Cl O1.98 -","- C96 H88 As4 Cl4 O7.92 -","4","2","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0482","0.0322","","","0.0761","0.0805","","","","","","0.983","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238121","9.771","0.003","10.467","0.006","11.703","0.007","99.62","0.03","101.62","0.04","117.14","0.03","996.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0718","0.0485","","","0.1172","0.1406","","","","","","0.932","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238122","12.007","0.006","9.772","0.005","21.546","0.011","90","","98.194","0.003","90","","2502","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-formylphenyl)methane: benzene inclusion","","","- C30 H30 O3 -","- C30 H30 O3 -","- C120 H120 O12 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1301","0.073","","","0.1912","0.2459","","","","","","1.014","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238123","12.11","0.004","9.815","0.003","21.26","0.006","90","","97.277","0.002","90","","2506.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-nitrophenyl)methane with benzene","","","- C28 H28 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1362","0.0626","","","0.1606","0.1966","","","","","","1.021","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238124","35.873","0.002","35.873","0.002","6.108","0.01","90","","90","","120","","6807","11","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","Bis(4-hydroxyphenyl)phenylmethane","Bis(4-hydroxyphenyl)phenylmethane","","- C114 H98 O13 -","- C19 H16 O2.16667 -","- C342 H288 O39 -","18","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0751","0.0572","","","0.1643","0.1841","","","","","","1.037","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238125","11.482","0.012","11.739","0.011","12.465","0.013","62.491","0.006","63.027","0.006","62.88","0.006","1262","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(4-hydroxy-2,6-dimethylphenyl)(4- aminophenyl)methane:Toluene solvate","","","- C30 H33 N O2 -","- C20 H22 N0.666667 O1.33333 -","- C60 H66 N2 O4 -","3","1.5","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1293","0.0794","","","0.2325","0.262","","","","","","1.151","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238126","9.692","0.002","11.739","0.003","12.104","0.007","112.155","0.003","101.102","0.004","91.062","0.004","1245.3","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","(Bis(4-hydroxy-3,5-dimethylphenyl)(4-hydroxyphenyl))methane","","","- C30 H32 O3 -","- C30 H31 O3 -","- C60 H62 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.081","0.0663","","","0.1893","0.2065","","","","","","1.045","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238127","5.331","0.004","14.537","0.013","15.166","0.014","85.576","0.006","88.042","0.006","85.168","0.006","1167.2","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(((4-hydroxy-3,5-dimethylphenyl)methyl)phenyl)nicotinamide","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1312","0.0797","","","0.0978","0.1503","","","","","","0.872","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238128","7.746","0.004","10.408","0.005","12.556","0.007","90","","100.061","0.008","90","","996.7","0.9","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0386","0.0359","","","0.0978","0.0996","","","","","","1.03","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238129","6.1134","0.0013","7.6139","0.0013","11.668","0.002","102.319","0.003","97.916","0.003","91.829","0.002","524.49","0.17","295","2","296","2","","","","","","","","3","P -1","-P 1","2","annulated myo-inositol","(1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.1005","0.0577","","","0.1353","0.1549","","","","","","1.017","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238130","12.559","0.004","12.916","0.004","13.86","0.004","87.959","0.006","87.627","0.006","70.606","0.006","2118.3","1.1","292","2","292","2","","","","","","","","3","P -1","-P 1","2","annulated chiro-inositol","(1R*,2S*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C80 H144 O48 -","8","4","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0916","0.0499","","","0.1116","0.1294","","","","","","0.967","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238131","13.7281","0.0005","10.14","0.0004","13.8928","0.0006","90","","118.578","0.001","90","","1698.3","0.12","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","","- C8.67 H17.57 N2.33 O3.29 -","- C8.66667 H17.574 N2.33333 O3.287 -","- C52 H105.444 N14 O19.722 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0436","0.0373","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238132","14.4539","0.0018","14.4539","0.0018","9.996","0.003","90","","90","","120","","1808.5","0.6","105","2","105","2","","","","","","","","4","P 61","P 61","169","L-Valyl-L-alanine","L-Valyl-L-alanine","","- C8.41 H16 N2 O3 -","- C8.411 H16 N2 O3 -","- C50.466 H96 N12 O18 -","6","1","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0564","0.0393","","","0.0875","0.0958","","","","","","1.11","","","","has coordinates","244076","2020-10-21","18:00:00",""
"7238133","14.0668","0.0013","9.8053","0.001","14.1915","0.0014","90","","116.172","0.002","90","","1756.7","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.28 H16 F0.85 N2 O4.13 -","- C8.27967 H16 F0.855 N2 O4.12933 -","- C49.678 H96 F5.13 N12 O24.776 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0601","0.0455","","","0.1135","0.1213","","","","","","1.139","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238134","14.0999","0.0014","9.814","0.001","14.2142","0.0014","90","","116.14","0.002","90","","1765.7","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.55 H15.94 N2 O4.08 -","- C8.56233 H15.9407 N2 O4.086 -","- C51.374 H95.644 N12 O24.516 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0598","0.0389","","","0.0908","0.1","","","","","","1.114","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238135","13.687","0.004","15.018","0.004","17.572","0.005","82.449","0.005","75.466","0.005","62.991","0.005","3114.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 Mn2 N6 O8 -","- C76 H50 Mn2 N6 O8 -","- C152 H100 Mn4 N12 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.1503","0.0576","","","0.0918","0.1175","","","","","","0.946","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238136","12.203","0.004","21.137","0.004","10.774","0.004","90","","90","","90","","2779","1.5","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C30 H24 Mn N6 O4 -","- C30 H24 Mn N6 O4 -","- C120 H96 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0767","0.0403","","","0.0897","0.1089","","","","","","1.021","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238137","12.0122","0.0018","10.5592","0.0015","25.048","0.004","90","","90","","90","","3177.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Mn N6 O4 -","- C38 H28 Mn N6 O4 -","- C152 H112 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0682","0.036","","","0.0886","0.0984","","","","","","1.035","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238138","8.6036","0.001","12.7431","0.0015","14.4016","0.0016","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0468","0.0309","","","0.0784","0.085","","","","","","1.045","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238139","4.3539","0.0008","13.406","0.003","14.073","0.003","90","","92.616","0.004","90","","820.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0646","0.0485","","","0.1443","0.1573","","","","","","0.974","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238140","8.4446","0.0002","12.9028","0.0003","14.4186","0.0003","90","","90","","90","","1571.04","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1049","0.1086","","","","","","1.06","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238141","13.498","0.003","4.3186","0.001","14.938","0.003","90","","111.365","0.004","90","","810.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0506","0.0395","","","0.1021","0.1111","","","","","","1.053","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238142","4.5023","0.0004","8.5886","0.0008","21.297","0.002","90","","90","","90","","823.52","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dimethyl-N-phenylformamide","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0348","0.031","","","0.1001","0.1074","","","","","","0.664","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238143","14.645","0.0005","11.5719","0.0004","15.0033","0.0005","90","","102.896","0.001","90","","2478.48","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","","","- C26 H29 Cl2 N O4 -","- C26 H29 Cl2 N O4 -","- C104 H116 Cl8 N4 O16 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.0567","0.0408","","","0.0977","0.1041","","","","","","0.949","","","","has coordinates","244081","2020-10-21","18:00:00",""
"7238144","7.4892","0.0004","13.3457","0.0007","24.0116","0.0013","90","","90.709","0.002","90","","2399.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","","- C26 H29 Cl2 N O4 -","- C26 H29 Cl2 N O4 -","- C104 H116 Cl8 N4 O16 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.1097","0.0476","","","0.09","0.1042","","","","","","0.828","","","","has coordinates,has disorder","244081","2020-10-21","18:00:00",""
"7238145","9.2741","0.0002","15.3177","0.0003","15.8154","0.0003","90","","91.025","0.001","90","","2246.34","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl2 N O3 -","- C24 H25 Cl2 N O3 -","- C96 H100 Cl8 N4 O12 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.0649","0.0418","","","0.1004","0.1086","","","","","","1.041","","","","has coordinates,has disorder","244081","2020-10-21","18:00:00",""
"7238146","19.03","0.004","7.23","0.0014","23.644","0.009","90","","123.76","0.02","90","","2704.5","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C51 H26 Co2 F18 O12 -","- C51 H26 Co2 F18 O12 -","- C102 H52 Co4 F36 O24 -","2","0.5","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.0531","0.0393","","","0.0906","0.0982","","","","","","1.029","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238147","12.71","0.003","6.98","0.0014","23.624","0.007","90","","118.5","0.02","90","","1841.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 Cu F6 O5 -","- C17 H10 Cu F6 O5 -","- C68 H40 Cu4 F24 O20 -","4","1","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.0981","0.0704","","","0.1264","0.141","","","","","","1.049","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238148","18.76","0.004","7.28","0.0015","23.402","0.009","90","","123.12","0.02","90","","2676.8","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C51 H26 Cu2 F18 O12 -","- C51 H26 Cu2 F18 O12 -","- C102 H52 Cu4 F36 O24 -","2","0.5","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.1051","0.0418","","","0.0862","0.1219","","","","","","1.085","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238149","16.769","0.003","12.475","0.003","12.346","0.003","90","","90","","90","","2582.7","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Co N4 O7 -","- C24 H28 Co N4 O7 -","- C96 H112 Co4 N16 O28 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0387","0.0333","","","0.0817","0.0845","","","","","","1.041","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238150","18.757","0.004","15.943","0.003","21.933","0.009","90","","118.48","0.02","90","","5765","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 Co2 N12 O11 -","- C58 H58 Co2 N12 O11 -","- C232 H232 Co8 N48 O44 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.0912","0.0505","","","0.1109","0.1275","","","","","","1.028","","","","has coordinates,has disorder","244084","2020-10-21","18:00:00",""
"7238151","11.568","0.002","14.658","0.003","16.15","0.006","90","","116.52","0.02","90","","2450.3","1.2","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H88 Co4 N16 O16 -","- C112 H88 Co4 N16 O16 -","- C112 H88 Co4 N16 O16 -","1","0.25","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0448","0.0357","","","0.0884","0.0924","","","","","","1.027","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238152","18.37","0.004","9.5403","0.0019","21.034","0.004","90","","90","","90","","3686.3","1.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Co N2 O4.25 -","- C21 H15 Co N2 O4.25 -","- C168 H120 Co8 N16 O34 -","8","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.162","0.0619","","","0.1107","0.1422","","","","","","0.939","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238153","12.345","0.003","11.545","0.002","18.41","0.007","90","","112.69","0.03","90","","2420.8","1.3","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co N4 O4 -","- C26 H26 Co N4 O4 -","- C104 H104 Co4 N16 O16 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0839","0.0458","","","0.0915","0.1039","","","","","","1.013","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238154","7.285","0.002","7.587","0.002","12.792","0.004","91.046","0.005","97.523","0.005","95.694","0.005","697.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O8 Zn -","- C14 H14 O8 Zn -","- C28 H28 O16 Zn2 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0447","0.0381","","","0.0908","0.0932","","","","","","1","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238155","6.9596","0.0009","8.2468","0.0011","13.2496","0.0018","87.769","0.003","82.874","0.002","69.443","0.002","706.52","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cd O8 -","- C14 H14 Cd O8 -","- C28 H28 Cd2 O16 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0377","0.0315","","","0.0808","0.0956","","","","","","0.996","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238156","4.6809","0.0009","5.7625","0.0011","26.781","0.005","87.236","0.004","89.406","0.003","84.635","0.003","718.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Co O9 -","- C14 H16 Co O9 -","- C28 H32 Co2 O18 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0566","0.045","","","0.0994","0.1042","","","","","","1.002","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238157","14.702","0.002","7.6396","0.0012","12.976","0.002","90","","92.489","0.003","90","","1456.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Eu N O9 -","- C14 H12 Eu N O9 -","- C56 H48 Eu4 N4 O36 -","4","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0547","0.04","","","0.083","0.0869","","","","","","1.001","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238158","14.687","0.0016","7.6577","0.0008","12.9674","0.0014","90","","92.456","0.002","90","","1457.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O9 Sm -","- C14 H12 N O9 Sm -","- C56 H48 N4 O36 Sm4 -","4","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0456","0.0385","","","0.0931","0.0973","","","","","","0.999","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238159","6.1081","0.0011","7.8775","0.0015","15.452","0.003","77.892","0.003","87.069","0.004","88.392","0.004","725.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Cd O7 -","- C16 H14 Cd O7 -","- C32 H28 Cd2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0618","0.0468","","","0.0776","0.0821","","","","","","1.001","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238160","4.9236","0.001","5.7501","0.0011","15.143","0.003","88.367","0.003","83.723","0.003","83.308","0.003","423.19","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Co O10 -","- C16 H20 Co O10 -","- C16 H20 Co O10 -","1","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0467","0.0428","","","0.1101","0.1129","","","","","","1.004","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238161","4.9002","0.0016","5.7233","0.0018","15.147","0.005","88.524","0.007","83.761","0.006","83.354","0.006","419.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Ni O10 -","- C16 H20 Ni O10 -","- C16 H20 Ni O10 -","1","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0535","0.0468","","","0.1092","0.1125","","","","","","1","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238162","3.92","0.0003","12.979","0.001","12.2368","0.0009","90","","93.153","0.003","90","","621.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1675","0.0722","","","0.1523","0.1794","","","","","","1.12","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238163","3.92","0.0003","12.979","0.001","12.2368","0.0009","90","","93.153","0.003","90","","621.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1534","0.0586","","","0.1106","0.1467","","","","","","0.918","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238164","3.91412","0.00016","12.9559","0.0006","12.2307","0.0006","90","","93.221","0.004","90","","619.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0596","0.047","","","0.158","0.1741","","","","","","1.07","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238165","3.91412","0.00016","12.9559","0.0006","12.2307","0.0006","90","","93.221","0.004","90","","619.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0597","0.0471","","","0.1559","0.1723","","","","","","1.06","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238166","3.9164","0.0002","12.9581","0.0006","12.237","0.0005","90","","93.238","0.002","90","","620.03","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0983","0.0558","","","0.0997","0.1094","","","","","","1.184","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238167","3.9164","0.0002","12.9581","0.0006","12.237","0.0005","90","","93.238","0.002","90","","620.03","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0898","0.0478","","","0.0777","0.0903","","","","","","0.978","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238168","3.91","0.0002","12.9349","0.0007","12.221","0.0006","90","","93.352","0.002","90","","617.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1046","0.0539","","","0.1092","0.1222","","","","","","1.18","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238169","3.91","0.0002","12.9349","0.0007","12.221","0.0006","90","","93.352","0.002","90","","617.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0968","0.0461","","","0.0884","0.1051","","","","","","1.016","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238170","3.9182","0.0002","12.9555","0.0008","12.2381","0.0007","90","","93.254","0.003","90","","620.23","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1507","0.075","","","0.2164","0.2512","","","","","","1.071","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238171","3.9182","0.0002","12.9555","0.0008","12.2381","0.0007","90","","93.254","0.003","90","","620.23","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1446","0.0685","","","0.1777","0.2215","","","","","","0.945","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238172","3.9236","0.0003","12.974","0.0008","12.2406","0.0007","90","","93.175","0.003","90","","622.15","0.07","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1271","0.0601","","","0.1277","0.1438","","","","","","1.168","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238173","3.9236","0.0003","12.974","0.0008","12.2406","0.0007","90","","93.175","0.003","90","","622.15","0.07","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1202","0.0531","","","0.106","0.1255","","","","","","1.021","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238174","3.9236","0.0003","25.948","0.0008","24.4812","0.0007","90","","93.175","0.003","90","","2488.6","0.2","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1429","0.0709","","","0.129","0.1536","","","","","","0.965","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238175","3.9239","0.0002","12.9733","0.0006","12.2398","0.0006","90","","93.192","0.002","90","","622.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0967","0.0586","","","0.1454","0.1572","","","","","","1.217","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238176","3.9239","0.0002","12.9733","0.0006","12.2398","0.0006","90","","93.192","0.002","90","","622.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0879","0.0494","","","0.1116","0.1278","","","","","","0.991","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238177","3.9239","0.0002","25.9466","0.0006","24.4796","0.0006","90","","93.192","0.002","90","","2488.45","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1071","0.0649","","","0.1053","0.1191","","","","","","1.002","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238178","3.922","0.0002","12.9245","0.0007","12.3038","0.0007","90","","92.957","0.002","90","","622.85","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1093","0.0552","","","0.1541","0.1858","","","","","","1.052","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238179","3.922","0.0002","12.9245","0.0007","12.3038","0.0007","90","","92.957","0.002","90","","622.85","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1079","0.0543","","","0.1511","0.1835","","","","","","1.039","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238180","3.91649","0.0001","12.9357","0.0003","12.3004","0.0003","90","","92.999","0.002","90","","622.32","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0724","0.0555","","","0.1823","0.2053","","","","","","1.044","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238181","3.91649","0.0001","12.9357","0.0003","12.3004","0.0003","90","","92.999","0.002","90","","622.32","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0718","0.055","","","0.1777","0.2016","","","","","","1.025","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238182","3.9118","0.0002","12.947","0.0005","12.226","0.0004","90","","93.191","0.002","90","","618.24","0.04","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0668","0.0442","","","0.1172","0.1286","","","","","","1.097","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238183","3.9118","0.0002","12.947","0.0005","12.226","0.0004","90","","93.191","0.002","90","","618.24","0.04","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.065","0.0425","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238184","3.9227","0.0002","12.9764","0.0007","12.2535","0.0006","90","","93.2","0.002","90","","622.76","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.137","0.0802","","","0.2413","0.2719","","","","","","1.112","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238185","3.9227","0.0002","12.9764","0.0007","12.2535","0.0006","90","","93.2","0.002","90","","622.76","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1239","0.0669","","","0.1727","0.2176","","","","","","0.89","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238186","3.9227","0.0002","25.9528","0.0007","24.507","0.0006","90","","93.2","0.002","90","","2491.05","0.16","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1419","0.0746","","","0.1949","0.2417","","","","","","0.997","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238187","3.9216","0.0003","12.9663","0.001","12.2348","0.0009","90","","93.153","0.003","90","","621.18","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1832","0.0706","","","0.1595","0.2167","","","","","","0.94","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238188","3.9216","0.0003","12.9663","0.001","12.2348","0.0009","90","","93.153","0.003","90","","621.18","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1831","0.0706","","","0.1595","0.2167","","","","","","0.94","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238189","3.9221","0.0004","12.9733","0.0012","12.2509","0.0012","90","","93.149","0.003","90","","622.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.161","0.0493","","","0.0987","0.1333","","","","","","0.941","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238190","3.9221","0.0004","12.9733","0.0012","12.2509","0.0012","90","","93.149","0.003","90","","622.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.161","0.0493","","","0.0987","0.1333","","","","","","0.941","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238191","3.9208","0.0002","12.9696","0.0007","12.2508","0.0007","90","","93.138","0.002","90","","622.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1076","0.045","","","0.0971","0.1216","","","","","","1.011","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238192","3.9208","0.0002","12.9696","0.0007","12.2508","0.0007","90","","93.138","0.002","90","","622.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1068","0.0446","","","0.0955","0.1203","","","","","","1.001","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238193","3.922","0.0002","12.9786","0.0005","12.2507","0.0006","90","","93.128","0.002","90","","622.66","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0751","0.0435","","","0.1194","0.1386","","","","","","1.029","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238194","3.922","0.0002","12.9786","0.0005","12.2507","0.0006","90","","93.128","0.002","90","","622.66","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0739","0.0419","","","0.1112","0.1324","","","","","","0.984","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238195","3.9192","0.0001","12.963","0.0004","12.2399","0.0004","90","0.002","93.188","0.002","90","0.002","620.88","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0611","0.042","","","0.1107","0.1222","","","","","","1.083","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238196","3.9192","0.0001","12.963","0.0004","12.2399","0.0004","90","0.002","93.188","0.002","90","0.002","620.88","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.06","0.0408","","","0.1041","0.1168","","","","","","1.036","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238197","3.9173","0.0001","12.9563","0.0003","12.2343","0.0003","90","0.001","93.151","0.001","90","0.001","620","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0622","0.0445","","","0.1168","0.1269","","","","","","1.081","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238198","3.9173","0.0001","12.9563","0.0003","12.2343","0.0003","90","0.001","93.151","0.001","90","0.001","620","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1192","","","","","","1.017","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238199","3.9173","0.0001","25.9126","0.0003","24.4686","0.0003","90","0.001","93.151","0.001","90","0.001","2479.99","0.08","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1131","0.0566","","","0.1222","0.1496","","","","","","0.986","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238200","3.91514","0.00005","12.96036","0.00016","12.22634","0.00016","90","","93.1916","0.0012","90","","619.422","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0555","0.048","","","0.1487","0.1532","","","","","","1.138","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238201","3.91514","0.00005","12.96036","0.00016","12.22634","0.00016","90","","93.1916","0.0012","90","","619.422","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0506","0.0435","","","0.122","0.1275","","","","","","0.949","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238202","3.9239","0.0003","12.9707","0.0009","12.2375","0.0008","90","","93.236","0.003","90","","621.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1213","0.0603","","","0.1208","0.1367","","","","","","1.153","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238203","3.9239","0.0003","12.9707","0.0009","12.2375","0.0008","90","","93.236","0.003","90","","621.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.111","0.0499","","","0.0887","0.1104","","","","","","0.932","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238204","7.9968","0.0016","11.764","0.002","11.929","0.002","74.18","0.03","88.87","0.03","89.89","0.03","1079.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","DIPZ","DIPZ","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0969","0.0543","","","0.1147","0.1328","","","","","","0.971","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238205","41.692","0.008","8.3351","0.0017","22.227","0.004","90","","95.7","0.03","90","","7686","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DIPZ+HSO4","","","- C40 H51 N5 O4 S -","- C40 H51 N5 O4 S -","- C320 H408 N40 O32 S8 -","8","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1007","0.0686","","","0.193","0.2171","","","","","","1.057","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238206","13.188","0.003","14.799","0.003","18.574","0.004","90","","90","","90","","3625.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DIPZ+Br","","","- C40 H50 Br N5 -","- C40 H50 Br N5 -","- C160 H200 Br4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1193","0.0752","","","0.1594","0.1833","","","","","","0.986","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238207","13.965","0.003","20.364","0.004","15.881","0.003","90","","94.42","0.03","90","","4502.9","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DIPZ+BzO","","","- C51 H63 N5 O4 -","- C51 H63 N5 O4 -","- C204 H252 N20 O16 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1777","0.0969","","","0.247","0.2948","","","","","","1.002","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238208","22.428","0.006","8.4214","0.0017","19.787","0.008","90","","113.21","0.03","90","","3435","2","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","DIPZ+F","","","- C40 H50 F N5 -","- C40 H50 F N5 -","- C160 H200 F4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0972","0.0626","","","0.1297","0.14","","","","","","1.011","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238209","21.802","0.004","8.4417","0.0017","22.56","0.005","90","","118.82","0.03","90","","3637.8","1.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DIPZ+OAc","","","- C42 H53 N5 O2 -","- C42 H53 N5 O2 -","- C168 H212 N20 O8 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0715","0.0521","","","0.1266","0.1389","","","","","","1.058","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238210","9.5475","0.0019","21.996","0.005","17.778","0.004","90","","96.892","0.004","90","","3706.5","1.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DIPZ+SiF6","","","- C80 H100 F6 N10 Si -","- C80 H100 F6 N10 Si -","- C160 H200 F12 N20 Si2 -","2","0.5","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.123","0.05","","","0.1108","0.1446","","","","","","1.003","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238211","6.7699","0.0004","12.5368","0.0007","12.755","0.0006","90","","104.12","0.004","90","","1049.85","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 Co O4 -","- C10 H14 Co O4 -","- C40 H56 Co4 O16 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.101","0.0551","","","0.1021","0.1186","","","","","","0.942","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238212","13.361","0.0007","13.0991","0.0006","13.361","0.0007","90","","116.375","0.001","90","","2094.99","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H60 Cu2 O16 -","- C40 H60 Cu2 O16 -","- C80 H120 Cu4 O32 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.0759","0.0535","","","0.1146","0.1366","","","","","","0.962","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238213","10.5301","0.0005","13.1928","0.0009","17.04","","90","","107.961","0.005","90","","2251.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.1036","0.0386","","","0.0959","0.1067","","","","","","0.827","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238214","8.2241","0.0004","8.5725","0.0004","15.5081","0.0007","90","","93.794","0.004","90","","1090.94","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0377","0.0325","","","0.0874","0.092","","","","","","0.887","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238215","17.5911","0.0011","8.5439","0.0004","15.594","0.001","90","","113.022","0.008","90","","2157.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0597","0.0324","","","0.0708","0.0748","","","","","","0.856","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238216","10.8598","0.0003","8.5347","0.0002","11.4387","0.0003","90","","91.941","0.002","90","","1059.59","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0462","0.0315","","","0.1005","0.1044","","","","","","1.128","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238217","10.4125","0.0005","15.2429","0.001","14.3121","0.0006","90","","91.042","0.004","90","","2271.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.1031","0.051","","","0.1165","0.1288","","","","","","0.985","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238218","5.84","0.005","4.871","0.004","10.764","0.01","90","","91.656","0.016","90","","306.1","0.5","210","2","210","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","Phenylmethanol","Phenylmethanol","","- C7 H8 O -","- C7 H8 O -","- C14 H16 O2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1185","0.0897","","","0.2386","0.2555","","","","","","1.13","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238219","10.623","0.003","10.623","0.003","5.5031","0.0018","90","","90","","90","","621","0.3","150","2","150","2","","","","","","","see text","3","P 43","P 4cw","78","Phenylmethanamine","Phenylmethanamine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0449","0.0331","","","0.079","0.0837","","","","","","1.075","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238220","8.2424","0.0019","11.268","0.003","7.8204","0.0018","90","","112.657","0.003","90","","670.3","0.3","150","2","150","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","1-(Chloromethyl)benzene","1-(Chloromethyl)benzene","","- C7 H7 Cl -","- C7 H7 Cl -","- C28 H28 Cl4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0513","0.0454","","","0.1059","0.1086","","","","","","1.15","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238221","4.592","0.002","7.737","0.004","9.507","0.005","90","","94.213","0.008","90","","336.9","0.3","150","2","150","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","1-(bromomethyl)benzene","1-(bromomethyl)benzene","","- C7 H7 Br -","- C7 H7 Br -","- C14 H14 Br2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0817","0.0587","","","0.14","0.151","","","","","","1.003","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238222","5.5515","0.0007","14.8529","0.0019","8.0053","0.001","90","","100.668","0.002","90","","648.68","0.14","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","Phenylmethanethiol","Phenylmethanethiol","","- C7 H8 S -","- C7 H8 S -","- C28 H32 S4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0279","0.0272","","","0.0748","0.0753","","","","","","1.105","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238223","6.914","0.002","7.476","0.003","9.563","0.001","90","","90","","90","","494.3","0.2","150","2","150","2","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1197","0.0554","","","0.0991","0.1159","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238224","7.5889","0.0011","5.8186","0.0009","26.982","0.004","90","","106.136","0.002","90","","1144.5","0.3","150","2","150","2","","","","","","","see text","2","P 1 21/c 1","-P 2ybc","14","toluene","toluene","","- C7 H8 -","- C7 H8 -","- C56 H64 -","8","2","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.049","0.0439","","","0.1165","0.1204","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238225","8.134","0.003","8.783","0.002","9.412","0.003","90","","96.368","0.006","90","","668.3","0.4","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","2-phenylacetonitrile","2-phenylacetonitrile","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0635","0.0452","","","0.1","0.1072","","","","","","1.051","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238226","11.1273","0.0018","6.5676","0.0012","14.1016","0.0019","90","","101.282","0.006","90","","1010.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.71073","MoKα","","0.0831","0.0478","","","0.1088","0.1253","","","","","","1.032","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238227","11.6196","0.0007","6.3329","0.0004","15.4169","0.001","90","","92.831","0.005","90","","1133.08","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.7107","MoKα","","0.0753","0.0524","","","0.0741","0.0792","","","","","","1.14","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238228","6.169","0.002","6.177","0.002","17.569","0.009","84.46","0.04","86.65","0.04","66.44","0.02","610.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.7107","MoKα","","0.148","0.0773","","","0.2293","0.2554","","","","","","1.007","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238229","10.41","0.003","6.865","0.002","14.194","0.003","90","","105.17","0.01","90","","979","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","0.5","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.71073","MoKα","","0.1226","0.0526","","","0.0994","0.133","","","","","","1.032","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238230","6.0029","0.0001","9.4374","0.0001","10.4741","0.0001","98.225","0.001","94.759","0.001","107.841","0.001","553.945","0.013","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Eu O9 S -","- C8 H7 Eu O9 S -","- C16 H14 Eu2 O18 S2 -","2","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0259","0.0237","","","0.0579","0.0591","","","","","","1.046","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238231","6.9605","0.0001","17.6633","0.0002","15.9655","0.0002","90","","90.585","0.001","90","","1962.78","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Eu N2 O8 S -","- C20 H13 Eu N2 O8 S -","- C80 H52 Eu4 N8 O32 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0335","0.025","","","0.0545","0.0578","","","","","","1.019","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238232","10.2533","0.0008","16.2583","0.0013","12.0825","0.0014","90","","96.909","0.002","90","","1999.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H15 Eu N2 O9 S -","- C20 H15 Eu N2 O9 S -","- C80 H60 Eu4 N8 O36 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0401","0.0366","","","0.0869","0.0894","","","","","","1.059","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238233","9.2909","0.0003","14.594","0.0003","13.9707","0.0003","90","","95.141","0.001","90","","1886.69","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Eu N2 O8 S -","- C20 H13 Eu N2 O8 S -","- C80 H52 Eu4 N8 O32 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0224","0.0207","","","0.0545","0.0555","","","","","","1.033","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238234","8.5891","0.0012","10.7816","0.0015","18.136","0.002","90","","100.141","0.002","90","","1653.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O14 Sm -","- C10 H19 O14 Sm -","- C40 H76 O56 Sm4 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0515","0.0408","","","0.0764","0.0795","","","","","","1.013","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238235","8.5764","0.0008","10.7704","0.0011","18.0954","0.0017","90","","100.167","0.002","90","","1645.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Eu O14 -","- C10 H19 Eu O14 -","- C40 H76 Eu4 O56 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0436","0.0395","","","0.102","0.1051","","","","","","1.014","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238236","8.5537","0.0009","10.7371","0.0011","18.0139","0.0018","90","","100.193","0.002","90","","1628.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Dy O14 -","- C10 H19 Dy O14 -","- C40 H76 Dy4 O56 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0341","0.0296","","","0.0726","0.0737","","","","","","1.015","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238237","12.4166","0.0016","19.045","0.003","13.6377","0.0018","90","","111.917","0.002","90","","2991.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Ni4 O24 -","- C20 H28 Ni4 O24 -","- C80 H112 Ni16 O96 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0643","0.0491","","","0.1231","0.1306","","","","","","1.013","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238238","8.318","0.002","10.011","0.002","10.856","0.003","62.661","0.004","72.166","0.005","75.526","0.005","758","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cu2 N O8 -","- C15 H10 Cu2 N O8 -","- C30 H20 Cu4 N2 O16 -","2","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.086","0.061","","","0.1279","0.1329","","","","","","1.044","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238239","6.581","0.005","7.653","0.005","12.83","0.01","83.21","0.02","78.45","0.04","84.25","0.03","626.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Al N2 O5 -","- C14 H8 Al N2 O5 -","- C28 H16 Al2 N4 O10 -","2","1","","Volkringer, Christophe; Loiseau, Thierry; Devic, Thomas; Férey, Gérard; Popov, Dmitry; Burghammer, M.; Riekel, C.","A layered coordination polymer based on an azodibenzoate linker connected to aluminium (MIL-129)","CrystEngComm","2010","12","10","3225","","10.1039/c002214d","","","0.9613","synchrotron","","0.0845","0.0709","","","0.1784","0.1891","","","","","","1.087","","","","has coordinates","244095","2020-10-21","18:00:00",""
"7238240","13.197","0.006","9.59","0.004","14.161","0.006","90","","98.895","0.007","90","","1770.7","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Cd2 N4 O12 -","- C10 H20 Cd2 N4 O12 -","- C40 H80 Cd8 N16 O48 -","4","0.5","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0683","0.0513","","","0.1371","0.1665","","","","","","1.083","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238241","7.705","0.007","13.169","0.01","6.581","0.006","90","","108.864","0.012","90","","631.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O6 Zn2 -","- C10 H18 N2 O6 Zn2 -","- C20 H36 N4 O12 Zn4 -","2","0.5","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0481","0.0317","","","0.0779","0.1092","","","","","","1.081","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238242","9.955","0.008","7.032","0.005","10.184","0.008","90","","98.489","0.011","90","","705.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O7 -","- C10 H22 Cu N2 O7 -","- C20 H44 Cu2 N4 O14 -","2","1","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0365","0.0339","","","0.0659","0.0672","","","","","","1.021","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238243","22.0528","0.0018","6.3612","0.0005","24.693","0.002","90","","90","","90","","3464","0.5","115","2","115","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1184","","","","","","1.053","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238244","6.6512","0.0005","23.512","0.0017","12.0859","0.0009","90","","95.602","0.001","90","","1881","0.2","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F6 O4 -","- C21 H14 F6 O4 -","- C84 H56 F24 O16 -","4","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0542","0.0409","","","0.0954","0.1016","","","","","","1.039","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238245","22.4272","0.0017","6.1401","0.0005","11.1047","0.0009","90","","103.384","0.001","90","","1487.6","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0563","0.0451","","","0.1069","0.1129","","","","","","1.046","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238246","10.2936","0.0006","13.0927","0.0008","24.4245","0.0015","90","","96.836","0.003","90","","3268.3","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 O5 -","- C43 H34 O5 -","- C172 H136 O20 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.1008","0.0777","","","0.1686","0.1806","","","","","","1.172","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238247","22.069","0.007","8.189","0.003","28.795","0.009","90","","109.128","0.005","90","","4917","3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 N3 O5 -","- C58 H46 N3 O5 -","- C232 H184 N12 O20 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.1178","0.0672","","","0.1726","0.2138","","","","","","1.038","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238248","10.7093","0.0007","8.1477","0.0004","12.8858","0.0008","90","","102.935","0.003","90","","1095.83","0.11","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.045","0.038","","","0.083","0.0864","","","","","","0.999","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238249","21.878","0.011","8.005","0.004","29.006","0.014","90","","92.085","0.008","90","","5077","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H25 N2 O3.5 -","- C31.5 H25 N2 O3.5 -","- C252 H200 N16 O28 -","8","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.0953","0.051","","","0.1453","0.183","","","","","","1.058","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238250","12.7629","0.0017","15.811","0.002","16.351","0.002","90","","97.546","0.002","90","","3271","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N4 O3 -","- C40 H30 N4 O3 -","- C160 H120 N16 O12 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.1266","0.0485","","","0.1167","0.1554","","","","","","0.981","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238251","33.225","0.004","9.851","0.001","17.7341","0.0019","90","","99.335","0.002","90","","5727.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Me2NH2)2(Co3(1,4-bdc)4)4DMF","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei; Qi, Xiao-Lin; Chen, Xiao-Ming","Two temperature-induced isomers of metal-carboxylate frameworks based on different linear trinuclear Co3(RCOO)8 clusters exhibiting different magnetic behaviours","CrystEngComm","2010","12","11","3834","","10.1039/c003032e","","","0.71073","MoKα","","0.1106","0.095","","","0.2537","0.2685","","","","","","1.033","","","","has coordinates,has disorder","244099","2020-10-21","18:00:00",""
"7238252","33.232","0.004","9.767","0.0012","18.311","0.002","90","","92.609","0.002","90","","5937.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Me2NH2)2(Co3(1,4-bdc)4)4DMF","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei; Qi, Xiao-Lin; Chen, Xiao-Ming","Two temperature-induced isomers of metal-carboxylate frameworks based on different linear trinuclear Co3(RCOO)8 clusters exhibiting different magnetic behaviours","CrystEngComm","2010","12","11","3834","","10.1039/c003032e","","","0.71073","MoKα","","0.1158","0.0739","","","0.1986","0.2298","","","","","","1.049","","","","has coordinates,has disorder","244099","2020-10-21","18:00:00",""
"7238253","10.234","0.006","12.233","0.008","19.624","0.012","75.101","0.01","86.624","0.01","68.199","0.01","2203","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cl2 N6 O10 Ru -","- C42 H38 Cl2 N6 O10 Ru -","- C84 H76 Cl4 N12 O20 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0953","0.0803","","","0.214","0.2268","","","","","","1.082","","","","has coordinates","244100","2020-10-21","18:00:00",""
"7238254","14.987","0.002","17.376","0.002","20.581","0.003","85.807","0.002","69.379","0.002","71.147","0.002","4742.1","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cl2 N6 O5 Ru -","- C46 H42 Cl2 N6 O5 Ru -","- C184 H168 Cl8 N24 O20 Ru4 -","4","2","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.1108","0.0593","","","0.1478","0.179","","","","","","1.08","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238255","10.8745","0.0017","22.564","0.004","19.08","0.003","90","","104.691","0.003","90","","4528.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Fe N6 O12 S -","- C44 H48.5 Fe N6 O12 S -","- C176 H194 Fe4 N24 O48 S4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.1133","0.0668","","","0.1573","0.1844","","","","","","1.05","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238256","10.2954","0.0011","29.813","0.003","20.198","0.002","90","","100.254","0.002","90","","6100.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 Ni O23 Ru -","- C56 H58 N8 Ni O23 Ru -","- C224 H232 N32 Ni4 O92 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0724","0.0425","","","0.0848","0.0968","","","","","","1.023","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238257","9.1806","0.0008","15.0165","0.0014","19.4587","0.0018","83.288","0.002","80.129","0.002","74.624","0.002","2541.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 N6 O10 Ru S2 -","- C56 H50 N6 O10 Ru S2 -","- C112 H100 N12 O20 Ru2 S4 -","2","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0445","0.0351","","","0.0759","0.0803","","","","","","1.048","","","","has coordinates","244100","2020-10-21","18:00:00",""
"7238258","10.7037","0.0015","10.7037","0.0015","15.839","0.003","90","","90","","90","","1814.7","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cd N10 O2 -","- C16 H12 Cd N10 O2 -","- C64 H48 Cd4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0296","0.0292","","","0.0552","0.0553","","","","","","1.23","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238259","7.3812","0.0015","9.886","0.002","12.798","0.003","90","","106.76","0.03","90","","894.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag N5 O -","- C8 H6 Ag N5 O -","- C32 H24 Ag4 N20 O4 -","4","1","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0669","0.0582","","","0.092","0.0952","","","","","","1.234","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238260","9.6804","0.0019","8.6933","0.0017","19.83","0.004","90","","90","","90","","1668.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Mn N10 O2 -","- C16 H12 Mn N10 O2 -","- C64 H48 Mn4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0632","0.0611","","","0.1001","0.1009","","","","","","1.336","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238261","9.5801","0.0019","8.4014","0.0017","20.163","0.004","90","","90","","90","","1622.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cu N10 O2 -","- C16 H12 Cu N10 O2 -","- C64 H48 Cu4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0894","0.0873","","","0.1354","0.1361","","","","","","1.39","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238262","6.9973","0.0014","10.231","0.002","24.861","0.005","90","","93.06","0.03","90","","1777.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N10 O2 Pb -","- C16 H12 N10 O2 Pb -","- C64 H48 N40 O8 Pb4 -","4","1","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0453","0.0409","","","0.1002","0.1036","","","","","","1.052","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238263","7.3372","0.0006","10.6553","0.0008","10.6128","0.0008","90","","97.705","0.001","90","","822.22","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 N O7 P2 -","- C2 H11 N O7 P2 -","- C8 H44 N4 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0331","0.0309","","","0.0863","0.0885","","","","","","1.066","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238264","10.9976","0.0009","6.9889","0.0006","12.5997","0.001","90","","113.564","0.001","90","","887.67","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H13 N O7 P2 -","- C3 H13 N O7 P2 -","- C12 H52 N4 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0322","0.0306","","","0.0869","0.0879","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238265","5.6936","0.0007","8.1718","0.001","10.6221","0.0012","72.749","0.002","79.075","0.002","84.784","0.002","463.11","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 N2 O6 P2 -","- C4 H15 N2 O6 P2 -","- C8 H30 N4 O12 P4 -","2","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0296","0.0285","","","0.0772","0.078","","","","","","1.076","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238266","23.557","0.0017","5.7463","0.0004","18.8938","0.0013","90","","121.96","0.001","90","","2169.9","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H16 N2 O6 P2 -","- C5 H14 N2 O6 P2 -","- C40 H112 N16 O48 P16 -","8","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0333","0.0311","","","0.0916","0.0937","","","","","","1.091","","","","has coordinates,has disorder","244102","2020-10-21","18:00:00",""
"7238267","8.7719","0.0006","11.5346","0.0008","12.2848","0.0009","90","","90","","90","","1242.98","0.15","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0217","0.0212","","","0.0588","0.0592","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238268","9.9533","0.0008","6.9947","0.0006","18.0126","0.0015","90","","103.36","0.001","90","","1220.11","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0283","0.0265","","","0.0798","0.0809","","","","","","1.094","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238269","5.7306","0.0005","19.9861","0.0018","11.2688","0.001","90","","101.342","0.001","90","","1265.44","0.19","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 N3 O7 P2 -","- C6 H21 N3 O7 P2 -","- C24 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0288","0.0267","","","0.0786","0.08","","","","","","1.083","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238270","19.629","0.008","6.963","0.003","20.786","0.011","90","","117.99","0.005","90","","2509","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 N2 O9 P2 -","- C4 H20 N2 O9 P2 -","- C32 H160 N16 O72 P16 -","8","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0298","0.0274","","","0.0765","0.0784","","","","","","1.118","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238271","10.2183","0.0013","11.3812","0.0014","12.9323","0.0016","113.731","0.002","94.737","0.003","101.552","0.002","1326.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 Co2 N3 O12 -","- C25 H28 Co2 N3 O12 -","- C50 H56 Co4 N6 O24 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.0755","0.0553","","","0.1175","0.1288","","","","","","1.028","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238272","25.741","0.013","11.376","0.005","19.605","0.009","90","","114.165","0.009","90","","5238","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 Co4 N6 O23 -","- C50 H54 Co4 N6 O23 -","- C200 H216 Co16 N24 O92 -","4","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.1566","0.0575","","","0.0829","0.1113","","","","","","0.821","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238273","7.3292","0.0006","20.3154","0.0014","9.9169","0.0008","90","","99.256","0.008","90","","1457.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Co2 N4 O10 -","- C30 H28 Co2 N4 O10 -","- C60 H56 Co4 N8 O20 -","2","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","1.54178","CuKα","","0.0691","0.0434","","","0.086","0.0907","","","","","","0.853","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238274","6.5613","0.0013","24.646","0.005","11.088","0.002","90","","99.26","0.03","90","","1769.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Co2 N4 O14 -","- C34 H36 Co2 N4 O14 -","- C68 H72 Co4 N8 O28 -","2","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.1324","0.0634","","","0.145","0.184","","","","","","1.043","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238276","14.3232","0.0009","16.4424","0.0011","13.4342","0.0008","90","","101.32","0.003","90","","3102.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetraacetyl-a,a'-diamino-m-xylene","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C128 H160 N16 O32 -","8","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0605","0.0427","","","0.1095","0.1182","","","","","","0.998","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238277","12.5627","0.0005","13.5463","0.0004","9.3888","0.0003","90","","95.444","0.002","90","","1590.56","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetraacetyl-alpha,alpha'-diamino-p-xylene","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0529","0.0461","","","0.1151","0.119","","","","","","1.126","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238278","9.5245","0.0006","10.33","0.0007","8.7471","0.0006","90","","106.108","0.004","90","","826.82","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NAP-12 tetraacetyl 1,5-naphthalenediamine","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0742","0.0497","","","0.1508","0.1694","","","","","","1.045","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238279","12.3457","0.0013","5.8212","0.0006","10.0737","0.001","90","","107.176","0.007","90","","691.68","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-tetraacetyl 1,4-cyclohexanediamine","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0751","0.068","","","0.1739","0.183","","","","","","1.331","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238280","5.915","0.0004","10.1956","0.0007","9.1495","0.0007","90","","96.388","0.005","90","","548.35","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-tetraacetyl ethylenediamine","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0652","0.061","","","0.1556","0.1608","","","","","","1.104","","","","has coordinates,has disorder","244105","2020-10-21","18:00:00",""
"7238281","7.3645","0.0004","12.3273","0.0007","11.7535","0.0006","90","","100.6","0.003","90","","1048.83","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetraacetyl 1,4-diaminobutane Cu(OH2)2 (ClO4)2 (H2O)2","","- C12 H24 Cl2 Cu N2 O14 -","- C12 H24 Cl2 Cu N2 O14 -","- C24 H48 Cl4 Cu2 N4 O28 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0559","0.0459","","","0.1106","0.1203","","","","","","1.051","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238282","14.7246","0.0015","11.3474","0.0011","7.8352","0.0008","90","","90.917","0.005","90","","1309","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetraacetyl 1,4-butanediamine","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0801","0.0635","","","0.1625","0.1776","","","","","","1.103","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238283","20.0183","0.0005","4.543","0.0001","20.597","0.0005","90","","110.986","0.001","90","","1748.91","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetraacetyl-1,8-diaminooctane","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0501","0.0424","","","0.1351","0.1408","","","","","","1.14","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238284","20.223","0.003","7.9438","0.0012","14.875","0.002","90","","97.797","0.009","90","","2367.5","0.6","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Zn(OH2)2 (Ac2N-(CH2)6-NAc2)","","- C14 H28 Cl2 N2 O14 Zn -","- C14 H28 Cl2 N2 O14 Zn -","- C56 H112 Cl8 N8 O56 Zn4 -","4","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.1386","0.0714","","","0.1623","0.1895","","","","","","0.874","","","","has coordinates,has disorder","244105","2020-10-21","18:00:00",""
"7238285","11.2192","0.0006","11.2192","","32.2233","0.0018","90","","90","","120","","3512.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 31","P 31","144","","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0356","0.0349","","","0.0779","0.082","","","","","","1.161","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238286","11.2067","0.0006","11.207","","32.115","0.002","90","","90","","120","","3493.1","0.3","293","2","293","2","","","","","","","","4","P 32","P 32","145","Dithiolone-thione (R)-3","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0947","0.0864","","","0.2189","0.2246","","","","","","1.123","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238287","11.181","0.002","8.5699","0.0017","41.84","0.008","90","","90","","90","","4009.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C200 H128 O24 S16 -","8","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1127","0.0418","","","0.1082","0.1612","","","","","","1.014","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238288","7.828","0.0018","11.193","0.003","17.395","0.004","72.117","0.012","88.424","0.013","71.483","0.013","1371.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Binapth-TTF(CO2Me)2","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C64 H44 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0462","0.0352","","","0.0895","0.0972","","","","","","1.022","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238289","7.895","0.006","37.71","0.02","10.367","0.004","90","","103.31","0.04","90","","3004","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 N4 O9 S8 -","- C64 H48 N4 O9 S8 -","- C128 H96 N8 O18 S16 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.2219","0.0741","","","0.0753","0.0999","","","","","","1.004","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238290","11.444","0.005","8.203","0.005","19.741","0.005","90","0.005","106.302","0.005","90","0.005","1778.7","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 S4 -","- C38 H36 N2 O6 S4 -","- C76 H72 N4 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1622","0.0697","","","0.1239","0.1577","","","","","","0.969","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238291","8.4779","0.0009","11.7236","0.0018","20.177","0.003","90","","91.735","0.008","90","","2004.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1291","0.0725","","","0.1717","0.2005","","","","","","1.03","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238292","35.007","0.013","7.425","0.002","11.354","0.005","90","","105.52","0.03","90","","2843.6","1.9","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C128 H88 O24 S16 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0732","0.0594","","","0.1172","0.1237","","","","","","1.08","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238293","11.4261","0.0006","8.1962","0.0004","19.7771","0.0008","90","","104.035","0.006","90","","1796.85","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N2 O6 S6 -","- C34 H32 N2 O6 S6 -","- C68 H64 N4 O12 S12 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0954","0.0525","","","0.104","0.1208","","","","","","1.037","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238294","8.4781","0.0005","11.7306","0.0007","20.1726","0.0009","90","","91.661","0.006","90","","2005.39","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0912","0.0677","","","0.1784","0.1947","","","","","","1.033","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238295","27.6611","0.0018","10.8856","0.0007","20.7761","0.0014","90","","110.693","0.001","90","","5852.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 Nd O13 -","- C28 H22 Ag N4 Nd O13 -","- C224 H176 Ag8 N32 Nd8 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0445","0.0411","","","0.1075","0.1102","","","","","","1.072","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238296","27.543","0.003","10.809","0.0011","20.637","0.002","90","","110.706","0.002","90","","5747","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 O13 Sm -","- C28 H22 Ag N4 O13 Sm -","- C224 H176 Ag8 N32 O104 Sm8 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0461","0.0401","","","0.114","0.118","","","","","","1.041","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238297","27.647","0.003","10.9007","0.001","20.8067","0.0019","90","","110.571","0.001","90","","5870.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag Eu N4 O13 -","- C28 H22 Ag Eu N4 O13 -","- C224 H176 Ag8 Eu8 N32 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0508","0.0475","","","0.1357","0.138","","","","","","1.044","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238298","27.607","0.002","10.7939","0.001","20.6785","0.0019","90","","110.828","0.001","90","","5759.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag Gd N4 O13 -","- C28 H22 Ag Gd N4 O13 -","- C224 H176 Ag8 Gd8 N32 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0522","0.0492","","","0.1409","0.144","","","","","","1.087","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238299","27.572","0.002","10.7584","0.0008","20.6212","0.0016","90","","110.856","0.001","90","","5716.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 O13 Tb -","- C28 H22 Ag N4 O13 Tb -","- C224 H176 Ag8 N32 O104 Tb8 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0524","0.0471","","","0.1302","0.1353","","","","","","0.976","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238300","10.5151","0.001","11.19","0.0011","13.7534","0.0013","107.969","0.002","106.787","0.001","103.22","0.002","1381.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag La N4 O11 -","- C28 H18 Ag La N4 O11 -","- C56 H36 Ag2 La2 N8 O22 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0353","0.0334","","","0.0913","0.0926","","","","","","1.035","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238301","10.499","0.002","11.141","0.002","13.738","0.003","107.772","0.003","106.823","0.003","102.759","0.004","1377.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag N4 O11 Pr -","- C28 H18 Ag N4 O11 Pr -","- C56 H36 Ag2 N8 O22 Pr2 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0368","0.036","","","0.0966","0.0974","","","","","","1.031","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238302","10.4585","0.0011","11.0901","0.0012","13.689","0.0015","107.747","0.002","106.852","0.001","102.64","0.002","1362.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag N4 Nd O11 -","- C28 H18 Ag N4 Nd O11 -","- C56 H36 Ag2 N8 Nd2 O22 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0359","0.0331","","","0.0829","0.0843","","","","","","1.014","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238303","9.8607","0.001","11.3727","0.0012","13.7453","0.0014","73.704","0.002","70.747","0.001","83.917","0.002","1396.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Ag Dy N4 O12 -","- C28 H20 Ag Dy N4 O12 -","- C56 H40 Ag2 Dy2 N8 O24 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0487","0.045","","","0.1191","0.121","","","","","","1.015","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238304","9.8334","0.0014","11.3098","0.0017","13.721","0.002","73.916","0.003","70.673","0.002","83.962","0.003","1383.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Ag Er N4 O12 -","- C28 H20 Ag Er N4 O12 -","- C56 H40 Ag2 Er2 N8 O24 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0401","0.0359","","","0.0937","0.1002","","","","","","1.063","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238305","4.8532","0.0006","13.938","0.0018","21.639","0.003","90","","90","","90","","1463.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O6 S2 Zn -","- C12 H10 N2 O6 S2 Zn -","- C48 H40 N8 O24 S8 Zn4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0382","0.0299","","","0.0704","0.0737","","","","","","0.884","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238306","11.551","0.014","19.65","0.02","12.34","0.016","90","","102.913","0.018","90","","2730","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N4 O10 S2 Zn -","- C22 H26 N4 O10 S2 Zn -","- C88 H104 N16 O40 S8 Zn4 -","4","0.5","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.2422","0.1145","","","0.255","0.2699","","","","","","1.065","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238307","7.5238","0.0006","21.9578","0.0017","33.012","0.003","90","","95.252","0.001","90","","5430.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 N9 O12 S4 Zn2 -","- C54 H45 N9 O12 S4 Zn2 -","- C216 H180 N36 O48 S16 Zn8 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.1066","0.0519","","","0.1135","0.1258","","","","","","1.022","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238308","9.3823","0.0012","12.2541","0.0016","12.379","0.003","113.038","0.003","92.382","0.003","112.13","0.002","1183","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Cu2 N8 O12 S4 -","- C46 H40 Cu2 N8 O12 S4 -","- C46 H40 Cu2 N8 O12 S4 -","1","0.5","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0457","0.0356","","","0.1022","0.1067","","","","","","1.009","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238309","7.5515","0.0003","11.1038","0.0005","16.2388","0.0007","108.814","0.001","92.037","0.001","97.01","0.001","1275.17","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22.48 Cu N4 O8.24 S2 -","- C22 H20.96 Cu N4 O8.24 S2 -","- C44 H41.92 Cu2 N8 O16.48 S4 -","2","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0448","0.0385","","","0.103","0.1065","","","","","","1.072","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238310","8.522","0.009","10.18","0.011","17.534","0.019","90","","100.627","0.013","90","","1495","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cu N2 O6 S -","- C12 H13 Cu N2 O6 S -","- C48 H52 Cu4 N8 O24 S4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.136","0.0698","","","0.139","0.168","","","","","","1.042","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238311","8.8779","0.0016","11.91","0.002","12.284","0.002","91.799","0.003","93.476","0.003","102.816","0.003","1262.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cd2 N4 O4 S2 -","- C24 H14 Cd2 N4 O4 S2 -","- C48 H28 Cd4 N8 O8 S4 -","2","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0988","0.0571","","","0.1416","0.1597","","","","","","1.078","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238312","16.202","0.007","22.691","0.01","16.772","0.01","90","","114.511","0.008","90","","5610","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20.4 Cd N4 O6.2 S2 -","- C24 H20.4 Cd N4 O6.2 S2 -","- C192 H163.2 Cd8 N32 O49.6 S16 -","8","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.1127","0.0571","","","0.1478","0.1717","","","","","","0.889","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238313","14.222","0.003","28.141","0.006","16.88","0.003","90","","102.59","0.03","90","","6593","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cu F12 N6 P2 -","- C29 H26 Cu F12 N6 P2 -","- C232 H208 Cu8 F96 N48 P16 -","8","2","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0448","0.0414","","","0.1108","0.1134","","","","","","1.099","","","","has coordinates","244115","2020-10-21","18:00:00",""
"7238314","17.011","0.003","10.486","0.002","16.317","0.003","90","","106.79","0.03","90","","2786.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cu F12 N5 P2 -","- C25 H19 Cu F12 N5 P2 -","- C100 H76 Cu4 F48 N20 P8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0412","0.0406","","","0.1119","0.1127","","","","","","1.105","","","","has coordinates","244115","2020-10-21","18:00:00",""
"7238315","16.406","0.003","20.617","0.004","8.9854","0.0018","90","","90","","90","","3039.2","1","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H23 Cu F12 N5 P2 -","- C29 H23 Cu F12 N5 P2 -","- C116 H92 Cu4 F48 N20 P8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0474","0.0466","","","0.1109","0.1115","","","","","","1.214","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238316","8.3566","0.0017","29.699","0.006","14.607","0.003","90","","94.78","0.03","90","","3612.6","1.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Cu2 F24 N12 O5 P4 -","- C64 H52 Cu2 F24 N12 O5 P4 -","- C128 H104 Cu4 F48 N24 O10 P8 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0712","0.0591","","","0.1452","0.1536","","","","","","1.063","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238317","19.703","0.004","11.221","0.002","15.989","0.003","90","","111.56","0.03","90","","3287.6","1.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H100 Cu4 F48 N20 O4 P8 -","- C108 H94 Cu4 F48 N20 O4 P8 -","- C108 H94 Cu4 F48 N20 O4 P8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0642","0.0595","","","0.1657","0.1707","","","","","","1.082","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238318","11.257","0.002","13.441","0.003","24.554","0.005","90","","101.57","0.03","90","","3639.7","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 Cu F12 N5 P2 -","- C37 H27 Cu F12 N5 P2 -","- C148 H108 Cu4 F48 N20 P8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0557","0.0509","","","0.1249","0.1282","","","","","","1.075","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238319","11.866","0.002","14.572","0.003","22.212","0.004","86.03","0.03","76.02","0.03","88.28","0.03","3717.7","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C115 H108.5 Cu4 F48 N21.5 O4 P8 S4 -","- C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 -","- C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0712","0.0655","","","0.1722","0.1779","","","","","","1.078","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238320","5.021","0.0005","13.128","0.0011","13.2385","0.0012","105.164","0.007","98.715","0.008","100.835","0.008","808.48","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","5-fluoro-1-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione","5-fluoro-1-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione","","- C7 H9 F N2 O3 -","- C7 H9 F N2 O3 -","- C28 H36 F4 N8 O12 -","4","2","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Mata, Ignasi; Molins, Elies; Deyà, Pere M.","Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine‒fluorine noncovalent interactions","CrystEngComm","2010","12","11","3758","","10.1039/c0ce00048e","","","0.7107","MoKα","","0.116","0.0637","","","0.1697","0.1846","","","","","","1.135","","","","has coordinates","244116","2020-10-21","18:00:00",""
"7238321","8.44","0.005","5.117","0.002","26.516","0.011","90","","95.37","0.04","90","","1140.1","0.9","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 F N2 O5 -","- C9 H13 F N2 O5 -","- C36 H52 F4 N8 O20 -","4","1","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Mata, Ignasi; Molins, Elies; Deyà, Pere M.","Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine‒fluorine noncovalent interactions","CrystEngComm","2010","12","11","3758","","10.1039/c0ce00048e","","x-ray","0.71073","MoKα","","0.1651","0.0675","","","0.2066","0.2683","","","","","","0.791","","","","has coordinates","244116","2020-10-21","18:00:00",""
"7238322","7.4213","0.0004","7.6629","0.0005","8.9501","0.0005","80.468","0.001","79.331","0.001","63.62","0.001","446.08","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N6 O8 -","- C16 H16 Cd N6 O8 -","- C16 H16 Cd N6 O8 -","1","0.5","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0354","0.0352","","","0.0911","0.0913","","","","","","1.094","","","","has coordinates","244117","2020-10-21","18:00:00",""
"7238323","7.5591","0.0005","11.1614","0.0008","13.0251","0.0009","76.816","0.001","89.292","0.001","79.61","0.001","1051.95","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cd Cl2 N8 O17 -","- C32 H32 Cd Cl2 N8 O17 -","- C32 H32 Cd Cl2 N8 O17 -","1","0.5","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0637","0.0628","","","0.1741","0.1755","","","","","","1.067","","","","has coordinates,has disorder","244117","2020-10-21","18:00:00",""
"7238324","16.6972","0.0008","10.6293","0.0005","10.8051","0.0005","90","","90.456","0.001","90","","1917.62","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cd N4 O8 S -","- C16 H20 Cd N4 O8 S -","- C64 H80 Cd4 N16 O32 S4 -","4","1","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0424","0.0397","","","0.1084","0.1114","","","","","","1.155","","","","has coordinates,has disorder","244117","2020-10-21","18:00:00",""
"7238325","8.1952","0.0009","13.7577","0.0017","13.8979","0.0015","62.529","0.009","79.016","0.009","80.401","0.01","1359.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Ag2 B2 F8 N14 -","- C54 H50 Ag2 B2 F8 N14 -","- C54 H50 Ag2 B2 F8 N14 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0303","0.0295","","","0.078","0.0787","","","","","","1.077","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238326","12.7811","0.0017","13.3183","0.0019","15.009","0.002","88.944","0.011","88.793","0.012","66.108","0.011","2335.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Ag2 B2 F8 N12 -","- C48 H40 Ag2 B2 F8 N12 -","- C96 H80 Ag4 B4 F16 N24 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0382","0.0317","","","0.0707","0.0734","","","","","","1.095","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238327","15.618","0.003","24.416","0.005","15.972","0.003","90","","97.12","0.03","90","","6044","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C222 H217 Ag12 B12 F48 N55 O2 -","- C222 H213 Ag12 B12 F48 N55 O2 -","- C222 H213 Ag12 B12 F48 N55 O2 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.05","0.0466","","","0.0998","0.1015","","","","","","1.198","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238328","13.1675","0.0015","13.4693","0.0016","13.859","0.0017","66.869","0.009","81.171","0.01","89.39","0.01","2230.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H70 Ag4 B4 F16 N24 O3 -","- C88 H64 Ag4 B4 F16 N24 O3 -","- C88 H64 Ag4 B4 F16 N24 O3 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0723","0.0695","","","0.1753","0.1776","","","","","","1.04","","","","has coordinates","244118","2020-10-21","18:00:00",""
"7238329","8.8282","0.0004","9.3941","0.0004","13.1958","0.0006","90.195","0.001","99.321","0.001","104.272","0.001","1045.51","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn2 N2 O10 -","- C19 H18 Mn2 N2 O10 -","- C38 H36 Mn4 N4 O20 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0491","0.0406","","","0.1064","0.1139","","","","","","1.055","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238330","8.8979","0.0003","9.3724","0.0003","13.7369","0.0005","90.739","0.001","103.451","0.001","104.086","0.001","1077.72","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Mn2 N2 O10 -","- C21 H18 Mn2 N2 O10 -","- C42 H36 Mn4 N4 O20 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0358","0.0325","","","0.086","0.0897","","","","","","1.033","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238331","8.9211","0.0005","15.8053","0.0008","21.9313","0.0012","92.764","0.001","91.575","0.001","90.407","0.001","3087.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Mn4 N8 O21 -","- C66 H54 Mn4 N8 O21 -","- C132 H108 Mn8 N16 O42 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.1403","0.0789","","","0.1429","0.1793","","","","","","1.052","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238332","8.1398","0.0005","10.4304","0.0006","15.532","0.001","90","","104.846","0.001","90","","1274.67","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cd2 O11 -","- C9 H12 Cd2 O11 -","- C36 H48 Cd8 O44 -","4","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0366","0.0306","","","0.1123","0.139","","","","","","1.193","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238333","7.4257","0.0015","24.942","0.005","14.488","0.003","90","","103.87","0.03","90","","2605.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cd N6 O9 -","- C23 H26 Cd N6 O9 -","- C92 H104 Cd4 N24 O36 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Sheet, ladder or chain? Small substituents in 4′-phenyl-4,2′:6′,4″-terpyridines control dimensionality in cadmium(ii) coordination polymers","CrystEngComm","2010","12","11","3733","","10.1039/c0ce00175a","","","0.71073","MoKα","","0.046","0.0415","","","0.1017","0.1087","","","","","","1.157","","","","has coordinates,has disorder","244120","2020-10-21","18:00:00",""
"7238334","10.59","0.004","11.46","0.006","17.775","0.009","77.232","0.019","75.175","0.016","63.319","0.015","1849.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cd F6 N6 O11 -","- C34 H35 Cd F6 N6 O11 -","- C68 H70 Cd2 F12 N12 O22 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.0395","0.033","","","0.0944","0.1117","","","","","","1.152","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238335","7.838","0.005","11.043","0.005","16.485","0.005","73.063","0.005","80.033","0.005","85.796","0.005","1344","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cd2 F6 N2 O10.5 -","- C24 H17 Cd2 F6 N2 O10.5 -","- C48 H34 Cd4 F12 N4 O21 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.0713","0.0366","","","0.0618","0.0682","","","","","","0.885","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238336","7.7343","0.0004","10.9887","0.0008","16.5426","0.001","73.026","0.006","80.561","0.005","85.382","0.005","1325.71","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 Mn2 N2 O10.5 -","- C24 H17 F6 Mn2 N2 O10.5 -","- C48 H34 F12 Mn4 N4 O21 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71073","MoKα","","0.0697","0.0479","","","0.116","0.1216","","","","","","0.935","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238337","11.021","0.003","20.571","0.006","18.561","0.006","90","","105.822","0.01","90","","4049","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 F6 N6 O9 Zn2 -","- C36 H33 F6 N6 O9 Zn2 -","- C144 H132 F24 N24 O36 Zn8 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.1152","0.0702","","","0.1912","0.2198","","","","","","1.047","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238338","3.7854","0.0003","46.326","0.005","6.1728","0.0006","90","","104.357","0.006","90","","1048.67","0.18","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0539","0.0465","","","0.1237","0.1298","","","","","","1.057","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238339","17.7099","0.0006","6.3908","0.0002","11.777","0.0005","90","","99.479","0.002","90","","1314.73","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0795","0.0575","","","0.1303","0.1441","","","","","","1.063","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238340","35.5","0.04","6.307","0.008","8.381","0.01","90","","93.849","0.013","90","","1872","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dibenzyl 1,8-naphthyridine-2,7-dicarboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.6939","synchrotron","","0.0718","0.0486","","","0.1208","0.1328","","","","","","1.033","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238341","5.0497","0.0003","28.8108","0.0015","6.3242","0.0004","90","","90","","90","","920.08","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C44 H32 N8 O8 -","2","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.1268","0.0854","","","0.1211","0.1296","","","","","","1.831","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238342","13.4667","0.0006","19.3913","0.001","6.3165","0.0003","90","","90","","90","","1649.47","0.14","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","2,7-dimethyl-1,8-naphthyridine","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0648","0.0574","","","0.114","0.1215","","","","","","1.144","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238343","19.824","0.004","6.8479","0.0014","19.765","0.004","90","","117.16","0.03","90","","2387.3","1.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 Mn3 N2 O21 -","- C16 H22 Mn3 N2 O21 -","- C64 H88 Mn12 N8 O84 -","4","1","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0346","0.027","","","0.0578","0.0685","","","","","","1.11","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238344","15.9192","0.0006","5.9225","0.0003","18.5992","0.0008","90","","90","","90","","1753.56","0.13","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co3 N2 O14 -","- C16 H8 Co3 N2 O14 -","- C64 H32 Co12 N8 O56 -","4","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0396","0.0259","","","0.0573","0.0589","","","","","","0.886","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238345","8.092","0.0016","8.998","0.0018","10.884","0.002","81.53","0.03","71.23","0.03","82.8","0.03","739.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","1","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0507","0.0424","","","0.112","0.1224","","","","","","1.106","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238346","10.078","0.0002","16.9209","0.0003","20.2287","0.0004","90","","90","","90","","3449.58","0.11","200","2","200","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C12 H19 Co3 O11 P3 -","- C12 H15 Co3 O11 P3 -","- C96 H120 Co24 O88 P24 -","8","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0774","0.0486","","","0.1397","0.1739","","","","","","1.185","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238347","8.8381","0.0005","9.0763","0.0005","12.3127","0.0008","95.218","0.002","101.701","0.002","111.775","0.002","883.03","0.09","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H21 Cu2 O11 P3 -","- C12 H17 Cu2 O11 P3 -","- C24 H34 Cu4 O22 P6 -","2","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0426","0.0332","","","0.0794","0.0839","","","","","","1.044","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238348","4.8218","0.0002","19.8911","0.001","18.295","0.0008","90","","95.077","0.002","90","","1747.81","0.14","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18.2 Cu3 O13.6 P3 -","- C9 H15 Cu3 O13.6 P3 -","- C36 H60 Cu12 O54.4 P12 -","4","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0589","0.0395","","","0.0848","0.0956","","","","","","1.024","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238349","10.585","0.011","5.881","0.006","10.311","0.009","90","","107.9","0.02","90","","610.8","1","370","2","370","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","1","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.6889","synchrotron","","0.0594","0.0494","","","0.1475","0.1575","","","","","","1.074","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238350","10.4368","0.0008","5.8004","0.0004","10.1922","0.0007","90","","107.561","0.001","90","","588.26","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","2","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.68933","synchrotron","","0.044","0.0432","","","0.121","0.1218","","","","","","1.072","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238351","16.147","0.003","16.147","0.003","16.624","0.004","90","","90","","120","","3753.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H40 N2 O12 Zn3 -","- C57.9 H39.9 N1.98 O12 Zn3 -","- C173.7 H119.7 N5.94 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1181","0.0448","","","0.0488","0.0551","","","","","","0.8","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238352","16.117","0.003","16.117","0.003","18.073","0.005","90","","90","","120","","4065.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H38 N2 O12 Zn3 -","- C57.9 H37.92 N2 O12 Zn3 -","- C173.7 H113.76 N6 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.0682","0.0407","","","0.0871","0.0946","","","","","","0.873","","","","has coordinates","244126","2020-10-21","18:00:00",""
"7238353","16.1001","0.0006","16.1001","0.0006","40.628","0.003","90","","90","","120","","9120.4","0.8","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H48 N2 O15 Zn3 -","- C59.88 H41.88 N1.99333 O12 Zn3 -","- C359.28 H251.28 N11.96 O72 Zn18 -","6","0.5","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1392","0.0537","","","0.1416","0.1616","","","","","","0.867","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238354","11.476","0.002","26.337","0.005","16.155","0.003","90","","92.18","0.03","90","","4879.2","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H45 Cu F6 O P4 S -","- C55 H45 Cu F6 O P4 S -","- C220 H180 Cu4 F24 O4 P16 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0594","0.0581","","","0.1241","0.1248","","","","","","1.225","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238355","10.45","0.0014","19.688","0.004","13.83","0.002","90","","90.245","0.011","90","","2845.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cu F6 N2 P2 S -","- C29 H25 Cu F6 N2 P2 S -","- C116 H100 Cu4 F24 N8 P8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0365","0.0341","","","0.0826","0.084","","","","","","1.071","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238356","8.9997","0.0016","11.507","0.002","16.728","0.004","78.417","0.016","86.517","0.016","78.32","0.015","1661.6","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C64 H54 Cl4 Cu2 F12 N4 P4 S2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0456","0.0365","","","0.0745","0.0776","","","","","","1.126","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238357","12.137","0.002","13.453","0.002","13.9427","0.0019","97.305","0.012","110.279","0.012","114.695","0.011","1838.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cu F6 P3 S2 -","- C38 H34 Cu F6 P3 S2 -","- C76 H68 Cu2 F12 P6 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0293","0.0284","","","0.0741","0.0746","","","","","","1.069","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238358","10.5396","0.001","12.2287","0.001","13.3195","0.0011","104.793","0.007","102.457","0.007","105.796","0.007","1520.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cu F6 N4 P -","- C34 H28 Cu F6 N4 P -","- C68 H56 Cu2 F12 N8 P2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0408","0.0362","","","0.0841","0.0863","","","","","","1.115","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238359","11.611","0.002","13.045","0.003","14.699","0.003","115.99","0.03","97.55","0.03","90.93","0.03","1977.1","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0454","0.043","","","0.1161","0.1179","","","","","","1.072","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238360","11.5635","0.0017","13.0399","0.0017","15.119","0.002","112.413","0.01","98.097","0.011","91.294","0.011","2079.3","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0615","0.0515","","","0.126","0.1316","","","","","","1.138","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238361","16.763","0.003","5.942","0.0012","30.238","0.006","90","","93.51","0.03","90","","3006.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 O2 P2 S2 -","- C36 H28 O2 P2 S2 -","- C144 H112 O8 P8 S8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0367","0.0328","","","0.0829","0.0854","","","","","","1.096","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238362","9.1889","0.0014","9.3069","0.0014","9.5114","0.0014","71.087","0.002","78.189","0.002","79.218","0.002","746.78","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 N O14 S3 Tb -","- C2 H14 N O14 S3 Tb -","- C4 H28 N2 O28 S6 Tb2 -","2","1","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0287","0.0259","","","0.0796","0.0803","","","","","","1.474","","","","has coordinates","244128","2020-10-21","18:00:00",""
"7238363","20.6927","0.0015","36.783","0.003","10.1514","0.0008","90","","114.418","0.001","90","","7035.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 N9 O50 S12 Tb5 -","- C18 H64 N9 O50 S12 Tb5 -","- C72 H256 N36 O200 S48 Tb20 -","4","0.5","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0513","0.0456","","","0.1545","0.1599","","","","","","1.213","","","","has coordinates,has disorder","244128","2020-10-21","18:00:00",""
"7238364","9.657","0.006","12.577","0.008","13.693","0.009","70.382","0.007","85.214","0.007","73.171","0.007","1499.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N6 O7 Zn -","- C30 H27 N6 O7 Zn -","- C60 H54 N12 O14 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0388","0.0354","","","0.1152","0.1185","","","","","","1.039","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238365","7.785","0.002","9.037","0.002","17.055","0.004","102.021","0.003","96.298","0.003","100.567","0.003","1139.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O6 Zn -","- C24 H20 N4 O6 Zn -","- C48 H40 N8 O12 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0575","0.042","","","0.1058","0.1273","","","","","","1.057","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238366","20.92","0.003","9.4373","0.0013","22.981","0.003","90","","108.736","0.002","90","","4296.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 N8 O35 Zn6 -","- C76 H66 N8 O35 Zn6 -","- C152 H132 N16 O70 Zn12 -","2","0.25","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.1183","0.0768","","","0.2389","0.2692","","","","","","1.069","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238367","10.5883","0.001","20.2922","0.0019","24.9206","0.0019","90","","111.197","0.003","90","","4992.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H102 N24 O27 Zn6 -","- C96 H102 N24 O27 Zn6 -","- C192 H204 N48 O54 Zn12 -","2","0.5","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0863","0.0463","","","0.0878","0.1049","","","","","","1.018","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238368","10.0224","0.0008","19.0867","0.0015","17.2808","0.0011","90","","120.691","0.003","90","","2842.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C112 H120 N24 O24 Zn4 -","4","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0452","0.0357","","","0.0957","0.1027","","","","","","1.049","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238369","9.352","0.003","10.119","0.003","13.485","0.004","83.211","0.003","72.583","0.003","75.07","0.003","1175.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N4 O8 Zn2 -","- C23 H20 N4 O8 Zn2 -","- C46 H40 N8 O16 Zn4 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0647","0.0407","","","0.1112","0.135","","","","","","1.06","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238370","23.033","0.01","23.033","0.01","15.607","0.003","90","","90","","90","","8280","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H61 Mn Mo8 N16 O44 P V6 -","- C56 H56 Mn Mo8 N16 O44 P V6 -","- C224 H224 Mn4 Mo32 N64 O176 P4 V24 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0855","0.0609","","","0.1631","0.178","","","","","","1.07","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238371","22.921","0.003","22.921","0.003","15.642","0.003","90","","90","","90","","8218","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H60 Mo9 N16 O44 P V5 Zn -","- C56 H56 Mo9 N16 O44 P V5 Zn -","- C224 H224 Mo36 N64 O176 P4 V20 Zn4 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0392","0.0332","","","0.0839","0.0861","","","","","","1.05","","","","has coordinates,has disorder","244130","2020-10-21","18:00:00",""
"7238372","22.878","0.009","22.878","0.009","15.853","0.003","90","","90","","90","","8298","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H64 Cu Mo9 N16 O46 P V5 -","- C56 H56 Cu Mo9 N16 O46 P V5 -","- C224 H224 Cu4 Mo36 N64 O184 P4 V20 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0818","0.0534","","","0.1234","0.1369","","","","","","1.046","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238373","13.28","0.003","13.476","0.003","14.623","0.003","109.29","0.03","116.85","0.03","97.96","0.03","2071.2","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H64 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","1","0.5","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0717","0.0657","","","0.1639","0.1665","","","","","","1.074","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238375","7.7752","0.0003","9.6284","0.0004","10.4511","0.0003","106.39","0.003","107.73","0.003","101.093","0.003","680.98","0.05","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H12 Cl2 N6 O -","- C11 H12 Cl2 N6 O -","- C22 H24 Cl4 N12 O2 -","2","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0587","0.0546","","","0.159","0.1628","","","","","","0.894","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238376","15.5808","0.001","9.689","0.0006","11.1057","0.0007","90","","91.312","0.003","90","","1676.1","0.18","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N5 O3 -","- C16 H13 Cl2 N5 O3 -","- C64 H52 Cl8 N20 O12 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0494","0.0371","","","0.0872","0.0913","","","","","","1.041","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238377","7.0795","0.0003","17.7124","0.0007","15.9227","0.0007","90","","94.618","0.002","90","","1990.14","0.14","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N5 O6 -","- C15 H19 Cl2 N5 O6 -","- C60 H76 Cl8 N20 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0388","0.0301","","","0.0747","0.0775","","","","","","1.067","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238484","8.4026","0.0012","8.5005","0.0011","11.1893","0.0016","94.214","0.011","93.028","0.011","106.597","0.018","761.6","0.2","153","2","153","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H12 Co N2 O6 V2 -","- C12 H12 Co N2 O6 V2 -","- C24 H24 Co2 N4 O12 V4 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0583","0.0293","","","0.0545","0.0603","","","","","","0.851","","","","has coordinates","244190","2020-10-21","18:00:00",""
"7238485","28.258","0.005","9.612","0.005","14.579","0.005","90","0.005","110.191","0.005","90","0.005","3717","2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O9 V2 -","- C12 H14 N2 Ni O9 V2 -","- C96 H112 N16 Ni8 O72 V16 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0824","0.0389","","","0.0678","0.0768","","","","","","0.709","","","","has coordinates,has disorder","244190","2020-10-21","18:00:00",""
"7238486","23.9581","0.0009","23.9581","0.0009","29.2285","0.0014","90","","90","","120","","14529.2","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C83 H123 N13 O20 Zn -","- C45 O8 Zn -","- C270 O48 Zn6 -","6","0.5","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.1937","0.0752","","","0.1767","0.1836","","","","","","1.017","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238487","23.965","0.003","23.965","0.003","26.192","0.006","90","","90","","120","","13027","4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C85 H110 N12 O20 Zn2 -","- C53 N O10 Zn2 -","- C318 N6 O60 Zn12 -","6","1","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.0832","0.0739","","","0.1947","0.2012","","","","","","1.064","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238488","7.5043","0.0018","20.894","0.005","7.5043","0.0018","90","","90.58","","90","","1176.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0486","0.0442","","","0.1182","0.1228","","","","","","1.05","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238489","6.5078","0.0011","19.897","0.002","10.9177","0.0018","90","","90","","90","","1413.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.043","0.0368","","","0.0844","0.0887","","","","","","1.044","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238490","10.3173","0.0014","7.4516","0.0012","26.221","0.004","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0712","0.053","","","0.1177","0.127","","","","","","1.046","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238491","8.4396","0.0014","8.5941","0.0015","8.9356","0.0015","88.535","0.004","84.804","0.004","66.083","0.004","589.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C22 H30 N2 O12 -","2","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0552","0.0487","","","0.1279","0.1344","","","","","","1.054","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238492","12.0146","0.0009","9.6205","0.0007","11.997","0.0009","90","","114.803","0.001","90","","1258.78","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0833","0.0782","","","0.2502","0.2579","","","","","","1.057","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238493","12.941","0.003","11.979","0.002","7.0729","0.0012","90","","102.278","0.004","90","","1071.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C44 H52 N4 O16 -","2","0.5","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0796","0.0541","","","0.1478","0.1678","","","","","","1.033","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238494","14.95","0.002","7.5242","0.0015","16.563","0.003","90","","92.834","0.002","90","","1860.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C76 H92 N4 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.082","0.0622","","","0.1836","0.2038","","","","","","1.038","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238495","10.875","0.004","13.254","0.003","14.054","0.003","90","","109.04","0.04","90","","1914.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O3 -","- C10 H10 N O3 -","- C80 H80 N8 O24 -","8","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1779","0.077","","","0.1543","0.2005","","","","","","1.002","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238496","7.2391","0.0014","8.013","0.0016","13.094","0.003","106.01","0.03","102.96","0.03","94.23","0.03","704","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1462","0.0881","","","0.2044","0.2523","","","","","","1.019","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238497","13.15","0.003","13.022","0.003","7.241","0.0014","90","","90","","90","","1239.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1216","0.0607","","","0.1158","0.1395","","","","","","1.02","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238498","10.446","0.002","7.5939","0.0015","30.513","0.006","90","","99","0.03","90","","2390.7","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Sm2 -","- C40 H32 Co3 N8 O32 Sm2 -","- C80 H64 Co6 N16 O64 Sm4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0679","0.0554","","","0.1365","0.1436","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238499","10.477","0.002","7.6575","0.0015","30.456","0.006","90","","99.06","0.03","90","","2412.9","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Pr2 -","- C40 H32 Co3 N8 O32 Pr2 -","- C80 H64 Co6 N16 O64 Pr4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0346","0.0312","","","0.0738","0.0758","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238500","10.467","0.002","7.6374","0.0015","30.492","0.006","90","","99.05","0.03","90","","2407.2","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 Nd2 O32 -","- C40 H32 Co3 N8 Nd2 O32 -","- C80 H64 Co6 N16 Nd4 O64 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0319","0.0285","","","0.0688","0.0707","","","","","","1.027","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238501","9.66","0.009","9.651","0.009","13.59","0.012","90","","128.17","0.05","90","","996.1","1.7","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Cl Fe N4 O4 -","- C20 H24 Cl Fe N4 O4 -","- C40 H48 Cl2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.057","0.0306","","","0.0604","0.0657","","","","","","0.98","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238502","9.9131","0.0004","9.6378","0.0004","13.735","0.0007","90","","129.198","0.003","90","","1016.95","0.09","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Br Fe N4 O4 -","- C20 H24 Br Fe N4 O4 -","- C40 H48 Br2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.0416","0.0297","","","0.0774","0.08","","","","","","1.036","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238503","10.168","0.003","9.68","0.003","13.871","0.004","90","","130.17","0.02","90","","1043.2","0.6","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) iodide","","- C20 H24 Fe I N4 O4 -","- C20 H24 Fe I N4 O4 -","- C40 H48 Fe2 I2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.083","0.062","","","0.154","0.1624","","","","","","1.107","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238504","36.256","0.004","54.989","0.005","16.0501","0.0014","90","","90","","90","","31999","5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 La N21 O34.5 -","- C50 H60 Cl2 La N20 O13 -","- C800 H960 Cl32 La16 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0759","0.0744","","","0.1931","0.1945","","","","","","1.012","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238505","14.7746","0.0011","20.9988","0.0014","26.1823","0.0018","100.806","0.003","98.196","0.003","94.875","0.003","7845.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H117 Cl2 Dy4 N40 O36 -","- C100 H117 Cl2 Dy4 N40 O36 -","- C200 H234 Cl4 Dy8 N80 O72 -","2","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.067","0.044","","","0.0855","0.0904","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238506","26.288","0.011","28.856","0.012","20.917","0.009","90","","100.996","0.005","90","","15576","11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Er2 N20 O30 -","- C50 H60 Cl2 Er2 N20 O17 -","- C400 H480 Cl16 Er16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.122","0.0679","","","0.1533","0.1688","","","","","","1.025","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238507","26.324","0.007","28.868","0.007","20.957","0.005","90","","100.9","0.003","90","","15638","7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Ho2 N20 O30 -","- C50 H60 Cl2 Ho2 N20 O17 -","- C400 H480 Cl16 Ho16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.1415","0.0862","","","0.165","0.1857","","","","","","1.003","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238508","26.971","0.004","18.358","0.003","30.331","0.007","90","","114.565","0.002","90","","13659","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 Nd O29 -","- C50 H60 Cl2 N20 Nd O12 -","- C400 H480 Cl16 N160 Nd8 O96 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0931","0.0762","","","0.2158","0.2296","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238509","35.89","0.008","55.191","0.012","16.106","0.004","90","","90","","90","","31903","13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 N21 O34.5 Pr -","- C50 H60 Cl2 N20 O13 Pr -","- C800 H960 Cl32 N320 O208 Pr16 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0647","0.0593","","","0.1528","0.157","","","","","","1.01","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238510","27.1046","0.0013","18.3417","0.0009","30.4416","0.0015","90","","114.564","0.002","90","","13764.2","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 O29 Sm -","- C50 H60 Cl2 N20 O12 Sm -","- C400 H480 Cl16 N160 O96 Sm8 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0704","0.0533","","","0.1452","0.1538","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238511","35.869","0.015","55.15","0.02","16.021","0.006","90","","90","","90","","31692","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Ce Cl2 N21 O34.5 -","- C50 H57 Ce Cl2 N20 O13 -","- C800 H912 Ce16 Cl32 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.109","0.0793","","","0.1874","0.2014","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238512","11.06","0.03","16.45","0.04","10.99","0.04","90","","111.4","0.2","90","","1862","10","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EDO-TTF-U","","","- C16 H16 N2 O4 S4 -","- C16 H16 N2 O4 S4 -","- C64 H64 N8 O16 S16 -","4","1","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.71075","MoKα","","0.181","0.0994","","","0.2333","0.341","","","","","","0.928","","","","has coordinates","244198","2020-10-21","18:00:00",""
"7238513","7.2485","0.0013","10.373","0.002","16.028","0.003","89.459","0.009","77.009","0.007","79.014","0.008","1152.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","(EDO-TTF-U)2(TCNQ)","","","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","1","0.5","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.7107","MoKα","","0.0765","0.0447","","","0.1074","0.177","","","","","","0.984","","","","has coordinates","244198","2020-10-21","18:00:00",""
"7238514","12.3811","0.0005","12.3811","0.0005","41.398","0.003","90","","90","","120","","5495.8","0.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","(Co(N4C6H18)(H2O))3V15Sb6O42(H2O)H2O","","","- C18 H58 Co3 N12 O47 Sb6 V15 -","- C18 H54 Co3 N12 O47.6 Sb6 V15 -","- C54 H162 Co9 N36 O142.8 Sb18 V45 -","3","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0355","0.0301","","","0.0703","0.0724","","","","","","0.996","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238515","27.8795","0.0011","22.9567","0.0009","32.2932","0.0013","90","","113.717","0.004","90","","18922.8","1.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H214 Co6 N42 O97 Sb12 V30 -","- C62 H188 Co6 N42 O97 Sb12 V30 -","- C248 H752 Co24 N168 O388 Sb48 V120 -","4","1","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.073","0.047","","","0.1198","0.1315","","","","","","0.966","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238516","30.601","0.006","13.901","0.003","23.093","0.005","90","","128.1","0.03","90","","7730","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H90 Co2 N16 O49 Sb4 V16 -","- C24 H76 Co2 N16 O49 Sb4 V16 -","- C96 H304 Co8 N64 O196 Sb16 V64 -","4","0.5","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0414","0.0314","","","0.0608","0.0634","","","","","","1.1","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238517","8.9771","0.0006","11.0283","0.0007","12.0901","0.0006","74.718","0.005","85","0.005","81.608","0.006","1140.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0563","0.0418","","","0.0838","0.0925","","","","","","1.057","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238518","22.1231","0.001","12.5698","0.0004","18.1222","0.0007","90","","109.511","0.005","90","","4750.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C184 H128 N64 O32 Zn8 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0559","0.036","","","0.0745","0.0816","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238519","10.817","0.0005","11.0298","0.0007","11.3773","0.0006","114.656","0.006","104.715","0.004","95.911","0.005","1159","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0627","0.0469","","","0.1096","0.1192","","","","","","1.036","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238520","25.9785","0.0007","10.1939","0.0002","19.4052","0.0005","90","","101.07","0.003","90","","5043.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N8 O7.5 Zn2 -","- C24 H16 N8 O7.5 Zn2 -","- C192 H128 N64 O60 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0555","0.0432","","","0.1039","0.1114","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238521","11.8534","0.0005","15.0975","0.0005","12.565","0.0005","90","","111.268","0.005","90","","2095.45","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N8 O6 Zn -","- C20 H17 N8 O6 Zn -","- C80 H68 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0556","0.0414","","","0.1053","0.1157","","","","","","1.041","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238522","9.7186","0.0005","11.4928","0.0006","11.6881","0.0006","63.618","0.005","80.197","0.005","81.893","0.004","1149.28","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0881","0.0565","","","0.1093","0.1252","","","","","","1.016","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238523","9.8552","0.0003","23.1468","0.0008","10.2245","0.0004","90","","98.033","0.003","90","","2309.49","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N8 O6 Zn -","- C23 H20 N8 O6 Zn -","- C92 H80 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0767","0.0474","","","0.0804","0.0897","","","","","","1.015","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238524","25.5723","0.0013","10.2646","0.0003","20.2916","0.0009","90","","112.618","0.006","90","","4916.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N8 O8 Zn2 -","- C24 H18 N8 O8 Zn2 -","- C192 H144 N64 O64 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0737","0.0443","","","0.0777","0.0868","","","","","","1.01","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238525","11.9521","0.001","12.4769","0.0012","12.7864","0.001","117.498","0.005","99.008","0.006","103.867","0.006","1561","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O -","- C10 H20 O -","- C60 H120 O6 -","6","3","","Corvis, Yohann; Négrier, Philippe; Massip, Stéphane; Leger, Jean-Michel; Espeau, Philippe","Insights into the crystal structure, polymorphism and thermal behavior of menthol optical isomers and racemates","CrystEngComm","2012","14","20","7055","","10.1039/c2ce26025e","","","1.5418","CuKα","","0.0817","0.064","","","0.1528","0.1683","","","","","","1.02","","","","has coordinates,has disorder","244201","2020-10-21","18:00:00",""
"7238526","10.1137","0.0008","8.512","0.0007","13.9992","0.0012","90","","110.61","0.001","90","","1128.03","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium-2,5-dihydroxybenzoate","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0374","0.0347","","","0.0906","0.0926","","","","","","1.087","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238527","5.0257","0.0003","24.5327","0.0015","13.1664","0.0008","90","","90.462","0.001","90","","1623.29","0.17","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cytosinium-3,5-dinitrobenzoate trihydrate","","","- C11 H15 N5 O10 -","- C11 H15 N5 O10 -","- C44 H60 N20 O40 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0702","0.0647","","","0.1312","0.1338","","","","","","1.248","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238528","14.9164","0.001","12.3456","0.0008","19.9754","0.0013","90","","90","","90","","3678.5","0.4","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cytosinium 4-hydroxyphenylacetate cytosine monohydrate","","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C128 H160 N48 O48 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0395","0.0356","","","0.0934","0.0965","","","","","","1.041","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238529","7.3666","0.0003","6.4615","0.0003","36.9629","0.0016","90","","94.462","0.001","90","","1754.08","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium para amino benzoate cytosine monohydrate","","","- C15 H19 N7 O5 -","- C15 H19 N7 O5 -","- C60 H76 N28 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0548","0.0514","","","0.1415","0.145","","","","","","1.117","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238530","6.6211","0.0004","12.0765","0.0008","17.3375","0.0011","105.37","0.006","90.852","0.005","91.274","0.005","1336.08","0.15","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C39 H27 -","- C39 H27 -","- C78 H54 -","2","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1193","0.0661","","","0.1291","0.1495","","","","","","1.051","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238531","5.5771","0.0003","12.0652","0.0006","25.9356","0.0012","90","","90","","90","","1745.18","0.15","293","2","293.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.087","0.0474","","","0.0858","0.0995","","","","","","0.98","","","","has coordinates","244203","2020-10-21","18:00:00",""
"7238532","12.5169","0.0017","6.1861","0.0007","12.2167","0.0018","90","","110.239","0.015","90","","887.5","0.2","293","2","293.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 -","- C13 H9 -","- C52 H36 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1165","0.0617","","","0.142","0.1743","","","","","","1.037","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238825","10.6408","0.0009","16.2706","0.001","7.5669","0.0007","90","","110.783","0.008","90","","1224.83","0.18","290","","290","","","","","","","","","5","A 1 2 1","A 2y","5","4-bromo-4'nitrobenzylidene aniline","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.7","synchrotron","","0.0488","0.0296","","","0.0302","0.0312","","","","1.66","1.66","1.31","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238826","10.5217","0.001","16.2535","0.0016","7.4403","0.0007","90","","110.709","0.007","90","","1190.2","0.2","","","173","","","","","","","","","5","A 1 2 1","A 2y","5","BNBA","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C6.5 H4.5 Br0.5 N O -","- C26 H18 Br2 N4 O4 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.71073","MoKα","","0.0718","0.0473","","","0.0448","0.0471","","","","2.01","2.01","1.76","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238827","24.1322","0.0007","8.2047","0.0003","15.471","0.0005","90","","90","","90","","3063.22","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C61 H63 F6 N12 Ni2 O12.5 -","- C61 H63 F6 N12 Ni2 O12.5 -","- C122 H126 F12 N24 Ni4 O25 -","2","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.122","0.0613","","","0.123","0.1637","","","","","","1.018","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238828","13.0719","0.0006","15.3456","0.0006","21.2185","0.0009","94.012","0.002","106.478","0.002","106.321","0.002","3864.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H80 N12 Ni3 O27 -","- C74 H80 N12 Ni3 O27 -","- C148 H160 N24 Ni6 O54 -","2","1","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1691","0.0976","","","0.2334","0.2976","","","","","","0.985","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238829","18.927","0.0008","15.5587","0.0007","15.9579","0.0006","90","","113.848","0.001","90","","4298.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N8 Ni2 O11 -","- C44 H42 N8 Ni2 O11 -","- C176 H168 N32 Ni8 O44 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.0997","0.0731","","","0.2187","0.2468","","","","","","1.07","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238830","13.5733","0.0005","15.9205","0.0007","20.8014","0.0009","90","","90","","90","","4495.1","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cd2 N8 O12 -","- C45 H44 Cd2 N8 O12 -","- C180 H176 Cd8 N32 O48 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1024","0.0814","","","0.169","0.1761","","","","","","1.401","","","","has coordinates","244397","2020-10-21","18:00:00",""
"7238831","9.7539","0.0015","19.227","0.003","24.684","0.004","90","","90","","90","","4629.2","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N12 Na2 O34 Zn5 -","- C30 H24 N12 Na2 O34 Zn5 -","- C120 H96 N48 Na8 O136 Zn20 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0504","0.0448","","","0.1266","0.1303","","","","","","1.043","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238832","10.559","0.003","10.857","0.003","11.426","0.003","108.323","0.004","108.209","0.004","93.566","0.004","1162.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl N6 Na4 O14 -","- C15 H13 Cl N6 Na4 O14 -","- C30 H26 Cl2 N12 Na8 O28 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1","0.093","","","0.2139","0.2179","","","","","","1.215","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238833","5.3371","0.0016","10.693","0.003","18.67","0.006","80.696","0.005","84.7","0.005","86.105","0.006","1045.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Mg2 N6 O13 -","- C15 H14 Mg2 N6 O13 -","- C30 H28 Mg4 N12 O26 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0873","0.0759","","","0.1642","0.1703","","","","","","1.211","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238834","22.799","0.004","10.812","0.002","10.723","0.002","90","","109.793","0.003","90","","2487.1","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu2 N6 O18 -","- C15 H14 Cu2 N6 O18 -","- C60 H56 Cu8 N24 O72 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0554","0.0469","","","0.1191","0.1233","","","","","","1.135","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238835","20.045","0.004","12.656","0.003","21.157","0.004","90","","90.688","0.004","90","","5366.9","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Cu2 N6 O20 -","- C15 H13 Cu2 N6 O20 -","- C120 H104 Cu16 N48 O160 -","8","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1161","0.1139","","","0.2269","0.2279","","","","","","1.192","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238836","14.005","0.006","10.324","0.004","19.368","0.008","90","","102.13","0.007","90","","2737.9","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N6 O21 Zn2 -","- C15 H14 N6 O21 Zn2 -","- C60 H56 N24 O84 Zn8 -","4","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0579","0.049","","","0.1258","0.1313","","","","","","1.121","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238837","10.31","","13.738","","15.829","","67.25","","81.91","","89.77","","2043.88","","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Ag B F4 N3 O10 S3 -","- C30 H27 Ag B F4 N3 O10 S3 -","- C60 H54 Ag2 B2 F8 N6 O20 S6 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0961","0.0756","","","0.1995","0.2115","","","","","","1.013","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238838","11.2552","0.0011","13.6464","0.0014","16.3098","0.0016","110.448","0.002","100.874","0.002","95.504","0.002","2269.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H38.5 Ag F6 N3 O11.75 S3 Sb -","- C30 H33 Ag F6 N3 O11.75 S3 Sb -","- C60 H66 Ag2 F12 N6 O23.5 S6 Sb2 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1489","0.1674","","","","","","1.053","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238839","10.6004","0.0012","11.6175","0.0014","12.1474","0.0014","83.729","0.002","83.464","0.002","74.505","0.002","1427.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Ag F3 N3 O10 -","- C28 H15 Ag F3 N3 O10 -","- C56 H30 Ag2 F6 N6 O20 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0542","0.0448","","","0.1293","0.1394","","","","","","1.014","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238840","10.8496","0.0015","12.2389","0.0017","13.0651","0.0018","92.079","0.002","93.681","0.002","92.701","0.002","1728","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Ag Cl3 F3 N3 O10 S2 -","- C28 H21.759 Ag Cl3 F3 N3 O10 S2 -","- C56 H43.518 Ag2 Cl6 F6 N6 O20 S4 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0983","0.0665","","","0.1762","0.2107","","","","","","0.846","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238841","10.099","0.002","16.811","0.003","15.251","0.003","90","","96.81","0.03","90","","2571","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cd N2 O10 -","- C22 H23 Cd N2 O10 -","- C88 H92 Cd4 N8 O40 -","4","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71073","MoKα","","0.0822","0.0733","","","0.1709","0.1761","","","","","","1.053","","","","has coordinates","244400","2020-10-21","18:00:00",""
"7238842","10.5925","0.001","19.4409","0.0018","23.682","0.002","73.744","0.001","83.661","0.002","89.712","0.002","4651.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H53 Cd6 N9 O29.5 -","- C83 H53 Cd6 N9 O29.25 -","- C166 H106 Cd12 N18 O58.5 -","2","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71075","MoKα","","0.0916","0.0693","","","0.1858","0.1997","","","","","","1.094","","","","has coordinates,has disorder","244400","2020-10-21","18:00:00",""
"7238843","10.8861","0.0008","10.2944","0.0008","14.3534","0.0008","90","","120.868","0.004","90","","1380.68","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0366","0.0349","","","0.0921","0.0936","","","","","","1.072","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238844","15.1219","0.0008","9.4338","0.0005","9.0516","0.0005","90","","113.688","0.001","90","","1182.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0185","0.018","","","0.0435","0.0439","","","","","","1.094","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238845","13.9287","0.0015","12.7175","0.0014","6.9109","0.0008","90","","95.088","0.002","90","","1219.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl F N2 O3 -","- C9 H10 Cd Cl F N2 O3 -","- C36 H40 Cd4 Cl4 F4 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.021","0.0178","","","0.0405","0.0418","","","","","","1.027","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238846","11.1319","0.0006","9.9512","0.0005","14.2568","0.0006","90","","120.015","0.003","90","","1367.51","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd Cl2 N2 O4 -","- C12 H6 Cd Cl2 N2 O4 -","- C48 H24 Cd4 Cl8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0233","0.0191","","","0.043","0.0445","","","","","","1.037","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238847","5.6741","0.0014","9.26","0.002","15.044","0.004","90","","104.33","0.008","90","","765.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C24 H20 Cd2 Cl4 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.018","0.0161","","","0.0426","0.0439","","","","","","1.085","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238848","14.1516","0.0006","12.6704","0.0006","7.0376","0.0003","90","","93.615","0.001","90","","1259.38","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl2 N2 O3 -","- C9 H10 Cd Cl2 N2 O3 -","- C36 H40 Cd4 Cl8 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0223","0.0194","","","0.0434","0.0446","","","","","","1.057","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238849","15.2423","0.0008","17.1026","0.0008","15.0777","0.0007","90","","120.312","0.001","90","","3393.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 Cd Cl2 N2 O5.5 -","- C13.5 H7 Cd Cl2 N2 O5.5 -","- C108 H56 Cd8 Cl16 N16 O44 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0408","0.0312","","","0.0786","0.0835","","","","","","1.069","","","","has coordinates,has disorder","244401","2020-10-21","18:00:00",""
"7238850","16.6263","0.0003","12.7971","0.0003","14.4678","0.0003","90","","90","","90","","3078.29","0.11","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H28 B2 Cu2 F8 N4 O12 -","- C17 H24 B2 Cu2 F7.992 N4 O12 -","- C68 H96 B8 Cu8 F31.968 N16 O48 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0639","0.0578","","","0.1562","0.1597","","","","","","1.163","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238851","15.6203","0.0016","11.564","0.002","14.8705","0.0014","90","","90","","90","","2686.1","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H14 B2 Cu2 F8 N4 O8 -","- C14 H14 B2 Cu2 F8 N4 O8 -","- C56 H56 B8 Cu8 F32 N16 O32 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.1507","0.0784","","","0.2015","0.2428","","","","","","0.97","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238852","12.4176","0.0002","22.5346","0.0003","10.1644","0.0002","90","","107.054","0.002","90","","2719.19","0.08","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H28 Cu3 F6 N4 O14 Si -","- C16 H28 Cu3 F6 N4 O14 Si -","- C64 H112 Cu12 F24 N16 O56 Si4 -","4","1","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0282","0.0266","","","0.0687","0.0699","","","","","","1.056","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238853","7.1674","0.0006","7.5711","0.0008","8.4825","0.0011","109.937","0.011","94.919","0.008","116.156","0.009","372.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","1","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0836","0.0818","","","0.3175","0.3181","","","","","","1.331","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238854","12.3883","0.0003","12.3883","0.0003","14.5923","0.0004","90","","90","","90","","2239.48","0.1","130","2","130","2","","","","","","","","8","P -4 2 c","P -4 2c","112","","","","- C28 H42 B Cu2 F4 N8 Na O23 -","- C28 H28 B Cu2 F4 N8 Na O23 -","- C56 H56 B2 Cu4 F8 N16 Na2 O46 -","2","0.25","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0624","0.0569","","","0.1636","0.1715","","","","","","1.073","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238855","20.109","0.0007","20.109","0.0007","20.109","0.0007","90","","90","","90","","8131.5","0.5","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-1","","","- C18 H18 Co4 N6 O7 -","- C18 H18 Co4 N6 O5.5 -","- C144 H144 Co32 N48 O44 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0814","0.0723","","","0.2078","0.2203","","","","","","1.157","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238856","20.071","0.003","20.071","0.003","20.071","0.003","90","","90","","90","","8086","2","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-2","","","- C18 H18 N6 O7 Zn4 -","- C18 H18 N6 O7 Zn4 -","- C144 H144 N48 O56 Zn32 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0491","0.0376","","","0.0937","0.0998","","","","","","1.001","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238857","14.242","0.003","14.278","0.003","14.332","0.004","90","","90","","90","","2914.4","1.2","95","2","95","2","","","","","","","","5","P 2 2 2","P 2 2","16","HHU-3","","","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","1","0.25","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.54178","CuKα","","0.112","0.0691","","","0.1453","0.1574","","","","","","0.923","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238858","19.063","0.002","19.875","0.002","19.898","0.002","92.131","0.002","112.476","0.002","112.5","0.002","6285.6","1.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","3H2","","","- C40 H34 O7 -","- C40 H34 O7 -","- C320 H272 O56 -","8","4","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1117","0.0733","","","0.1964","0.2376","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238859","20.9859","0.001","16.4295","0.0008","9.2328","0.0004","90","","114.34","0.001","90","","2900.4","0.2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3Me2","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.0481","0.038","","","0.0975","0.1055","","","","","","1.013","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238860","11.335","0.005","14.854","0.005","15.823","0.005","90","","106.14","0.005","90","","2559.1","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5H2","","","- C64 H64 O8 -","- C64 H64 O8 -","- C128 H128 O16 -","2","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71069","MoKα","","0.1442","0.0879","","","0.2333","0.2769","","","","","","1.037","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238861","18.978","0.005","23.17","0.005","23.477","0.005","87.73","0.005","68.378","0.005","68.299","0.005","8861","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","PMOF-1","","","- C348 H314 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1332","0.0958","","","0.2697","0.2908","","","","","","1.081","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238862","8.5277","0.0006","16.9942","0.0012","17.4044","0.0012","113.501","0.004","101.299","0.004","95.99","0.004","2221","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","TMOF-3","","","- C47 H52 N4 O9 Zn -","- C47 H51 N4 O9 Zn -","- C94 H102 N8 O18 Zn2 -","2","1","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1064","0.0767","","","0.2123","0.2357","","","","","","1.036","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238863","11.3952","0.0007","16.0546","0.0009","25.1653","0.0016","84.376","0.004","82.666","0.004","78.759","0.004","4465.9","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","TMOF-3-bipy","","","- C223 H174 Cl5 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.0872","0.0798","","","0.22","0.2343","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238864","33.48","0.02","33.48","0.02","105.59","0.07","90","","90","","120","","102500","11","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TMOF-4","","","- C216 H148 O39 Zn7 -","- C216 H144 O39 Zn7 -","- C2592 H1728 O468 Zn84 -","12","0.333333","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.1737","0.1166","","","0.3416","0.3755","","","","","","1.266","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238865","14.7153","0.0013","9.0139","0.0008","16.3787","0.0014","90","","107.313","0.003","90","","2074.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Cd N5 -","- C21 H17 Br2 Cd N5 -","- C84 H68 Br8 Cd4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0694","0.0388","","","0.1037","0.1258","","","","","","0.815","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238866","14.578","0.003","8.8123","0.0016","16.385","0.003","90","","108.323","0.006","90","","1998.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 Hg N5 -","- C21 H17 Cl2 Hg N5 -","- C84 H68 Cl8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0802","0.043","","","0.1108","0.1294","","","","","","0.817","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238867","14.706","0.002","9.0229","0.0014","16.359","0.003","90","","107.064","0.004","90","","2075.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Hg N5 -","- C21 H17 Br2 Hg N5 -","- C84 H68 Br8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0284","0.0218","","","0.0809","0.0868","","","","","","0.732","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238868","14.586","0.005","9.65","0.003","16.442","0.006","90","","105.081","0.011","90","","2234.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Hg I2 N5 -","- C21 H17 Hg I2 N5 -","- C84 H68 Hg4 I8 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0925","0.0403","","","0.1046","0.1303","","","","","","0.792","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238869","10.338","0.014","10.672","0.014","11.641","0.016","69.36","0.04","86.54","0.04","78.69","0.04","1178","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd I2 N5 O2 -","- C21 H17 Cd I2 N5 O2 -","- C42 H34 Cd2 I4 N10 O4 -","2","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.3896","0.1411","","","0.2649","0.3272","","","","","","0.777","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238870","14.449","0.003","8.2156","0.0014","20.383","0.004","90","","109.156","0.005","90","","2285.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl6 Cu3 N10 O4 -","- C42 H34 Cl6 Cu3 N10 O4 -","- C84 H68 Cl12 Cu6 N20 O8 -","2","0.5","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.1193","0.0624","","","0.15","0.1834","","","","","","1.057","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7239596","24.7106","0.0015","24.7106","0.0015","23.2547","0.0014","90","","90","","90","","14199.6","1.5","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C13.68 H13.68 As4 Ce24 Na2 O214 W36 -","- C13.68 H13.68 As4 Ce24 Na2 O294 W36 -","- C27.36 H27.36 As8 Ce48 Na4 O588 W72 -","2","0.25","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.042","0.0326","","","0.067","0.0712","","","","","","1.019","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239597","18.6179","0.0013","19.6067","0.0015","27.947","0.002","99.61","0.004","105.262","0.004","108.594","0.004","8970.2","1.2","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1258","0.059","","","0.1233","0.1454","","","","","","1.015","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239598","11.9097","0.0007","15.2185","0.0008","21.8082","0.0013","90.152","0.003","101.47","0.003","101.06","0.003","3798.4","0.4","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C18 H18 As2 Ce12 Na12 O171.5 W18 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1101","0.0709","","","0.1719","0.1991","","","","","","1.056","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239599","18.4264","0.0012","19.3634","0.0012","26.7239","0.0015","105.118","0.003","98.139","0.003","112.226","0.002","8207.4","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C6 H6 As6 Ce12 Na30 O312 W54 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1086","0.0649","","","0.1513","0.1838","","","","","","1.054","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239600","9.9965","0.0005","16.562","0.001","18.7532","0.0011","90","","90","","90","","3104.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir dihydrate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4- ((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1- phenylbutan-2-yl)carbamate dihydrate","","- C27 H41 N3 O9 S -","- C27 H41 N3 O9 S -","- C108 H164 N12 O36 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.0748","0.0478","","","0.106","0.1225","","","","","","1.011","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239601","9.9846","0.0005","16.6017","0.001","19.0274","0.001","90","","90","","90","","3154","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir ethanol solvate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ethanol solvate","","- C29 H43 N3 O8 S -","- C29 H43 N3 O8 S -","- C116 H172 N12 O32 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.1451","0.0923","","","0.1391","0.1592","","","","","","1.103","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239602","51.7838","0.0017","28.8494","0.0013","6.281","0.0002","90","","90","","90","","9383.4","0.6","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 Co N6 O4 -","- C48 H28 Co N6 O4 -","- C384 H224 Co8 N48 O32 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0623","0.0611","","","0.1817","0.1834","","","","","","1.061","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239603","51.726","0.005","29.1071","0.0011","6.2678","0.0003","90","","90","","90","","9436.8","1.1","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 N6 O4 Zn -","- C48 H28 N6 O4 Zn -","- C384 H224 N48 O32 Zn8 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0776","0.0766","","","0.2262","0.2299","","","","","","1.085","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239604","7.8353","0.0002","29.6326","0.0009","24.7561","0.0009","90","","91.232","0.003","90","","5746.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Co2 N4 O9 -","- C48 H30 Co2 N4 O9 -","- C192 H120 Co8 N16 O36 -","4","1","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.078","0.0573","","","0.1517","0.1688","","","","","","0.94","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239626","10.4782","0.0006","15.198","0.0009","18.5232","0.0009","90","","114.6","0.003","90","","2682","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Sm -","- C28 H16 N2 O9 Sm -","- C112 H64 N8 O36 Sm4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0805","0.0358","","","0.0551","0.0581","","","","","","1.039","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239627","10.415","0.0004","15.1696","0.0006","18.3689","0.0005","90","","114.362","0.002","90","","2643.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Dy N2 O9 -","- C28 H16 Dy N2 O9 -","- C112 H64 Dy4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0423","0.0342","","","0.0898","0.0936","","","","","","1.093","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239628","10.4591","0.0004","15.2111","0.0006","18.4571","0.0006","90","","114.593","0.002","90","","2670.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Gd N2 O9 -","- C28 H16 Gd N2 O9 -","- C112 H64 Gd4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0543","0.0376","","","0.0845","0.0902","","","","","","1.031","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239629","10.433","0.0006","15.2061","0.0009","18.4169","0.0009","90","","114.466","0.003","90","","2659.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Tb -","- C28 H16 N2 O9 Tb -","- C112 H64 N8 O36 Tb4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.057","0.0409","","","0.1015","0.1078","","","","","","1.084","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239630","10.4652","0.0004","15.1944","0.0006","18.4885","0.0006","90","","114.554","0.002","90","","2674.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Eu N2 O11 -","- C28 H20 Eu N2 O11 -","- C112 H80 Eu4 N8 O44 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0393","0.031","","","0.0737","0.0793","","","","","","1.032","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239634","8.1407","0.0003","8.7295","0.0003","15.6983","0.0005","78.8978","0.0011","79.5625","0.001","88.0006","0.0011","1076.6","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","1","0.5","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0479","0.0373","","","0.086","0.092","","","","","","1.029","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239635","35.2528","0.0006","15.7804","0.0003","13.089","0.0002","90","","109.954","0.001","90","","6844.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 K2 N10 O15.25 S2 -","- C24 H31 K2.002 N10 O15.25 S2 -","- C192 H248 K16.016 N80 O122 S16 -","8","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.083","0.0474","","","0.096","0.1163","","","","","","1.062","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239636","7.7666","0.0007","10.535","0.0009","20.5005","0.0017","90","","90.853","0.003","90","","1677.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","rgtm30m","","","- C12 H18 N5 Na O8 S -","- C12 H18 N5 Na O8 S -","- C48 H72 N20 Na4 O32 S4 -","4","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0767","0.0604","","","0.1285","0.1392","","","","","","1.106","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239637","7.207","0.0014","18.958","0.004","6.43","0.0013","90","","107.09","0.03","90","","839.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper coordination polymer","Cu-PDA","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Muthukumar, Pandi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Polymorphs of a copper coordination compound: interlinking active sites enhance the electrocatalytic activity of the coordination polymer compared to the coordination complex","CrystEngComm","2020","22","3","425","429","10.1039/C9CE01698H","","","0.61","synchrotron","","0.0346","0.033","","","0.0968","0.0976","","","","","","1.122","","","","has coordinates","257496","2020-10-21","18:00:00",""
"7239638","14.582","0.004","15.677","0.005","25.158","0.008","87.217","0.006","75.768","0.006","78.204","0.007","5457","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H106 Cl4 Cu4 Mn2 N22 O29 -","- C102 H100 Cl4 Cu4 Mn2 N22 O29 -","- C204 H200 Cl8 Cu8 Mn4 N44 O58 -","2","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","","0.71073","MoKα","","0.3005","0.0834","","","0.1701","0.2585","","","","","","0.937","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239639","12.3021","0.0004","12.3021","0.0004","42.415","0.002","90","","90","","90","","6419.2","0.4","130","0.1","130","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C8 H8 Br4 Na2 O8 -","- C8 H8 Br4 Na2 O8 -","- C128 H128 Br64 Na32 O128 -","16","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","x-ray","0.71073","MoKα","","0.0444","0.0364","","","0.0864","0.0903","","","","","","1.02","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239646","7.3955","0.0005","9.6559","0.0007","22.6536","0.0015","90","","96.448","0.002","90","","1607.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.074","0.0508","","","0.1354","0.1507","","","","","","1.017","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239647","7.4907","0.0006","9.7684","0.0008","10.3754","0.001","88.424","0.003","75.466","0.003","86.31","0.003","733.32","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C28 H38 N6 O4 -","2","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0616","0.0467","","","0.1271","0.1414","","","","","","1.05","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239648","7.5227","0.0003","15.5942","0.0006","13.0925","0.0005","90","","94.426","0.002","90","","1531.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4.08 -","- C15 H19 N3 O4.079 -","- C60 H76 N12 O16.316 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0527","0.0417","","","0.1177","0.1292","","","","","","0.919","","","","has coordinates,has disorder","257456","2020-10-21","18:00:00",""
"7239649","7.6003","0.0004","19.5864","0.0012","10.5405","0.0006","90","","93.758","0.002","90","","1565.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0506","0.0379","","","0.091","0.0994","","","","","","1.027","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239650","17.998","0.002","7.5198","0.0009","18.74","0.002","90","","97.185","0.003","90","","2516.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl N3 O2 -","- C12 H14 Cl N3 O2 -","- C96 H112 Cl8 N24 O16 -","8","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0691","0.0489","","","0.1075","0.1148","","","","","","1.047","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239651","8.4198","0.0003","10.7476","0.0003","16.418","0.0004","85.635","0.002","76.008","0.002","71.521","0.003","1367.3","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 K2 N2 O7 S4 -","- C17 H36 K2 N2 O7 S4 -","- C34 H72 K4 N4 O14 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.027","0.0261","","","0.0664","0.0672","","","","","","1.062","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239652","13.2315","0.0004","18.1852","0.0006","10.9088","0.0004","90","","97.753","0.003","90","","2600.85","0.15","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N2 O6 Rb2 S4 -","- C16 H32 N2 O6 Rb2 S4 -","- C64 H128 N8 O24 Rb8 S16 -","4","0.5","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0432","0.0317","","","0.0551","0.0583","","","","","","1.04","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239653","8.5349","0.0006","10.0169","0.0009","11.851","0.0007","101.882","0.007","101.773","0.006","107.864","0.007","904.01","0.13","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C13 H25 N2 O4 Rb S2 -","- C13 H25 N2 O4 Rb S2 -","- C26 H50 N4 O8 Rb2 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0493","0.0374","","","0.0646","0.069","","","","","","1.054","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239654","9.218","0.002","9.96","0.002","11.516","0.002","107.997","0.003","97.814","0.004","112.553","0.003","888.8","0.3","295.15","0.02","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O2 S2 -","- C13 H28 N2 O2 S2 -","- C26 H56 N4 O4 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","","0.71073","MoKα","","0.0657","0.0561","","","0.1394","0.1453","","","","","","1.056","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239655","7.7711","0.0004","9.8984","0.0004","13.0562","0.0005","68.661","0.004","76.137","0.004","76.487","0.004","896.21","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O5 S2 -","- C13 H28 N2 O5 S2 -","- C26 H56 N4 O10 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.0745","0.0721","","","0.2053","0.2063","","","","","","1.256","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239656","10.2515","0.0005","10.3826","0.0005","13.8953","0.0006","84.941","0.004","88.977","0.004","60.813","0.005","1285.63","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cs2 N2 O6 S4 -","- C16 H32 Cs2 N2 O6 S4 -","- C32 H64 Cs4 N4 O12 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0393","0.0324","","","0.0559","0.0593","","","","","","1.027","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239657","29.002","0.003","17.6197","0.0015","16.9351","0.0015","90","","90","","90","","8653.9","1.4","175","2","175","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H44 Cu10 I8 N8 O10 -","- C36 H44 Cu10 I8 N8 O10 -","- C144 H176 Cu40 I32 N32 O40 -","4","0.25","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","0.71073","MoKα","","0.0384","0.0315","","","0.0896","0.0926","","","","","","1.05","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239658","63.596","0.002","19.6651","0.0007","41.5695","0.0014","90","","130.571","0.001","90","","39490","2","175","2","175","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H80 Cu8 I4 N8 O16 -","- C112 H80 Cu8 I4 N8 O16 -","- C896 H640 Cu64 I32 N64 O128 -","8","1","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.0973","0.0894","","","0.3184","0.3334","","","","","","1.065","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239659","49.2699","0.0009","49.2699","0.0009","35.3426","0.0014","90","","90","","120","","74301","4","175","2","175","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H20 Cu6 I4 N4 O10 -","- C24 H20 Cu6 I4 N4 O10 -","- C432 H360 Cu108 I72 N72 O180 -","18","0.5","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.1111","0.0684","","","0.1879","0.2071","","","","","","1.003","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239660","12.6209","0.0006","15.82","0.0004","30.3571","0.0015","90","","90","","90","","6061.2","0.4","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/dopamine metastable complex","","","- C44 H75 Cl N25 O27.5 -","- C44 H48 Cl N25 O27.5 -","- C176 H192 Cl4 N100 O110 -","4","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1136","0.0947","","","0.257","0.282","","","","","","1.019","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239661","50.711","0.002","50.711","0.002","12.5325","0.0008","90","","90","","120","","27911","2","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/dopamine complex","","","- C44 H76 Cl N25 O28 -","- C44 H48 Cl N25 O27.916 -","- C792 H864 Cl18 N450 O502.488 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1104","0.0938","","","0.2792","0.3057","","","","","","1.105","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239662","48.442","0.002","48.442","0.002","12.4117","0.0004","90","","90","","120","","25223.5","1.7","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","'cucurbit[6]uril/dopamine complex - dried in air'","","","- C44 H62.67 Cl N25 O21.33 -","- C44 H48 Cl N25 O20.9493 -","- C792 H864 Cl18 N450 O377.088 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1379","0.1165","","","0.3189","0.3422","","","","","","1.129","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239666","11.5531","0.0015","14.3534","0.0017","19.165","0.002","90","","102.03","0.003","90","","3108.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.4 H36.2 Cd N4 O4.7 -","- C33.4 H36.2 Cd N4 O4.7 -","- C133.6 H144.8 Cd4 N16 O18.8 -","4","0.5","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0705","0.0609","","","0.1781","0.1918","","","","","","1.089","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239667","6.7975","0.0008","11.3175","0.0013","14.7971","0.0017","70.989","0.002","77.811","0.002","87.456","0.002","1051.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cd N2 O5 -","- C23 H20 Cd N2 O5 -","- C46 H40 Cd2 N4 O10 -","2","1","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0227","0.0209","","","0.0583","0.0594","","","","","","1.006","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239669","18.4449","0.001","10.4561","0.0005","3.8127","0.0002","90","","93.617","0.002","90","","733.86","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H10 F Ga N2 O8 -","- C14 H10 F Ga N2 O8 -","- C28 H20 F2 Ga2 N4 O16 -","2","0.25","","Wu, Junbiao; Lou, Luqi; Sun, Huaying; Tao, Chunyao; Li, Teng; Wang, Zhuopeng; Zhang, Xia; Li, Jiyang","Photochromic inorganic‒organic complex derived from low-cost deep eutectic solvents with tunable photocurrent responses and photocatalytic properties","CrystEngComm","2020","22","6","1078","1085","10.1039/C9CE01727E","","","0.71073","MoKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.176","","","","has coordinates","257474","2020-10-21","18:00:00",""
"7239671","11.143","0.006","14.102","0.007","16.943","0.009","105.376","0.008","96.152","0.009","105.879","0.009","2422","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","1","0.5","","Zhang, Jie; Zhou, Wendi; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A stable dual-emitting dye@LMOF luminescence probe for the rapid and visible detection of organophosphorous pesticides in aqueous media","CrystEngComm","2020","22","6","1050","1056","10.1039/C9CE01846H","","","0.71073","MoKα","","0.0994","0.0477","","","0.1075","0.1263","","","","","","0.887","","","","has coordinates","257472","2020-10-21","18:00:00",""
"7239672","9.582","0.0009","14.7653","0.0013","16.1241","0.0012","90","","90","","90","","2281.3","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Mn N9 O4 -","- C17 H21 Cl2 Mn N9 O4 -","- C68 H84 Cl8 Mn4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0306","0.0295","","","0.0726","0.0733","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239673","9.5465","0.0006","14.6856","0.001","15.9616","0.0012","90","","90","","90","","2237.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Co N9 O4 -","- C17 H21 Cl2 Co N9 O4 -","- C68 H84 Cl8 Co4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0271","0.0248","","","0.06","0.0613","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239674","9.396","0.004","14.669","0.006","16.074","0.007","90","","90","","90","","2215.5","1.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Fe N9 O4 -","- C17 H21 Cl2 Fe N9 O4 -","- C68 H84 Cl8 Fe4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0351","0.0312","","","0.0741","0.0765","","","","","","0.992","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239675","10.2032","0.0003","12.8833","0.0005","19.1031","0.0006","80.2128","0.0017","79.7746","0.0012","80.6301","0.0016","2412.39","0.14","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl4 Fe2 N18 O17 -","- C34 H42 Cl4 Fe2 N18 O17 -","- C68 H84 Cl8 Fe4 N36 O34 -","2","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0623","0.0576","","","0.1663","0.1719","","","","","","1.019","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239676","9.4888","0.0007","14.7278","0.0009","15.9298","0.001","90","","90","","90","","2226.2","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 Ni O4 -","- C17 H21 Cl2 N9 Ni O4 -","- C68 H84 Cl8 N36 Ni4 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0242","0.0228","","","0.0548","0.0553","","","","","","1.058","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239677","9.5605","0.0008","14.6922","0.0011","15.96","0.0014","90","","90","","90","","2241.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 O4 Zn -","- C17 H21 Cl2 N9 O4 Zn -","- C68 H84 Cl8 N36 O16 Zn4 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0727","0.0462","","","0.0835","0.0956","","","","","","1.015","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239678","4.7829","0.0014","11.669","0.004","21.83","0.007","90","","93.778","0.012","90","","1215.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid/1,2-Phenylendiamine","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tier, Aniele Z.; Wust, Keli M.; Vieira, Jean C. B.; Sardo, Mariana; Čendak, Tomaž; Mafra, Luís; Rocha, João; Gindri, Izabelle M.; Hörner, Manfredo; Frizzo, Clarissa P.","Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine","CrystEngComm","2020","22","4","708","719","10.1039/C9CE01650C","","","0.71073","MoKα","","0.0544","0.0393","","","0.0993","0.1084","","","","","","1.043","","","","has coordinates","257455","2020-10-21","18:00:00",""
"7239679","27.453","0.006","16.474","0.003","20.208","0.004","90","","104.43","0.03","90","","8851","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Ce Cu6 I9 N8 O12 -","- C68 H48 Ce Cu6 I9 N8 O12 -","- C272 H192 Ce4 Cu24 I36 N32 O48 -","4","1","","Liu, Jian-Jun; You, Ming-Hua; Li, Meng-Hua; Huang, Chang-Cang; Lin, Mei-Jin","A heterometallic D‒A hybrid heterostructural framework with enhanced visible-light photocatalytic properties","CrystEngComm","2020","22","3","420","424","10.1039/C9CE01582E","","","0.71073","MoKα","","0.1421","0.0703","","","0.1639","0.1951","","","","","","1.056","","","","has coordinates","257493","2020-10-21","18:00:00",""
"7239680","6.5011","0.0008","10.2497","0.0012","11.0964","0.0013","97.74","0.01","99.84","0.011","90.131","0.01","721.64","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","CBNT","carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C10 H28 N28 O14 -","2","1","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","x-ray","0.71073","MoKα","","0.1036","0.0597","","","0.1394","0.1664","","","","","","1.054","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239681","6.0311","0.0002","6.9489","0.0002","11.1061","0.0004","77.437","0.001","89.786","0.001","75.146","0.001","438.46","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","1","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0396","0.0353","","","0.0905","0.0947","","","","","","1.027","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239682","5.246","0.0002","17.8848","0.0007","6.3117","0.0002","90","","112.398","0.002","90","","547.51","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C8 H16 N20 O12 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.037","0.0342","","","0.0877","0.0904","","","","","","1.058","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239683","12.991","0.0007","4.6699","0.0002","14.4974","0.0007","90","","95.171","0.002","90","","875.93","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","H2BNT.2DMSO","","","- C8 H16 N10 O6 S2 -","- C8 H16 N10 O6 S2 -","- C16 H32 N20 O12 S4 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0482","0.0431","","","0.1215","0.1267","","","","","","1.047","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239684","23.5305","0.0006","18.3481","0.0005","22.9597","0.0006","90","","110.077","0.0012","90","","9310.3","0.4","296","2","296.15","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C37 H29 Co2 N7 O11 Si -","- C37 H29 Co2 N7 O11 Si -","- C296 H232 Co16 N56 O88 Si8 -","8","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0547","0.0415","","","0.1131","0.1223","","","","","","1.04","","","","has coordinates","257495","2020-10-21","18:00:00",""
"7239685","13.1934","0.0007","25.825","0.0014","23.1357","0.0012","90","","91.599","0.003","90","","7879.7","0.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Co3 N7 O22 Si2 -","- C65 H53 Co3 N7 O22 Si2 -","- C260 H212 Co12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0667","0.0464","","","0.12","0.1332","","","","","","1.019","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239686","13.3181","0.0012","26.176","0.003","23.309","0.0019","90","","93.237","0.003","90","","8112.9","1.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Cd3 N7 O22 Si2 -","- C65 H53 Cd3 N7 O22 Si2 -","- C260 H212 Cd12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0792","0.0477","","","0.1201","0.1303","","","","","","1.07","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239687","10.539","0.0003","15.4431","0.0004","11.3497","0.0003","90","","105.214","0.001","90","","1782.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C76 H108 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.045","0.0368","","","0.0965","0.1025","","","","","","1.012","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239688","14.9094","0.0006","12.1019","0.0005","10.5363","0.0005","90","","107.758","0.001","90","","1810.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0466","0.0372","","","0.0986","0.1052","","","","","","1.04","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239689","9.4774","0.0004","12.916","0.0006","15.3582","0.0007","90","","99.847","0.001","90","","1852.3","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0455","0.0367","","","0.1086","0.1157","","","","","","1.045","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239690","19.645","0.004","15.735","0.003","14.349","0.003","90","","114.347","0.007","90","","4041","1.4","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0767","0.0533","","","0.1496","0.1646","","","","","","1.122","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239691","18.8607","0.0008","15.592","0.0007","14.1742","0.0006","90","","109.206","0.001","90","","3936.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0771","0.0459","","","0.1276","0.1505","","","","","","1","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239692","10.5361","0.0006","11.2474","0.0006","16.3452","0.001","90","","100.077","0.002","90","","1907.09","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O3 S -","- C19 H24 F3 N O3 S -","- C76 H96 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0581","0.0428","","","0.1216","0.1326","","","","","","1.08","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239693","12.0138","0.0006","12.648","0.0006","13.5487","0.0007","107.167","0.002","111.066","0.002","97.215","0.002","1772.5","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O3 S -","- C18 H24 N2 O3 S -","- C72 H96 N8 O12 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.075","0.0466","","","0.1128","0.1264","","","","","","1.005","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239694","6.6214","0.0014","10.2453","0.0017","13.391","0.002","91.638","0.014","96.14","0.017","100.447","0.016","887.2","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C38 H54 N2 O4 S2 -","2","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","x-ray","1.54184","CuKα","","0.062","0.0422","","","0.1183","0.135","","","","","","0.983","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239695","11.0788","0.0005","12.2658","0.0006","12.9608","0.0006","90","","108.438","0.001","90","","1670.84","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0589","0.0449","","","0.1215","0.1321","","","","","","0.993","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239696","13.3372","0.0006","6.7727","0.0003","21.8857","0.001","90","","101.262","0.002","90","","1938.84","0.15","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H28 N2 O5 S -","- C18 H28 N2 O5 S -","- C72 H112 N8 O20 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0659","0.0476","","","0.1037","0.1121","","","","","","0.986","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239697","19.5823","0.0013","15.69","0.001","14.2997","0.001","90","","114.189","0.002","90","","4007.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0745","0.0501","","","0.1439","0.1607","","","","","","1.135","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239698","10.5236","0.0003","13.9711","0.0004","14.1761","0.0004","78.441","0.001","85.252","0.001","73.432","0.001","1956.48","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0652","0.0453","","","0.1152","0.1265","","","","","","1.016","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239699","11.0703","0.0005","12.2683","0.0005","13.2315","0.0006","107.558","0.002","90.903","0.002","102.794","0.002","1664.16","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C68 H80 F12 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0822","0.0499","","","0.1146","0.1287","","","","","","1.014","","","","has coordinates,has disorder","257469","2020-10-21","18:00:00",""
"7239700","4.7609","0.0005","8.472","0.001","23.813","0.002","90","","92.392","0.007","90","","959.64","0.17","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Cl N -","- C9 H10 Cl0.5 N0.5 -","- C36 H40 Cl2 N2 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.0837","0.0603","","","0.1927","0.2033","","","","","","1.112","","","","has coordinates,has disorder","257492","2020-10-21","18:00:00",""
"7239701","5.9346","0.0006","11.9374","0.0014","13.4258","0.0015","73.485","0.009","85.966","0.008","82.697","0.008","903.91","0.18","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N O2 -","- C22 H22 N O2 -","- C44 H44 N2 O4 -","2","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.1615","0.1032","","","0.2683","0.3299","","","","","","1.12","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239702","5.8479","0.0003","8.0949","0.0004","40.0427","0.0014","90","","91.972","0.003","90","","1894.43","0.15","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1006","0.0901","","","0.2172","0.2224","","","","","","1.295","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239703","17.6232","0.0019","5.4878","0.0006","20.948","0.002","90","","108.417","0.007","90","","1922.2","0.4","250","2","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1393","0.0685","","","0.1406","0.1734","","","","","","0.992","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239704","30.706","0.002","9.6913","0.0007","11.0426","0.0009","90","","90","","90","","3286.1","0.4","296.4","0.8","296.4","0.8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.1443","0.0687","","","0.168","0.2141","","","","","","0.961","","","","has coordinates,has disorder","257489","2020-10-21","18:00:00",""
"7239705","11.725","0.001","6.1271","0.0004","16.0527","0.0015","90","","99.628","0.009","90","","1136.99","0.16","294","0.3","294","0.3","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H18 N O4 -","- C9 H18 N O4 -","- C36 H72 N4 O16 -","4","1","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.051","0.0429","","","0.1064","0.1141","","","","","","1.088","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239706","11.5328","0.001","6.1123","0.0005","16.0138","0.0014","90","","99.78","0.009","90","","1112.44","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H36 N2 O8 -","- C18 H36 N2 O8 -","- C36 H72 N4 O16 -","2","0.5","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0427","0.0398","","","0.0997","0.1026","","","","","","1.084","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239707","9.5719","0.0007","30.798","0.002","10.9331","0.0009","90","","90","","90","","3223","0.4","153","0.7","153","0.7","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0883","0.0638","","","0.1403","0.1609","","","","","","1.094","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239708","25.482","0.004","10.5445","0.0013","11.8015","0.0013","90","","90","","90","","3171","0.7","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H15 Cl N4 O4 -","- C14 H15 Cl N4 O4 -","- C112 H120 Cl8 N32 O32 -","8","0.5","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.1068","0.0887","","","0.2646","0.2899","","","","","","1.162","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239709","15.144","0.002","7.7696","0.001","11.1165","0.0014","90","","106.259","0.014","90","","1255.7","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","x-ray","0.71073","MoKα","","0.0356","0.0315","","","0.0807","0.0839","","","","","","1.03","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239710","11.4937","0.0006","14.6527","0.0007","22.6545","0.0006","71.776","0.003","87.979","0.003","85.994","0.004","3614.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cd2 Cl4 N16 O25 -","- C56 H64 Cd2 Cl4 N16 O25 -","- C112 H128 Cd4 Cl8 N32 O50 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","1.54184","CuKα","","0.0628","0.0558","","","0.1437","0.1492","","","","","","1.032","","","","has coordinates,has disorder","257451","2020-10-21","18:00:00",""
"7239711","9.8814","0.0003","14.19","0.0004","15.7164","0.0005","94.95","0.003","91.893","0.003","100.06","0.003","2159.13","0.12","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36.8 H34 Cd N8.4 O6 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.0591","0.0551","","","0.1377","0.1399","","","","","","1.065","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239712","9.8572","0.0005","14.2441","0.0007","15.6512","0.0009","96.235","0.004","94.357","0.004","100.569","0.004","2137.1","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cd N8 O9 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.075","0.063","","","0.1472","0.1511","","","","","","1.108","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239717","8.3885","0.0004","8.501","0.0004","12.0706","0.0006","106.955","0.001","105.901","0.001","100.707","0.001","758.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","1","0.5","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0246","0.0226","","","0.0618","0.0634","","","","","","1.057","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239718","17.3","0.0002","17.3","0.0002","14.446","0.0003","90","","90","","90","","4323.54","0.11","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C32 H80 Gd9 N16 O50 -","- C32 H80 Gd9 N16 O50 -","- C64 H160 Gd18 N32 O100 -","2","0.25","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0563","0.0573","","","","","","1.033","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239719","18.4916","0.0016","18.4916","0.0016","21.4412","0.0019","90","","90","","90","","7331.6","1.1","296","2","296.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C48 H32 Gd12 N16 O64 -","- C48 H32 Gd12 N16 O64 -","- C96 H64 Gd24 N32 O128 -","2","0.125","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0564","0.0506","","","0.1429","0.1467","","","","","","1.038","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239725","11.8376","0.0002","19.8062","0.0004","11.5994","0.0003","90","","93.465","0.001","90","","2714.6","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu N4 O6 -","- C31 H22 Cu N4 O6 -","- C124 H88 Cu4 N16 O24 -","4","1","","Huang, Chao; Zhu, Kaifang; Lu, Guizhen; Zhang, Yingying; Wang, Dandan; Zhang, Dianbo; Mi, Liwei; Hou, Hongwei","Oriented assembly of copper metal‒organic framework membranes as tandem catalysts to enhance C‒H hydroxyalkynylation reactions with regiocontrol","CrystEngComm","2020","22","4","802","810","10.1039/C9CE01719D","","","0.71073","MoKα","","0.0788","0.0697","","","0.1911","0.2012","","","","","","1.054","","","","has coordinates","257454","2020-10-21","18:00:00",""
"7239726","32.816","0.012","9.466","0.005","33.049","0.013","90","","118.73","0.03","90","","9002","7","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C34 H24 Br2 Co2 N6 O8 -","- C34 H24 Br2 Co2 N6 O8 -","- C272 H192 Br16 Co16 N48 O64 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0531","0.0338","","","0.078","0.0843","","","","","","1.044","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239727","19.47","0.003","11.53","0.015","29.73","0.004","90","","107.15","0.009","90","","6377","8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 Co3 N12 O16 S2 -","- C52 H46 Co3 N12 O16 S2 -","- C208 H184 Co12 N48 O64 S8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0953","0.0803","","","0.1981","0.2053","","","","","","1.174","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239728","52.46","0.007","7.211","0.001","19.47","0.003","90","","90","","90","","7365.3","1.8","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C112 H106 Co5 N28 O28 -","- C112 H106 Co5 N28 O28 -","- C224 H212 Co10 N56 O56 -","2","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0565","0.0352","","","0.07","0.072","","","","","","1.099","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239729","33.563","0.019","12.204","0.004","10.119","0.004","90","","90","","90","","4145","3","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H14 Co N4 O4 -","- C17 H14 Co N4 O4 -","- C136 H112 Co8 N32 O32 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0407","0.0374","","","0.1016","0.1036","","","","","","1.057","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239733","25.15","0.003","25.15","0.003","14.827","0.0019","90","","90","","90","","9378","2","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C480 H384 O96 -","16","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1387","0.0768","","","0.1994","0.2529","","","","","","1.015","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239734","10.969","0.002","18.363","0.003","19.253","0.004","90","","90","","90","","3878","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 O7 -","- C43 H48 O7 -","- C172 H192 O28 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0957","0.0781","","","0.2232","0.2534","","","","","","1.049","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239735","18.4376","0.0007","18.4376","0.0007","11.2852","0.0005","90","","90","","90","","3836.3","0.3","173","2","173","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O8 -","- C44 H48 O8 -","- C176 H192 O32 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","1.34139","GaKα","","0.0757","0.0736","","","0.2311","0.2331","","","","","","1.075","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239736","16.135","0.003","11.499","0.004","19.456","0.005","90","","90","","90","","3609.8","1.7","273","2","273","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0768","0.0516","","","0.1332","0.1506","","","","","","1.022","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239737","22.208","0.004","21.426","0.004","19.955","0.004","90","","110.64","0.03","90","","8886","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 N4 O4 -","- C44 H44 N4 O4 -","- C352 H352 N32 O32 -","8","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1444","0.0669","","","0.19","0.2278","","","","","","0.941","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239738","26.68","0.006","16.08","0.004","17.734","0.004","90","","111.563","0.003","90","","7076","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74 Cl2 O16 -","- C77 H74 Cl2 O16 -","- C308 H296 Cl8 O64 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1469","0.0937","","","0.281","0.3408","","","","","","1.165","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239739","17.7822","0.0006","17.782","0.002","43.687","0.0013","90","","90","","90","","13814","1.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H32 O8 -","- C44 H32 O8 -","- C704 H512 O128 -","16","2","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1834","0.057","","","0.0714","0.0841","","","","","","1.05","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239740","7.4239","0.0014","7.4239","0.0014","13.169","0.003","90","","90","","90","","725.8","0.3","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co0.69 Cs1.29 Ge1.81 O5 -","- Co0.691 Cs1.2858 Ge1.809 O5 -","- Co2.764 Cs5.1432 Ge7.236 O20 -","4","0.5","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0217","0.0206","","","0.0514","0.0518","","","","","","1.062","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239741","8.9926","0.0004","5.4599","0.0002","9.3958","0.0006","90","","91.5928","0.0018","90","","461.14","0.04","301","2","301","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Co0.5 Cs O4 Si1.5 -","- Co0.5 Cs O4 Si1.5 -","- Co2 Cs4 O16 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0428","0.0457","","","","","","1.15","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239742","8.996","0.002","5.45","0.001","9.381","0.002","90","","90.709","0.017","90","","459.9","0.16","301","2","301","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co2 Cs3.44 O16 Rb0.56 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0345","0.0309","","","0.0706","0.0741","","","","","","1.091","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239743","7.354","0.0006","7.354","0.0006","13.1122","0.0011","90","","90","","90","","709.13","0.1","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co Cs2 Ge4 O10 -","- Co Cs2 Ge4 O10 -","- Co2 Cs4 Ge8 O20 -","2","0.25","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0248","0.0235","","","0.0651","0.0661","","","","","","1.221","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239752","9.6267","0.0007","5.2704","0.0002","13.829","0.0017","90","","109.943","0.011","90","","659.56","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","1","0.5","","Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.","Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities","CrystEngComm","2020","22","5","986","997","10.1039/C9CE01333D","","x-ray","1.54184","CuKα","","0.0829","0.0687","","","0.1864","0.2039","","","","","","1.025","","","","has coordinates,has disorder","257450","2020-10-21","18:00:00",""
"7239753","20.5773","0.0013","7.6357","0.0005","20.5774","0.0006","90","","94.06","0.01","90","","3225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cd2 N4 O8 -","- C42 H28 Cd2 N4 O8 -","- C168 H112 Cd8 N16 O32 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0213","0.0211","","","0.0565","0.0566","","","","","","1.027","","","","has coordinates,has disorder","257479","2020-10-21","18:00:00",""
"7239754","15.5031","0.0009","10.5717","0.0006","18.4527","0.0011","90","","107.028","0.001","90","","2891.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0335","0.0267","","","0.0887","0.0996","","","","","","1.079","","","","has coordinates","257479","2020-10-21","18:00:00",""
"7239759","9.588","0.0012","9.1464","0.0013","15.181","0.003","90","","95.161","0.013","90","","1325.9","0.4","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C10H16N)2MnBr4","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang","An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature","CrystEngComm","2020","22","8","1436","1441","10.1039/C9CE01888C","","","1.54178","CuKα","","0.041","0.0391","","","0.1128","0.1154","","","","","","1.048","","","","has coordinates","257440","2020-10-21","18:00:00",""
"7239762","8.8377","0.0006","11.5913","0.0009","12.6874","0.0011","68.122","0.008","86.872","0.007","80.728","0.006","1190.32","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl I N5 Pd -","- C24 H25 Cl I N5 Pd -","- C48 H50 Cl2 I2 N10 Pd2 -","2","1","","Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A.","(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies","CrystEngComm","2020","22","7","1154","1159","10.1039/C9CE01741K","","","0.71073","MoKα","","0.045","0.0322","","","0.063","0.0696","","","","","","1.035","","","","has coordinates","257478","2020-10-21","18:00:00",""
"7239766","11.5375","0.0016","14.0705","0.0006","14.9602","0.001","90.864","0.004","106.952","0.011","93.424","0.008","2317.6","0.4","292.5","0.5","292.5","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","1","0.5","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","x-ray","1.54184","CuKα","","0.1147","0.0908","","","0.242","0.284","","","","","","1.023","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239767","11.372","0.004","13.957","0.005","11.331","0.004","90","","95.083","0.013","90","","1791.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Ho N O9 -","- C15 H10 Ho N O9 -","- C60 H40 Ho4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0761","0.0423","","","0.0892","0.0989","","","","","","1.067","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239768","11.3968","0.0005","14.0119","0.0006","11.3978","0.0005","90","","95.65","","90","","1811.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N O9 Tb -","- C15 H10 N O9 Tb -","- C60 H40 N4 O36 Tb4 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0587","0.0346","","","0.0805","0.089","","","","","","1.071","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239769","11.3313","0.0008","13.9527","0.0009","11.2894","0.0008","90","","95.06","0.002","90","","1777.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Er N O9 -","- C15 H10 Er N O9 -","- C60 H40 Er4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0865","0.0433","","","0.0841","0.0959","","","","","","1.02","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239770","11.3894","0.0011","13.9859","0.0015","11.3879","0.0011","90","","95.636","0.003","90","","1805.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Dy N O9 -","- C15 H10 Dy N O9 -","- C60 H40 Dy4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.051","0.0308","","","0.0777","0.0845","","","","","","1.086","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239771","11.531","0.001","14.1029","0.0012","15.0556","0.0012","90.64","0.004","104.331","0.005","93.532","0.004","2366.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H24 Gd2 N3.5 O16 -","- C45.5 H24 Gd2 N3.5 O16 -","- C91 H48 Gd4 N7 O32 -","2","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","1.54178","CuKα","","0.1045","0.0721","","","0.1454","0.163","","","","","","1.066","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239772","16.1109","0.0005","19.4781","0.0006","15.7553","0.0005","90","","90","","90","","4944.2","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H50 Cu2 N4 O15 -","- C51 H50 Cu2 N4 O15 -","- C204 H200 Cu8 N16 O60 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0708","0.0506","","","0.1461","0.1732","","","","","","1.023","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239773","15.773","0.003","15.649","0.003","12.824","0.003","90","","109.34","0.03","90","","2986.7","1.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cu N2 O10 -","- C25 H26 Cu N2 O10 -","- C100 H104 Cu4 N8 O40 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0741","0.0654","","","0.1944","0.2002","","","","","","1.072","","","","has coordinates,has disorder","247041","2020-10-21","18:00:00",""
"7239774","13.224","0.003","14.236","0.003","12.886","0.003","90","","103.52","0.03","90","","2358.7","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N2 O5 S -","- C26 H22 Cu N2 O5 S -","- C104 H88 Cu4 N8 O20 S4 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0804","0.0642","","","0.1673","0.1776","","","","","","1.082","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239775","9.4217","0.0005","10.3198","0.0006","13.0913","0.0006","67.835","0.005","71.685","0.005","86.556","0.005","1116.61","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","Fc Trip","","- C30 H24 Fe -","- C30 H24 Fe -","- C60 H48 Fe2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.0733","0.0538","","","0.1391","0.1533","","","","","","1.028","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239776","13.332","0.0015","13.4018","0.0012","16.138","0.002","95.029","0.009","105.145","0.011","119.521","0.01","2340.2","0.6","298","","298","","","","","","","","","3","P -1","-P 1","2","","FCC2trip","","- C64 H46 Fe2 -","- C64 H46 Fe2 -","- C128 H92 Fe4 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","","0.71073","MoKα","","0.2107","0.0914","","","0.1986","0.2736","","","","","","1.021","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239777","8.9336","0.0001","8.4105","0.0001","28.5683","0.0004","90","","93.582","0.001","90","","2142.32","0.05","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cocrystal 4","","- C60 H46 Fe2 -","- C60 H46 Fe2 -","- C120 H92 Fe4 -","2","0.5","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.0497","0.0438","","","0.1287","0.1397","","","","","","1.042","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239778","9.6767","0.0012","10.3972","0.0012","12.9455","0.0015","70.641","0.01","71.847","0.011","89.794","0.01","1160.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TripFccho","","- C31 H24 Fe O -","- C31 H24 Fe O -","- C62 H48 Fe2 O2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.2121","0.1203","","","0.3157","0.3924","","","","","","0.961","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239779","7.95","0.0004","28.507","0.002","15.5007","0.0008","90","","104.262","0.005","90","","3404.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TripPCPfc","","- C48 H38 Fe -","- C48 H38 Fe -","- C192 H152 Fe4 -","4","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.1747","0.1158","","","0.3075","0.3614","","","","","","1.027","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239780","11.324","0.0009","12.502","0.004","14.398","0.004","90","","90","","90","","2038.4","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0457","0.0321","","","0.0551","0.0588","","","","","","1.015","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239781","11.6797","0.0013","12.746","0.002","16.331","0.002","90","","100.554","0.01","90","","2390.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl5 Hg N2 O4 -","- C19 H19 Cl5 Hg N2 O4 -","- C76 H76 Cl20 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.1137","0.0477","","","0.0862","0.1085","","","","","","0.823","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239782","11.321","0.007","12.502","0.006","14.4","0.02","90","","90","","90","","2038","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0361","0.0287","","","0.0511","0.0532","","","","","","1.024","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239783","18.3123","0.0007","18.3932","0.0006","5.8857","0.0003","90","","90","","90","","1982.43","0.14","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0846","0.0614","","","0.1397","0.1454","","","","","","1.22","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239793","11.9118","0.0006","11.9118","0.0006","10.959","0.0007","90","","90","","120","","1346.65","0.13","294","","294","1","","","","","","","","3","P 63/m c m","-P 6c 2","193","1,3-Adamantanediol","","","- C10 H16 O2 -","- C10 H16 O2 -","- C60 H96 O12 -","6","0.25","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247068","2020-10-21","18:00:00",""
"7239794","14.9792","0.0009","9.7677","0.0006","7.2734","0.0005","90","","90","","90","","1064.19","0.12","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","1,3-dibromoAdamantane","","","- C10 H14 Br2 -","- C10 H14 Br2 -","- C40 H56 Br8 -","4","0.5","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247069","2020-10-21","18:00:00",""
"7239795","7.7576","0.0018","12.0856","0.0002","11.7068","0.0019","90","","112.271","0.012","90","","1015.7","0.3","120","1","120","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-dimethyAdamantane","","","- C12 H20 -","- C12 H20 -","- C48 H80 -","4","1","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247070","2020-10-21","18:00:00",""
"7239796","5.6","0.0005","7.2286","0.0006","8.4078","0.0008","109.17","0.008","93.81","0.007","103.285","0.007","309.12","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","","Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej","Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers","CrystEngComm","2020","22","11","2031","2041","10.1039/C9CE01397K","","","0.71073","MoKα","","0.0828","0.0465","","","0.1068","0.1261","","","","","","1.112","","","","has coordinates","257486","2020-10-21","18:00:00",""
"7239811","9.1672","0.0004","9.2117","0.0005","14.89","0.0008","86.026","0.003","72.591","0.002","65.538","0.002","1089.94","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O2 S -","- C22 H24 N6 O2 S -","- C44 H48 N12 O4 S2 -","2","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0538","0.0419","","","0.1295","0.156","","","","","","1.097","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239812","9.5404","0.0007","13.9656","0.0009","18.1238","0.0012","90","","102.142","0.003","90","","2360.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C96 H104 N16 O20 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0732","0.0463","","","0.1163","0.1318","","","","","","1.047","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239813","11.973","0.0005","18.2134","0.0007","11.9964","0.0004","90","","96.699","0.002","90","","2598.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O7 S -","- C24 H30 N4 O7 S -","- C96 H120 N16 O28 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0895","0.0618","","","0.1489","0.1613","","","","","","1.208","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239814","9.9166","0.001","13.3673","0.0014","23.035","0.002","90","","97.163","0.005","90","","3029.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O9 S -","- C28 H32 N4 O9 S -","- C112 H128 N16 O36 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.1234","0.0781","","","0.2347","0.2804","","","","","","1.038","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239815","18.805","0.005","15.975","0.004","27.184","0.006","90","0.02","92.65","0.02","90","0.02","8158","3","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate ethanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate ethanol solvate","","- C74 H114 N12 O20 -","- C74 H114 N12 O20 -","- C296 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2689","0.1475","","","0.3586","0.4628","","","","","","1.159","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239816","14.445","0.005","17.013","0.0019","15.845","0.004","90","","108.81","0.04","90","","3686","1.9","293","2","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium hydrogentrinitrophloroglucinolate tetrahydrofurane solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) tetrahydrofurane solvate","","- C34 H53 N5 O11 -","- C34 H53 N5 O11 -","- C136 H212 N20 O44 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3257","0.1303","","","0.2939","0.3522","","","","","","1.365","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239817","14.4004","0.0012","16.1041","0.0009","18.7528","0.001","90","","105.42","0.007","90","","4192.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate","","- C36 H54 N6 O11 -","- C36 H54 N6 O11 -","- C144 H216 N24 O44 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2051","0.1146","","","0.3129","0.3805","","","","","","1.046","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239818","18.9589","0.0006","16.0224","0.0007","26.5928","0.0013","90","","93.164","0.004","90","","8065.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C73 H114 N12 O20 -","- C73 H114 N12 O20 -","- C292 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2384","0.1103","","","0.2936","0.3772","","","","","","0.971","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239819","11.1478","0.0003","22.3581","0.0008","29.9866","0.0012","90","","90","","90","","7474","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium dihydrogentrinitrophloroglucinolate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C16 H20 N4 O9 -","- C16 H20 N4 O9 -","- C256 H320 N64 O144 -","16","2","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0963","0.0648","","","0.1527","0.1699","","","","","","1.044","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239820","18.37","0.003","16.06","0.002","27.34","0.003","90","","90","","90","","8065.9","1.9","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate bis(2,2,2-trifluoroethanol) solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) bis(2,2,2-trifluoroethanol) solvate","","- C76 H114 F6 N12 O20 -","- C76 H114 F6 N12 O19.9998 -","- C304 H456 F24 N48 O79.9992 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3572","0.1129","","","0.2217","0.3249","","","","","","0.909","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239821","11.5708","0.0006","14.8651","0.0009","17.1263","0.0008","101.65","0.004","108.206","0.005","107.592","0.005","2520.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 N6 O14 S3 -","- C42 H76 N6 O14 S3 -","- C84 H152 N12 O28 S6 -","2","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.1231","0.0817","","","0.1982","0.2257","","","","","","1.022","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239822","16.1105","0.0014","26.198","0.003","35.156","0.005","90","","90","","90","","14838","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium hydrogentrinitrophloroglucinolate trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium 5-hydroxy-2,4,6-trinitrobenzene-1,3-bis(olate) trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C66 H106 N11 O23 -","- C66 H106 N11 O23 -","- C528 H848 N88 O184 -","8","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.4225","0.1872","","","0.2621","0.3583","","","","","","1.024","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239823","12.7841","0.0009","6.8465","0.0004","21.4945","0.0014","90","","105.996","0.007","90","","1808.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C64 H88 N16 O32 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.151","0.0862","","","0.1759","0.2078","","","","","","1.057","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239824","18.4656","0.0011","16.0811","0.0011","27.4522","0.0018","90","","90","","90","","8151.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate propan-1-ol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) propan-1-ol solvate","","- C78 H124 N12 O20 -","- C78 H124 N12 O20 -","- C312 H496 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2896","0.0902","","","0.1471","0.2101","","","","","","0.929","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239825","14.2574","0.0009","17.0725","0.0007","15.864","0.0009","90","","113.279","0.007","90","","3547.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C30 H49 N5 O10 S2 -","- C30 H49 N5 O10 S2 -","- C120 H196 N20 O40 S8 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.081","0.0592","","","0.1481","0.1622","","","","","","1.041","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239826","17.5039","0.0007","18.8674","0.0006","20.3861","0.0007","90","","103.005","0.004","90","","6559.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium hidrohentrinitrophloroglucinolate 2,2,2-trifluoroethanol solvate","adamantan-1-aminium 5-hydroxytrinitrobenzene-1,3-bis(olate) 2,2,2-trifluoroethanol solvate","","- C56 H78 F6 N10 O20 -","- C56 H78 F6 N10 O20 -","- C224 H312 F24 N40 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.175","0.1245","","","0.3587","0.3987","","","","","","1.405","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239827","10.2615","0.0007","17.7734","0.001","8.8411","0.0007","90","","113.363","0.008","90","","1480.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl-1-aminium trinitrophloroglucinolate","methyl-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C36 H72 N24 O36 -","6","1.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0594","0.0443","","","0.1133","0.1227","","","","","","1.035","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239828","21.8759","0.0013","16.7522","0.0008","15.7197","0.001","90","","110.086","0.007","90","","5410.4","0.6","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tertbutylaminium trinitrophloroglucinolate hydrate methanol solvate","2-methylpropyl-2-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C37 H82 N12 O22 -","- C37 H82 N12 O22 -","- C148 H328 N48 O88 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2168","0.1141","","","0.1863","0.2264","","","","","","1.089","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239833","11.5837","0.0012","11.636","0.001","14.9736","0.0015","84.127","0.008","69.621","0.009","81.635","0.008","1868.9","0.3","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 S4 Sn2 -","- C34 H46 N2 S4 Sn2 -","- C68 H92 N4 S8 Sn4 -","2","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.1152","0.0765","","","0.1717","0.2054","","","","","","1.066","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239834","12.7459","0.0003","10.8694","0.0002","18.1443","0.0004","90","","90","","90","","2513.72","0.09","150","2","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 S4 Sn2 -","- C22 H22 N2 S4 Sn2 -","- C88 H88 N8 S16 Sn8 -","4","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.034","0.031","","","0.0745","0.0761","","","","","","1.09","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239836","8.3178","0.0002","8.9144","0.0002","8.987","0.0003","64.183","0.003","86.148","0.002","78.931","0.002","588.6","0.03","299.6","0.3","299.6","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N2 O7 P2 Zn -","- C6 H16 N2 O7 P2 Zn -","- C12 H32 N4 O14 P4 Zn2 -","2","1","","Zhou, Shufang; wu, guomei; Lin, Tian; Zhang, Chenxi; Wang, Qing-Lun","A dual-function metal phosphate for high proton conduction and selective luminescence turn-on sensing of Co2+ ions","CrystEngComm","2020","","","","","10.1039/C9CE02031D","","x-ray","1.54184","CuKα","","0.0326","0.0304","","","0.0841","0.0853","","","","","","1.104","","","","has coordinates","247330","2020-10-21","18:00:00",""
"7239837","11.2742","0.0003","15.1845","0.0005","21.7739","0.0008","90","","96.828","0.003","90","","3701.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Dy2 N7 O14 -","- C33 H35 Dy2 N7 O14 -","- C132 H140 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.0731","0.0496","","","0.117","0.13","","","","","","1.03","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239838","11.3326","0.0004","15.5518","0.0006","21.8107","0.0008","90","","97.484","0.003","90","","3811.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Dy2 N7 O14 -","- C34 H37 Dy2 N7 O14 -","- C136 H148 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.079","0.0622","","","0.1563","0.1851","","","","","","1.059","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239839","7.4833","0.0002","8.152","0.0002","16.1344","0.0004","98.002","0.001","91.532","0.001","102.448","0.001","950.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0482","0.036","","","0.0864","0.0921","","","","","","1.035","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239840","7.9356","0.0009","10.3848","0.0012","13.1949","0.0015","108.741","0.003","93.495","0.003","109.913","0.003","950.27","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0524","0.0409","","","0.109","0.1158","","","","","","1.041","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239841","12.3517","0.0016","8.3507","0.0011","18.174","0.002","90","","98.788","0.004","90","","1852.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C72 H80 N24 O12 S4 -","4","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.1406","0.075","","","0.1519","0.1753","","","","","","1.062","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239849","9.3329","0.0013","16.012","0.002","16.212","0.002","107.789","0.005","90.226","0.005","97.585","0.005","2284.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 B2 O20 Tb2 -","- C42 H28 B2 O20 Tb2 -","- C84 H56 B4 O40 Tb4 -","2","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0738","0.0548","","","0.1441","0.1547","","","","","","1.056","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239850","4.5881","0.0013","6.5905","0.0016","29.664","0.008","90","","90","","90","","897","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 B Na O5 -","- C7 H4 B Na O5 -","- C28 H16 B4 Na4 O20 -","4","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0539","0.0487","","","0.1378","0.1404","","","","","","1.022","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239851","18.42","0.004","10.567","0.002","8.8377","0.0018","90","","90","","90","","1720.2","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 Co N10 Na O -","- C12 H12 Co N10 Na O -","- C48 H48 Co4 N40 Na4 O4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0334","0.0288","","","0.0675","0.0694","","","","","","1.131","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239852","13.61","0.02","8.824","0.011","15.27","0.02","90","","111.68","0.02","90","","1704","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Co N10 Rb -","- C12 H10 Co N10 Rb -","- C48 H40 Co4 N40 Rb4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.1071","0.0889","","","0.2648","0.2788","","","","","","1.113","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239853","8.8569","0.0003","8.8569","0.0003","19.0362","0.0009","90","","90","","120","","1293.23","0.09","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co N10 Rb -","- C11.001 Co N6 Rb -","- C33.003 Co3 N18 Rb3 -","3","0.166667","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0784","0.0748","","","0.2396","0.2415","","","","","","1.284","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239854","8.8341","0.0017","8.8341","0.0017","19.308","0.003","90","","90","","120","","1304.9","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co N10 Rb -","- C16.02 Co N6 Rb -","- C48.06 Co3 N18 Rb3 -","3","0.0833333","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.045","0.0421","","","0.1441","0.1481","","","","","","1.254","","","","has coordinates,has disorder","257432","2020-10-21","18:00:00",""
"7239861","7.4557","0.0003","12.6096","0.0005","13.7586","0.0003","94.478","0.003","98.662","0.003","101.166","0.003","1246.84","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.8 H7.2 Co0.4 N0.8 O3.2 S0.4 -","- C10.8 H6.4 Co0.4 N0.8 O3.2 S0.4 -","- C54 H32 Co2 N4 O16 S2 -","5","2.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.0534","0.0466","","","0.1213","0.1255","","","","","","1.03","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239862","10.5883","0.0004","12.9921","0.0005","14.4442","0.0005","63.887","0.004","79.26","0.003","79.327","0.003","1740.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9.29 H5.71 Co0.43 N0.57 O3 S0.43 -","- C9.28571 H5.28571 Co0.428571 N0.571429 O3 S0.428571 -","- C65 H37 Co3 N4 O21 S3 -","7","3.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1009","0.0915","","","0.2145","0.2196","","","","","","1.096","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239863","10.8048","0.0004","12.8422","0.0007","14.3174","0.0005","65.558","0.004","81.826","0.003","79.139","0.004","1771.62","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.62 H5 Co0.38 N0.5 O2.62 S0.38 -","- C8.625 H4.125 Co0.375 N0.5 O2.625 S0.375 -","- C69 H33 Co3 N4 O21 S3 -","8","4","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1596","0.1469","","","0.4052","0.4196","","","","","","1.247","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239864","17.876","0.002","27.491","0.002","11.3809","0.001","90","","90","","90","","5592.9","0.9","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C4.17 H2.67 Co0.17 N0.33 O1.17 S0.17 -","- C4.16667 H2 Co0.166667 N0.333333 O1.16667 S0.166667 -","- C100 H48 Co4 N8 O28 S4 -","24","3","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.186","0.0848","","","0.2211","0.2735","","","","","","0.931","","","","has coordinates","257430","2020-10-21","18:00:00",""
"7239865","10.0426","0.0014","15.734","0.002","17.504","0.003","101.186","0.002","96.301","0.002","101.842","0.002","2623.1","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","1","0.5","","Yang, Xiya; Zhu, Peipei; Ma, Xiaoliang; Li, Wenjing; Tan, Zenglong; Sha, Jingquan","Graphite-like polyoxometalate-based metal‒organic framework as an efficient anode for lithium ion batteries","CrystEngComm","2020","","","","","10.1039/C9CE01936G","","","0.71073","MoKα","","0.0757","0.0472","","","0.1338","0.1527","","","","","","1.038","","","","has coordinates","247513","2020-10-21","18:00:00",""
"7239868","30.2857","0.0013","16.998","0.0007","28.4898","0.0012","90","","95.403","0.002","90","","14601.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N3 O26 Zn5 -","- C46 H38 N3 O26 Zn5 -","- C368 H304 N24 O208 Zn40 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.181","0.1335","","","0.3646","0.3997","","","","","","1.054","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239869","9.4648","0.0003","16.2782","0.0006","11.5458","0.0004","90","","97.104","0.002","90","","1765.2","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mn N2 O7 -","- C15 H20 Mn N2 O7 -","- C60 H80 Mn4 N8 O28 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.0963","0.0766","","","0.2293","0.2451","","","","","","1.097","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239870","20.1064","0.0005","14.018","0.0004","18.9293","0.0005","90","","118.072","0.002","90","","4707.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cd5 O24 -","- C27 H17 Cd5 O24 -","- C108 H68 Cd20 O96 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.2691","0.2531","","","0.5548","0.5618","","","","","","1.111","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239871","12.5634","0.0003","16.1618","0.0003","17.1222","0.0003","90","","90","","90","","3476.61","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H11 Cd N2 O5 -","- C11 H9 Cd N O6 -","- C88 H72 Cd8 N8 O48 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","1.54184","CuKα","","0.0452","0.041","","","0.1205","0.137","","","","","","1.126","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239872","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239880","7.3992","0.0018","23.598","0.006","7.8738","0.0019","90","","101.882","0.008","90","","1345.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Zheng, Kang; Gao, Sijia; Chen, Meishan; Li, Ao; Wu, Weiwei; Qian, Shaosong; Pang, Qiuxiang","Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole‒pyrogallol cocrystal","CrystEngComm","2020","22","8","1404","1413","10.1039/C9CE01726G","","","0.71073","MoKα","","0.0637","0.0481","","","0.1193","0.1294","","","","","","1.034","","","","has coordinates","257438","2020-10-21","18:00:00",""
"7239884","16.2697","0.001","9.5846","0.0005","13.562","0.0009","90","","111.878","0.007","90","","1962.5","0.2","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Br2 Cl6 N2 Te -","- C6 H20 Br2 Cl6 N2 Te -","- C24 H80 Br8 Cl24 N8 Te4 -","4","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0284","0.0274","","","0.0661","0.0667","","","","","","1.051","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239885","7.7903","0.0004","8.952","0.0005","17.1961","0.001","100.706","0.005","97.205","0.005","108.223","0.005","1097.41","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C24 H32 Br4 Cl12 N4 Te2 -","2","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0465","0.0345","","","0.0688","0.074","","","","","","1.06","","","","has coordinates,has disorder","257483","2020-10-21","18:00:00",""
"7239886","9.2138","0.0002","9.2138","0.0002","25.0947","0.0008","90","","90","","90","","2130.39","0.09","140","2","140","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C48 H64 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0315","0.0271","","","0.0412","0.0422","","","","","","1.063","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239887","16.8313","0.0008","9.4395","0.0004","13.2246","0.0006","90","","109.26","0.005","90","","1983.52","0.17","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br2 Cl6 N2 Te -","- C10 H12 Br2 Cl6 N2 Te -","- C40 H48 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0287","0.024","","","0.0566","0.0582","","","","","","1.068","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239888","4.5912","0.0004","10.6146","0.0007","21.6437","0.0017","90","","94.49","0.008","90","","1051.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-methylbenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-methylphenyl)methylidene]acetohydrazide","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0665","0.054","","","0.1377","0.1463","","","","","","1.083","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239889","4.5906","0.0001","10.7866","0.0002","20.7507","0.0004","90","","94.248","0.002","90","","1024.69","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chlorobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-chlorophenyl)methylidene]acetohydrazide","","- C10 H8 Cl N3 O -","- C10 H8 Cl N3 O -","- C40 H32 Cl4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","1.54178","CuKα","","0.0388","0.0368","","","0.1087","0.1109","","","","","","1.006","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239890","4.6341","0.0001","10.7786","0.0003","21.0532","0.0008","90","","93.975","0.003","90","","1049.06","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bromobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-bromophenyl)methylidene]acetohydrazide","","- C10 H8 Br N3 O -","- C10 H8 Br N3 O -","- C40 H32 Br4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0562","0.0353","","","0.0671","0.0765","","","","","","1.026","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239891","13.328","0.003","14.307","0.003","29.016","0.006","90.48","0.005","91.743","0.005","94.143","0.005","5516","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C132.5 H118 Dy2 N12 O6 -","- C132.5 H118 Dy2 N12 O6 -","- C265 H236 Dy4 N24 O12 -","2","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.1811","0.0741","","","0.1574","0.2079","","","","","","0.941","","","","has coordinates,has disorder","247931","2020-10-21","18:00:00",""
"7239892","11.3117","0.0006","23.0212","0.0012","17.7515","0.001","90","","107.374","0.0014","90","","4411.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Dy N3 O3 -","- C57 H42 Dy N3 O3 -","- C228 H168 Dy4 N12 O12 -","4","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.09","0.0464","","","0.087","0.1032","","","","","","0.978","","","","has coordinates","247931","2020-10-21","18:00:00",""
"7239894","7.878","0.005","12.877","0.005","17.325","0.005","90","","90","","90","","1757.5","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N2 O5 Zn -","- C13 H9 N2 O5 Zn -","- C52 H36 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.5418","CuKα","","0.0516","0.0485","","","0.1366","0.1394","","","","","","1.083","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239895","11.168","0.0008","25.2917","0.0018","21.2081","0.0019","90","","96.363","0.007","90","","5953.5","0.8","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C228 H204 Cu12 N36 O72 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0392","0.035","","","0.0935","0.0971","","","","","","1.038","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239896","10.1522","0.0003","33.2337","0.0012","12.3547","0.0004","90","","90","","90","","4168.4","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10.5 H4.5 Cd N1.5 O6 -","- C10.5 H4.5 Cd N1.5 O6 -","- C84 H36 Cd8 N12 O48 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0207","0.0198","","","0.0507","0.0512","","","","","","1.015","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239897","9.0778","0.0008","9.6883","0.0008","13.9491","0.0013","76.153","0.008","73.459","0.008","84.233","0.007","1141.16","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","1","0.5","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0373","0.0305","","","0.0806","0.084","","","","","","0.898","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239898","12.3457","0.0002","11.3248","0.0002","29.2277","0.0004","90","","98.689","0.001","90","","4039.5","0.11","112.8","0.3","112.8","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Mn3 N6 O15 -","- C30 H30 Mn3 N6 O15 -","- C120 H120 Mn12 N24 O60 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.0479","0.0393","","","0.0994","0.1073","","","","","","1.028","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239899","11.203","0.005","11.394","0.005","14.313","0.005","90","0.005","90","0.005","90","0.005","1827","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 Zn -","- C12 H12 N2 O5 Zn -","- C48 H48 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.035","0.0315","","","0.074","0.0756","","","","","","1.052","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239900","11.0431","0.0006","9.7384","0.0005","12.139","0.0005","90","","90.252","0.004","90","","1305.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N2 O6 Zn -","- C10 H11 N2 O6 Zn -","- C40 H44 N8 O24 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.0509","0.0439","","","0.1191","0.1232","","","","","","1.078","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239901","11.5931","0.0006","13.5663","0.0005","27.2835","0.0013","90","","89.922","0.005","90","","4291","0.3","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.97 H24.94 Mn3 N5.66 O14 -","- C30.92 H25.48 Mn3 N5.64 O14 -","- C123.68 H101.92 Mn12 N22.56 O56 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.1233","0.0897","","","0.2513","0.3064","","","","","","1.122","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239902","7.7534","0.0003","15.3166","0.0004","8.7169","0.0004","90","","112.728","0.005","90","","954.8","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O6 -","- C19 H17 Co N3 O6 -","- C38 H34 Co2 N6 O12 -","2","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0397","0.0374","","","0.0903","0.0916","","","","","","1.034","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239903","6.6568","0.0017","11.35","0.003","16.471","0.003","90","","90","","90","","1244.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1699","0.075","","","0.1514","0.178","","","","","","1.091","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239904","10.2417","0.0004","12.1827","0.0005","14.1173","0.0006","77.388","0.001","88.119","0.001","77.243","0.001","1676.29","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 N10 O3 Zn2 -","- C35 H26 N10 O3 Zn2 -","- C70 H52 N20 O6 Zn4 -","2","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.0433","0.0284","","","0.0719","0.0773","","","","","","1.047","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239905","6.0468","0.0007","31.046","0.003","10.7876","0.0012","90","","100.317","0.004","90","","1992.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cl N4 O3 Zn -","- C22 H13 Cl N4 O3 Zn -","- C88 H52 Cl4 N16 O12 Zn4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1096","0.0544","","","0.1026","0.1217","","","","","","1.029","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239906","20.00896","0.00019","53.1688","0.0005","14.50409","0.00014","90","","88.4818","0.0008","90","","15424.8","0.3","98","2","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MMFBr","","- C92.11 H98.73 Br12 N13.5 O3.46 Pd6 -","- C92.115 H98.73 Br12 N13.5 O3.454 Pd6 -","- C368.46 H394.92 Br48 N54 O13.816 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","1.54184","CuKα","","0.1125","0.0834","","","0.2378","0.2582","","","","","","1.051","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239907","20.23","0.0009","53.5168","0.0016","14.3304","0.0003","90","","90.516","0.003","90","","15514.1","0.9","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFcore","","- C84 H84 Br3.69 Cl8.31 N12 O2 Pd6 -","- C84 H84 Br3.709 Cl8.291 N12 O2 Pd6 -","- C336 H336 Br14.836 Cl33.164 N48 O8 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.2528","0.1699","","","0.4275","0.4706","","","","","","1.088","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239908","20.0078","0.0003","53.0768","0.0009","14.5575","0.00018","90","","91.384","0.001","90","","15454.8","0.4","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFshell","","- C90 H93 Br10.86 Cl1.14 N15 O Pd6 -","- C90 H93 Br10.872 Cl1.128 N15 O Pd6 -","- C360 H372 Br43.488 Cl4.512 N60 O4 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.1524","0.109","","","0.2816","0.3017","","","","","","1.102","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239917","10.7183","0.0012","13.8384","0.0016","14.7191","0.0017","95.994","0.002","98.595","0.002","99.932","0.002","2107.2","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H28 N6 -","- C50 H28 N6 -","- C100 H56 N12 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.1473","0.0884","","","0.2545","0.2818","","","","","","0.993","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239918","9.681","0.003","10.53","0.003","12.299","0.003","65.887","0.005","70.323","0.005","85.583","0.006","1074.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 Cl2 N3 -","- C26 H16 Cl2 N3 -","- C52 H32 Cl4 N6 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.0967","0.0691","","","0.1843","0.2165","","","","","","1.048","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239919","3.934","0.0008","14.576","0.003","16.601","0.003","71.17","0.03","87.33","0.03","82.84","0.03","893.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","1","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.0301","0.0297","","","0.084","0.0844","","","","","","1.044","","","","has coordinates","248065","2020-10-21","18:00:00",""
"7239920","3.85","0.0008","14.124","0.003","26.384","0.005","93.98","0.03","91.69","0.03","92.08","0.03","1429.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H22 N4 O4.25 -","- C35 H22 N4 O4.25 -","- C70 H44 N8 O8.5 -","2","1","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","Synchrotron","","0.1383","0.1192","","","0.354","0.3645","","","","","","1.151","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239921","7.136","0.0014","12.568","0.003","14.975","0.003","90","","94.29","0.03","90","","1339.3","0.5","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.1153","0.1062","","","0.3106","0.3161","","","","","","1.282","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239937","9.9087","0.0002","12.9484","0.0003","22.1427","0.0007","90","","100.956","0.003","90","","2789.17","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54178","CuKα","","0.0595","0.0535","","","0.1396","0.1484","","","","","","1.037","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239938","56.364","0.003","15.9827","0.0009","6.1539","0.0003","90","","90","","90","","5543.7","0.5","293.52","0.16","293.52","0.16","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C320 H208 N16 -","8","2","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","x-ray","1.54184","CuKα","","0.1264","0.0887","","","0.2357","0.2664","","","","","","1.059","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239939","11.8562","0.0008","13.4286","0.0009","13.4659","0.0005","77.628","0.004","86.612","0.004","68.539","0.006","1948.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H35 Cl2 N2 -","- C53 H35 Cl2 N2 -","- C106 H70 Cl4 N4 -","2","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54184","CuKα","","0.1832","0.1254","","","0.2505","0.2946","","","","","","1.076","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239957","9.1237","0.0005","13.4076","0.0007","14.8525","0.0008","83.392","0.004","87.801","0.005","74.413","0.005","1738.36","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 I4 N6 Ni Pb -","- C30 H22 I4 N6 Ni Pb -","- C60 H44 I8 N12 Ni2 Pb2 -","2","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0938","0.0572","","","0.1036","0.1238","","","","","","1.019","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239958","29.1712","0.0002","29.1712","0.0002","29.1712","0.0002","90","","90","","90","","24823.5","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H22 I6 N6 Ni Pb2 -","- C30 H22 I6 N6 Ni Pb2 -","- C720 H528 I144 N144 Ni24 Pb48 -","24","0.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0204","0.0176","","","0.0279","0.0283","","","","","","1.029","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239959","10.1531","0.0003","19.0353","0.0006","30.5736","0.0011","90","","90.798","0.003","90","","5908.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C180 H132 I36 N36 Pb18 -","6","1.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0552","0.0338","","","0.0577","0.0638","","","","","","1.031","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239960","22.3909","0.0006","8.5089","0.0002","39.5465","0.0009","90","","90","","90","","7534.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H44 I10 N12 Ni2 Pb3 -","- C60 H44 I10 N12 Ni2 Pb3 -","- C240 H176 I40 N48 Ni8 Pb12 -","4","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0749","0.0474","","","0.1038","0.114","","","","","","1.046","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239963","27.838","0.0016","27.838","0.0016","28.8132","0.0008","90","","90","","120","","19337.4","1.7","100","2","100","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C216 H414 Br18 N72 O324 Rh24 S72 Zn24 -","6","0.5","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0669","0.0428","","","0.0952","0.1012","","","","","","0.854","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239964","19.365","0.003","19.365","0.003","52.561","0.004","90","","90","","90","","19711","5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C288 H576 N96 O452 Rh32 S120 Zn32 -","8","1","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0396","0.0386","","","0.1091","0.1099","","","","","","1.075","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239965","19.5781","0.0011","9.864","0.0006","5.5937","0.0003","90","","90","","90","","1080.25","0.11","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","rac-mephenoxalone","rac-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","1.54178","CuKα","","0.0243","0.0238","","","0.0643","0.0648","","","","","","1.044","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239966","9.7048","0.0007","5.5085","0.0004","10.4326","0.0007","90","","108.56","0.004","90","","528.71","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-mephenoxalone","(R)-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","0.71073","MoKα","","0.065","0.041","","","0.0756","0.0811","","","","","","1.018","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239967","10.5747","0.0008","17.7318","0.0016","23.316","0.002","90","","94.187","0.003","90","","4360.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N5 Na Ni2 O9 S -","- C43 H50 N5 Na Ni2 O9 S -","- C172 H200 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.131","0.0848","","","0.208","0.2429","","","","","","1.03","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239968","15.2672","0.0017","17.8828","0.0019","19.158","0.002","90","","106.963","0.003","90","","5003","0.9","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 N5 Na Ni2 O9 S -","- C48 H60 N5 Na Ni2 O9 S -","- C192 H240 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1388","0.068","","","0.1713","0.2284","","","","","","1.043","","","","has coordinates,has disorder","248391","2020-10-21","18:00:00",""
"7239969","20.524","0.003","10.4135","0.0011","22.375","0.003","90","","117.254","0.003","90","","4251.2","1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 N6 Na Ni2 O7 -","- C42 H48 N7 Na Ni2 O8 -","- C168 H192 N28 Na4 Ni8 O32 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1203","0.0696","","","0.182","0.2206","","","","","","0.946","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239970","37.44","0.03","9.494","0.008","34.86","0.03","90","","114.199","0.019","90","","11302","16","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 Cl N4 Na Ni2 O12 -","- C46 H56 Cl N4 Na Ni2 O12 -","- C368 H448 Cl8 N32 Na8 Ni16 O96 -","8","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1077","0.0745","","","0.2011","0.2254","","","","","","1.086","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239971","7.7569","0.0006","15.7881","0.0012","10.9425","0.0011","90","","91.562","0.008","90","","1339.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N16 O2 -","- C24 H22 Co N16 O2 -","- C48 H44 Co2 N32 O4 -","2","0.5","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.1142","0.0687","","","0.1284","0.1558","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239972","13.1218","0.0007","14.2515","0.0007","14.6292","0.0008","90","","102.327","0.005","90","","2672.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N18 O -","- C24 H22 Co N18 O -","- C96 H88 Co4 N72 O4 -","4","1","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1223","0.1386","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239979","12.7067","0.0006","13.0794","0.0004","21.0583","0.0008","88.535","0.003","73.381","0.004","61.238","0.004","2913.6","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","1","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0698","0.0591","","","0.1606","0.1706","","","","","","1.107","","","","has coordinates,has disorder","248476","2020-10-21","18:00:00",""
"7239980","17.051","0.015","5.459","0.004","18.215","0.016","90","","101.114","0.009","90","","1664","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Co N2 O14 S2 -","- C32 H28 Co N2 O14 S2 -","- C64 H56 Co2 N4 O28 S4 -","2","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","","0.71073","MoKα","","0.072","0.051","","","0.1159","0.1262","","","","","","1.063","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239981","13.1613","0.0002","8.5565","0.00014","27.639","0.0005","90","","94.8776","0.0014","90","","3101.28","0.09","100.01","0.11","100.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N4 O12 Zn -","- C34 H26 N4 O12 Zn -","- C136 H104 N16 O48 Zn4 -","4","1","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0378","0.0316","","","0.0869","0.0901","","","","","","1.032","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239982","13.5349","0.0008","8.6599","0.0006","26.4575","0.0017","90","","95.607","0.006","90","","3086.3","0.3","100.01","0.13","100.01","0.13","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C32 H24 Cd N2 O12 S2 -","- C32 H24 Cd N2 O12 S2 -","- C128 H96 Cd4 N8 O48 S8 -","4","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0342","0.0327","","","0.0876","0.0888","","","","","","1.075","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239987","12.4692","0.001","3.76053","0.00017","9.62324","0.00071","90","","89.87","0.015","90","","451.24","0.05","523","","523","","","","","","","","","5","P 1 2/m 1","-P 2y","10","catena-dibromo-(4-cyanopyridine)cobalt","catena-dibromo-(4-cyanopyridine)cobalt","","- C6 H4 Br2 Co N2 -","- C6 H4 Br2 Co N2 -","- C12 H8 Br4 Co2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes","CrystEngComm","2020","","","","","10.1039/C9CE02012H","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.24881","1.413","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7239988","9.2673","0.0004","22.6873","0.0009","13.9052","0.0006","90","","97.311","0.001","90","","2899.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Co N3 O4 -","- C29 H19 Co N3 O4 -","- C116 H76 Co4 N12 O16 -","4","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0541","0.0395","","","0.0964","0.1024","","","","","","1.032","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239989","7.1483","0.0005","9.8254","0.0006","13.6568","0.0007","78.512","0.005","83.808","0.005","72.957","0.006","897.44","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cd N3 O6 -","- C19 H16 Cd N3 O6 -","- C38 H32 Cd2 N6 O12 -","2","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0399","0.0316","","","0.0593","0.0644","","","","","","1.047","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239990","9.402","0.0007","10.0486","0.0007","11.9827","0.0007","91.907","0.005","101.849","0.006","108.606","0.006","1044.09","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","1","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0773","0.051","","","0.0988","0.1151","","","","","","1.04","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239991","14.6692","0.0009","15.6563","0.0008","24.8935","0.0011","90","","90.67","0.004","90","","5716.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Co2 N10 O13 -","- C62 H48 Co2 N10 O13 -","- C248 H192 Co8 N40 O52 -","4","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0768","0.0526","","","0.1494","0.1754","","","","","","0.901","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239992","9.6026","0.0005","9.6026","0.0005","23.3261","0.0012","90","","90","","120","","1862.73","0.17","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N3 -","- C6 H14 Br3 N3 -","- C36 H84 Br18 N18 -","6","1","","Morita, Hagino; Tsunashima, Ryo; Nishihara, Sadafumi; Akutagawa, Tomoyuki","Doping of Metal-free Molecular Perovskite with Hexamethylenetetramine to Create Non-centrosymmetric Defects","CrystEngComm","2020","","","","","10.1039/D0CE00173B","","","0.71073","MoKα","","0.0617","0.0489","","","0.1164","0.1266","","","","","","1.161","","","","has coordinates,has disorder","248521","2020-10-21","18:00:00",""
"7239996","39.5261","0.0003","39.5261","0.0003","16.5278","0.0001","90","","90","","120","","22362.2","0.3","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44 H22 O16.3 U0.27 Zr3 -","- C44 H22 O16.3 U0.268 Zr3 -","- C264 H132 O97.8 U1.608 Zr18 -","6","0.25","","Knapp, Julia G.; Zhang, Xuan; Elkin, Tatyana; Wolfsberg, Laura E.; Hanna, Sylvia L.; Son, Florencia A.; Scott, Brian L.; Farha, Omar K.","Single crystal structure and photocatalytic behavior of grafted uranyl on the Zr-node of a pyrene-based metal‒organic framework","CrystEngComm","2020","","","","","10.1039/C9CE02034A","","x-ray","1.54184","CuKα","","0.0591","0.0542","","","0.1863","0.1916","","","","","","1.098","","","","has coordinates,has disorder","248552","2020-10-21","18:00:00",""
"7240004","4.8425","0.0007","24.45","0.004","5.7818","0.0009","90","","99.096","0.005","90","","675.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.1125","0.0675","","","0.121","0.1328","","","","","","1.125","","","","has coordinates,has disorder","257482","2020-10-21","18:00:00",""
"7240005","8.2627","0.0006","8.335","0.0006","8.7473","0.0006","91.177","0.002","117.067","0.002","97.41","0.003","529.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 F N O3 S -","- C10 H10 F N O3 S -","- C20 H20 F2 N2 O6 S2 -","2","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0386","0.0342","","","0.085","0.0874","","","","","","1.084","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240006","12.8358","0.0007","6.172","0.0003","15.5627","0.0008","90","","96.692","0.002","90","","1224.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 O4 -","- C14 H9 F N2 O4 -","- C56 H36 F4 N8 O16 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0674","0.047","","","0.1074","0.1166","","","","","","1.065","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240007","3.7104","0.0004","12.1407","0.0015","14.766","0.0015","90","","93.397","0.004","90","","663.99","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.106","0.0599","","","0.1089","0.1236","","","","","","1.058","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240008","17.1497","0.0014","7.3395","0.0006","15.4954","0.0012","90","","109.941","0.002","90","","1833.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 N6 O2 -","- C17 H16 Cl2 N6 O2 -","- C68 H64 Cl8 N24 O8 -","4","1","","Kuang, Wenjie; Ji, Shaochang; Wei , Yufeng; Zhang, Jinyan; Lan, Ping","A New 1:1 Cocrystal of Lamotrigine and 1,2,3,6-4hydrophthalimide:Discovery,Characterization, and Construction of Ternary Phase Diagrams","CrystEngComm","2020","","","","","10.1039/D0CE00178C","","","0.71073","MoKα","","0.0833","0.0493","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","248635","2020-10-21","18:00:00",""
"7240009","9.3043","0.0002","15.9441","0.0003","17.4454","0.0004","90","","94.552","0.002","90","","2579.84","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cd Cl2 N4 O4 -","- C26 H20 Cd Cl2 N4 O4 -","- C104 H80 Cd4 Cl8 N16 O16 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0457","0.03","","","0.069","0.0761","","","","","","1.023","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240010","13.1061","0.0005","16.0142","0.0005","17.5495","0.0007","90","","97.736","0.004","90","","3649.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd0.5 Cl N3 O2 -","- C20 H17 Cd0.5 Cl N3 O2 -","- C160 H136 Cd4 Cl8 N24 O16 -","8","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.056","0.0458","","","0.1295","0.1374","","","","","","1.048","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240011","14.9929","0.0003","21.3309","0.0004","16.5227","0.0002","90","","98.64","0.002","90","","5224.19","0.16","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H44 Cd2 Cl4 N8 O8 -","- C54 H44 Cd2 Cl4 N8 O8 -","- C216 H176 Cd8 Cl16 N32 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.077","0.0472","","","0.1192","0.1347","","","","","","1.031","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240012","9.6284","0.0006","10.2786","0.0004","18.7313","0.0009","91.228","0.004","101.525","0.004","90.458","0.004","1815.83","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36.7 Cd Cl2 N6 O6.85 -","- C38 H30 Cd Cl2 N6 O4 -","- C76 H60 Cd2 Cl4 N12 O8 -","2","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0997","0.0735","","","0.1846","0.2002","","","","","","1.036","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240013","18.4777","0.0004","9.4892","0.0002","26.8332","0.0004","90","","91.811","0.002","90","","4702.55","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37.5 Cd2 Cl4 N6 O11.75 -","- C45 H30 Cd2 Cl4 N6 O8 -","- C180 H120 Cd8 Cl16 N24 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0593","0.0363","","","0.0796","0.0875","","","","","","0.989","","","","has coordinates,has disorder","248636","2020-10-21","18:00:00",""
"7240014","8.8566","0.0005","9.7807","0.0006","10.05","0.0006","68.906","0.001","84.726","0.001","87.008","0.001","808.62","0.08","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0355","0.0321","","","0.0965","0.1087","","","","","","1.152","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240015","9.0976","0.0006","9.225","0.0006","13.298","0.0009","76.768","0.002","80.206","0.002","62.475","0.001","960.76","0.11","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0367","0.0327","","","0.098","0.105","","","","","","1.11","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240016","8.8697","0.0005","9.7658","0.0006","10.0805","0.0006","69.141","0.001","84.882","0.001","86.982","0.002","812.48","0.08","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Co0.5 N O7 -","- C17 H17 Co0.5 N O7 -","- C34 H34 Co N2 O14 -","2","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0479","0.0456","","","0.128","0.1298","","","","","","1.045","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240017","9.1142","0.0005","14.0364","0.0006","7.8828","0.0004","90","","100.883","0.004","90","","990.31","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O2 S2 -","- C16 H22 N4 Ni O2 S2 -","- C32 H44 N8 Ni2 O4 S4 -","2","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0621","0.0583","","","0.1526","0.1566","","","","","","1.055","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240018","16.8134","0.0006","14.9609","0.0003","9.801","","90","","114.894","0.002","90","","2236.32","0.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl2 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0296","0.0251","","","0.0642","0.0658","","","","","","1.077","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240019","9.3096","0.0019","10.516","0.002","11.057","0.002","68.06","0.03","66.94","0.03","69.49","0.03","897.1","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.032","0.0269","","","0.0727","0.0743","","","","","","1.076","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240020","10.103","0.0006","11.215","0.0006","18.545","0.0009","106.44","0.004","94.39","0.004","111.05","0.004","1843.2","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","2","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0435","0.0341","","","0.0897","0.0928","","","","","","1.077","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240021","14.1317","0.0014","5.8342","0.0006","14.5513","0.0014","90","","90","","90","","1199.7","0.2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H26 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Sun, Chen; Yue, Yun-Di; Zhang, Wei-Feng; Sun, Xing-Yu; Du, Yan; Pan, Hong-Mei; Ma, Yue-Yu; He, Yuan-Chun; Li, Meng-Ting; Jing, Zhi-Hong","[DMEDA]PbCl4: a one-dimensional organic lead halide perovskite with efficient yellow emission","CrystEngComm","2020","22","8","1480","1486","10.1039/C9CE01816F","","","0.71073","MoKα","","0.0179","0.0172","","","0.0469","0.0472","","","","","","1.087","","","","has coordinates","257441","2020-10-21","18:00:00",""
"7240022","6.467","0.007","7.524","0.008","16.983","0.018","90","","90","","90","","826.4","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0458","0.0387","","","0.1008","0.1055","","","","","","0.953","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240023","7.607","0.006","10.131","0.007","18.949","0.013","86.816","0.011","79.942","0.011","78.363","0.011","1408","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","1","0.5","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.107","0.085","","","0.2511","0.2776","","","","","","1.058","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240024","7.337","0.012","8.408","0.014","9.584","0.016","106.7","0.02","98.23","0.03","107.36","0.02","523.3","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cu I N4 -","- C9 H8 Cu I N4 -","- C18 H16 Cu2 I2 N8 -","2","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0666","0.0596","","","0.152","0.1588","","","","","","1.009","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240025","7.6799","0.0003","10.5256","0.0005","10.9153","0.0005","62.404","0.001","89.158","0.001","74.817","0.001","748.78","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","1","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0289","0.0274","","","0.0745","0.0753","","","","","","1.099","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240026","11.428","0.002","12.41","0.003","12.769","0.003","61.507","0.002","88.882","0.004","76.364","0.004","1537.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N4 Ni O11 S -","- C30 H32 N4 Ni O11 S -","- C60 H64 N8 Ni2 O22 S2 -","2","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0699","0.0519","","","0.1491","0.1574","","","","","","1.009","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240027","34.36","0.007","9.0513","0.0016","19.787","0.003","90","","107.545","0.007","90","","5867.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 N8 Ni2 O17 S2 -","- C60 H54 N8 Ni2 O17 S2 -","- C240 H216 N32 Ni8 O68 S8 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0541","0.0363","","","0.0842","0.0963","","","","","","1.029","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240028","16.5083","0.0007","9.8738","0.0004","19.9446","0.0008","90","","107.595","0.001","90","","3098.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 Ni O8 -","- C34 H32 N4 Ni O8 -","- C136 H128 N16 Ni4 O32 -","4","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0636","0.0419","","","0.1077","0.1206","","","","","","1.017","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240029","21.551","0.002","7.2511","0.0007","20.83","0.0018","90","","117.421","0.001","90","","2889.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 Ni O9 -","- C32 H28 N4 Ni O9 -","- C128 H112 N16 Ni4 O36 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0729","0.0715","","","0.1717","0.1723","","","","","","1.048","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240030","15.6642","0.0007","14.0331","0.0007","26.9234","0.0013","90","","92.866","0.001","90","","5910.8","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 Cu2 N4 O9 -","- C33 H17 Cu2 N4 O9 -","- C264 H136 Cu16 N32 O72 -","8","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0748","0.0458","","","0.1116","0.1259","","","","","","1.001","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240031","7.6768","0.0006","22.9016","0.0018","15.1581","0.0012","90","","94.189","0.002","90","","2657.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 Co N4 O8 -","- C33 H20 Co N4 O8 -","- C132 H80 Co4 N16 O32 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1017","0.0479","","","0.0997","0.1172","","","","","","1.008","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240032","31.9886","0.0019","14.0007","0.0007","15.8473","0.0008","90","","98.91","0.002","90","","7011.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 N12 Ni3 O22 -","- C72 H54 N12 Ni3 O22 -","- C288 H216 N48 Ni12 O88 -","4","0.5","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0775","0.0463","","","0.118","0.134","","","","","","1.002","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240033","9.747","0.0005","11.5054","0.0006","12.5424","0.0007","99.091","0.001","90.462","0.001","109.098","0.001","1309.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N4 O9 Zn -","- C29 H20 N4 O9 Zn -","- C58 H40 N8 O18 Zn2 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0513","0.0357","","","0.0768","0.0828","","","","","","1.024","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240034","9.867","0.0005","13.5792","0.0006","19.1123","0.0009","90","","94.495","0.001","90","","2552.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cu N4 O9 -","- C29 H20 Cu N4 O9 -","- C116 H80 Cu4 N16 O36 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0441","0.0318","","","0.0819","0.0878","","","","","","1.003","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240035","9.6652","0.0006","11.526","0.0007","12.5516","0.0008","80.708","0.001","89.602","0.001","70.774","0.001","1301.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Co N4 O9 -","- C29 H20 Co N4 O9 -","- C58 H40 Co2 N8 O18 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0378","0.0312","","","0.0744","0.0777","","","","","","1.035","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240036","15.7534","0.0008","32.9347","0.0016","15.7929","0.0008","90","","111.776","0.001","90","","7609.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H50 N12 Ni3 O17 -","- C84 H50 N12 Ni3 O17 -","- C336 H200 N48 Ni12 O68 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1339","0.0629","","","0.114","0.1338","","","","","","1.017","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240037","7.1646","0.0004","8.5039","0.0011","10.0021","0.0011","104.049","0.01","97.995","0.006","96.617","0.007","578.34","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0814","0.0481","","","0.1","0.1175","","","","","","1.079","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240038","7.3738","0.0011","7.4503","0.0014","8.1802","0.0008","76.479","0.013","66.792","0.008","84.39","0.02","401.58","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","1","0.5","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0525","0.0364","","","0.0836","0.0924","","","","","","1.137","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240039","7.272","0.0003","9.1631","0.0003","10.5276","0.0012","97.273","0.006","110.034","0.006","111.668","0.003","586.18","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0644","0.0461","","","0.114","0.1282","","","","","","1.106","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240040","7.3226","0.0011","9.2359","0.0005","18.444","0.002","100.611","0.006","90.051","0.012","101.428","0.011","1200.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Na2 O10 -","- C8 H12 Na2 O10 -","- C32 H48 Na8 O40 -","4","2","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.1197","0.0555","","","0.1248","0.1593","","","","","","1.059","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240054","6.3212","0.0009","6.3212","0.0009","53.448","0.011","90","","90","","120","","1849.5","0.5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H24 N2 O3 -","- C9 H24 N2 O3 -","- C54 H144 N12 O18 -","6","0.166667","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0359","0.0331","","","0.0922","0.0946","","","","","","1.118","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240055","5.6697","0.0004","10.5672","0.0006","15.5754","0.001","109.348","0.001","96.606","0.001","91.607","0.001","872.44","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0389","0.0359","","","0.0885","0.0907","","","","","","1.059","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240056","5.7726","0.0012","7.9815","0.0016","16.594","0.003","99.36","0.03","99.28","0.03","97.44","0.03","734.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0553","0.0403","","","0.0898","0.0971","","","","","","1.04","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240057","25.731","0.005","8.2594","0.0017","12.118","0.002","90","","90","","90","","2575.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N3 O4 -","- C28 H31 N3 O4 -","- C112 H124 N12 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0473","0.0415","","","0.0996","0.1028","","","","","","1.068","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240058","7.1918","0.0014","8.757","0.0018","18.766","0.004","89.75","0.03","79.83","0.03","72.07","0.03","1105.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1152","0.0647","","","0.1511","0.1786","","","","","","1.023","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240059","9.531","0.0019","8.303","0.0017","9.885","0.002","90","","111.82","0.03","90","","726.2","0.3","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.05","0.0392","","","0.081","0.0862","","","","","","0.992","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240060","8.3469","0.0017","12.268","0.003","20.595","0.004","84.66","0.03","86.58","0.03","76.63","0.03","2041.3","0.8","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C44 H48 N2 O12 -","- C44 H48 N2 O12 -","- C88 H96 N4 O24 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1012","0.0768","","","0.1977","0.2177","","","","","","1.019","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7240061","11.773","0.002","8.493","0.0017","22.318","0.005","90","","96.22","0.03","90","","2218.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0822","0.0545","","","0.1303","0.1464","","","","","","1.025","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240062","22.906","0.005","5.7441","0.0011","15.376","0.003","90","","100.98","0.03","90","","1986.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1345","0.0782","","","0.1955","0.2287","","","","","","1.035","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240063","7.0626","0.0014","8.7704","0.0018","18.63","0.004","90.98","0.03","100.42","0.03","107.25","0.03","1080.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0683","0.0513","","","0.1213","0.1313","","","","","","1.057","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240064","12.222","0.002","14.926","0.003","22.984","0.005","90","","103.42","0.03","90","","4078.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N2 O12 -","- C44 H48 N2 O12 -","- C176 H192 N8 O48 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1101","0.0696","","","0.1655","0.1906","","","","","","1.03","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240077","11.7653","0.0006","15.9132","0.0008","6.9886","0.0003","90","","116.846","0.005","90","","1167.41","0.11","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 K2 N12 O16 Zn -","- C12 H16 K2 N12 O16 Zn -","- C24 H32 K4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0187","0.018","","","0.0567","0.0569","","","","","","1.17","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240078","10.6404","0.0006","16.1413","0.001","7.0699","0.0004","90","","99.247","0.006","90","","1198.48","0.12","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cd K2 N12 O16 -","- C12 H16 Cd K2 N12 O16 -","- C24 H32 Cd2 K4 N24 O32 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0198","0.0197","","","0.0514","0.0515","","","","","","1.113","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240079","11.3093","0.0009","16.4363","0.001","7.1029","0.0005","90","","104.568","0.008","90","","1277.86","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cs2 N12 O16 Zn -","- C12 H16 Cs2 N12 O16 Zn -","- C24 H32 Cs4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0332","0.0312","","","0.0827","0.084","","","","","","1.075","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240080","19.824","0.007","11.339","0.004","21.851","0.008","90","","102.489","0.005","90","","4796","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Br4 Co N8 O4 -","- C52 H36 Br4 Co N8 O4 -","- C208 H144 Br16 Co4 N32 O16 -","4","0.5","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0543","0.0326","","","0.0686","0.0748","","","","","","1","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240081","11.7985","0.0004","12.4546","0.0004","14.7712","0.0005","69.939","0.003","77.41","0.002","71.947","0.003","1923.28","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Br4 Co N6 O4 -","- C41 H28 Br4 Co N6 O4 -","- C82 H56 Br8 Co2 N12 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.1021","0.064","","","0.1327","0.148","","","","","","1.064","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240082","11.0843","0.0007","13.9824","0.0009","17.4272","0.001","104.024","0.001","99.077","0.002","112.104","0.002","2332.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 Br4 Co N8 O4 -","- C52 H37 Br4 Co N8 O4 -","- C104 H74 Br8 Co2 N16 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0564","0.045","","","0.1286","0.1367","","","","","","0.978","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240083","13.846","0.003","15.903","0.004","15.702","0.004","90","","95.968","0.005","90","","3438.7","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 N4 O16 Tb -","- C36 H33 N4 O16 Tb -","- C144 H132 N16 O64 Tb4 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0215","0.021","","","0.0513","0.0517","","","","","","1.071","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240084","13.86","0.004","15.922","0.004","15.717","0.007","90","","95.973","0.005","90","","3450","2","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Gd N4 O16 -","- C36 H33 Gd N4 O16 -","- C144 H132 Gd4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0245","0.0235","","","0.0548","0.0555","","","","","","1.067","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240085","13.874","0.003","15.916","0.004","15.76","0.004","90","","96.095","0.004","90","","3460.4","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Eu N4 O16 -","- C36 H31.5 Eu N4 O16 -","- C144 H126 Eu4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0208","0.0201","","","0.0501","0.0506","","","","","","1.116","","","","has coordinates,has disorder","249165","2020-10-21","18:00:00",""
"7240086","17.2085","0.0006","12.9123","0.0005","7.4057","0.0002","90","","98.71","0.002","90","","1626.58","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.0218","0.0172","","","0.0384","0.0395","","","","","","1.075","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240087","10.4298","0.0016","9.44","0.0012","15.177","0.0018","90","","105.911","0.015","90","","1437","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl N4 O5 Pb -","- C12 H9 Cl N4 O5 Pb -","- C48 H36 Cl4 N16 O20 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.1149","0.0732","","","0.1579","0.1901","","","","","","0.996","","","","has coordinates,has disorder","249166","2020-10-21","18:00:00",""
"7240088","7.0192","0.0004","16.1126","0.0007","15.0998","0.0008","90","","102.955","0.004","90","","1664.28","0.15","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H24 N12 O8 Pb2 S2 -","- C28 H24 N12 O8 Pb2 S2 -","- C56 H48 N24 O16 Pb4 S4 -","2","0.5","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.045","0.0423","","","0.1043","0.1055","","","","","","1.059","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240107","7.552","0.003","22.128","0.008","7.398","0.003","90","","91.831","0.011","90","","1235.7","0.8","298","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl8 Cu2 N4 -","- C14 H22 Cl8 Cu2 N4 -","- C28 H44 Cl16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0714","0.0669","","","0.1644","0.1673","","","","","","1.231","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240108","7.9785","0.0005","10.715","0.0007","10.8206","0.0007","63.205","0.002","73.58","0.002","87.892","0.002","787.59","0.09","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0391","0.036","","","0.083","0.0859","","","","","","1.183","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240109","7.458","0.005","9.586","0.006","9.603","0.006","99.83","0.018","95.106","0.018","103.695","0.019","651.2","0.7","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1155","0.0966","","","0.2295","0.2491","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240110","7.7826","0.0018","9.85","0.002","10.106","0.002","101.146","0.006","94.713","0.006","105.848","0.006","723.7","0.3","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.067","0.0656","","","0.1968","0.1989","","","","","","1.131","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240111","12.2223","0.0006","8.3549","0.0004","13.5644","0.0007","90","","105.261","0.002","90","","1336.3","0.12","295","2","295.07","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H26 Cl8 N4 O2 Zn2 -","- C28 H52 Cl16 N8 O4 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0388","0.0356","","","0.0941","0.0968","","","","","","1.102","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240112","10.2666","0.0006","9.5232","0.0006","13.0868","0.0008","90","","106.857","0.002","90","","1224.53","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl8 N4 Zn2 -","- C14 H22 Cl8 N4 Zn2 -","- C28 H44 Cl16 N8 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71076","MoKα","","0.0287","0.0268","","","0.0648","0.0662","","","","","","1.121","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240113","8.0705","0.0006","20.8072","0.0016","7.8346","0.0006","90","","93.907","0.003","90","","1312.56","0.17","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 I4 N4 O2 -","- C16 H30 I4 N4 O2 -","- C32 H60 I8 N8 O4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0416","0.0409","","","0.0943","0.0947","","","","","","1.2","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240114","7.7157","0.0013","22.709","0.004","7.5681","0.0013","90","","90.842","0.007","90","","1325.9","0.4","273","2","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Br8 Cu2 N4 -","- C14 H22 Br8 Cu2 N4 -","- C28 H44 Br16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0744","0.0662","","","0.1533","0.1578","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240115","7.7044","0.0009","10.1649","0.0013","10.5702","0.0013","62.697","0.004","74.1","0.005","85.369","0.005","706.46","0.15","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1191","0.1129","","","0.2664","0.2697","","","","","","1.19","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240116","12.4886","0.0007","14.0071","0.0006","10.8593","0.0006","90","","114","0.006","90","","1735.38","0.18","287.86","0.1","287.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N O11 Tb -","- C14 H16 N O11 Tb -","- C56 H64 N4 O44 Tb4 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0407","0.0349","","","0.0772","0.0805","","","","","","1.048","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240117","12.4793","0.0008","13.8564","0.0006","10.7865","0.0006","90","","113.602","0.007","90","","1709.16","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Eu N O11 -","- C14 H16 Eu N O11 -","- C56 H64 Eu4 N4 O44 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.0989","0.1024","","","","","","1.073","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240123","7.177","0.001","13.26","0.001","9.786","0.001","90","","100.09","0.01","90","","916.9","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","La(IO3)3.H2O","","","- I3 La O10 -","- I3 La O10 -","- I12 La4 O40 -","4","1","","Regny, Sylvain; Suffren, Yan; Leynaud, Olivier; Gautier-Luneau, Isabelle; Dantelle, Geraldine","Evidence of reaction intermediates in microwave-assisted synthesis of SHG active α La(IO3)3 nanocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00156B","","x-ray","0.56087","AgKα","","0.0301","0.0239","","","0.0417","0.0436","","","","","","1.207","","","","has coordinates","249382","2020-10-21","18:00:00",""
"7240124","11.6301","0.0011","13.366","0.0012","15.5869","0.0013","98.161","0.001","101.089","0.002","101.148","0.002","2292.1","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1331","0.0815","","","0.2058","0.2284","","","","","","0.923","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240125","14.108","0.0013","15.0509","0.0014","16.3421","0.0015","97.136","0.001","108.793","0.002","104.501","0.002","3099.9","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1372","0.0789","","","0.1943","0.2223","","","","","","0.973","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240129","10.1207","0.0004","10.7427","0.0005","27.9069","0.0012","99.871","0.004","90.774","0.004","117.159","0.005","2645","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H89 N3 O13.5 V3 -","- C47 H89 N3 O13.5 V3 -","- C94 H178 N6 O27 V6 -","2","1","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","x-ray","0.71073","MoKα","","0.0768","0.0511","","","0.09","0.0995","","","","","","1.036","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240130","21.392","0.0012","10.9779","0.0007","19.1098","0.0011","90","","105.252","0.002","90","","4329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H132 N6 O23 V6 -","- C74 H132 N6 O23 V6 -","- C148 H264 N12 O46 V12 -","2","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.2423","0.1347","","","0.2015","0.2445","","","","","","1.113","","","","has coordinates","249394","2020-10-21","18:00:00",""
"7240131","13.709","0.002","13.919","0.002","19.53","0.003","97.532","0.002","93.12","0.003","99.117","0.002","3637","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","1","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.1008","0.0627","","","0.1589","0.1881","","","","","","1.001","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240132","15.3693","0.0012","15.3693","0.0012","10.1723","0.0008","90","","90","","90","","2402.9","0.3","173","2","173","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C32 H40 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","1","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0529","0.0492","","","0.1479","0.1535","","","","","","1.102","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240133","18.1416","0.0015","18.1416","0.0015","9.9851","0.0007","90","","90","","90","","3286.3","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H16 B12 Cu N8 -","- C20 H16 B12 Cu N8 -","- C40 H32 B24 Cu2 N16 -","2","0.25","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0971","0.0734","","","0.1931","0.2107","","","","","","0.983","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240134","28.36","0.003","16.0571","0.0015","20.1217","0.0019","90","","134.052","0.004","90","","6585.5","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B12 Cu N8 -","- C20 H28 B12 Cu N8 -","- C160 H224 B96 Cu8 N64 -","8","1","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.15","0.1116","","","0.291","0.3138","","","","","","1.078","","","","has coordinates","249423","2020-10-21","18:00:00",""
"7240135","13.6129","0.0006","13.6129","0.0006","10.061","0.0006","90","","90","","90","","1864.41","0.16","253","2","253","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C6 H7 B3 Cu0.25 N -","- C6 H7 B3 Cu0.25 N -","- C24 H28 B12 Cu N4 -","4","0.5","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0477","0.0467","","","0.1596","0.1607","","","","","","1.013","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240136","15.6766","0.001","15.6766","0.001","20.1231","0.0016","90","","90","","90","","4945.4","0.6","193","2","193","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C20 H28 B12 Cu N4 -","- C20 H28.0008 B12.0008 Cu N4 -","- C80 H112.003 B48.0032 Cu4 N16 -","4","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0603","0.0492","","","0.1513","0.1597","","","","","","0.988","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240137","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240138","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240139","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240140","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240141","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240142","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240145","18.753","0.002","17.8461","0.0013","15.4856","0.0015","90","","115.938","0.013","90","","4660.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H76 Cu2 Fe N14 O10 -","- C26 H76 Cu2 Fe N14 O10 -","- C104 H304 Cu8 Fe4 N56 O40 -","4","0.5","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1008","0.0739","","","0.2057","0.2333","","","","","","1.051","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240146","11.7106","0.0014","14.7097","0.0015","16.8351","0.0019","101.737","0.009","110.012","0.011","104.303","0.01","2504.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H47.5 Cu Fe N12.5 O3 -","- C33.5 H47 Cu Fe N12.5 O3 -","- C67 H94 Cu2 Fe2 N25 O6 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1334","0.0857","","","0.2593","0.3082","","","","","","0.959","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240147","9.4783","0.0013","16.388","0.003","16.592","0.002","111.53","0.014","101.926","0.012","106.101","0.013","2161.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 Mo N17 O2 -","- C30 H63 Cu2 Mo N17 O2 -","- C60 H126 Cu4 Mo2 N34 O4 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0667","0.047","","","0.0987","0.1089","","","","","","1.025","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240148","9.1335","0.0014","13.1615","0.0008","16.0651","0.0019","109.386","0.008","99.006","0.011","98.3","0.009","1758.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cr Cu1.5 N12 O4 -","- C20 H48 Cr Cu1.5 N12 O4 -","- C40 H96 Cr2 Cu3 N24 O8 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0954","0.0743","","","0.2146","0.239","","","","","","1.058","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240149","9.4179","0.0004","16.2543","0.0009","16.2716","0.0008","110.907","0.005","101.897","0.004","106.357","0.004","2098","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 N17 O2 W -","- C30 H63 Cu2 N17 O2 W -","- C60 H126 Cu4 N34 O4 W2 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","1.54178","CuKα","","0.0356","0.0333","","","0.0867","0.0891","","","","","","1.055","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240150","12.6416","0.001","14.7984","0.0014","38.007","0.003","90","","90.598","0.006","90","","7109.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C240 H336 Cl8 Cu8 Fe8 N80 O56 -","4","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1574","0.0918","","","0.2141","0.267","","","","","","1.03","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240151","7.02521","0.00013","19.6681","0.0004","12.9331","0.0002","90","","90.7338","0.0007","90","","1786.85","0.06","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Ciprofloxacin Hydrochloride 1.43 Hydrate","Ciprofloxacin Hydrochloride 1.43 Hydrate","","- C17 H21.86 Cl F N3 O4.43 -","- C17 H21.86 Cl F N3 O4.43 -","- C68 H87.44 Cl4 F4 N12 O17.72 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","","1.54186","CuKα","","0.0413","0.0388","","","0.104","0.1068","","","","","","1.09","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240152","12.4523","0.0002","6.91819","0.00013","19.4137","0.0004","90","","101.294","0.0009","90","","1640.05","0.05","173","2","173","2","","","101.3","","","","","6","P 1 21/c 1","-P 2ybc","14","Ciprofloxacin Hydrochloride Anhydrous Form II","Ciprofloxacin Hydrochloride Anhydrous Form II","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C68 H76 Cl4 F4 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","x-ray","1.54186","CuKα","","0.0624","0.0497","","","0.1284","0.1396","","","","","","1.141","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240153","18.1041","0.0006","7.3009","0.00017","26.2525","0.001","90","","90","","90","","3469.96","0.19","298","","298","","","","101.3","","","","","6","P b c a","-P 2ac 2ab","61","Ciprfloxacin Hydrochloride Anhydrous Form I","Ciprfloxacin Hydrochloride Anhydrous Form I","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C136 H152 Cl8 F8 N24 O24 -","8","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","powder diffraction","x-ray","1.19621","synchrotron","","","","","","","","0.08626","","1.74","","","","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240156","21.778","0.005","15.214","0.003","19.916","0.005","90","","103.5","0.004","90","","6416","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Co N6 O6 -","- C33 H24 Co N6 O6 -","- C264 H192 Co8 N48 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.1025","0.0627","","","0.1835","0.2216","","","","","","1.069","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240157","21.683","0.003","15.164","0.003","19.852","0.003","90","","102.807","0.004","90","","6365","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 Ni O6 -","- C33 H24 N6 Ni O6 -","- C264 H192 N48 Ni8 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0727","0.0513","","","0.1501","0.1619","","","","","","1.014","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240158","21.622","0.002","15.2587","0.0017","19.882","0.002","90","","104.271","0.002","90","","6357.1","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 O6 Zn -","- C33 H24 N6 O6 Zn -","- C264 H192 N48 O48 Zn8 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0923","0.0685","","","0.2126","0.2403","","","","","","0.833","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240159","22.2681","0.0009","14.5955","0.0006","20.1069","0.0008","90","","101.719","0.002","90","","6398.8","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl Co N4 O3 -","- C38 H30 Cl Co N4 O3 -","- C304 H240 Cl8 Co8 N32 O24 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","1.34139","GaKα","","0.0541","0.0438","","","0.1144","0.1216","","","","","","1.046","","","","has coordinates","249644","2020-10-21","18:00:00",""
"7240168","8.5063","0.0001","25.6914","0.0004","24.6665","0.0003","90","","96.623","0.001","90","","5354.61","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 F18 N3 O3 P3 -","- C42 H57 Br3 F18 N3 O3 P3 -","- C168 H228 Br12 F72 N12 O12 P12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.1054","0.0971","","","0.2696","0.2784","","","","","","1.053","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240169","16.8999","0.0001","16.8999","0.0001","10.9253","0.0001","90","","90","","120","","2702.29","0.03","150","","150","","","","","","","","synthesized","5","P -3","-P 3","147","","","","- C44 H60 I6 N4 O3 -","- C44 H60 I6 N4 O3 -","- C88 H120 I12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","1.54184","CuKα","","0.0565","0.0555","","0.1516","0.1507","0.1516","","","","","","1.1564","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240170","16.5773","0.0001","16.5773","0.0001","10.4913","0.0001","90","","90","","120","","2496.82","0.03","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C44 H60 Br6 N4 O3 -","- C44 H59.9997 Br6 N4 O3 -","- C88 H119.999 Br12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.0431","0.0406","","","0.1358","0.139","","","","","","1.192","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240171","16.639","0.002","16.639","0.002","10.57","0.002","90","","90","","120","","2534.3","0.6","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C44 H60 Br3 I3 N4 O3 -","- C44 H60 Br3 I3 N4 O3 -","- C88 H120 Br6 I6 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.0441","0.0427","","","0.1059","0.107","","","","","","1.0414","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240172","8.544","0.0001","23.43","0.0002","27.3585","0.0003","90","","97.054","0.001","90","","5435.33","0.1","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C172 H244 Cl4 F48 I12 N12 O16 P8 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.064","0.0598","","","0.1599","0.1649","","","","","","1.03","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240173","24.671","0.005","8.876","0.0018","23.946","0.005","90","","101.26","0.03","90","","5142.8","1.9","100","","100","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C168 H228 Br6 F36 I12 N12 O12 P6 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.1829","0.0812","","","0.2165","0.2833","","","","","","1.0269","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240174","14.104","0.005","25.266","0.009","14.735","0.004","90","","115.28","0.019","90","","4748","3","100","","100","","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Br3 Cl3 N3 O5 -","- C42 H61 Br3 Cl3 N3 O5 -","- C168 H244 Br12 Cl12 N12 O20 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.2214","0.126","","0.2648","0.2148","0.2513","","","","","","1.021","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240175","14.822","0.003","20.352","0.004","17.306","0.004","90","","112.82","0.03","90","","4812","2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 I3 N3 O3 -","- C42 H57 Br3 I3 N3 O3 -","- C168 H228 Br12 I12 N12 O12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","MoKα","","0.0595","0.0513","","","0.1392","0.1451","","","","","","1.0291","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240176","12.04747","0.00016","12.04747","0.00016","12.04747","0.00016","90","","90","","90","","1748.59","0.04","298","2","298","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H9.5001 Fe N0.75 O6.25005 -","- C36 H76.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.05","0.0373","","","0.1001","0.1066","","","","","","1.104","","","","has coordinates,has disorder","249690","2020-10-21","18:00:00",""
"7240177","12.0219","0.0008","12.0219","0.0008","12.0219","0.0008","90","","90","","90","","1737.5","0.2","240","0.4","240","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0429","0.0361","","","0.0895","0.0961","","","","","","1.078","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240178","11.9923","0.0003","11.9923","0.0003","11.9923","0.0003","90","","90","","90","","1724.68","0.07","80","0.9","80","0.9","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0499","0.0437","","","0.1029","0.1051","","","","","","1.234","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240179","12.0296","0.0007","12.0296","0.0007","12.0296","0.0007","90","","90","","90","","1740.82","0.18","260","0.6","260","0.6","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.046","0.0382","","","0.0953","0.104","","","","","","1.161","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240180","12.0082","0.0007","12.0082","0.0007","12.0082","0.0007","90","","90","","90","","1731.54","0.17","180","0.3","180","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0413","0.0348","","","0.0849","0.0883","","","","","","1.215","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240181","12.0051","0.0006","12.0051","0.0006","12.0051","0.0006","90","","90","","90","","1730.2","0.15","160","0.3","160","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0432","0.0368","","","0.092","0.0977","","","","","","1.238","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240182","12.035","0.0006","12.035","0.0006","12.035","0.0006","90","","90","","90","","1743.16","0.15","300","0.7","300","0.7","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0744","0.0567","","","0.1784","0.2185","","","","","","1.177","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240183","12.0077","0.0003","12.0077","0.0003","12.0077","0.0003","90","","90","","90","","1731.33","0.07","200","0.4","200","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0358","0.0335","","","0.0844","0.0855","","","","","","1.205","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240184","11.9986","0.0007","11.9986","0.0007","11.9986","0.0007","90","","90","","90","","1727.4","0.17","120","0.3","120","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0441","0.0366","","","0.086","0.0917","","","","","","1.231","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240185","12.0121","0.0009","12.0121","0.0009","12.0121","0.0009","90","","90","","90","","1733.2","0.2","220","0.4","220","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0416","0.0358","","","0.0891","0.0933","","","","","","1.106","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240186","12.0016","0.0007","12.0016","0.0007","12.0016","0.0007","90","","90","","90","","1728.69","0.17","140","0.3","140","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0422","0.0367","","","0.086","0.0893","","","","","","1.183","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240193","5.7544","0.0009","5.7537","0.0005","12.7881","0.0011","90","","89.93","0.03","90","","423.4","0.08","298.15","","298.15","","","","","","","","mechanochemical synthesis","5","C 1 2 1","C 2y","5","'strontium fluorine acetate","","strontium fluorine acetate","- C4 H6 F O4 Sr2 -","- C4 H6 F O4 Sr2 -","- C8 H12 F2 O8 Sr4 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1Kα2","","","","","","","","","1.656","12.562","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240194","12.757","0.002","4.129","0.0008","4.1284","0.0009","90","","90.058","0.016","90","","217.46","0.07","303","","303","","","","","","","","mechanochemical synthesis","5","P 1 21 1","P 2yb","4","lead fluorine acetate","","lead fluorine acetate","- C2 H3 F O2 Pb -","- C2 H3 F O2 Pb -","- C4 H6 F2 O4 Pb2 -","2","1","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.6","3.35","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240195","6.0948","0.0003","6.0953","0.0003","12.937","0.0006","90","","89.996","0.003","90","","480.6","0.04","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4 H6 Ba2 F O4 -","- C4 H6 Ba2 F O4 -","- C8 H12 Ba4 F2 O8 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0414","3.68277","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240196","5.7523","0.0002","19.3159","0.0007","8.7036","0.0004","90","","97.524","0.004","90","","958.74","0.07","298","1","298","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0482","0.0413","","","0.1086","0.1144","","","","","","1.039","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240197","11.9012","0.0007","17.1124","0.0008","7.6347","0.0003","90","","93.574","0.003","90","","1551.84","0.13","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0699","0.0523","","","0.1295","0.1387","","","","","","1.066","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240198","12.26148","0.0001","12.26148","0.0001","12.26148","0.0001","90","","90","","90","","1843.44","0.03","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2.3 Ga2.7 Gd3 O12 -","- Al2.301 Ga2.699 Gd3 O12 -","- Al18.408 Ga21.592 Gd24 O96 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0541","0.0495","","0.0591","0.0584","","","","4","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240199","12.4372","0.0001","12.4372","0.0001","12.4372","0.0001","90","","90","","90","","1923.84","0.03","293","","293","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al1.271 Ga2.1 Gd3 O12 Sc1.629 -","- Al1.272 Ga2.098 Gd3 O12 Sc1.63 -","- Al10.176 Ga16.784 Gd24 O96 Sc13.04 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0551","0.0482","","0.0573","0.057","","","","5.52","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240200","9.0757","0.0003","11.0502","0.0004","11.7199","0.0005","103.378","0.003","105.493","0.003","104.407","0.003","1039.69","0.08","100","2","100","2","","","101.3","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","1","1","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0563","0.0429","","","0.1019","0.1071","","","","","","1.049","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240201","9.1429","0.0004","11.095","0.0005","11.6725","0.0005","103.187","0.004","105.203","0.004","104.668","0.004","1048.93","0.09","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0839","0.0515","","","0.1096","0.1252","","","","","","1.021","","","","has coordinates,has disorder","249721","2020-10-21","18:00:00",""
"7240202","9.4219","0.0006","11.2659","0.0006","11.5862","0.0006","107.504","0.004","100.89","0.005","104.746","0.005","1086.25","0.12","410","2","410","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.1755","0.0692","","","0.1515","0.2004","","","","","","1.01","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240207","8.4509","0.0001","8.4509","0.0001","4.7354","0.0002","90","","90","","90","","338.191","0.015","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","a-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O5 P -","- Al4 Na4 O20 P4 -","4","0.5","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","1.54178","CuKα","","0.0598","0.0498","","","0.1544","0.1793","","","","","","1.227","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240208","6.1977","0.0002","6.1977","0.0002","10.3826","0.0009","90","","90","","90","","398.81","0.04","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","b-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O4.996 P -","- Al4 Na4 O19.984 P4 -","4","0.125","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0715","0.07","","","0.1846","0.1856","","","","","","1.368","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240209","7.8692","0.0005","7.8692","0.0005","7.0721","0.0006","90","","90","","120","","379.26","0.05","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al1.17 O6.33 P1.83 -","- Al1.16667 O6.416 P1.8334 -","- Al3.5 O19.248 P5.5002 -","3","0.25","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0362","0.0254","","","0.0515","0.0538","","","","","","1.076","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240210","9.5596","0.0004","34.5438","0.001","9.0322","0.0003","90","","113.902","0.005","90","","2726.9","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine bis(2-Methyl-5-(propan-2-yl)phenol)","","- C33 H37 N O2 -","- C33 H37 N O2 -","- C132 H148 N4 O8 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.71073","MoKα","","0.0896","0.057","","","0.1202","0.1359","","","","","","1.051","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240211","12.1372","0.0001","9.1209","0.0001","17.2439","0.0002","90","","108.629","0.001","90","","1808.92","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine 5-Methyl-2-(propan-2-yl)phenol","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.7","synchrotron","","0.0629","0.0617","","","0.1611","0.1627","","","","","","1.104","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240212","6.7908","0.0001","22.7451","0.0004","32.026","0.0007","90","","90","","90","","4946.65","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H90 O3 -","- C54 H90 O3 -","- C216 H360 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","1.54178","CuKα","","0.0687","0.0528","","","0.1337","0.1452","","","","","","1.031","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240213","6.9042","0.0008","22.803","0.003","31.694","0.004","90","","90","","90","","4989.8","1.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H92 O3 -","- C54 H92 O3 -","- C216 H368 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","0.71073","MoKα","","0.1245","0.0683","","","0.1497","0.1773","","","","","","1.011","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240223","7.8077","0.0016","6.1034","0.0012","22.881","0.005","90","","91.67","0.03","90","","1089.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","0.5","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.071","0.047","","","0.1188","0.133","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240224","5.6951","0.0011","32.968","0.007","7.2241","0.0014","90","","109.74","0.03","90","","1276.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O2 -","- C15 H16 N O2 -","- C60 H64 N4 O8 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0777","0.0626","","","0.1316","0.1378","","","","","","1.084","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240225","6.5705","0.0013","9.2493","0.0018","17.129","0.003","92.82","0.03","99.52","0.03","110.25","0.03","956.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","2","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0489","0.0398","","","0.0918","0.0969","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240226","6.5593","0.0013","9.2837","0.0019","16.826","0.003","82.39","0.03","81.52","0.03","69.63","0.03","946.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.1195","0.0777","","","0.1634","0.1803","","","","","","1.06","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240227","9.3729","0.0019","18.545","0.004","11.135","0.002","90","","113.89","0.03","90","","1769.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0581","0.0415","","","0.1024","0.1115","","","","","","1.04","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240228","20.435","0.002","4.6351","0.0006","17.7856","0.0019","90","","116.068","0.003","90","","1513.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cadavarine adipate;Pentane-1,5-diamine adipate","1,5-Diaminopentane adipate","","- C11 H28 N2 O6 -","- C11 H28 N2 O6 -","- C44 H112 N8 O24 -","4","0.5","","Yang, Pengpeng; Peng, Xiaoqiang; Wang, Sen; Li, Dong; Li, Ming; Jiao, Pengfei; Zhuang, Wei; Wu, Jianglan; Wen, Qingshi; Ying, Hanjie","Crystal structure, Thermodynamics, and Crystallization of Bio-based Polyamide 56 salt","CrystEngComm","2020","","","","","10.1039/D0CE00198H","","","0.71073","MoKα","","0.0408","0.0358","","","0.0915","0.0943","","","","","","1.145","","","","has coordinates","249831","2020-10-21","18:00:00",""
"7240230","21.4445","0.0011","21.4445","0.0011","9.3118","0.0005","90","","90","","90","","4282.2","0.4","260","2","260","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C9 H9 O5.5 P1.25 Zn -","- C9 H9 O5.5 P1.25 Zn -","- C72 H72 O44 P10 Zn8 -","8","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.0766","0.0585","","","0.1666","0.1867","","","","","","1.096","","","","has coordinates","249893","2020-10-21","18:00:00",""
"7240231","19.912","0.004","19.912","0.004","9.5338","0.0017","90","","90","","90","","3780","1.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C29 H42 N3 O12 P2 Zn2 -","- C29 H42 N3 O12 P2 Zn2 -","- C116 H168 N12 O48 P8 Zn8 -","4","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.1102","0.0748","","","0.2041","0.2229","","","","","","0.976","","","","has coordinates,has disorder","249893","2020-10-21","18:00:00",""
"7240232","7.5505","0.0015","8.4609","0.0017","19.059","0.004","90","","94.78","0.005","90","","1213.3","0.4","99.98","","99.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.0967","0.0579","","","0.1242","0.1467","","","","","","1.048","","","","has coordinates,has disorder","249894","2020-10-21","18:00:00",""
"7240233","8.0387","0.0016","8.3211","0.0016","19.109","0.004","90","","91.225","0.005","90","","1277.9","0.4","349.98","","349.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1262","0.0535","","","0.1327","0.1611","","","","","","1.051","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240234","7.8657","0.0004","8.3573","0.0005","19.1322","0.0011","90","","92.729","0.002","90","","1256.25","0.12","289.99","","289.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1082","0.0426","","","0.1148","0.1458","","","","","","1.102","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240235","8.1041","0.0017","8.3084","0.0017","19.127","0.004","90","","90.843","0.005","90","","1287.7","0.5","400","","400","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1389","0.0469","","","0.1227","0.1641","","","","","","1.055","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240242","21.0346","0.0009","13.9323","0.0007","8.424","0.0005","90","","92.856","0.002","90","","2465.7","0.2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H20 F8 N10 O2 V2 Zn2 -","- C15 H20 F8 N10 O2 V2 Zn2 -","- C60 H80 F32 N40 O8 V8 Zn8 -","4","0.5","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","","0.71073","MoKα","","0.0912","0.051","","","0.1056","0.1243","","","","","","1.022","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240243","9.97","0.002","15.173","0.003","18.46","0.004","90","","105.65","0.03","90","","2689","1","298","2","297.85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F6 N8 O3 V2 Zn -","- C16 H26 F6 N8 O3 V2 Zn -","- C64 H104 F24 N32 O12 V8 Zn4 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.63","synchrotron","","0.0559","0.0437","","","0.1273","0.1321","","","","","","1.087","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240244","21.4873","0.0008","14.4408","0.0005","20.9884","0.0007","90","","112.827","0.002","90","","6002.5","0.4","298","2","298","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 F12 N20 O3 V3 Zn3 -","- C40 H60 F12 N20 O3 V3 Zn3 -","- C160 H240 F48 N80 O12 V12 Zn12 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.71073","MoKα","","0.1717","0.0639","","","0.13","0.1781","","","","","","0.965","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240245","20.3464","0.0001","37.9267","0.0003","30.4684","0.0002","90","","97.04","0.001","90","","23334.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H292.5 Cl2.5 N88 O123 -","- C132 H132 Cl2.5 N88 O123.039 -","- C528 H528 Cl10 N352 O492.156 -","4","1","","Danylyuk, Oksana; Sashuk, Volodymyr","A three-in-one crystal of mixed sized cucurbit[n]uril homologues","CrystEngComm","2020","","","","","10.1039/D0CE00296H","","","1.54184","CuKα","","0.1194","0.1021","","","0.291","0.3138","","","","","","1.087","","","","has coordinates,has disorder","249991","2020-10-21","18:00:00",""
"7240247","9.461","0.0006","26.3464","0.0013","11.1125","0.0008","90","","90","","90","","2769.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0441","0.036","","","0.0873","0.09","","","","","","1.039","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240248","9.4529","0.0006","26.3871","0.001","11.1375","0.0006","90","","90","","90","","2778.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0419","0.0343","","","0.0804","0.0825","","","","","","1.031","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240249","11.4298","0.0007","17.5953","0.0009","23.3164","0.0013","90","","90","","90","","4689.2","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0741","0.0757","","","","","","1.021","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240250","11.4166","0.0009","17.5949","0.0013","23.3418","0.0016","90","","90","","90","","4688.8","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.035","0.0316","","","0.0809","0.0822","","","","","","1.004","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240253","9.8022","0.0003","11.3939","0.0003","14.907","0.0004","88.3116","0.0011","89.7934","0.0011","65.7475","0.001","1517.23","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O2 Si -","- C18 H16 O2 Si -","- C72 H64 O8 Si4 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0538","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240254","8.6748","0.0002","9.4769","0.0002","11.2572","0.0003","65.78","0.001","88.888","0.001","66.382","0.001","761.58","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","1","0.5","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0254","0.0237","","","0.062","0.0628","","","","","","1.066","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240255","9.8517","0.0003","11.4503","0.0003","15.0058","0.0004","88.4868","0.0009","89.8466","0.001","65.3416","0.0009","1537.77","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Ge O2 -","- C18 H16 Ge O2 -","- C72 H64 Ge4 O8 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0517","0.0394","","","0.1003","0.1052","","","","","","1.069","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240263","11.6483","0.0005","12.8326","0.0005","15.9004","0.0006","85.574","0.001","68.719","0.001","75.628","0.001","2145.16","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 Cd Mn2 N6 O10 -","- C46 H30 Cd Mn2 N6 O10 -","- C92 H60 Cd2 Mn4 N12 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.0576","0.0447","","","0.0926","0.0971","","","","","","1.068","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240264","11.196","0.003","12.133","0.003","16.012","0.004","70.63","0.008","74.044","0.008","75.725","0.007","1943.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cd Mn2 N4 O10 -","- C42 H24 Cd Mn2 N4 O10 -","- C84 H48 Cd2 Mn4 N8 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.2172","0.1433","","","0.2777","0.3114","","","","","","1.286","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240265","11.1656","0.0012","12.1921","0.0014","15.7403","0.0018","79.978","0.003","73.141","0.003","74.814","0.003","1967.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H27 Cd Mn2 N5 O10 -","- C44 H27 Cd Mn2 N5 O10 -","- C88 H54 Cd2 Mn4 N10 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.1333","0.1061","","","0.2994","0.3225","","","","","","1.048","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240272","10.7102","0.0008","12.4241","0.0009","18.9297","0.0014","88.674","0.002","81.057","0.003","77.969","0.002","2433.5","0.3","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","1","0.5","","Qi, Yue; Sun, Ou; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng","Enhanced near-infrared luminescence in Ln2Cd2 (Ln = Nd, Yb) heterotetranuclear complexes","CrystEngComm","2020","","","","","10.1039/D0CE00341G","","","0.71073","MoKα","","0.0543","0.0516","","","0.1321","0.1346","","","","","","1.07","","","","has coordinates,has disorder","250474","2020-10-21","18:00:00",""
"7240273","10.876","0.004","12.218","0.004","12.367","0.005","66.42","0.007","78.642","0.007","69.642","0.007","1408.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","1","0.5","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1531","0.0934","","","0.2572","0.3128","","","","","","0.996","","","","has coordinates,has disorder","250475","2020-10-21","18:00:00",""
"7240274","6.6062","0.0007","10.0221","0.0011","24.619","0.003","90","","95.193","0.004","90","","1623.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N12 O7 S -","- C7 H18 N12 O7 S -","- C28 H72 N48 O28 S4 -","4","1","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1197","0.0574","","","0.1298","0.1587","","","","","","0.999","","","","has coordinates","250475","2020-10-21","18:00:00",""
"7240275","7.054","0.0002","21.5123","0.0005","10.5167","0.0002","90","","96.191","0.001","90","","1586.58","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N4 O5 -","- C15 H22 N4 O5 -","- C60 H88 N16 O20 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0413","0.0354","","","0.0859","0.0897","","","","","","1.058","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240276","30.5126","0.001","9.6815","0.0003","7.3786","0.0002","90","","90","","90","","2179.7","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.028","0.0263","","","0.0642","0.0653","","","","","","1.087","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240277","17.3306","0.0013","5.9128","0.0005","17.503","0.0013","90","","92.156","0.003","90","","1792.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 N4 O2 -","- C19 H21 F3 N4 O2 -","- C76 H84 F12 N16 O8 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0439","0.0352","","","0.0835","0.0883","","","","","","1.017","","","","has coordinates,has disorder","250476","2020-10-21","18:00:00",""
"7240278","7.4169","0.0001","7.4169","0.0001","31.97","0.0007","90","","90","","90","","1758.68","0.05","302","2","302","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Cs2UO2Ga2O5","","- Cs2 Ga2 O7 U -","- Cs2.0022 Ga2 O7 U -","- Cs16.0176 Ga16 O56 U8 -","8","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0214","0.021","","","0.0498","0.0499","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240279","7.3052","0.0008","9.0828","0.001","11.7254","0.0013","75.857","0.004","72.834","0.004","86.974","0.004","720.65","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","Rb6(UO2)5O2(PO4)4","","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","1","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0728","0.0746","","","","","","1.056","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240280","9.548","0.004","13.488","0.005","14.898","0.006","64.755","0.016","72.369","0.016","89.511","0.016","1637.6","1.2","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","Rb5.93Cl0.93[UO2)5(PO4)5]","","- Cl0.95 O30 P5 Rb5.93 U5 -","- Cl0.947 O30 P5 Rb5.926 U5 -","- Cl1.894 O60 P10 Rb11.852 U10 -","2","1","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0703","0.0482","","","0.0892","0.096","","","","","","1.098","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240281","9.5935","0.0005","13.7652","0.0008","13.2983","0.0008","90","","101.343","0.002","90","","1721.82","0.17","303","2","302.88","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rb7.5[(UO2)8O8.6F0.4(PO4)2]","","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.8 O65.2 P4 Rb15.2 U16 -","2","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0428","0.0405","","","0.0865","0.0874","","","","","","1.362","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240282","25.7697","0.0006","25.7697","0.0006","9.3962","0.0002","90","","90","","90","","6239.8","0.2","301","2","301.14","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Rb11[(UO2)8(PO4)9]","","- O52 P9 Rb11.02 U8 -","- O52 P9 Rb10.9988 U8 -","- O208 P36 Rb43.9952 U32 -","4","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0366","0.035","","","0.0903","0.091","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240290","34.428","0.005","3.812","0.0006","19.787","0.003","90","","90","","90","","2596.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C96 H112 N48 O16 -","16","4","","Zhang, Keke; Fellah, Noalle; Shtukenberg, Alexander G.; Fu, Xiaoyan; Hu, Chunhua; Ward, Michael D.","Discovery of new polymorphs of the tuberculosis drug isoniazid","CrystEngComm","2020","","","","","10.1039/D0CE00440E","","","0.71073","MoKα","","0.085","0.0515","","","0.105","0.1202","","","","","","1.027","","","","has coordinates","250517","2020-10-21","18:00:00",""
"7240291","4.7844","0.001","6.1705","0.0012","15.43","0.003","90","","96.42","0.03","90","","452.67","0.16","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C20 H16 N8 -","2","0.5","","Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun","Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00311E","","","0.71073","MoKα","","0.0547","0.0447","","","0.1185","0.1246","","","","","","1.05","","","","has coordinates","250518","2020-10-21","18:00:00",""
"7240296","11.0533","0.0006","11.0533","0.0006","31.3156","0.0016","90","","90","","90","","3826","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H40 Co3 N6 O17 -","- C33 H40 Co3 N6 O17 -","- C132 H160 Co12 N24 O68 -","4","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0426","0.04","","","0.0999","0.1026","","","","","","1.072","","","","has coordinates,has disorder","250675","2020-10-21","18:00:00",""
"7240297","23.8554","0.0005","23.8554","0.0005","11.0075","0.0002","90","","90","","120","","5424.91","0.19","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H35 Co3 N5 O15 -","- C22 H25 Co3 N4 O13 -","- C132 H150 Co18 N24 O78 -","6","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0412","0.037","","","0.0937","0.0974","","","","","","1.054","","","","has coordinates","250675","2020-10-21","18:00:00",""
"7240298","12.1799","0.00046","13.7527","0.00061","7.0999","0.00039","90","","90","","90","","1189.28","0.1","298","","298","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C8.4 H11.6 Cu N4.8 O0.8 -","- C8.3622 H11.5118 Cu N4.7874 O0.7874 -","- C33.4488 H46.0472 Cu4 N19.1496 O3.1496 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240299","18.7113","0.0009","6.72929","0.00027","6.84365","0.00015","90","","90","","90","","861.71","0.06","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Cu N2 O -","- C3 H4 Cu N2 O -","- C24 H32 Cu8 N16 O8 -","8","1","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240300","20.26801","0.0005","9.53129","0.00021","7.35857","0.00015","90","","90","","90","","1421.53","0.06","298","","298","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C8.6 H10 Cu I2 N4.9 O0.9 -","- C8.5872 H10.0368 Cu I2 N4.4312 O0.862 -","- C34.3488 H40.1472 Cu4 I8 N17.7248 O3.448 -","4","0.25","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240301","13.70385","0.00033","14.45157","0.00035","7.13836","0.00019","90","","90","","90","","1413.7","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Cl2 Cu N5 O -","- C9 H11 Cl2 Cu N5 O1.0001 -","- C36 H44 Cl8 Cu4 N20 O4.0004 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240302","20.17156","0.00039","9.23328","0.00021","7.29128","0.00014","90","","90","","90","","1358","0.05","298","","298","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C7.5 H7.5 Cu I2 N4.5 O0.5 -","- C7.6284 H7.7996 Cu I2 N4.5428 O0.5428 -","- C30.5136 H31.1984 Cu4 I8 N18.1712 O2.1712 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240303","14.12276","0.00037","14.41132","0.0003","7.12786","0.00017","90","","90","","90","","1450.72","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Br2 Cu N5 O -","- C9.1554 H11.3626 Br2 Cu N5.0518 O1.0518 -","- C36.6216 H45.4504 Br8 Cu4 N20.2072 O4.2072 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240304","7.6112","0.0005","11.9128","0.0007","16.0046","0.001","81.915","0.003","81.796","0.003","80.15","0.003","1405.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0678","0.056","","","0.1485","0.1578","","","","","","1.047","","","","has coordinates","250755","2020-10-21","18:00:00",""
"7240305","7.6225","0.0008","12.046","0.0013","15.9044","0.0017","81.746","0.005","80.373","0.005","79.855","0.005","1407.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0947","0.0861","","","0.2402","0.2484","","","","","","1.077","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240306","7.6781","0.0005","12.0451","0.0008","15.9522","0.0011","81.688","0.003","81.54","0.003","79.019","0.003","1422.19","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58.01 Cl5.97 N4 O12 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.111","0.0868","","","0.2291","0.2485","","","","","","1.027","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240307","7.612","0.0005","12.0404","0.0007","15.8636","0.001","81.859","0.002","81.279","0.002","80.545","0.002","1407.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0766","0.0621","","","0.1683","0.1789","","","","","","1.066","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240312","11.8368","0.0007","12.9003","0.0007","12.9079","0.0008","77.415","0.002","70.445","0.002","87.203","0.002","1812.08","0.19","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0404","0.0323","","","0.0669","0.0703","","","","","","1.15","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240313","11.839","0.003","12.878","0.003","12.889","0.003","77.337","0.008","70.373","0.007","87.128","0.008","1805.3","0.8","298.14","","298.14","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0614","0.0468","","","0.0964","0.1019","","","","","","1.149","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240314","11.8312","0.001","12.9358","0.0011","12.9377","0.0011","77.643","0.003","87.27","0.003","70.613","0.003","1823.9","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0686","0.0537","","","0.1017","0.1073","","","","","","1.144","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240315","11.856","0.0009","12.9142","0.0008","12.9156","0.0009","77.43","0.002","87.145","0.003","70.506","0.002","1818.9","0.2","299.37","","299.37","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0682","0.053","","","0.0927","0.0989","","","","","","1.087","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240316","11.742","0.008","12.828","0.009","12.841","0.007","78.222","0.018","70.228","0.016","87.399","0.019","1781","2","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0729","0.07","","","0.1763","0.1799","","","","","","1.064","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240317","11.7703","0.0008","12.8448","0.0008","12.8648","0.0007","78.099","0.005","87.212","0.005","70.357","0.006","1792","0.2","122.65","0.1","122.65","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0821","0.0859","","","","","","1.056","","","","has coordinates,has disorder","250830","2020-10-21","18:00:00",""
"7240318","18.629","0.003","5.2842","0.0008","22.841","0.004","90","","90","","90","","2248.5","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(DL)-malic acid nicotinamide","(R, S)-2-hydroxysuccinic acid nicotinamide","","- C10 H12 N2 O6 -","- C10 H12 N2 O6 -","- C80 H96 N16 O48 -","8","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0631","0.0477","","","0.113","0.1197","","","","","","1.08","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240319","4.7631","0.0002","8.8253","0.0004","10.662","0.0005","96.829","0.003","95.279","0.003","105.603","0.003","424.99","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","L-malic acid nicotinamide","(R)-2-hydroxysuccinic acid nicotinamide","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","1","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0516","0.037","","","0.0845","0.0919","","","","","","1.021","","","","has coordinates,has disorder","250831","2020-10-21","18:00:00",""
"7240320","5.3395","0.0005","11.3914","0.0015","11.6131","0.0013","78.849","0.009","82.062","0.008","81.076","0.009","680.36","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","DL-phenyllactic acid isonicotinamide","(R,S)-2-hydroxy-3-phenylpropionic acid isonicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.1038","0.0531","","","0.1298","0.1567","","","","","","0.79","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240321","5.304","0.0002","11.4994","0.0004","11.748","0.0005","80.398","0.003","81.767","0.003","82.135","0.003","694.52","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","(L)-phenyllactic acid nictonamide","(S)-2hyrdoxy-3-phenylpropionic acid nicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","1.54178","CuKα","","0.0689","0.0528","","","0.1276","0.1415","","","","","","1.071","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240322","8.6847","0.0017","9.1876","0.0018","27.083","0.005","90","","90","","90","","2161","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0789","0.0436","","","0.1074","0.1278","","","","","","1.008","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240323","12.2","0.005","9.143","0.004","8.797","0.004","90","","102.02","0.008","90","","959.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-phenylmethylidene]acetohydrazide","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0856","0.0433","","","0.0947","0.1124","","","","","","1.006","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240326","11.391","0.0008","18.0035","0.0013","11.849","0.001","90","","108.332","0.002","90","","2306.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N5 O4 Zn -","- C21 H29 N5 O4 Zn -","- C84 H116 N20 O16 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0481","0.0327","","","0.1","0.12","","","","","","1.148","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240327","11.3882","0.0012","17.9996","0.0019","11.8463","0.0015","90","","108.327","0.004","90","","2305.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S Zn -","- C22 H29 N3 O4 S Zn -","- C88 H116 N12 O16 S4 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0692","0.052","","","0.1605","0.1805","","","","","","1.139","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240329","8.2922","0.0006","9.4246","0.0007","12.9343","0.001","111.004","0.002","99.018","0.003","97.623","0.002","912.24","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0553","0.0456","","","0.1169","0.1259","","","","","","1.045","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240330","28.5939","0.0014","7.5267","0.0004","19.389","0.0008","90","","121.964","0.001","90","","3540.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(1-benzyl-4-(4-flourophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C19 H16 F N3 O3 -","- C19 H16 F N3 O3 -","- C152 H128 F8 N24 O24 -","8","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.089","0.0524","","","0.1365","0.1614","","","","","","1.043","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240331","8.3157","0.0006","9.5082","0.0008","13.1245","0.001","68.898","0.004","86.538","0.004","85.332","0.004","964.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C40 H36 Cl2 N6 O6 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0789","0.0569","","","0.1503","0.1683","","","","","","1.056","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240332","8.2517","0.0003","17.9945","0.0009","12.2748","0.0006","90","","99.877","0.002","90","","1795.61","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1-(4-methylbenzyl)-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0796","0.0532","","","0.1483","0.1671","","","","","","1.044","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240333","7.2372","0.0011","12.786","0.0019","14.237","0.002","68.774","0.003","78.572","0.004","81.97","0.004","1200.4","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Cl2 N4 O5 Zn -","- C24 H12 Cl2 N4 O5 Zn -","- C48 H24 Cl4 N8 O10 Zn2 -","2","1","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.139","0.07","","","0.167","0.1936","","","","","","1.093","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240334","7.574","0.0008","12.2366","0.0012","15.0059","0.0015","90","","93.741","0.003","90","","1387.8","0.2","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H21 Cl2 N5 O5 Zn -","- C28 H21 Cl2 N5 O5 Zn -","- C56 H42 Cl4 N10 O10 Zn2 -","2","0.5","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.0392","0.032","","","0.0839","0.0879","","","","","","1.046","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240340","14.3462","0.0009","8.6625","0.0004","15.5482","0.0008","90","","103.643","0.005","90","","1877.72","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O4 S -","- C19 H23 N3 O4 S -","- C76 H92 N12 O16 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","x-ray","0.71073","MoKα","","0.0688","0.0547","","","0.1302","0.1425","","","","","","1.041","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240341","10.7014","0.0003","16.4238","0.0002","17.7316","0.0004","90","","84.66","0.001","90","","3102.94","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 N4 O11 S2 -","- C31 H34 N4 O11 S2 -","- C124 H136 N16 O44 S8 -","4","0.5","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0385","0.0348","","","0.0911","0.0941","","","","","","1.044","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240342","7.3522","0.0003","8.8174","0.0004","32.2124","0.0015","90","","95.683","0.004","90","","2077.98","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O5 S -","- C23 H25 N3 O5 S -","- C92 H100 N12 O20 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0872","0.0575","","","0.1234","0.1496","","","","","","1.072","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240343","16.3837","0.0003","17.112","0.0004","13.3343","0.0003","90","","96.683","0.001","90","","3712.97","0.14","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Cu N O13.75 -","- C12 H19 Cu N O13.75 -","- C96 H152 Cu8 N8 O110 -","8","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0929","0.0752","","","0.157","0.17","","","","","","1.17","","","","has coordinates,has disorder","250962","2020-10-21","18:00:00",""
"7240344","7.514","0.0004","9.0832","0.0005","11.5882","0.0007","73.946","0.002","89.605","0.002","87.875","0.002","759.54","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cu2 N O11 -","- C12 H13 Cu2 N O11 -","- C24 H26 Cu4 N2 O22 -","2","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0506","0.0374","","","0.0844","0.0929","","","","","","1.044","","","","has coordinates","250962","2020-10-21","18:00:00",""
"7240345","17.4385","0.0006","4.8748","0.0002","25.7168","0.0009","90","","90","","90","","2186.16","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Chloroquinolin","3-((7-chloroquinolin-4-yl)oxy)propan-1-ol","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0292","0.0266","","","0.0682","0.0696","","","","","","1.04","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240346","4.3139","0.0002","25.5732","0.0014","9.571","0.0005","90","","102.074","0.002","90","","1032.52","0.09","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0624","0.0411","","","0.0786","0.0844","","","","","","1.021","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240347","4.5838","0.0002","14.8986","0.0007","14.9416","0.0007","90","","93.484","0.001","90","","1018.51","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminoquinolina","2-((7-chloroquinolin-4-yl)amino)ethanol","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.56086","AgKα","","0.0434","0.0341","","","0.0953","0.1008","","","","","","1.045","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240367","6.8569","0.0003","9.5546","0.0006","12.4049","0.0006","96.102","0.005","104.127","0.004","93.993","0.005","779.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0374","0.0306","","","0.0744","0.0811","","","","","","1.076","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240368","7.113","0.0002","7.7595","0.0003","20.7174","0.0005","98.092","0.002","98.334","0.002","95.893","0.003","1111.25","0.06","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 I N O -","- C28 H20 I N O -","- C56 H40 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0587","0.0499","","","0.1336","0.1414","","","","","","1.079","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240374","16.4079","0.0008","22.3318","0.001","43.2705","0.0019","90","","90","","90","","15855.1","1.3","120","2","120.01","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C288 H288 Cs18 Mo40 Na10 O442 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0469","0.0465","","","0.1306","0.131","","","","","","1.044","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240375","19.0337","0.0007","16.6107","0.0005","43.9445","0.0016","90","","93.491","0.002","90","","13867.8","0.8","120","2","119.98","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C192 H240 Cs22 Mo40 Na24 O408 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0325","0.032","","","0.0904","0.0907","","","","","","1.034","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240376","16.3345","0.0007","43.377","0.0019","22.8979","0.0011","90","","93.6564","0.0018","90","","16191.1","1.3","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C288 H312 K23 Mo40 Na6 O478 P16 -","2","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0551","0.0531","","","0.1458","0.1478","","","","","","1.028","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240377","44.727","0.003","17.6015","0.001","32.7474","0.0018","90","","92.424","0.002","90","","25758","3","120","2","119.95","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H114 Mo20 Na23 O210.5 P8 -","- C96 H114 Mo20 Na23 O210.5 P8 -","- C384 H456 Mo80 Na92 O842 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.053","0.0524","","","0.1406","0.1412","","","","","","1.032","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240378","36.048","0.002","16.1202","0.0009","47.517","0.003","90","","111.956","0.004","90","","25609","3","130","2","130.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C384 H440 K80 Mo80 Na6 O772 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0454","0.0449","","","0.1223","0.1226","","","","","","1.067","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240379","16.2743","0.0014","23.885","0.002","23.974","0.002","100.808","0.003","95.617","0.003","91.227","0.003","9102.2","1.3","120","2","120.04","","","","","","","","","6","P 1","P 1","1","","","","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.068","0.0671","","","0.1833","0.1842","","","","","","1.037","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240380","16.4104","0.001","22.5164","0.0013","24.1911","0.0016","82.942","0.002","70.254","0.002","82.498","0.002","8311.3","0.9","150","2","150","","","","","","","","","6","P 1","P 1","1","","","","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0427","0.042","","","0.1085","0.109","","","","","","1.033","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240382","24.0649","0.0006","30.3771","0.0007","18.2553","0.0005","90","","90","","90","","13345","0.6","293","2","296","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C60 H96 Co3 F20 N30 O90 V2 W18 -","- C60 H40 Co3 F20 N30 O64 V2 W18 -","- C240 H160 Co12 F80 N120 O256 V8 W72 -","4","0.5","","Shen, Nan; Feng, Tian; Chang, Jun; Huang, Kunlin; Zhang, Zhi-Hui; Feng, Xuejun; Gu, Jiande; Chen, Sheng-Chun; He, Mingyang; Chen, Qun","An unprecedented cobalt(II)-containing Wells-Dawson-type tungstovanadate-based metal-organic framework as efficient catalyst for ring-opening polymerization of -caprolactone","CrystEngComm","2020","","","","","10.1039/D0CE00309C","","","0.71073","MoKα","","0.0782","0.0607","","","0.1607","0.1784","","","","","","1.02","","","","has coordinates","251113","2020-10-21","18:00:00",""
"7240383","7.8352","0.0006","8.9191","0.0007","9.4663","0.0007","111.55","0.007","107.076","0.007","100.662","0.006","555.34","0.09","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C22 H18 F2 N4 O12 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.093","0.09","","","0.2227","0.2295","","","","","","1.023","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240384","7.2314","0.0004","9.9761","0.0006","10.2732","0.0005","103.754","0.005","102.275","0.005","108.186","0.005","650.04","0.07","150","10","150","10","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O8 -","- C11 H13 F N2 O8 -","- C22 H26 F2 N4 O16 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.0484","0.0404","","","0.0988","0.1075","","","","","","1.097","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240385","9.5121","0.0004","5.5084","0.0003","21.2993","0.0008","90","","94.115","0.004","90","","1113.13","0.09","150","10","150","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C44 H36 F4 N8 O24 -","4","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54178","CuKα","","0.0469","0.0393","","","0.106","0.1121","","","","","","1.131","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240386","12.0896","0.0001","13.6597","0.0002","17.8304","0.0002","90","","101.535","0.001","90","","2885.05","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br2 Cu4 N9 O -","- C25 H25 Br2 Cu4 N9 O -","- C100 H100 Br8 Cu16 N36 O4 -","4","1","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0926","0.0422","","","0.0906","0.1064","","","","","","1.024","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240387","7.0225","0.0001","8.3565","0.0002","11.6598","0.0002","87.609","0.001","79.128","0.001","72.938","0.001","642.31","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","1","0.5","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0405","0.0279","","","0.0525","0.0564","","","","","","1.061","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240396","5.8035","0.0006","12.8761","0.0015","13.1702","0.0013","66.778","0.004","82.336","0.005","86.696","0.005","896.34","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O8 -","- C46 H38 O8 -","- C46 H38 O8 -","1","0.5","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0376","0.0342","","","0.0888","0.0914","","","","","","1.025","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240397","10.369","0.0009","10.4966","0.0009","15.0556","0.0013","101.026","0.002","95.922","0.001","96.615","0.001","1584.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cd N4 O9 -","- C31 H34 Cd N4 O9 -","- C62 H68 Cd2 N8 O18 -","2","1","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0669","0.0523","","","0.1365","0.1452","","","","","","0.983","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240403","6.593","0.0005","17.391","0.0013","6.667","0.0004","90","","96.506","0.002","90","","759.51","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 K N3 O5 -","- C4 H4 K N3 O5 -","- C16 H16 K4 N12 O20 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0585","0.0434","","","0.1086","0.1168","","","","","","1.015","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240404","8.5165","0.0007","10.349","0.0009","7.679","0.0006","90","","98.841","0.002","90","","668.76","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N3 O4 Rb -","- C4 H2 N3 O4 Rb -","- C16 H8 N12 O16 Rb4 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0445","0.0337","","","0.0754","0.0785","","","","","","1.051","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240405","8.4707","0.0006","10.5631","0.0009","8.1634","0.0007","90","","97.822","0.001","90","","723.64","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cs N3 O4 -","- C4 H2 Cs N3 O4 -","- C16 H8 Cs4 N12 O16 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.1618","0.0944","","","0.2263","0.2655","","","","","","1.048","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240406","5.158","0.0004","8.074","0.0006","10.088","0.0008","68.653","0.001","77.889","0.001","85.133","0.002","382.57","0.05","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","1","0.5","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0594","0.0493","","","0.1422","0.1504","","","","","","1.093","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240407","7.2918","0.0005","5.987","0.0004","36.209","0.002","90","","90","","90","","1580.74","0.17","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0879","0.0741","","","0.2017","0.2197","","","","","","1.13","","","","has coordinates,has disorder","251199","2020-10-21","18:00:00",""
"7240408","15.8989","0.0017","6.0142","0.0006","17.7912","0.0019","90","","97.217","0.005","90","","1687.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 O4 Pt -","- C46 H30 O4 Pt -","- C92 H60 O8 Pt2 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0962","0.0458","","","0.0728","0.0912","","","","","","1.032","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240409","13.093","0.007","5.92","0.004","21.808","0.012","90","","102.07","0.011","90","","1653","1.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 Cu O4 -","- C46 H30 Cu O4 -","- C92 H60 Cu2 O8 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0792","0.0452","","","0.0891","0.1048","","","","","","1.078","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240410","35.924","0.006","6.0389","0.0011","16.287","0.003","90","","109.919","0.005","90","","3321.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 O4 Pd -","- C46 H30 O4 Pd -","- C184 H120 O16 Pd4 -","4","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0816","0.0453","","","0.091","0.1095","","","","","","1.046","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240417","19.6366","0.0009","21.2636","0.0011","11.5383","0.0006","90","","101.743","0.002","90","","4716.9","0.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F6 N2 O7 Tb -","- C24 H10 F6 N2 O7 Tb -","- C192 H80 F48 N16 O56 Tb8 -","8","1","","Yu, Hai-Huan; Chi, Jia-Qi; Su, Zhong-Min; Li, Xiao; Sun, Jing; Zhou, Chen; Hu, Xiao-Li; Liu, Qun","A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater","CrystEngComm","2020","","","","","10.1039/D0CE00430H","","x-ray","0.71073","MoKα","","0.0368","0.0292","","","0.0691","0.0731","","","","","","1.042","","","","has coordinates","251252","2020-10-21","18:00:00",""
"7240418","21.824","0.006","22.95","0.006","14.977","0.004","90","","90","","90","","7501","3","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C24 H16 Cu2 N4 O10 -","- C24 H16 Cu2 N4 O10 -","- C192 H128 Cu16 N32 O80 -","8","0.5","","He, Cheng; Hou, Chao; Wang, Yumin; Gong, Xue Yong; Jiang, Hong Li; Sun, YongBin; Liu, Kun; Cao, Xiao Qun","Open metal sites(OMSs) and Lewis basic sites(LBSs) -functionalized copper-organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation","CrystEngComm","2020","","","","","10.1039/C9CE02005E","","","0.71073","MoKα","","0.0656","0.0637","","","0.185","0.1864","","","","","","1.11","","","","has coordinates,has disorder","251253","2020-10-21","18:00:00",""
"7240419","12.632","0.003","16.415","0.003","20.567","0.004","90","","90","","90","","4264.7","1.5","113","2","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H15 N12 O16.5 -","- C10.5 H15 N12 O16.5 -","- C84 H120 N96 O132 -","8","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.052","0.0426","","","0.0864","0.0918","","","","","","0.989","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240420","13.344","0.003","8.2595","0.0017","24.392","0.005","90","","103.25","0.03","90","","2616.8","1","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N14 O14 -","- C14 H24 N14 O14 -","- C56 H96 N56 O56 -","4","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0785","0.0591","","","0.1434","0.1552","","","","","","1","","","","has coordinates,has disorder","251254","2020-10-21","18:00:00",""
"7240421","16.135","0.003","12.819","0.003","20.762","0.004","90","","90","","90","","4294.3","1.5","113","2","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N12 O16 S -","- C10 H16 N12 O16 S -","- C80 H128 N96 O128 S8 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.067","0.0611","","","0.1842","0.1905","","","","","","1.066","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240422","7.9666","0.0016","18.078","0.004","15.915","0.003","90","","96.91","0.03","90","","2275.4","0.8","113","2","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N12 O16 -","- C12 H16 N12 O16 -","- C48 H64 N48 O64 -","4","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0624","0.0443","","","0.101","0.1111","","","","","","1.027","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240423","16.618","0.003","13.005","0.003","21.332","0.004","90","","90","","90","","4610.2","1.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C48 H48 N96 O96 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.1601","0.1404","","","0.3255","0.339","","","","","","1.101","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240430","12.4202","0.0006","7.851","0.0004","24.3664","0.0012","90","","98.614","0.003","90","","2349.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20.5 N3 O6 -","- C24 H20.5 N3 O6 -","- C96 H82 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0869","0.0723","","","0.2161","0.235","","","","","","1.059","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240431","12.408","0.004","7.7207","0.0014","24.595","0.005","90","","99.138","0.016","90","","2326.3","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.79 H18.58 Cl1.58 N3 O5 -","- C22.789 H18.578 Cl1.578 N3 O5 -","- C91.156 H74.312 Cl6.312 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1181","0.088","","","0.1869","0.2045","","","","","","1.114","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240432","30.1704","0.0017","7.7664","0.0004","24.4219","0.0014","90","","123.587","0.003","90","","4767","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl3 N3 O5 -","- C23 H18 Cl3 N3 O5 -","- C184 H144 Cl24 N24 O40 -","8","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1379","0.0805","","","0.1841","0.2213","","","","","","1.046","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240433","12.3314","0.0006","7.873","0.0004","24.6987","0.0011","90","","99.463","0.002","90","","2365.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O6 -","- C26 H21 N3 O6 -","- C104 H84 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.0719","0.0505","","","0.1269","0.1419","","","","","","1.053","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240434","12.5159","0.0006","7.7861","0.0005","24.3482","0.001","90","","96.499","0.004","90","","2357.5","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N3 O7 -","- C25 H22 N3 O7 -","- C100 H88 N12 O28 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0921","0.0681","","","0.183","0.2066","","","","","","1.047","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240435","12.379","0.0006","7.8469","0.0003","24.9711","0.0011","90","","100.568","0.003","90","","2384.47","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.01 H21.02 Cl2.01 N3 O5 -","- C24.01 H21.02 Cl2.01 N3 O5 -","- C96.04 H84.08 Cl8.04 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1701","0.1356","","","0.36","0.3902","","","","","","1.422","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240447","11.0926","0.0006","14.8423","0.0008","25.6676","0.0014","90","","90","","90","","4225.9","0.4","104","2","104","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O5 S -","- C20 H22 N4 O5 S -","- C160 H176 N32 O40 S8 -","8","1","","Ahuja, Dipali; Svärd, Michael; Lusi, Matteo; Rasmuson, Ake","Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine ‒ 3- methylsalicylic acid co-crystal","CrystEngComm","2020","","","","","10.1039/D0CE00498G","","","0.71076","MoKα","","0.0726","0.0535","","","0.1113","0.1183","","","","","","1.159","","","","has coordinates","251516","2020-10-21","18:00:00",""
"7240448","12.925","0.001","12.925","0.001","7.9339","0.0007","90","","90","","120","","1147.83","0.16","300","","300","","","","","","","","","4","P -3","-P 3","147","K-PreAFY","","","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","1","0.166667","","Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi","First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor","CrystEngComm","2020","","","","","10.1039/D0CE00644K","powder diffraction","","0.7994","synchrotron","","0.00859","","","","","","0.00851","0.01792","6.4863","","","","","","","has coordinates","251517","2020-10-21","18:00:00",""
"7240450","7.8002","0.0003","7.8688","0.0003","11.9165","0.0005","106.389","0.001","91.057","0.001","93.117","0.001","700.22","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","1","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0343","0.0243","","","0.0598","0.0645","","","","","","1.064","","","","has coordinates","251789","2020-10-21","18:00:00",""
"7240451","7.851","0.002","7.792","0.002","12.456","0.003","90","","105.148","0.007","90","","735.5","0.3","383","2","383","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","0.5","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.0977","0.1048","","","","","","1.152","","","","has coordinates,has disorder","251789","2020-10-21","18:00:00",""
"7240452","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Mian, Mohammad Rasel; Afrin, Unjila; Iguchi, Hiroaki; Takaishi, Shinya; Yoshida, Takefumi; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi; Yamashita, Masahiro","Conductive zigzag Pd(III)‒Br chain complex realized by multiple-hydrogen-bond approach","CrystEngComm","2020","","","","","10.1039/D0CE00332H","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251790","2020-10-21","18:00:00",""
"7240453","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Wang, Mengdie; Zhang, Jian; Sun, Yun-Kai; Wei, Jing; Tan, Chunhong; Wang, Xiao-Feng","Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00513D","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251791","2020-10-21","18:00:00",""
"7240456","9.017","0.003","9.118","0.003","9.594","0.003","90","","95.676","0.013","90","","784.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 I N O S3 -","- C4 I N O S3 -","- C16 I4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0843","0.0521","","","0.1214","0.1477","","","","","","1.091","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240457","15.9488","0.0017","12.5276","0.0012","16.2505","0.0018","90","","92.452","0.006","90","","3243.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 I2 N3 Ni S6 -","- C22 H36 I2 N3 Ni S6 -","- C88 H144 I8 N12 Ni4 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.1443","0.0562","","","0.1314","0.1621","","","","","","0.983","","","","has coordinates,has disorder","251826","2020-10-21","18:00:00",""
"7240458","15.6439","0.001","12.2704","0.0008","16.6152","0.0011","90","","93.368","0.003","90","","3183.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C88 H144 Au4 I8 N12 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0773","0.0671","","","0.1651","0.1765","","","","","","1.034","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240459","11.1817","0.0005","13.2215","0.0005","11.5412","0.0004","90","","91.649","0.002","90","","1705.53","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C44 H72 Au2 I4 N6 S12 -","2","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0831","0.0509","","","0.0946","0.1078","","","","","","1.028","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240460","3.9123","0.0002","16.5922","0.0011","9.7464","0.0005","90","","98.329","0.003","90","","626","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H N O S3 -","- C4 H N O S3 -","- C16 H4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.0763","0.0805","","","","","","1.09","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240461","22.684","0.0006","22.684","0.0006","22.684","0.0006","90","","90","","90","","11672.4","0.5","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","ZIF-76 mbIm","Zn(Im)1.20(ClFbIm)0.80","","- C240 H220.8 N96 O8 Zn24 -","- C10.079 H5.58 N4 O0.333333 Zn -","- C241.896 H133.92 N96 O8 Zn24 -","24","1","","Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas","Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00408A","","","1.54184","CuKα","","0.1424","0.1156","","","0.2989","0.3534","","","","","","1.365","","","","has coordinates,has disorder","251827","2020-10-21","18:00:00",""
"7240462","5.4015","0.0006","11.0987","0.0011","13.6141","0.0017","90","","97.202","0.012","90","","809.72","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2,6-diaminobenzoate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0579","0.0453","","","0.1038","0.1101","","","","","","1.06","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240463","9.7212","0.0003","35.4733","0.0012","26.2238","0.001","90","","97.36","0.003","90","","8968.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-tosylamino-6-aminobenzoate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C360 H384 N48 O96 S24 -","24","6","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1213","0.0625","","","0.1317","0.158","","","","","","1.024","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240464","7.1001","0.0004","10.8475","0.0007","16.4165","0.0011","90","","94.379","0.006","90","","1260.68","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl2,6-dinitrobenzoate bis HBF4 salt","","- C8 H12 B2 F8 N2 O2 -","- C8 H12 B2 F8 N2 O2 -","- C32 H48 B8 F32 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0625","0.044","","","0.0818","0.0884","","","","","","1.109","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240465","11.5169","0.0008","12.9904","0.001","15.2893","0.0009","67.212","0.006","77.44","0.005","77.991","0.006","2038.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2,6-diaminobenzoate bis BPh3 complex bis acetontrile solvate","","- C48 H46 B2 N4 O2 -","- C48 H46 B2 N4 O2 -","- C96 H92 B4 N8 O4 -","2","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1469","0.0721","","","0.145","0.1797","","","","","","1.043","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240466","7.1708","0.0002","17.5834","0.0006","14.7293","0.0005","90","","98.972","0.001","90","","1834.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl N3 O4 -","- C19 H22 Cl N3 O4 -","- C76 H88 Cl4 N12 O16 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0671","0.0468","","","0.1295","0.1451","","","","","","1.024","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240467","6.9435","0.0003","21.8674","0.0009","11.8018","0.0005","90","","99.86","0.001","90","","1765.47","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 O2 -","- C20 H20 Cl N3 O2 -","- C80 H80 Cl4 N12 O8 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0645","0.0466","","","0.1141","0.1241","","","","","","1.026","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240468","6.917","0.0005","8.8668","0.0007","14.1791","0.0012","105.866","0.002","99.29","0.002","96.696","0.002","813.61","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0757","0.0489","","","0.118","0.1332","","","","","","1.021","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240469","14.8763","0.0011","7.2318","0.0005","14.9535","0.0011","90","","102.805","0.002","90","","1568.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N3 O -","- C19 H16 Cl N3 O -","- C76 H64 Cl4 N12 O4 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0753","0.0454","","","0.1129","0.1271","","","","","","1.034","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240470","7.03","0.0013","22.083","0.004","11.555","0.002","90","","97.563","0.006","90","","1778.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N3 O3 -","- C19 H20 Cl N3 O3 -","- C76 H80 Cl4 N12 O12 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71076","MoKα","","0.1794","0.0785","","","0.1827","0.2275","","","","","","1.017","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240471","7.6333","0.0008","11.2359","0.0011","18.1058","0.0018","90","","99.64","0.005","90","","1531","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethane]","","- C28 H32 F2 N8 O6 S2 -","- C28 H32 F2 N8 O6 S2 -","- C56 H64 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0325","0.0292","","","0.0677","0.07","","","","","","1.024","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240472","7.4883","0.0007","11.2957","0.0011","18.1735","0.0018","90","","100.406","0.005","90","","1511.9","0.3","298.15","","298.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethylene]","","- C28 H30 F2 N8 O6 S2 -","- C28 H30 F2 N8 O6 S2 -","- C56 H60 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0427","0.0369","","","0.0838","0.0869","","","","","","1.059","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240473","7.5024","0.0008","11.2194","0.0011","18.2134","0.0018","90","","100.538","0.005","90","","1507.2","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4-azopyridine]'","","- C26 H27 F2 N10 O6 S2 -","- C26 H27 F2 N10 O6 S2 -","- C52 H54 F4 N20 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0591","0.0487","","","0.1106","0.1157","","","","","","1.073","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240474","7.4668","0.001","9.67","0.0014","26.187","0.004","90","","90.087","0.004","90","","1890.8","0.5","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4,4'-bipyridine]","","- C18 H19 F N5 O3.5 S -","- C18 H19 F N5 O3.5 S -","- C72 H76 F4 N20 O14 S4 -","4","2","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0633","0.0559","","","0.1267","0.1307","","","","","","1.0385","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240479","11.609","0.012","7.722","0.007","12.775","0.013","90","","90.76","0.03","90","","1145","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.2727","0.0956","","","0.2145","0.2974","","","","","","0.996","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240480","11.4789","0.001","7.7861","0.0006","12.4833","0.0011","90","","91.539","0.003","90","","1115.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.1498","0.0828","","","0.2076","0.2513","","","","","","1.022","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240481","11.5168","0.001","7.6482","0.0006","12.8491","0.0011","90","","90.876","0.003","90","","1131.65","0.16","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.166","0.0676","","","0.1503","0.1967","","","","","","1.024","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240482","8.8101","0.0004","17.1707","0.0008","13.2499","0.0007","90","","101.1","0.002","90","","1966.89","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole amantadine salt","4-Amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 1-Adamantylammonium salt","","- C19 H26 N4 O2 S2 -","- C19 H26 N4 O2 S2 -","- C76 H104 N16 O8 S8 -","4","1","","Wang, Ling-Yang; Yu, Yueming; Yu, Ming-Chao; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients","CrystEngComm","2020","","","","","10.1039/D0CE00368A","","","0.71073","MoKα","","0.0949","0.05","","","0.0935","0.1083","","","","","","1.016","","","","has coordinates","251877","2020-10-21","18:00:00",""
"7240497","20.7914","0.0011","25.4192","0.0011","26.4883","0.0008","90","","90","","90","","13999.1","1","100","2","100","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","poly-{(dimethylammonium) [tetrakis(mu3-butyladeninato-kN3:kN7:kN9)tetrakis(mu-biphenyldicarboxylato-kO:kO')(mu4-oxido)hexazincate]-dimethylformamide-water (1/4/13)","","- C108 H150 N26 O34 Zn6 -","- C108 H124 N26 O30 Zn6 -","- C432 H496 N104 O120 Zn24 -","4","0.5","","Garcia-Raso, Angel; TERRON, ANGEL; rosello, Yannick; Frontera, Antonio; Castillo, Oscar; Beobide, Garikoitz; Perez-Yañez, Sonia; Escudero, Eduardo Carmelo; FIOL, JUAN J J","Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology","CrystEngComm","2020","","","","","10.1039/D0CE00631A","","","0.7107","MoKα","","0.1168","0.0714","","","0.204","0.224","","","","","","1.116","","","","has coordinates,has disorder","251966","2020-10-21","18:00:00",""
"7240498","12.513","0.003","13.386","0.003","14.866","0.003","113.61","0.03","91.56","0.02","106.97","0.03","2152.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 N O10 Si Zn2 -","- C24 H23 N O10 Si Zn2 -","- C48 H46 N2 O20 Si2 Zn4 -","2","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","0.71073","MoKα","","0.0846","0.0612","","","0.1373","0.1464","","","","","","0.999","","","","has coordinates,has disorder","252004","2020-10-21","18:00:00",""
"7240499","10.7672","0.0002","25.0553","0.0005","24.4048","0.0005","90","","98.31","0.001","90","","6514.7","0.2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mn-TPCSiOH","","","- C45 H39 Mn3 N O18 Si2 -","- C45 H39 Mn3 N O18 Si2 -","- C180 H156 Mn12 N4 O72 Si8 -","4","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","1.54178","CuKα","","0.088","0.0627","","","0.1393","0.1497","","","","","","1.054","","","","has coordinates","252004","2020-10-21","18:00:00",""
"7240500","8.2027","0.0006","8.8661","0.0005","11.48","0.0007","89.566","0.005","70.547","0.006","81.668","0.006","778.18","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl I3 N2 -","- C10 H10 Cl I3 N2 -","- C20 H20 Cl2 I6 N4 -","2","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0647","0.0414","","","0.0902","0.1126","","","","","","0.921","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240501","8.0102","0.0009","8.0918","0.001","14.048","0.0018","90.722","0.01","99.454","0.01","119.57","0.013","776.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Cl I N O0.5 -","- C5 H6 Cl I N O0.5 -","- C20 H24 Cl4 I4 N4 O2 -","4","2","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0426","0.0297","","","0.0655","0.0678","","","","","","0.91","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7240502","4.5838","0.0002","14.8642","0.0005","10.6931","0.0003","90","","91.693","0.003","90","","728.25","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0442","0.029","","","0.0625","0.0651","","","","","","0.9","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240503","4.5792","0.0001","21.7962","0.0006","8.1293","0.0003","90","","101.885","0.003","90","","793.99","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.045","0.0281","","","0.0593","0.0618","","","","","","0.903","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240504","4.4564","0.0003","10.8438","0.0007","14.8824","0.0011","90","","94.886","0.007","90","","716.57","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0883","0.0413","","","0.0748","0.0836","","","","","","0.8","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240505","4.6289","0.0002","15.1319","0.0008","11.0844","0.0009","90","","91.478","0.007","90","","776.14","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0347","0.031","","","0.0782","0.0803","","","","","","0.924","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240506","15.0849","0.0007","4.7247","0.0002","11.2538","0.0004","90","","90","","90","","802.08","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0232","0.0191","","","0.0413","0.0422","","","","","","0.871","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240507","14.962","0.0007","4.5454","0.0002","10.9014","0.0005","90","","90","","90","","741.39","0.06","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0359","0.0287","","","0.0613","0.0625","","","","","","0.88","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240508","4.3369","0.0008","8.4079","0.0017","9.736","0.002","90","","94.12","0.018","90","","354.1","0.12","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C10 H10 Cl2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0968","0.0811","","","0.2208","0.2298","","","","","","1.089","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240509","10.5864","0.0011","4.3468","0.0005","15.0822","0.0014","90","","90.518","0.008","90","","694.01","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","1.54184","CuKα","","0.0564","0.0506","","","0.137","0.1498","","","","","","1.116","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240510","4.3789","0.0003","8.5332","0.0007","9.9405","0.0006","90","","95.16","0.006","90","","369.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C10 H10 Br2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0611","0.057","","","0.155","0.1573","","","","","","1.063","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240511","18.8403","0.0015","4.2335","0.0003","15.3364","0.0012","90","","95.068","0.003","90","","1218.46","0.16","273","2","273","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O10 Pb3 Sb10 Se16 Sr8 -","2","0.5","","Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang","Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response","CrystEngComm","2020","","","","","10.1039/D0CE00084A","","","0.71073","MoKα","","0.0572","0.0375","","","0.0868","0.0978","","","","","","1.046","","","","has coordinates","252036","2020-10-21","18:00:00",""
"7240512","11.2749","0.0009","24.769","0.002","14.9058","0.0012","90","","92.691","0.002","90","","4158.1","0.6","273","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H83 N25 Na4 O37 S4 -","- C63 H83 N25 Na4 O37 S4 -","- C126 H166 N50 Na8 O74 S8 -","2","0.5","","Liu, Mei; Shi, Lulu; Li, Hui","A cucurbit[6]uril-based supramolecular assembly as a highly sensitive and quickly responsive luminescent sensor for the detection of fluoroquinolones antibiotics in simulated wastewater","CrystEngComm","2020","","","","","10.1039/D0CE00603C","","","0.71073","MoKα","","0.1138","0.0927","","","0.2203","0.2325","","","","","","1.076","","","","has coordinates,has disorder","252037","2020-10-21","18:00:00",""
"7240534","21.457","0.002","14.4489","0.0015","7.37","0.0008","90","","90.013","0.002","90","","2284.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F N4 O6 -","- C24 H27 F N4 O6 -","- C96 H108 F4 N16 O24 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0652","0.0486","","","0.1247","0.1339","","","","","","1.054","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240535","9.121","0.0007","27.264","0.002","10.3393","0.0008","90","","93.365","0.001","90","","2566.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28.33 F N3 O10.17 -","- C24 H28.334 F N3 O10.167 -","- C96 H113.336 F4 N12 O40.668 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0612","0.043","","","0.0973","0.106","","","","","","1.03","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240536","7.897","0.0002","14.3744","0.0003","15.1386","0.0003","77.442","0.002","79.666","0.002","88.939","0.002","1649.76","0.07","300","0.1","300","0.1","","","","","","","","5","P 1","P 1","1","guanidinium ethoxysulfonate","guanidinium ethoxysulfonate","","- C3 H11 N3 O4 S -","- C3 H11 N3 O4 S -","- C24 H88 N24 O32 S8 -","8","8","","Szafrański, Marek; Jarek, Marcin","Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate","CrystEngComm","2020","","","","","10.1039/D0CE00565G","","","0.71073","MoKα","","0.0777","0.0618","","","0.1709","0.1914","","","","","","1.029","","","","has coordinates,has disorder","252070","2020-10-21","18:00:00",""
"7240537","9.6088","0.0007","14.6537","0.0011","16.9619","0.0014","95.852","0.001","106.511","0.001","107.938","0.001","2131","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl Eu N4 O12 -","- C36 H30 Cl Eu N4 O12 -","- C72 H60 Cl2 Eu2 N8 O24 -","2","1","","Liu, Jian-Jun; Que, Qi-Tao; Liu, Dan; Suo, Hongbo; Liu, Jiaming; Xia, Shu-Biao","A multifunction photochromic metal-organic framework with Lewis acid sites for selective amines and anion sensing","CrystEngComm","2020","","","","","10.1039/D0CE00560F","","","0.71073","MoKα","","0.0456","0.0393","","","0.1088","0.1129","","","","","","1.047","","","","has coordinates","252071","2020-10-21","18:00:00",""
"7240538","9.2897","0.0002","9.4735","0.0002","13.3937","0.0003","94.505","0.002","95.182","0.002","95.941","0.002","1163","0.04","130","2","130.1","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl Li3 N8 O2 W -","- C16 H8 Cl Li3 N8 O2 W -","- C32 H16 Cl2 Li6 N16 O4 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","0.71073","MoKα","","0.0428","0.0356","","","0.089","0.0929","","","","","","1.117","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240539","9.2411","0.0003","9.5189","0.0003","13.394","0.0004","94.706","0.003","96.181","0.003","96.111","0.003","1159.48","0.06","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Li2 N8 O W -","- C16 H8 Li2 N8 O W -","- C32 H16 Li4 N16 O2 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","1.54184","CuKα","","0.0424","0.0401","","","0.1096","0.1116","","","","","","1.049","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240540","11.0411","0.0004","16.8624","0.0007","28.2059","0.0007","90","","90","","90","","5251.4","0.3","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C50 H36 Cl8 I4 N4 -","- C50 H36 Cl8 I4 N4 -","- C200 H144 Cl32 I16 N16 -","4","0.5","","Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan","A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture","CrystEngComm","2020","","","","","10.1039/D0CE00627K","","","0.71073","MoKα","","0.0144","0.014","","","0.0319","0.0323","","","","","","1.038","","","","has coordinates,has disorder","252073","2020-10-21","18:00:00",""
"7240546","7.1246","0.0003","10.0327","0.0004","29.6291","0.0014","90","","90","","90","","2117.86","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-fluorophenyl)-1H-benzimidazole","2-(2-fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54187","CuKα","","0.1422","0.0944","","","0.1417","0.1583","","","","","","1.261","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240547","7.007","0.003","9.936","0.003","32.745","0.003","90","","90","","90","","2279.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-Bromophenyl)-1H-benzimidazole","2-(2-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54178","CuKα","","0.0692","0.0629","","","0.1377","0.1418","","","","","","1.169","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240548","12.6755","0.0016","9.6559","0.0018","9.7645","0.0015","90","","111.638","0.009","90","","1110.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","meta-bromo-benzimidazole","2-(3-bromophenyl)-1H-benzo[d]imidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71073","MoKα","","0.1142","0.0832","","","0.1344","0.1543","","","","","","1.063","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240549","12.5894","0.001","9.5051","0.0008","9.7495","0.0007","90","","111.933","0.008","90","","1082.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-Chlorophenyl)-1H-benzimidazole","2-(3-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71075","MoKα","","0.1044","0.0706","","","0.1056","0.1155","","","","","","1.184","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240550","10.4024","0.0003","15.8557","0.0005","12.7928","0.0004","90","","97.894","0.002","90","","2090.02","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F3 I O3 P S -","- C20 H17 F3 I O3 P S -","- C80 H68 F12 I4 O12 P4 S4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.032","0.0258","","","0.0562","0.0591","","","","","","1.069","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240551","18.3265","0.0006","13.069","0.0003","18.5735","0.0006","90","","119.538","0.004","90","","3870.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 I2 P2 Pt -","- C38 H34 Cl4 I2 P2 Pt -","- C152 H136 Cl16 I8 P8 Pt4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0534","0.0456","","","0.0944","0.0976","","","","","","1.182","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240552","10.8208","0.0005","12.0593","0.0006","14.2648","0.0007","109.418","0.004","92.227","0.004","97.782","0.004","1732.36","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","1","0.5","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0378","0.0308","","","0.0663","0.0708","","","","","","1.045","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240564","8.3651","0.0006","9.9433","0.0007","27.584","0.002","90","","90","","90","","2294.3","0.3","100","2","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(bis(/m2-beta-Alanine)-lithium perchlotate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C48 H112 Cl8 Li8 N16 O64 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0403","0.0358","","","0.0835","0.086","","","","","","1.178","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240565","24.143","0.003","5.0111","0.0007","14.528","0.002","90","","125.825","0.003","90","","1425.1","0.3","100","2","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(/m-3-beta-Alanine-lithium perchlorate)","","- C3 H7 Cl Li N O6 -","- C3 H7 Cl Li N O6 -","- C24 H56 Cl8 Li8 N8 O48 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0306","0.0276","","","0.0706","0.0727","","","","","","1.109","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240566","4.9667","0.0006","8.441","0.0011","13.941","0.0018","90","","95.899","0.004","90","","581.37","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-(bis(/m-2-beta-Alanine)-lithium perchlorate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C12 H28 Cl2 Li2 N4 O16 -","2","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0264","0.0258","","","0.0644","0.0648","","","","","","1.081","","","","has coordinates,has disorder","252267","2020-10-21","18:00:00",""
"7240567","14.625","0.0012","16.5741","0.0014","16.2669","0.0014","90","","107.071","0.003","90","","3769.3","0.6","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H98 N16 Ni2 O13 V4 -","- C56 H98 N16 Ni2 O13 V4 -","- C112 H196 N32 Ni4 O26 V8 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1794","0.0755","","","0.1968","0.2369","","","","","","0.853","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240568","11.876","0.0009","12.2282","0.0011","17.4796","0.0014","90","","101.696","0.003","90","","2485.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N8 Ni2 O38 V10 -","- C20 H54 N8 Ni2 O38 V10 -","- C40 H108 N16 Ni4 O76 V20 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1328","0.0856","","","0.2204","0.2432","","","","","","0.996","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240569","19.4747","0.0016","9.2565","0.0008","14.0833","0.0012","90","","106.177","0.002","90","","2438.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H50 N4 Ni2 O42 V10 -","- C12 H50 N4 Ni2 O42 V10 -","- C24 H100 N8 Ni4 O84 V20 -","2","0.25","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.0744","0.0544","","","0.1546","0.172","","","","","","1.105","","","","has coordinates,has disorder","252294","2020-10-21","18:00:00",""
"7240570","23.2258","0.0013","13.1165","0.0006","27.3081","0.0015","90","","141.282","0.003","90","","5203.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N6 O7.5 -","- C26 H19.5 Cd N6 O7.5 -","- C208 H156 Cd8 N48 O60 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0543","0.0383","","","0.0749","0.0829","","","","","","0.942","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240571","27.3745","0.0002","27.3745","0.0002","21.5185","0.0003","90","","90","","120","","13964.8","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H27 Cd N5 O5 -","- C24 H20 Cd N4 O4 -","- C432 H360 Cd18 N72 O72 -","18","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0447","0.0401","","","0.1031","0.1056","","","","","","1.054","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240572","15.9688","0.0012","13.5758","0.0011","24.2054","0.0019","90","","96.245","0.001","90","","5216.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cd N6 O6 -","- C27 H18 Cd N6 O4 -","- C216 H144 Cd8 N48 O32 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0773","0.0435","","","0.1106","0.1263","","","","","","0.826","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240573","16.1586","0.0006","13.6399","0.0006","24.0329","0.0008","90","","95.622","0.003","90","","5271.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N7 O8 -","- C26 H15 Cd N7 O6 -","- C208 H120 Cd8 N56 O48 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0494","0.0427","","","0.1377","0.1447","","","","","","1.062","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240574","23.0883","0.0006","23.0883","0.0006","47.6538","0.0017","90","","90","","120","","21999.5","1.1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H12 Cd N4 O4 -","- C20 H12 Cd N4 O4 -","- C720 H432 Cd36 N144 O144 -","36","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.1259","0.0597","","","0.1317","0.1576","","","","","","0.862","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240575","15.6834","0.0005","13.4629","0.0004","23.9857","0.0009","90","","95.29","0.003","90","","5042.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O5.5 -","- C26 H18 Cd N6 O5.5 -","- C208 H144 Cd8 N48 O44 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54184","CuKα","","0.0389","0.0326","","","0.0919","0.0997","","","","","","0.809","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240576","10.5292","0.0009","11.1315","0.001","15.3249","0.0014","73.201","0.003","78.789","0.003","77.578","0.002","1662.4","0.3","","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cu N6 O9 -","- C22 H23 Cu N6 O9 -","- C44 H46 Cu2 N12 O18 -","2","1","","I., Mantasha; Shahid, M.; Saleh, Hatem A. M.; Qasem, Khalil M. A.; Ahmad, Musheer","A novel sustainable metal organic framework as the ultimate aqueous phase sensor for natural hazards: detection of nitrobenzene and F− at the ppb level and rapid and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE00356E","","","0.71073","MoKα","","0.077","0.0567","","","0.1612","0.1761","","","","","","1.1396","","","","has coordinates","252296","2020-10-21","18:00:00",""
"7240577","16.8829","0.0011","35.023","0.002","15.955","0.001","90","","91.019","0.001","90","","9432.5","1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C80.21 H81.43 N19 O22.43 Ru S6 -","- C80.212 H81.424 N19 O22.424 Ru S6 -","- C320.848 H325.696 N76 O89.696 Ru4 S24 -","4","0.5","","Handke, Marcel; Wu, Yang; Li, Yuantao; Hu, Chunhua T.; Ward, Michael D.","Encapsulation of the [Ru(bpy)3]2+ luminophore in a unique hydrogen-bonded host framework","CrystEngComm","2020","","","","","10.1039/D0CE00680G","","","0.71073","MoKα","","0.0943","0.0827","","","0.2861","0.3128","","","","","","1.753","","","","has coordinates,has disorder","252297","2020-10-21","18:00:00",""
"7240583","4.9726","0.0002","14.6836","0.0005","14.4255","0.0005","90","","98.154","0.004","90","","1042.64","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H17 N5 O4 Se -","- C24 H17 N5 O4 Se -","- C48 H34 N10 O8 Se2 -","2","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","x-ray","1.54184","CuKα","","0.0447","0.0422","","","0.1088","0.1106","","","","","","1.099","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240584","12.652","0.003","7.525","0.0015","34.367","0.007","90","","90","","90","","3272","1.2","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N4 O4 Se -","- C19 H12 N4 O4 Se -","- C152 H96 N32 O32 Se8 -","8","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","","0.82656","Synchrotron","","0.0758","0.0601","","","0.1641","0.1802","","","","","","1.037","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240586","12.4021","0.0012","12.3286","0.0012","13.1324","0.0013","90","","105.544","0.001","90","","1934.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu N7 O8 -","- C17 H15 Cu N7 O8 -","- C68 H60 Cu4 N28 O32 -","4","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.036","0.0288","","","0.0772","0.083","","","","","","1.001","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240587","10.272","0.003","15.184","0.004","16.2","0.004","100.009","0.003","99.61","0.003","108.045","0.003","2299.2","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N14 O18 -","- C42 H34 Cu2 N14 O18 -","- C84 H68 Cu4 N28 O36 -","2","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.0942","0.0546","","","0.1336","0.1587","","","","","","1.011","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240588","7.2353","0.0005","11.8726","0.001","14.19","0.001","108.038","0.007","100.678","0.006","101.982","0.007","1092.21","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","1","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0768","0.0498","","","0.1313","0.1754","","","","","","1.033","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240589","7.6965","0.0005","17.3729","0.0011","17.6113","0.0011","90","","95.011","0.004","90","","2345.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 N4 O12 Zn -","- C54 H42 N4 O12 Zn -","- C108 H84 N8 O24 Zn2 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0641","0.0404","","","0.1183","0.1297","","","","","","1.053","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240590","7.5973","0.0005","17.7923","0.0012","17.7217","0.0012","90","","92.451","0.004","90","","2393.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cd N4 O12 -","- C54 H42 Cd N4 O12 -","- C108 H84 Cd2 N8 O24 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0658","0.0439","","","0.1166","0.1257","","","","","","1.044","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240598","9.7632","0.0018","7.9567","0.0015","12.92","0.003","90","","106.11","0.02","90","","964.2","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Eu2 O15 -","- C15 H18 Eu2 O15 -","- C30 H36 Eu4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.055","0.0595","","","","","","1.071","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240599","13.802","0.003","7.5145","0.0003","23.844","0.006","90","","148","0.06","90","","1310","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Eu O7 -","- C12 H11 Eu O7 -","- C48 H44 Eu4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0281","0.0213","","","0.0443","0.047","","","","","","1.062","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240600","9.7575","0.0009","7.9696","0.0007","12.8428","0.0015","90","","106.131","0.011","90","","959.38","0.17","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 O15 Tb2 -","- C15 H18 O15 Tb2 -","- C30 H36 O30 Tb4 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.0709","0.0613","","","0.1448","0.1534","","","","","","1.087","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240601","13.758","0.003","7.4103","0.0002","23.889","0.005","90","","148.21","0.05","90","","1283","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Dy O7 -","- C12 H11 Dy O7 -","- C48 H44 Dy4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.022","0.0182","","","0.0417","0.0433","","","","","","1.094","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240602","13.79","0.008","7.4571","0.0008","23.894","0.014","90","","148.12","0.15","90","","1298","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O7 Tb -","- C12 H11 O7 Tb -","- C48 H44 O28 Tb4 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0957","0.0759","","","0.185","0.2067","","","","","","1.068","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240603","9.759","0.002","7.9677","0.0016","12.79","0.003","90","","106.22","0.03","90","","954.9","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Dy2 O15 -","- C15 H18 Dy2 O15 -","- C30 H36 Dy4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.11","0.0963","","","0.2124","0.2233","","","","","","1.076","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240604","7.597","0.003","9.73","0.004","37.763","0.014","84.846","0.009","86.089","0.008","88.219","0.009","2772.8","1.9","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C123 H210 O6 -","- C123 H210 O6 -","- C123 H210 O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.0729","0.0461","","","0.0903","0.0964","","","","","","0.907","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240605","10.7439","0.0005","13.6989","0.0006","38.1228","0.0019","90","","93.002","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Gallic acid cocrystal","","- C123 H206 O9 -","- C123 H206 O9 -","- C246 H412 O18 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1117","0.0897","","","0.2458","0.2775","","","","","","1.053","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240606","9.439","0.002","7.5391","0.0016","39.635","0.008","90","","95.216","0.006","90","","2808.8","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30.5 H54 O2.5 -","- C30.5 H54 O2.5 -","- C122 H216 O10 -","4","2","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3086","0.0446","","","0.0582","0.092","","","","","","0.743","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240607","7.581","0.002","9.702","0.003","36.973","0.009","82.962","0.005","86.112","0.005","89.74","0.005","2692.7","1.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C121 H209 N O6 -","- C121 H209 N O6 -","- C121 H209 N O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1676","0.1056","","","0.1872","0.2302","","","","","","1.314","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240608","77.42","0.02","7.6086","0.0018","9.924","0.003","90","","90.948","0.007","90","","5845","3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H109 O8 -","- C64 H109 O8 -","- C256 H436 O32 -","4","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.158","0.0602","","","0.0934","0.1154","","","","","","0.881","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240609","26.373","0.003","7.4971","0.0007","27.183","0.003","90","","92.569","0.006","90","","5369.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Propionic acid hydrate cocrystal form II","","- C29.75 H52 O1.75 -","- C29.75 H52 O1.75 -","- C238 H416 O14 -","8","4","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3448","0.1012","","","0.1599","0.2356","","","","","","0.95","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240610","6.92433","0.00019","7.46902","0.00018","26.5125","0.0006","90","","90.785","0.002","90","","1371.04","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl3 Ga N2 -","- C12 H10 Cl3 Ga N2 -","- C48 H40 Cl12 Ga4 N8 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0357","0.0279","","","0.0688","0.0705","","","","","","0.965","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240611","6.51299","0.00012","11.7499","0.0003","12.0716","0.0002","90","","90.8579","0.0017","90","","923.7","0.03","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Ga2 N2 -","- C12 H10 Cl6 Ga2 N2 -","- C24 H20 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0251","0.0217","","","0.0557","0.0567","","","","","","0.985","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240612","6.5757","0.0003","11.6146","0.0004","12.0455","0.0004","90","","91.122","0.003","90","","919.79","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Al2 Cl6 N2 -","- C12 H10 Al2 Cl6 N2 -","- C24 H20 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0321","0.0239","","","0.0566","0.0583","","","","","","0.917","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240613","11.9814","0.0004","28.3968","0.0008","26.3183","0.0008","90","","100.16","0.003","90","","8814","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Cl12 Ga4 N14 -","- C84 H70 Cl12 Ga4 N14 -","- C336 H280 Cl48 Ga16 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0608","0.0311","","","0.0547","0.0609","","","","","","0.849","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240614","6.60794","0.00017","8.51954","0.00013","18.026","0.0003","90","","96.55","0.002","90","","1008.18","0.03","123","0.14","123","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Al2 Br6 N2 -","- C12 H10 Al2 Br6 N2 -","- C24 H20 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54184","CuKα","","0.0188","0.0174","","","0.038","0.0386","","","","","","1.119","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240615","6.56821","0.00014","8.50459","0.00016","18.1626","0.0004","90","","96.7181","0.0019","90","","1007.6","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0298","0.0243","","","0.0612","0.0627","","","","","","0.987","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240616","6.51032","0.00016","12.2531","0.0003","12.4379","0.0003","90","","90.552","0.002","90","","992.15","0.04","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alpha-polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0441","0.0332","","","0.0885","0.0927","","","","","","0.999","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240617","11.6526","0.0003","14.1736","0.0003","16.6431","0.0004","106.005","0.002","97.842","0.002","91.731","0.002","2610.86","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Al4 Br12 N6 -","- C36 H30 Al4 Br12 N6 -","- C72 H60 Al8 Br24 N12 -","2","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0329","0.0288","","","0.0709","0.0736","","","","","","1.026","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240618","13.0928","0.0007","14.0601","0.001","14.3775","0.0007","95.542","0.005","96.105","0.004","106.587","0.005","2499.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0878","0.0709","","","0.1927","0.2078","","","","","","1.088","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240619","7.5187","0.0003","8.8335","0.0003","11.7115","0.0005","79.201","0.003","84.35","0.003","76.67","0.003","742.23","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0232","0.0198","","","0.0487","0.0494","","","","","","0.967","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240620","23.547","0.0007","12.0475","0.0003","8.0311","0.0002","90","","90","","90","","2278.28","0.1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Br N2 -","- C12 H11 Br N2 -","- C96 H88 Br8 N16 -","8","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0583","0.0355","","","0.0698","0.0737","","","","","","1.006","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240621","11.3604","0.0004","13.2572","0.0004","14.17","0.0004","82.947","0.002","89.402","0.002","73.162","0.003","2026.44","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0565","0.047","","","0.122","0.1254","","","","","","1.061","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240622","12.0435","0.0002","28.2798","0.0005","26.113","0.0004","90","","99.9744","0.0017","90","","8759.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Al4 Cl12 N14 -","- C84 H70 Al4 Cl12 N14 -","- C336 H280 Al16 Cl48 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0535","0.0367","","","0.0814","0.0853","","","","","","0.963","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240628","11.7767","0.0007","13.3468","0.0011","19.3209","0.0011","81.5632","0.0016","79.7047","0.0011","72.2832","0.0009","2832.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Dy K N4 O2 -","- C60 H88 Dy K N4 O2 -","- C120 H176 Dy2 K2 N8 O4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0319","0.0266","","","0.0573","0.0593","","","","","","1.032","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240629","10.9833","0.0001","27.4951","0.0003","20.5502","0.0002","90","","98.202","0.001","90","","6142.41","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Dy K N4 O2 -","- C64 H96 Dy K N4 O2 -","- C256 H384 Dy4 K4 N16 O8 -","4","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0544","0.0313","","","0.062","0.0693","","","","","","1.017","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240630","5.478","0.0015","5.2268","0.0015","12.296","0.003","90","","99.28","0.05","90","","347.46","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,5-Dinitrophenol","2,5-Dinitrophenol","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C12 H8 N4 O10 -","2","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1033","0.0771","","","0.1764","0.2074","","","","","","1.108","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240631","30.03","0.009","3.728","0.0009","21.08","0.008","90","","90","","90","","2359.9","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 2,5-dinitrophenolate","2-aminopyridinium 2,5-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C88 H80 N32 O40 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1611","0.0811","","","0.1027","0.1283","","","","","","1.019","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240632","16.428","0.003","6.0198","0.0012","14.604","0.003","90","","100.02","0.02","90","","1422.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","","- C13 H11 Cl4 N O -","- C13 H11 Cl4 N O -","- C52 H44 Cl16 N4 O4 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0174","0.0174","","","0.0483","0.0483","","","","","","1.064","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240633","7.673","0.0018","15.707","0.003","24.892","0.005","90","","90","","90","","3000","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","","- C14 H13 Cl4 N O -","- C14 H13 Cl4 N O -","- C112 H104 Cl32 N8 O8 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0484","0.0406","","","0.0796","0.0836","","","","","","1.059","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240634","13.249","0.005","10.91","0.004","11.697","0.004","90","","90","","90","","1690.8","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1131","0.0671","","","0.1349","0.1643","","","","","","1.006","","","","has coordinates,has disorder","252661","2020-10-21","18:00:00",""
"7240654","7.2002","0.0014","17.795","0.004","8.1862","0.0016","90","","109.91","0.03","90","","986.2","0.4","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N14 Na2 O8 -","- C6 H20 N14 Na2 O8 -","- C12 H40 N28 Na4 O16 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0649","0.0553","","","0.147","0.1764","","","","","","1.193","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240655","5.1663","0.001","10.327","0.002","7.6607","0.0015","90","","105.39","0.03","90","","394.06","0.14","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C10 H14 N14 O4 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.045","0.0443","","","0.0939","0.0943","","","","","","1.224","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240656","3.717","0.002","12.459","0.006","7.693","0.004","90","","95.512","0.007","90","","354.6","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","1","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0419","0.0327","","","0.0672","0.07","","","","","","1","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240657","3.9924","0.0008","12.192","0.002","7.7023","0.0015","90","","95.44","0.03","90","","373.22","0.12","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H4 K N7 O -","- C4 H4 K N7 O -","- C8 H8 K2 N14 O2 -","2","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0281","0.0279","","","0.0736","0.0738","","","","","","1.042","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240658","8.0784","0.0016","7.1115","0.0014","13.838","0.003","90","","98.05","0.03","90","","787.2","0.3","163","2","163.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N7 Na O2 -","- C4 H6 N7 Na O2 -","- C16 H24 N28 Na4 O8 -","4","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0458","0.0433","","","0.1081","0.1105","","","","","","1.106","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240660","7.5903","0.0004","9.0809","0.0006","9.7444","0.0005","99.238","0.005","107.382","0.005","101.179","0.005","611.46","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","CHZ_PA","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C26 H18 Cl2 N4 O8 -","2","1","","Roy, Parag; Ghosh, Animesh","Mechanochemical cocrystallization to improve the physicochemical properties of chlorzoxazone","CrystEngComm","2020","","","","","10.1039/D0CE00635A","","x-ray","0.71073","MoKα","","0.0417","0.0359","","","0.099","0.1043","","","","","","1.048","","","","has coordinates","253021","2020-10-21","18:00:00",""
"7240661","8.229","0.006","14.862","0.01","13.319","0.01","90","","92.921","0.014","90","","1627","2","100","3","100","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H4 K2 O18 S3 U2 -","- H4 K2 O18 S3 U2 -","- H16 K8 O72 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0354","0.0238","","","0.0431","0.0458","","","","","","0.985","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240662","11.1337","0.0015","10.0463","0.0013","14.697","0.002","90","","101.28","0.003","90","","1612.1","0.4","296","3","296","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H7 K O19 S3 U2 -","- H7 K O19 S3 U2 -","- H28 K4 O76 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0139","0.0126","","","0.0298","0.0302","","","","","","1.118","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240663","9.8901","0.0003","16.1105","0.0005","17.2862","0.0005","90","","98.038","0.002","90","","2727.23","0.14","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3.5 O29 S5 U3 -","- K3.5 O29 S5 U3 -","- K14 O116 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0626","0.0358","","","0.0724","0.081","","","","","","1.036","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240664","17.3051","0.0002","12.5613","0.0001","17.324","0.0002","90","","96.577","0.001","90","","3741.01","0.07","293","3","293","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K16 O168 S24 U16 -","8","2","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","x-ray","0.71073","MoKα","","0.0258","0.0212","","","0.0523","0.0543","","","","","","1.034","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240665","11.465","0.007","12.605","0.007","12.944","0.008","90","","90","","90","","1870.6","1.9","296","3","296","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K8 O84 S12 U8 -","4","0.5","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0452","0.0291","","","0.056","0.0619","","","","","","1.064","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240666","12.774","0.004","11.339","0.003","20.734","0.006","90","","92.088","0.006","90","","3001.2","1.5","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3 O34 S5 U3 -","- K3 O34 S5 U3 -","- K12 O136 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0328","0.0252","","","0.053","0.0553","","","","","","1.045","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240667","14.6085","0.0005","12.275","0.0004","10.4746","0.0004","90","","90","","90","","1878.3","0.11","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H28 N6 -","- C19 H28 N6 -","- C76 H112 N24 -","4","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0915","0.0795","","","0.1938","0.2022","","","","","","1.176","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240668","14.7113","0.0003","10.5414","0.0002","24.3585","0.0006","90","","90","","90","","3777.46","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H31 N5 O -","- C18 H31 N5 O -","- C144 H248 N40 O8 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0484","0.047","","","0.1181","0.1199","","","","","","1.095","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240669","5.7373","0.0003","30.1441","0.0016","6.1322","0.0003","90","","109.223","0.003","90","","1001.41","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H34 N6 -","- C19 H34 N6 -","- C38 H68 N12 -","2","0.5","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.1088","0.0768","","","0.2032","0.2351","","","","","","1.062","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240670","15.07","0.0003","10.3551","0.0002","24.4042","0.0005","90","","90","","90","","3808.31","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N5 -","- C19 H33 N5 -","- C152 H264 N40 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0505","0.0451","","","0.1125","0.1173","","","","","","1.065","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240681","27.761","0.003","15.927","0.002","13.7189","0.0017","90","","116.167","0.002","90","","5444.1","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ca0.5 O10 Zn -","- C19 H12 Ca0.5 O10 Zn -","- C152 H96 Ca4 O80 Zn8 -","8","1","","Ji, Wen-Juan; Liu, Gui-Fang; Wang, Binqiang; Lu, Wenbo; Zhai, Quan-Guo","Design of a heterometallic Zn/Ca-MOF decorated by alkoxy on the pore surface exhibiting high fluorescence sensing performance for Fe3+ and Cr2O72−","CrystEngComm","2020","","","","","10.1039/D0CE00457J","","","0.71073","MoKα","","0.0373","0.0342","","","0.1263","0.1292","","","","","","1.205","","","","has coordinates","253118","2020-10-21","18:00:00",""
"7240704","3.95554","0.00005","3.95554","","8.24623","0.00018","90","","90","","90","","129.023","0.003","293","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- As Co F Sm -","- As Co F Sm -","- As2 Co2 F2 Sm2 -","2","0.125","","Lin, Dan; Luo, Qinxin; Zheng, Hui; Tang, Lulu; Zhan, Wenqi; Tang, Kaibin","A new oxygen-free cobalt-based compound SmCoAsF with multiple magnetic transitions","CrystEngComm","2020","","","","","10.1039/D0CE00448K","powder diffraction","","1.54182","CuKα","","0.0443","0.0253","","","0.0186","0.0298","","","1.26","","","","","","","has coordinates","253139","2020-10-21","18:00:00",""
"7240705","11.369","0.006","13.041","0.007","18.032","0.01","90","","91.795","0.006","90","","2672","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cd N4 O4 -","- C33 H30 Cd N4 O4 -","- C132 H120 Cd4 N16 O16 -","4","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0299","0.0247","","","0.0726","0.0756","","","","","","1.061","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240706","10.578","0.004","10.841","0.005","11.676","0.005","100.906","0.006","100.575","0.006","91.284","0.006","1290.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cd N5 O6 -","- C29 H27 Cd N5 O6 -","- C58 H54 Cd2 N10 O12 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.1075","0.0751","","","0.1795","0.2042","","","","","","1.012","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240707","10.349","0.002","11.096","0.002","13.621","0.003","111.687","0.003","92.716","0.003","95.37","0.003","1441.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32.7 Cd N4 O5.35 -","- C30 H30 Cd N4 O4 -","- C60 H60 Cd2 N8 O8 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0511","0.0361","","","0.0922","0.1081","","","","","","0.932","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240712","7.528","0.0015","10.29","0.002","31.911","0.006","90.86","0.03","91.05","0.03","98.76","0.03","2442.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd N10 O7 -","- C44 H34 Cd N10 O7 -","- C88 H68 Cd2 N20 O14 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0502","0.0441","","","0.1309","0.135","","","","","","1.007","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240713","10.952","0.002","10.209","0.002","19.122","0.006","90","","110.35","0.03","90","","2004.6","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 Cd N10 O8 -","- C46 H28 Cd N10 O8 -","- C92 H56 Cd2 N20 O16 -","2","0.5","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0404","0.0348","","","0.1197","0.1244","","","","","","0.979","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240714","32.636","0.007","10.132","0.002","19.09","0.004","90","","124.35","0.03","90","","5212","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N5 O5 Zn -","- C26 H17 N5 O5 Zn -","- C208 H136 N40 O40 Zn8 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.053","0.0381","","","0.0931","0.0987","","","","","","0.968","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240715","23.202","0.005","10.079","0.002","20.756","0.004","90","","107.98","0.03","90","","4616.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mn N6 O4 -","- C26 H18 Mn N6 O4 -","- C208 H144 Mn8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0587","0.0427","","","0.145","0.1571","","","","","","1.093","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240716","7.5418","0.0015","10.112","0.002","31.857","0.006","89.12","0.03","89.16","0.03","81.85","0.03","2404.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 O7 Zn -","- C44 H34 N10 O7 Zn -","- C88 H68 N20 O14 Zn2 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1179","0.0663","","","0.1642","0.184","","","","","","0.92","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240717","10.441","0.002","9.816","0.002","20.601","0.004","90","","93.04","0.03","90","","2108.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 N5 O4 Zn -","- C23 H14 N5 O4 Zn -","- C92 H56 N20 O16 Zn4 -","4","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0316","0.027","","","0.0728","0.0746","","","","","","0.963","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240718","8.7507","0.0018","9.6193","0.0019","29.783","0.006","83.82","0.03","87.73","0.03","86.26","0.03","2485.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Cu N10 O9 -","- C46 H32 Cu N10 O9 -","- C92 H64 Cu2 N20 O18 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1135","0.0598","","","0.1433","0.1612","","","","","","0.89","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240719","23.049","0.005","10.196","0.002","21.45","0.004","90","","107.36","0.03","90","","4811.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N6 O6 -","- C26 H16 Cd N6 O6 -","- C208 H128 Cd8 N48 O48 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0443","0.0349","","","0.1023","0.1135","","","","","","0.965","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240720","23.214","0.005","10.138","0.002","20.831","0.004","90","","108.02","0.03","90","","4662","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N5 O5 -","- C26 H17 Cd N5 O5 -","- C208 H136 Cd8 N40 O40 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.044","0.0354","","","0.129","0.1378","","","","","","1.055","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240721","23.391","0.005","10.103","0.002","20.736","0.004","90","","107.76","0.03","90","","4666.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O4 -","- C26 H18 Cd N6 O4 -","- C208 H144 Cd8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0552","0.0435","","","0.1172","0.1232","","","","","","1.03","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240722","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.35307","synchrotron","","0.0334","0.0334","","0.0207","0.0207","","","","1.6975","1.6975","1.6975","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240723","4.5076","0.0001","7.7027","0.0001","15.9229","0.0003","90","","90","","90","","552.854","0.018","15","2","15","2","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0212","0.0212","","0.0213","0.0213","","","","2.9351","2.9351","2.9351","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240724","5.8331","0.0001","5.9439","0.0001","18.792","0.0004","90","","91.305","0.001","90","","651.38","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium hydrogen maleate dihydrate","","","- C4 H7 Li O6 -","- C4 H7 Li O6 -","- C16 H28 Li4 O24 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.016","0.016","","","","2.4666","2.4666","2.4666","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240725","5.9224","0.0004","6.2512","0.0003","11.2141","0.0007","103.935","0.007","91.49","0.006","99.823","0.007","396.07","0.04","15","2","15","2","","","","","","","","4","P -1","-P 1","2","Sodium hydrogen maleate trihydrate","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0185","0.0185","","0.0194","0.0194","","","","3.8153","3.8153","3.8153","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240726","7.8528","0.0001","5.5451","0.0001","10.9223","0.0002","90","","96.394","0.007","90","","472.648","0.015","16.5","1","16.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0195","0.0195","","0.0171","0.0171","","","","2.5401","2.5401","2.5401","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240727","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.354","synchrotron","","0.0204","0.0204","","0.0213","0.0213","","","","0.8688","0.8688","0.8688","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240728","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0159","0.0159","","0.0168","0.0168","","","","3.0663","3.0663","3.0663","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240729","9.9819","0.0006","7.1284","0.0004","11.8414","0.0007","90","","114.07","0.002","90","","769.31","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C24 H30 N14 O14 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0637","0.0522","","","0.1176","0.1263","","","","","","1.147","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240730","12.462","0.002","6.7318","0.0011","18.747","0.003","90","","107.065","0.005","90","","1503.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C48 H60 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0979","0.0519","","","0.133","0.1764","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240731","21.997","0.008","6.972","0.002","20.77","0.007","90","","90","","90","","3185.4","1.8","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","triethylamine picric acid salt","","","- C12 H18 N4 O7 -","- C12 H18 N4 O7 -","- C96 H144 N32 O56 -","8","2","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1399","0.077","","","0.1751","0.2159","","","","","","1.004","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7240732","6.9949","0.0009","12.5916","0.0019","19.969","0.003","90","","90","","90","","1758.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triamine picric acid salt, 1:1","","","- C12 H21 N7 O7 -","- C12 H21 N7 O7 -","- C48 H84 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1804","0.0686","","","0.1592","0.1967","","","","","","0.893","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240733","8.4362","0.0009","12.5183","0.0014","18.3788","0.0019","72.109","0.003","83.298","0.003","72.28","0.003","1758.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triamine picric acid salt, 1:3","","","- C25 H31 N13 O22 -","- C25 H31 N13 O22 -","- C50 H62 N26 O44 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0888","0.0592","","","0.1603","0.1774","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240734","14.1276","0.0006","10.6978","0.0005","24.1392","0.0011","90","","106.656","0.001","90","","3495.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triamine picric acid salt, 1:3","","","- C24 H31 N13 O23 -","- C24 H31 N13 O23 -","- C96 H124 N52 O92 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0685","0.0495","","","0.1475","0.1682","","","","","","1.124","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240735","10.21","0.002","12.081","0.002","13.653","0.003","109.44","0.03","100.57","0.03","90.58","0.03","1556.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Anisole)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C20 H16 N3 O -","- C20 H16 N3 O -","- C80 H64 N12 O4 -","4","2","","Bazzi, Fadwat; Danke, Alexander J.; Lawson, Daniel B.; Manoli, Maria; Leitus, Gregory; Koutentis, Panayiotis Andreas; Constantinides, Christos P.","1-(2-Methoxyphenyl)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl: A Tricky “Structure-to-Magnetism” Correlation Aided by DFT Calculations","CrystEngComm","2020","","","","","10.1039/D0CE00669F","","","0.71073","MoKα","","0.0663","0.0571","","","0.1474","0.1533","","","","","","1.069","","","","has coordinates","253190","2020-10-21","18:00:00",""
"7240761","6.4218","0.0006","14.8289","0.0014","20.2173","0.0019","90","","96.132","0.002","90","","1914.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-3,4-xylenol'","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0753","0.0486","","","0.1095","0.1226","","","","","","1.023","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7240762","6.3007","0.0003","20.7627","0.0011","29.9858","0.0014","90","","95.787","0.002","90","","3902.7","0.3","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","'4,4-isopropylidene bisphenol-2,3-xylenol-3,5-xylenol'","","- C23 H26 O3 -","- C23 H26 O3 -","- C184 H208 O24 -","8","4","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.044","0.0412","","","0.1009","0.1025","","","","","","1.048","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240763","30.65","0.002","6.3048","0.0005","39.852","0.003","90","","91.359","0.002","90","","7698.9","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","'4,4-isopropylidene bisphenol-2,3-xylenol-2,6-xylenol'","","- C46 H52 O6 -","- C46 H52 O6 -","- C368 H416 O48 -","8","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0417","0.0387","","","0.0996","0.1021","","","","","","1.036","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240764","21.058","0.0009","15.538","0.0006","21.249","0.001","90","","98.481","0.001","90","","6876.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-4,4'-(9-fluorenylidene) bisphenol-2,6-xylenol-3,5-xylenol'","","- C88 H78 O9 -","- C88 H78 O9 -","- C352 H312 O36 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0894","0.05","","","0.111","0.13","","","","","","1.019","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240765","10.8245","0.0004","12.1894","0.0003","13.0365","0.0004","81.94","0.002","69.924","0.003","84.811","0.002","1597.96","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 La N2 O8 -","- C29 H45 La N2 O8 -","- C58 H90 La2 N4 O16 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0329","0.0262","","","0.0601","0.0623","","","","","","1.038","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240766","10.8521","0.0003","12.2651","0.0004","13.0496","0.0004","79.711","0.003","69.4","0.003","84.672","0.003","1598.87","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","1","0.5","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0467","0.0343","","","0.0611","0.0634","","","","","","0.999","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240767","10.8462","0.0004","12.2567","0.0004","13.0356","0.0004","80.342","0.003","69.642","0.003","84.833","0.003","1600.72","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N2 O8 Pr -","- C29 H45 N2 O8 Pr -","- C58 H90 N4 O16 Pr2 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0312","0.0237","","","0.0469","0.0484","","","","","","1.046","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240769","12.4441","0.0002","12.4441","0.0002","19.0521","0.0005","90","","90","","90","","2950.32","0.1","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C21 H15 Er8 Na4 O50 -","- C20.25 H14 Er8 Na4 O49 -","- C40.5 H28 Er16 Na8 O98 -","2","0.125","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0225","0.0199","","","0.0417","0.0425","","","","","","1.095","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240770","12.5792","0.0004","12.5792","0.0004","19.2471","0.0008","90","","90","","90","","3045.59","0.19","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Na2 O27.5 Tb4 -","- C10.25 H4 Na2 O27.5 Tb4 -","- C41 H16 Na8 O110 Tb16 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0439","","","0.1022","0.105","","","","","","1.255","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240771","12.5277","0.0003","12.5277","0.0003","19.1754","0.0008","90","","90","","90","","3009.45","0.16","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Dy4 Na2 O27.5 -","- C10.25 H4 Dy4 Na2 O27.5 -","- C41 H16 Dy16 Na8 O110 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.039","0.0309","","","0.0789","0.0824","","","","","","1.104","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240777","12.7076","0.0004","26.0229","0.0009","11.0787","0.0004","90","","100.187","0.002","90","","3605.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O9 U -","- C16 H16 O9 U -","- C128 H128 O72 U8 -","8","2","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0776","0.0412","","","0.0681","0.0774","","","","","","1.013","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240778","9.4519","0.0004","28.081","0.0011","13.1169","0.0005","90","","103.668","0.003","90","","3382.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O12 U -","- C32 H38 N2 O12 U -","- C128 H152 N8 O48 U4 -","4","1","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0714","0.0447","","","0.1062","0.1172","","","","","","1.024","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240779","9.6028","0.0002","12.4495","0.0003","20.1988","0.0005","79.199","0.001","83.798","0.001","84.017","0.001","2349.37","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0555","0.0329","","","0.0613","0.067","","","","","","1.009","","","","has coordinates,has disorder","253431","2020-10-21","18:00:00",""
"7240780","17.282","0.01","7.629","0.004","41.71","0.02","90","","98.812","0.017","90","","5434","5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pterostilbene","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","2","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Frontera, Antonio","A Late Appearing Polymorph of Nutraceutical Pterostilbene","CrystEngComm","2020","","","","","10.1039/D0CE00837K","","","0.71073","MoKα","","0.0746","0.0489","","","0.1029","0.1173","","","","","","1.063","","","","has coordinates","253464","2020-10-21","18:00:00",""
"7240786","10.303","0.0003","19.0612","0.0005","11.2798","0.0003","90","","98.019","0.002","90","","2193.55","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","m-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0473","0.0353","","","0.0999","0.1058","","","","","","1.054","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240787","10.2892","0.0002","18.7516","0.0003","11.5557","0.0002","90","","99.881","0.002","90","","2196.47","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","p-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0463","0.0393","","","0.121","0.1258","","","","","","1.051","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240788","8.7422","0.0003","12.136","0.0007","12.4046","0.0005","60.769","0.005","89.027","0.003","86.065","0.004","1145.57","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Penta-fluorobenzoate-tin-porphrin","","","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","1","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0441","0.0428","","","0.1104","0.1116","","","","","","1.059","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240789","20.36","0.007","20.36","0.007","25.461","0.011","90","","90","","120","","9140","6","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C162 H288 Cl18 N12 O78 -","- C240 H276 N12 O60 -","- C240 H276 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2802","0.1895","","","0.5185","0.5845","","","","","","1.997","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240790","14.996","0.005","15.49","0.005","19.749","0.006","69.675","0.004","70.062","0.004","82.109","0.004","4043","2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C162 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.1666","0.1181","","","0.348","0.3865","","","","","","1.053","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240791","15.062","0.003","15.485","0.003","19.841","0.004","69.18","0.002","69.948","0.002","81.943","0.002","4062.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2152","0.1462","","","0.4338","0.4689","","","","","","1.527","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240792","20.144","0.005","20.144","0.005","25.29","0.007","90","","90","","120","","8887","4","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C165 H234 Cl18 N12 O48 -","- C282 H324 N12 O60 -","- C282 H324 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2126","0.1692","","","0.5562","0.6065","","","","","","2.862","","","","has coordinates,has disorder","253506","2020-10-21","18:00:00",""
"7240793","15.207","0.009","15.514","0.009","19.951","0.012","69.268","0.007","69.788","0.008","81.759","0.008","4130","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H244 Cl6 N10 O36 -","- C114 H124 N4 O28 -","- C114 H124 N4 O28 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2182","0.1379","","","0.4028","0.4565","","","","","","1.268","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240794","7.0087","0.0001","12.3981","0.0002","15.1304","0.0003","90","","90","","90","","1314.75","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-fluorouracil L-phenylalanine","5-Fluoropyrimidine-2,4(1H,3H)-dione 2-ammonio-3-phenylpropanoate","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Wang, Lin-Lin; Wang, Ling-Yang; Yu, Yueming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Cocrystallization of 5-fluorouracil and L-phenylalanine: The first zwitterionic cocrystal of 5-fluorouracil with amino acid exhibiting the perfected in vitro/vivo pharmaceutical properties","CrystEngComm","2020","","","","","10.1039/D0CE00713G","","","1.54184","CuKα","","0.0344","0.032","","","0.0754","0.0775","","","","","","1.059","","","","has coordinates","253543","2020-10-21","18:00:00",""
"7240799","5.301","0.0002","10.0099","0.0003","15.2097","0.0006","90","","96.882","0.001","90","","801.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C32 H28 Co2 N8 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.0284","0.0246","","","0.0642","0.0662","","","","","","0.989","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240800","12.3609","0.0015","9.9856","0.0011","12.3887","0.0014","90","","90","","90","","1529.1","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.1192","0.113","","","0.289","0.2917","","","","","","1.496","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240801","5.305","0.0003","9.988","0.0004","15.082","0.0007","90","","97.362","0.002","90","","792.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 Ni O6 -","- C16 H14 N4 Ni O6 -","- C32 H28 N8 Ni2 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.0254","0.0223","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240802","10.1061","0.0008","9.8617","0.0007","14.7053","0.0008","90","","94.716","0.002","90","","1460.62","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.1269","0.0868","","","0.1254","0.1355","","","","","","1.201","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240803","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","253589","2020-10-21","18:00:00",""
"7240804","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","253589","2020-10-21","18:00:00",""
"7240805","18.9975","0.0009","9.0067","0.0004","10.9126","0.0006","90","","106.275","0.002","90","","1792.38","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl2 N3 O3 -","- C17 H17 Cl2 N3 O3 -","- C68 H68 Cl8 N12 O12 -","4","1","","da Silva, Cecilia; Owoyemi, Bolaji Charles Dayo; Alvarenga-Jr, Benedito R.; Alvarez, Natalia; Ellena, Javier A.; Carneiro, Renato Lajarim","Synthesis and solid-state characterization of diclofenac imidazolium monohydrate: an imidazolium pharmaceutical ionic liquid","CrystEngComm","2020","","","","","10.1039/D0CE00723D","","x-ray","0.71073","MoKα","","0.0739","0.0473","","","0.1183","0.1351","","","","","","1.026","","","","has coordinates,has disorder","253590","2020-10-21","18:00:00",""
"7240813","3.7755","0.00019","13.5798","0.0007","28.5543","0.0014","89.503","0.004","88.612","0.004","86.402","0.004","1460.64","0.13","295","1","295","1","","","","","","","","5","P 1","P 1","1","","2-Chloro-4-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","8","","Medviediev, Volodymyr; Shishkina, Svitlana V.; Ribalka, Andrii; Zaręba, Jan Kazimierz; Drozd, Marek; Daszkiewicz, Marek","Revisiting 2-chloro-4-nitroaniline: analysis of intricate supramolecular ordering of a triclinic polymorph featuring high Z value and strong second harmonic generation","CrystEngComm","2020","","","","","10.1039/D0CE00582G","","x-ray","0.71073","MoKα","","0.1238","0.0773","","","0.169","0.1877","","","","","","1.05","","","","has coordinates","253647","2020-10-21","18:00:00",""
"7240815","10.004","0.006","4.688","0.003","11.919","0.007","90","","93.2393","0.001","90","","558.1","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C26 H18 Cl4 N2 O2 -","2","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0576","0.0504","","","0.1187","0.1208","","","","","","1.265","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240816","6.14","0.005","6.848","0.006","27.39","0.02","90","","95.26","0.02","90","","1146.8","1.6","93","2","93","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0518","0.0447","","","0.0967","0.1002","","","","","","1.113","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240817","20.427","0.006","4.5728","0.0013","12.101","0.004","90","","92.301","0.005","90","","1129.4","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-5-chlorobenzylidene)-4-chloroaniline","N-(5?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0395","0.0333","","","0.0774","0.083","","","","","","1.072","","","","has coordinates","253704","2020-10-21","18:00:00",""
"7240818","5.1775","0.0007","17.585","0.002","16.534","0.002","90","","95.783","0.002","90","","1497.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dicyclohexylammonium formate hydrate","","","- C13 H29 N O4 -","- C13 H29 N O4 -","- C52 H116 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0693","0.0555","","","0.1317","0.1397","","","","","","1.063","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240819","5.5919","0.001","10.782","0.002","15.271","0.003","93.444","0.003","93.522","0.003","94.507","0.003","914.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dicyclohexylammonium phenylacetate","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C40 H62 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0534","0.0432","","","0.1076","0.1166","","","","","","1.058","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240820","19.216","0.003","8.1118","0.0009","16.8987","0.0019","90","","94.372","0.004","90","","2626.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dicyclohexylammonium formate","","","- C13 H25 N O2 -","- C13 H25 N O2 -","- C104 H200 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0553","0.046","","","0.1201","0.1266","","","","","","1.026","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240821","5.727","0.0007","9.4987","0.0012","10.431","0.0013","95.286","0.002","90.783","0.002","103.644","0.002","548.71","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","dicyclohexylammonium diphenylacetete","","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C26 H35 N O2 -","1","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0464","0.044","","","0.1161","0.1188","","","","","","0.952","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240822","21.61","0.003","8.5291","0.0011","21.825","0.003","90","","90","","90","","4022.6","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","dibutylammonium diphenylacetate","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C176 H248 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.1038","0.0745","","","0.1342","0.1464","","","","","","1.057","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240823","8.557","0.0014","9.8287","0.0016","12.292","0.002","77.147","0.003","75.054","0.003","83.311","0.003","971.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dihexylammonium phenylacetate","","","- C20 H35 N O2 -","- C20 H35 N O2 -","- C40 H70 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0865","0.062","","","0.1324","0.1426","","","","","","1.09","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240824","8.3067","0.0007","16.4097","0.0013","11.4319","0.0009","90","","96.388","0.001","90","","1548.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylammonium diphenylacetate","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0537","0.0463","","","0.1098","0.1147","","","","","","1.032","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240825","9.7066","0.0006","8.1806","0.0004","10.371","0.0006","90","","114.199","0.007","90","","751.15","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 Cu N4 O6 -","- C11 H20 Cu N4 O6 -","- C22 H40 Cu2 N8 O12 -","2","1","","Smokrovic, Kristina; Đilović, Ivica; Matkovic-Calogovic, Dubravka","The affinity of copper(II) ions towards L-amino acids in the solid-state: a simple route towards mixed complexes","CrystEngComm","2020","","","","","10.1039/D0CE00687D","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0781","0.0815","","","","","","1.027","","","","has coordinates,has disorder","253706","2020-10-21","18:00:00",""
"7240829","14.5204","0.0011","18.1195","0.0013","26.172","0.0019","90","","104.071","0.001","90","","6679.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H96 Eu6 N22 O42 -","- C114 H84 Eu6 N18 O42 -","- C228 H168 Eu12 N36 O84 -","2","0.5","","Sun, Ou; Chen, Peng; Li, Hongfeng; Gao, Ting; Yan, Pengfei","Wheel-like {Ln6} luminescent lanthanide complexes covering visible and near-infrared domains","CrystEngComm","2020","","","","","10.1039/D0CE00652A","","","0.71073","MoKα","","0.0557","0.0354","","","0.0757","0.0838","","","","","","1.077","","","","has coordinates,has disorder","254043","2020-10-21","18:00:00",""
"7240830","26.836","0.008","16.005","0.004","19.919","0.01","90","","128.163","0.006","90","","6727","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H73 N5 Ni3 O31 -","- C54 H58 N4 Ni3 O24 -","- C216 H232 N16 Ni12 O96 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1003","0.0569","","","0.1347","0.154","","","","","","1.019","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240831","10.0734","0.0003","10.7439","0.0003","13.9706","0.0004","80.34","0.001","79.996","0.001","64.717","0.001","1338.92","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0792","0.0485","","","0.0878","0.1039","","","","","","1.066","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240832","26.833","0.003","16.349","0.0018","20.321","0.002","90","","130.554","0.003","90","","6773.3","1.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H77 N5 O34 Zn3 -","- C54 H58 N4 O24 Zn3 -","- C216 H232 N16 O96 Zn12 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1082","0.0761","","","0.249","0.2794","","","","","","1.048","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240833","13.466","0.0006","13.607","0.0006","13.7158","0.0006","97.812","0.002","103.166","0.002","94.058","0.002","2410.88","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0996","0.0577","","","0.1301","0.1517","","","","","","1.016","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240835","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","254099","2020-10-21","18:00:00",""
"7240836","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","254099","2020-10-21","18:00:00",""
"7240837","21.633","0.015","12.456","0.009","19.74","0.014","90","","105.3","0.015","90","","5131","6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0902","0.0414","","","0.088","0.1093","","","","","","1.012","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240838","21.326","0.003","12.351","0.002","19.529","0.003","90","","105.919","0.003","90","","4946.6","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0497","0.0373","","","0.0873","0.0935","","","","","","1.048","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240839","10.3003","0.0011","10.3003","0.0011","10.3003","0.0011","90","","90","","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf K2 O12 P3 Tb -","- Hf K2 O12 P3 Tb -","- Hf4 K8 O48 P12 Tb4 -","4","0.333333","","Zhao, Dan; Zhang, Shi-Rui; Zhang, Rui-Juan; Fan, Yan-Ping; Liu, Bao-Zhong; Shi, Lin-Ying","Energy transfer, multi-colour emission and high thermal stability behaviour of K2Tb1−xEuxHf(PO4)3 with langbeinite-type structure","CrystEngComm","2020","","","","","10.1039/D0CE00322K","","","0.71073","MoKα","","0.0407","0.0345","","","0.0629","0.0658","","","","","","1.056","","","","has coordinates","254166","2020-10-21","18:00:00",""
"7240845","16.609","0.005","16.984","0.005","13.707","0.004","90","","110.014","0.005","90","","3633.1","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cu2 N4 O16 -","- C28 H42 Cu2 N4 O16 -","- C112 H168 Cu8 N16 O64 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0865","0.0753","","","0.2505","0.2668","","","","","","1.156","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240846","14.6945","0.0017","17.218","0.002","25.968","0.003","90","","94.777","0.004","90","","6547.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 Cu4 N8 O26 -","- C56 H72 Cu4 N8 O26 -","- C224 H288 Cu16 N32 O104 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0882","0.0481","","","0.1011","0.1142","","","","","","1.042","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240847","9.0471","0.0007","12.6873","0.0009","13.3662","0.0009","89.49","0.003","73.453","0.003","75.303","0.003","1419.24","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","1","0.5","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0445","0.0321","","","0.0821","0.1016","","","","","","1.004","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240848","36.971","0.015","4.3814","0.0015","11.483","0.005","90","","106.352","0.005","90","","1784.8","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 F6 P S6 -","- C14 H10 F6 P S6 -","- C56 H40 F24 P4 S24 -","4","0.5","","Kadoya, Tomofumi; Sugiura, Shiori; Tahara, Keishiro; Higashino, Toshiki; Kubo, Kazuya; Sasaki, Takahiko; Takimiya, Kazuo; Yamada, Jun-ichi","Two-dimensional radical-cationic Mott insulator based on an electron donor containing neither tetrathiafulvalene nor tetrathiapentalene skeleton","CrystEngComm","2020","","","","","10.1039/D0CE00878H","","","0.71075","MoKα","","0.1112","0.1069","","","0.324","0.3406","","","","","","1.615","","","","has coordinates","254262","2020-10-21","18:00:00",""
"7240861","10.3837","0.0018","11.2946","0.0019","15.743","0.003","88.521","0.003","89.943","0.003","68.863","0.003","1721.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl N6 O9 S2 -","- C29 H35 Cl N6 O9 S2 -","- C58 H70 Cl2 N12 O18 S4 -","2","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.0909","0.0634","","","0.1434","0.1578","","","","","","1.034","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240862","12.625","0.002","32.16","0.006","9.2409","0.0017","90","","95.599","0.004","90","","3734.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl N9 O9 -","- C34 H42 Cl N9 O9 -","- C136 H168 Cl4 N36 O36 -","4","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.1483","0.0946","","","0.1537","0.17","","","","","","1.152","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240864","7.468","0.0002","15.0583","0.0004","11.4401","0.0003","90","","102.293","0.001","90","","1257","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA_110K","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.016","0.0149","","","0.05","0.0506","","","","","","1.29","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240865","7.5183","0.0001","15.1179","0.0002","11.7005","0.0002","90","","103.661","0.001","90","","1292.27","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0225","0.0174","","","0.0501","0.0708","","","","","","1.12","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240866","12.4001","0.0002","32.1958","0.0008","9.1787","0.0002","90","","90","","90","","3664.42","0.13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H6 Cu I N2 S -","- C6 H6 Cu I N2 S -","- C96 H96 Cu16 I16 N32 S16 -","16","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0183","0.0168","","","0.0399","0.0405","","","","","","1.001","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240867","7.4048","0.0003","15.117","0.0004","11.639","0.0005","90","","102.61","0.001","90","","1271.42","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)","","","- C6 H6 Cu I N2 O0.33 S -","- C6 H6 Cu I N2 O0.3333 S -","- C24 H24 Cu4 I4 N8 O1.3332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0756","0.0494","","","0.1741","0.1939","","","","","","1.174","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240868","7.4081","0.0005","14.9049","0.0012","11.2422","0.0008","90","","101.787","0.004","90","","1215.15","0.16","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)_110K","","","- C7.33 H6 Cu I N2 O0.33 S -","- C7.3323 H6 Cu I N2 O0.333 S -","- C29.3292 H24 Cu4 I4 N8 O1.332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0809","0.0515","","","0.1388","0.1548","","","","","","1.077","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240869","7.3155","0.0015","10.622","0.007","10.658","0.005","90","","90","","90","","828.2","0.7","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0371","0.037","","","0.1029","0.103","","","","","","1.104","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240870","8.211","0.0004","11.111","0.0005","15.3198","0.0007","90","","90","","90","","1397.66","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.042","","","","0.053","","","","","","2.1","","","","has coordinates","288642","2024-01-03","13:53:25",""
"7240871","8.1964","0.0003","11.0921","0.0004","15.3137","0.0006","90","","90","","90","","1392.25","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.041","","","","0.061","","","","","","2.136","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240872","8.2038","0.0004","11.0818","0.0006","15.3787","0.0003","90","","90","","90","","1398.12","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","1.54178","CuKα","","0.042","0.034","","","","0.03","","","","","","1.746","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240873","7.316","0.003","10.616","0.005","10.65","0.003","90","","90","","90","","827.1","0.6","215","2","215","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0579","0.0575","","","0.1345","0.135","","","","","","1.076","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240874","8.19","0.03","11.054","0.002","15.31","0.06","90","","90","","90","","1386","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.46","synchrotron","","0.034","0.028","","","","0.055","","","","","","2.353","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240875","8.2041","0.001","11.1047","0.0014","15.302","0.002","90","","90","","90","","1394.1","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.066","0.036","","","","0.046","","","","","","1.581","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240876","8.217","0.0004","11.1158","0.0005","15.3418","0.0007","90","","90","","90","","1401.3","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.061","0.042","","","","0.06","","","","","","1.924","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240877","8.2601","0.0014","11.1144","0.0017","15.41","0.003","90","","90","","90","","1414.7","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.065","0.037","","","","0.048","","","","","","1.783","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240878","19.2433","0.0019","6.5415","0.0007","20.661","0.002","90","","108.965","0.006","90","","2459.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-one","","- C27 H36 N2 O0.88 -","- C27 H36 N2 O0.883 -","- C108 H144 N8 O3.532 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0686","0.0491","","","0.1192","0.1327","","","","","","1.109","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240879","8.21","0.004","11.1142","0.0017","15.372","0.004","90","","90","","90","","1402.7","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6358","synchrotron","","0.024","0.023","","","","0.056","","","","","","2.345","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240880","8.174","0.004","11.08","0.006","15.295","0.01","90","","90","","90","","1385.2","1.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.077","0.048","","","","0.084","","","","","","1.372","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240881","8.184","0.009","11.092","0.009","15.296","0.008","90","","90","","90","","1389","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.056","0.039","","","","0.065","","","","","","1.433","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240882","19.2069","0.001","6.5424","0.0003","20.5081","0.0012","90","","109.174","0.003","90","","2434.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-one","","- C27 H36 N2 O -","- C27 H36 N2 O -","- C108 H144 N8 O4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0615","0.0503","","","0.1148","0.1196","","","","","","1.154","","","","has coordinates","254329","2020-10-21","18:00:00",""
"7240883","7.6784","0.0003","10.7811","0.0004","9.5685","0.0004","90","","97.899","0.002","90","","784.58","0.05","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (2-aminophenyl)carbamate","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0644","0.044","","","0.1169","0.1318","","","","","","1.043","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240884","5.4498","0.0009","9.1487","0.0016","15.499","0.003","90","","98.193","0.003","90","","764.9","0.2","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(hydroxyimino)naphthalen-2(1H)-one","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C40 H28 N4 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0786","0.0481","","","0.1272","0.1497","","","","","","1.018","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240885","8.1552","0.0006","10.3206","0.0008","14.38","0.0012","90","","90","","90","","1210.32","0.16","105","2","104.71","","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-o,o'-azodioxytoluene","1, 2-bis(2mehtylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0896","0.0497","","","0.1099","0.1302","","","","","","1.026","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240886","15.176","0.0013","10.4211","0.0006","15.5264","0.0012","90","","90","0.007","90","","2455.5","0.3","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cis-o,o'-azodioxytoluene","Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.126","0.0522","","","0.098","0.1121","","","","","","0.826","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240887","7.0409","0.0007","7.1841","0.0008","7.186","0.0009","61.943","0.007","65.01","0.007","64.427","0.007","278.14","0.06","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","1","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0829","0.0656","","","0.1965","0.212","","","","","","1.059","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240888","5.6472","0.0008","14.1772","0.0019","14.269","0.0018","93.043","0.008","92.475","0.008","93.34","0.008","1137.6","0.3","100","2","100.11","","","","","","","","","4","P -1","-P 1","2","","N-(2-nitrosophenyl)pivalamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","2","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.1361","0.0571","","","0.1116","0.1386","","","","","","1.002","","","","has coordinates,has disorder","254370","2020-10-21","18:00:00",""
"7240897","7.679","0.004","24.128","0.011","9.496","0.004","90","","113.85","","90","","1609.2","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.1155","0.071","","","0.1618","0.1783","","","","","","0.964","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240898","14.8116","0.0008","8.7686","0.0004","14.8164","0.0007","90","","90","","90","","1924.31","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.0829","0.0477","","","0.1149","0.1428","","","","","","0.845","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240899","8.4111","0.0009","10.3053","0.0011","11.1643","0.0012","67.827","0.002","85.4","0.003","79.241","0.003","880.34","0.16","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","1","0.5","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0671","0.0654","","","0.2656","0.2666","","","","","","1.094","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240900","14.8016","0.0014","15.8098","0.0016","16.8878","0.0014","90","","111.541","0.005","90","","3675.9","0.6","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 F6 K O5 P -","- C13 H21 F6 K O5 P -","- C104 H168 F48 K8 O40 P8 -","8","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0971","0.0623","","","0.1662","0.1877","","","","","","1.075","","","","has coordinates,has disorder","254422","2020-10-21","18:00:00",""
"7240901","9.6204","0.0004","23.8722","0.0011","9.3051","0.0004","90","","117.294","0.002","90","","1899.09","0.15","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl0.5 Cs0.5 O5 -","- C13 H21 Cl0.5 Cs0.5 O5 -","- C52 H84 Cl2 Cs2 O20 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0877","0.0725","","","0.2103","0.2211","","","","","","1.072","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240902","10.0468","0.0003","7.6582","0.0002","9.6509","0.0002","90","","117.188","0.003","90","","660.5","0.03","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O4 -","- C12 H12 Br2 O4 -","- C24 H24 Br4 O8 -","2","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.0396","0.0323","","","0.0744","0.0794","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240903","10.62","0.002","8.42","0.0017","17.35","0.004","90","","107.64","0.03","90","","1478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 O5 Zn -","- C18 H10 N2 O5 Zn -","- C72 H40 N8 O20 Zn4 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","synchrotron","","0.0897","0.0545","","","0.1228","0.1394","","","","","","1.013","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240904","9.424","0.0019","9.502","0.0019","20.94","0.004","90","","90","","90","","1875.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","Synchrotron","","0.0439","0.0429","","","0.1121","0.1128","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240905","10.4109","0.0006","11.1279","0.0007","12.1125","0.001","101.58","0.007","98.222","0.006","117.146","0.006","1178.13","0.17","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","1","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.1085","0.0947","","","0.1949","0.2013","","","","","","1.268","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240908","9.3908","0.0003","10.6494","0.0004","10.7328","0.0003","99.224","0.003","111.029","0.003","91.986","0.003","983.95","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl4 N4 Zn -","- C16 H18 Cl4 N4 Zn -","- C32 H36 Cl8 N8 Zn2 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.049","0.0375","","","0.0984","0.1062","","","","","","1.046","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240909","8.3872","0.0005","14.4806","0.0007","13.0923","0.0009","90","","102.917","0.002","90","","1549.84","0.16","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H15 Cl2 N3 O2 Pd -","- C13 H15 Cl2 N3 O2 Pd -","- C52 H60 Cl8 N12 O8 Pd4 -","4","0.5","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.0398","0.0284","","","0.0577","0.0626","","","","","","1.114","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240910","43.5467","0.0012","24.859","0.0007","4.3222","0.0001","90","","90","","90","","4678.9","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H9 Cl3 N2 Pb -","- C8 H9 Cl3 N2 Pb -","- C128 H144 Cl48 N32 Pb16 -","16","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.026","0.0204","","","0.0304","0.0318","","","","","","0.875","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240911","5.3119","0.0003","14.3087","0.0006","15.0594","0.0009","90","","90.017","0.005","90","","1144.61","0.11","248.56","0.1","248.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0529","0.0376","","","0.0655","0.0703","","","","","","1.045","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240912","4.303","0.0012","14.824","0.005","25.84","0.008","90","","90","","90","","1648.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Hg I3 N2 O -","- C12 H9 Hg I3 N2 O -","- C48 H36 Hg4 I12 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0666","0.042","","","0.0778","0.0872","","","","","","1.042","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240913","14.2615","0.0006","8.9996","0.0003","29.6078","0.0013","90","","90","","90","","3800.1","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H28 I2 N4 O6 Zn -","- C38 H28 I2 N4 O6 Zn -","- C152 H112 I8 N16 O24 Zn4 -","4","0.5","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.71073","MoKα","","0.0382","0.0315","","","0.0726","0.0764","","","","","","1.024","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240914","9.3872","0.0005","11.4744","0.0004","13.2529","0.0006","107.591","0.004","110.075","0.005","94.437","0.004","1251.66","0.12","291.88","0.1","291.88","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag I2 N5 O5 -","- C24 H18 Ag I2 N5 O5 -","- C48 H36 Ag2 I4 N10 O10 -","2","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0336","0.0295","","","0.0638","0.0677","","","","","","1.033","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240915","9.7184","0.0002","27.7576","0.0006","9.8707","0.0002","90","","91.04","0.002","90","","2662.28","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br2 I2 N4 O2 Zn -","- C24 H18 Br2 I2 N4 O2 Zn -","- C96 H72 Br8 I8 N16 O8 Zn4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","1.5418","CuKα","","0.0521","0.05","","","0.1287","0.1304","","","","","","1.071","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240921","6.45","0.005","6.733","0.007","10.676","0.007","84.312","0.014","78.116","0.014","68.519","0.014","422","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 N6 Na O5 -","- C2 H8 N6 Na O5 -","- C4 H16 N12 Na2 O10 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.1132","0.0752","","","0.1961","0.2183","","","","","","0.979","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240922","3.752","0.002","7.27","0.004","12.06","0.007","106.15","0.009","90.023","0.01","98.389","0.008","312.3","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 N6 Na O3 -","- C2 H4 N6 Na O3 -","- C4 H8 N12 Na2 O6 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.0727","0.0517","","","0.1178","0.1301","","","","","","1.034","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240923","10.7235","0.001","10.3296","0.0009","19.0512","0.0016","90","","102.018","0.003","90","","2064","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Fe N6 O4 -","- C20 H23 Fe N6 O4 -","- C80 H92 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0531","0.0373","","","0.093","0.1049","","","","","","1.084","","","","has coordinates","254492","2020-10-21","18:00:00",""
"7240924","11.572","0.012","14.317","0.014","15.366","0.016","90","","112","0.03","90","","2360","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Fe N6 O4 -","- C22 H27 Fe N6 O4 -","- C88 H108 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0382","0.0324","","","0.097","0.1077","","","","","","1.108","","","","has coordinates,has disorder","254492","2020-10-21","18:00:00",""
"7240925","8.908","0.002","14.714","0.004","15.163","0.006","90","","97.85","0.03","90","","1968.8","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43.48 N4 O18.74 S2 U2 -","- C24 H42 N4 O18.74 S2 U2 -","- C48 H84 N8 O37.48 S4 U4 -","2","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0353","0.0285","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240926","5.6982","0.0004","6.3203","0.0005","11.4318","0.0008","90.47","0.006","93.651","0.005","99.991","0.006","404.56","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","1","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0452","0.0349","","","0.0884","0.0925","","","","","","1.032","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240927","8.3086","0.0004","27.7798","0.0016","15.6569","0.0007","90","","104.734","0.003","90","","3495","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 N4 S2 -","- C14 H18 Cl2 N4 S2 -","- C112 H144 Cl16 N32 S16 -","8","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.1188","0.067","","","0.1438","0.1703","","","","","","1.039","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240928","9.294","0.0002","13.8446","0.0004","16.1184","0.0004","90","","93.793","0.002","90","","2069.44","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C64 H104 N16 O16 S8 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0847","0.0894","","","","","","1.062","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240929","12.442","0.006","7.5206","0.0015","29.72","0.01","90","","96.79","0.03","90","","2761.4","1.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl N4 O8 S2 U -","- C20 H27 Cl N4 O8 S2 U -","- C80 H108 Cl4 N16 O32 S8 U4 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0485","0.0464","","","0.1172","0.1185","","","","","","1.175","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240930","5.7358","0.0002","7.1947","0.0002","13.6224","0.0004","102.176","0.002","92.789","0.002","108.166","0.003","518.15","0.03","299.57","0.1","299.57","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O7 -","- C10 H10 O7 -","- C20 H20 O14 -","2","1","","Yang, Jinyue; Wang, Na; Tian, Beiqian; Ji, Xiongtao; Hou, Baohong; Wang, Ting; Huang, Xin; Su, Junquan; Yang, Zhanao; Hao, Hongxun","Multicomponent supramolecular assembly of p-hydroxybenzoic acid and malonic acid: a deep insight into the formation of selective cocrystal","CrystEngComm","2020","","","","","10.1039/D0CE00833H","","x-ray","0.71073","MoKα","","0.0797","0.0476","","","0.1101","0.1338","","","","","","1.021","","","","has coordinates","254494","2020-10-21","18:00:00",""
"7240931","17.212","0.003","17.212","0.003","17.168","0.0018","90","","90","","90","","5086.1","1.4","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","wuf-30","","","- C48 H30 O16 Zn4 -","- C48 H29.5 O16 Zn4 -","- C96 H59 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","x-ray","1.54178","CuKα","","0.1844","0.1781","","","0.4773","0.4859","","","","","","1.925","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240932","17.1805","0.0003","17.1805","0.0003","17.1173","0.0006","90","","90","","90","","5052.5","0.2","292","","292","","","","","","","","","4","P -4 21 m","P -4 2ab","113","WUF-31","","","- C48 H36 O16 Zn4 -","- C47.5 H35.5 O16 Zn4 -","- C95 H71 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","","1.54178","CuKα","","0.0835","0.0741","","","0.2323","0.2433","","","","","","1.166","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240933","8.1544","0.0002","16.2063","0.0003","17.1591","0.0004","90","","98.034","0.002","90","","2245.36","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N4 O6 -","- C24 H22 Co N4 O6 -","- C96 H88 Co4 N16 O24 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0595","0.0439","","","0.1069","0.1162","","","","","","1.036","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240934","8.2964","0.0005","17.7264","0.0011","16.8112","0.001","90","","98.546","0.002","90","","2444.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H24 N4 O7 Zn -","- C96 H96 N16 O28 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.1293","0.1147","","","0.1962","0.2009","","","","","","1.393","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240935","8.3011","0.0006","17.7049","0.0014","16.8818","0.0014","90","","99.892","0.002","90","","2444.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Co N4 O7 -","- C24 H24 Co N4 O7 -","- C96 H96 Co4 N16 O28 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.122","0.0938","","","0.1802","0.1896","","","","","","1.229","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240936","8.1281","0.0005","16.1955","0.0012","17.1781","0.0013","90","","96.562","0.002","90","","2246.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0605","0.0499","","","0.1134","0.1183","","","","","","1.123","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240958","28.454","0.002","4.9978","0.0005","9.7968","0.0012","90","","90.999","0.009","90","","1393","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","trans-(μ-D-leucinato)(μ-L-leucinato)copper(ii)","","- C12 H24 Cu N2 O4 -","- C12 H24 Cu N2 O4 -","- C48 H96 Cu4 N8 O16 -","4","1","","Vušak, Darko; Pejić, Jelena; Jurković, Mia; Szalontai, Gábor; Sabolovic, Jasmina","Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations","CrystEngComm","2020","","","","","10.1039/D0CE00585A","","","0.7","synchrotron","","0.1216","0.0723","","","0.1641","0.1934","","","","","","1.002","","","","has coordinates","254612","2020-10-21","18:00:00",""
"7240959","24.0615","0.0008","14.0088","0.0008","10.0527","0.0005","90","","100.996","0.004","90","","3326.3","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cl Fe N6 O4 Se2 -","- C26 H36 Cl Fe N6 O4 Se2 -","- C104 H144 Cl4 Fe4 N24 O16 Se8 -","4","0.5","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.0767","0.0651","","","0.2095","0.2214","","","","","","1.156","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240960","9.866","0.009","10.754","0.009","13.6","0.012","96.95","0.02","108.18","0.02","109.27","0.02","1253.1","1.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl Fe N4 O6 -","- C24 H34 Cl Fe N4 O6 -","- C48 H68 Cl2 Fe2 N8 O12 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.1737","0.1045","","","0.2757","0.3419","","","","","","1.025","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240961","19.3334","0.001","25.6921","0.0012","15.8595","0.0013","90","","123.08","0.002","90","","6600.8","0.7","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C51.5 H67.5 Cu4 N6.5 O27.5 -","- C41 H41 Cu4 N3 O23 -","- C164 H164 Cu16 N12 O92 -","4","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.0524","0.0482","","","0.203","0.2133","","","","","","1.077","","","","has coordinates","254637","2020-10-21","18:00:00",""
"7240962","26.5456","0.0016","44.633","0.003","26.5717","0.0016","90","","90","","90","","31482","3","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C108 H147 Cl2 Cu10 N11 O56 -","- C64 H24 Cl0.75 Cu10 O44 -","- C512 H192 Cl6 Cu80 O352 -","8","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.1389","0.066","","","0.1571","0.1891","","","","","","1.096","","","","has coordinates,has disorder","254637","2020-10-21","18:00:00",""
"7240965","10.759","0.002","19.33","0.004","12.307","0.003","90","","100.26","0.03","90","","2518.6","1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C58 H74 Mg4 N6 O26 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.1944","0.1072","","","0.3159","0.3707","","","","","","1.064","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240966","22.642","0.003","9.7853","0.0012","6.8909","0.0008","90","","90","","90","","1526.7","0.3","296","2","296","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C13 H13 Ca N O5 S2 -","- C13 H13 Ca N O5 S2 -","- C52 H52 Ca4 N4 O20 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0412","0.0393","","","0.107","0.1092","","","","","","1.115","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240967","7.3261","0.0015","22.72","0.005","9.936","0.002","90","","90","","90","","1653.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 S2 Sr -","- C13 H13 N O5 S2 Sr -","- C52 H52 N4 O20 S8 Sr4 -","4","0.5","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0742","0.066","","","0.1625","0.1679","","","","","","1.243","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240968","7.1656","0.0003","10.9705","0.0004","17.5843","0.0006","90","","90","","90","","1382.31","0.09","120.01","0.1","120.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0464","0.0388","","","0.0943","0.1001","","","","","","1.04","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240969","19.7893","0.0009","3.7682","0.0001","19.7322","0.0008","90","","114.594","0.005","90","","1337.94","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0493","0.0418","","","0.1115","0.1196","","","","","","1.03","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240970","10.1657","0.0003","21.3974","0.0008","14.5383","0.0006","90","","100.455","0.004","90","","3109.9","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cd N5 O9 -","- C20 H15 Cd N5 O9 -","- C80 H60 Cd4 N20 O36 -","4","1","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.1233","0.0771","","","0.2336","0.2725","","","","","","1.025","","","","has coordinates,has disorder","254719","2020-10-21","18:00:00",""
"7240971","7.0491","0.0002","19.8236","0.0005","8.8113","0.0002","90","","107.547","0.003","90","","1173.99","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 Cd N5 O7 -","- C20 H25 Cd N5 O7 -","- C40 H50 Cd2 N10 O14 -","2","0.5","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.0277","0.0261","","","0.0694","0.0703","","","","","","1.091","","","","has coordinates","254719","2020-10-21","18:00:00",""
"7240972","6.8892","0.0002","13.9675","0.0003","24.3771","0.0006","90","","93.534","0.001","90","","2341.22","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0561","0.0401","","","0.1026","0.1112","","","","","","1.043","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240973","7.0834","0.0005","12.8271","0.0009","13.8555","0.0009","77.196","0.002","85.946","0.002","81.281","0.002","1212.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C52 H38 N10 O16 -","2","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0555","0.0445","","","0.1079","0.1144","","","","","","1.014","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240974","7.8923","0.0011","18.908","0.003","15.969","0.002","90","","95.838","0.005","90","","2370.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0984","0.1022","","","","","","1.019","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240977","11.6926","0.0009","8.1121","0.0007","14.1796","0.001","90","","90","","90","","1344.96","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-amino-3-hydroxybenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0808","0.0495","","","0.1292","0.1562","","","","","","0.928","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240978","9.7014","0.0012","14.9141","0.0012","6.9582","0.0009","90","","109.984","0.014","90","","946.1","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-5-chloro-2-ethoxybenzoic acid","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.1111","0.0634","","","0.1487","0.19","","","","","","0.958","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240979","6.5218","0.001","17.636","0.002","10.0639","0.0014","90","","107.754","0.014","90","","1102.4","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","4-amino-2,3,5,6-tetrafluorobenzoic acid acetone solvate","","- C10 H9 F4 N O3 -","- C10 H9 F4 N O3 -","- C40 H36 F16 N4 O12 -","4","0.5","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.091","0.0672","","","0.1822","0.203","","","","","","1.103","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7240980","7.278","0.0006","7.533","0.0007","16.2004","0.0011","94.713","0.006","91.34","0.006","106.926","0.007","845.8","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-amino-5-chloro-2-methoxybenzoic acid","","- C8 H8 Cl N O3 -","- C8 H8 Cl N O3 -","- C32 H32 Cl4 N4 O12 -","4","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0969","0.0559","","","0.1405","0.1794","","","","","","0.935","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240981","3.7229","0.0003","11.1634","0.0008","16.9454","0.0011","90","","95.218","0.007","90","","701.34","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0607","0.0427","","","0.0912","0.1027","","","","","","1.059","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240982","8.1846","0.0007","13.5952","0.001","7.2087","0.0006","90","","109.909","0.01","90","","754.18","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2-methoxybenzoic acid","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0909","0.0532","","","0.1132","0.1382","","","","","","1.03","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240983","14.7711","0.0008","3.7877","0.0002","24.3334","0.0012","90","","107.378","0.004","90","","1299.28","0.12","150","0.1","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2-fluorobenzoic acid","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C56 H48 F8 N8 O16 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","0.71073","MoKα","","0.0409","0.0366","","","0.106","0.1098","","","","","","1.081","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240984","22.4397","0.0009","20.5326","0.0007","11.9083","0.0004","90","","105.194","0.003","90","","5294.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminobenzoic acid dioxane solvate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C216 H264 N24 O72 -","12","3","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.1292","0.0801","","","0.2062","0.2386","","","","","","1.04","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240985","4.1957","0.0002","14.9867","0.0006","11.5145","0.0005","90","","97.566","0.004","90","","717.72","0.05","100.12","0.1","100.12","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid","","- C7 H3 F4 N O2 -","- C7 H3 F4 N O2 -","- C28 H12 F16 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0332","0.0297","","","0.0844","0.0871","","","","","","1.092","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240986","7.0886","0.0002","18.8246","0.0005","12.8623","0.0004","90","","92.882","0.002","90","","1714.18","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid dioxane solvate","","- C15 H19 F4 N O6 -","- C15 H19 F4 N O6 -","- C60 H76 F16 N4 O24 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0384","0.0306","","","0.0765","0.0811","","","","","","1.021","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240987","10.7033","0.0004","8.728","0.0003","16.1405","0.0007","90","","95.802","0.004","90","","1500.1","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-3-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0748","0.0506","","","0.1278","0.1437","","","","","","1.035","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240988","7.7494","0.00014","8.12614","0.00016","22.7285","0.0004","90","","90","","90","","1431.28","0.05","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-2-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","1.54184","CuKα","","0.0284","0.0277","","","0.0732","0.0737","","","","","","1.058","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240989","5.0395","0.0002","8.2374","0.0003","20.4205","0.0007","88.805","0.002","83.313","0.002","84.487","0.002","838","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-aminobenzoic acid acetone solvate","","- C8.5 H10 N O2.5 -","- C8.5 H10 N O2.5 -","- C34 H40 N4 O10 -","4","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0411","0.0381","","","0.1079","0.1114","","","","","","1.067","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240990","18.7617","0.0008","21.4672","0.0009","20.4528","0.0008","90","","90.527","0.004","90","","8237.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TBATPHAP","","- C76 H119.79 N20 O14 -","- C76 H119.788 N20 O14 -","- C304 H479.152 N80 O56 -","4","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2122","0.0896","","","0.1741","0.2239","","","","","","1.015","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240991","8.6426","0.0003","17.2337","0.0006","18.5797","0.0003","109.028","0.003","99.333","0.002","91.867","0.003","2570.64","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ethyl acetate TPHAP","","- C42 H53 F12 N9 O10 P2 -","- C42 H53 F12 N9 O10 P2 -","- C84 H106 F24 N18 O20 P4 -","2","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","1.54184","CuKα","","0.1012","0.0663","","","0.1747","0.2018","","","","","","1.025","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240992","17.1313","0.0006","17.1313","0.0006","20.8643","0.0006","90","","90","","90","","6123.3","0.4","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","Methyl TPHAP","","- C25 H21 F12 N9 O0.5 P2 -","- C25 H21 F12 N9 O0.5 P2 -","- C200 H168 F96 N72 O4 P16 -","8","0.5","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.169","0.1137","","","0.3326","0.3747","","","","","","1.314","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240993","7.8313","0.0004","24.965","0.0013","26.4024","0.0013","75.376","0.004","84.342","0.004","88.14","0.004","4970.2","0.4","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","Methyl p-toluate TPHAP","","- C49 H39 Br2 N9 O11.9 -","- C49 H39 Br2 N9 O11.9035 -","- C196 H156 Br8 N36 O47.614 -","4","2","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2463","0.1177","","","0.2609","0.3372","","","","","","1.034","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240994","4.0787","0.0003","9.0943","0.0006","10.9148","0.0007","82.327","0.006","80.162","0.006","77.648","0.006","387.69","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","1","0.5","","Zhang, Yu; Yang, Qing Feng; Li, Xiaoping; Miao, Chengxia; Hou, Qin; Ai, Shiyun","One Cu(I)-I coordination polymer fluorescent chemosensor with amino-rich sites for nitro aromatic compounds (NACs) detection in water","CrystEngComm","2020","","","","","10.1039/D0CE00835D","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0492","0.0521","","","","","","1.044","","","","has coordinates","254821","2020-10-21","18:00:00",""
"7240995","15.3649","0.0005","10.2088","0.0004","23.5463","0.0008","90","","106.752","0.002","90","","3536.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl N5 O9 S -","- C34 H34 Cl N5 O9 S -","- C136 H136 Cl4 N20 O36 S4 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.0605","0.0421","","","0.1051","0.1154","","","","","","1.031","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240996","10.9083","0.0007","7.6817","0.0005","41.588","0.003","90","","96.132","0.004","90","","3464.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gefitinib-mefenamic acid cocrystal","","- C37 H41 Cl F N5 O6 -","- C37 H41 Cl F N5 O6 -","- C148 H164 Cl4 F4 N20 O24 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.1272","0.0908","","","0.1998","0.2177","","","","","","1.09","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240997","7.4156","0.0003","28.9261","0.0013","11.9542","0.0005","90","","98.256","0.004","90","","2537.65","0.19","122","30","122","30","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H9 F8 I4 N O -","- C23 H9 F8 I4 N O -","- C92 H36 F32 I16 N4 O4 -","4","0.5","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0404","0.0415","","","","","","1.0517","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240998","11.5999","0.0007","12.8903","0.0008","17.2206","0.001","69.005","0.005","75.36","0.005","84.308","0.005","2325.8","0.3","271","2","271","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C100 H56 F16 I8 N4 O4 -","2","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0664","0.0386","","","0.0751","0.0903","","","","","","1.026","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240999","24.648","0.001","15.7428","0.0005","19.4112","0.0005","90","","121.721","0.002","90","","6406.9","0.4","100","0.19","100","0.19","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C69 H39 F12 I6 N3 O3 -","- C69 H39 F12 I6 N3 O3 -","- C276 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0644","0.0496","","","0.1159","0.1309","","","","","","1.05","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241000","18.9947","0.0005","16.3335","0.0003","21.992","0.0005","90","","111.263","0.003","90","","6358.5","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H39 F12 I6 N3 O3 -","- C71 H39 F12 I6 N3 O3 -","- C284 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0449","0.0322","","","0.066","0.0735","","","","","","1.131","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241001","14.147","0.0005","16.6061","0.0004","18.9558","0.0005","90","","90","","90","","4453.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C200 H112 F32 I16 N8 O8 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0504","0.0378","","","0.0599","0.0655","","","","","","1.0358","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241002","17.8703","0.0005","34.1971","0.0007","17.377","0.0004","90","","114.181","0.003","90","","9687.5","0.5","292.49","0.1","292.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 F8 I4 N2 O2 -","- C52 H30 F8 I4 N2 O2 -","- C416 H240 F64 I32 N16 O16 -","8","2","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft–cavity–type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","1.54184","CuKα","","0.0964","0.0637","","","0.1593","0.1927","","","","","","1.029","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7241006","10.6078","0.0005","10.7273","0.0004","31.015","0.0011","90","","90","","90","","3529.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 N2 O3 -","- C18 H16 Cl2 N2 O3 -","- C144 H128 Cl16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0755","0.0617","","","0.1646","0.1764","","","","","","1.05","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241007","20.3062","0.0006","10.4583","0.0003","11.1201","0.0004","90","","102.196","0.003","90","","2308.26","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 I2 N2 O4 -","- C22 H24 I2 N2 O4 -","- C88 H96 I8 N8 O16 -","4","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0557","0.048","","","0.1271","0.1363","","","","","","1.041","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241008","10.6612","0.0003","20.509","0.0005","14.3063","0.0003","90","","90.046","0.002","90","","3128.08","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F2 N2 O3 -","- C18 H16 F2 N2 O3 -","- C144 H128 F16 N16 O24 -","8","2","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.07","0.0518","","","0.1452","0.1642","","","","","","1.052","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241009","10.77295","0.00012","10.79851","0.00009","31.7818","0.0004","90","","90","","90","","3697.23","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0613","0.0576","","","0.1538","0.1575","","","","","","1.079","","","","has coordinates,has disorder","254849","2020-10-21","18:00:00",""
"7241016","13.8359","0.0011","18.7145","0.0015","19.6641","0.0015","104.991","0.002","99.589","0.003","104.672","0.002","4608.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 N16 O17 P S -","- C84 H127 N16 O17 P S -","- C168 H254 N32 O34 P2 S2 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.2072","0.1055","","","0.2184","0.268","","","","","","1.014","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241017","10.3677","0.0003","11.6016","0.0003","23.4291","0.0006","90","","90","","90","","2818.1","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O4 -","- C27 H33 N7 O4 -","- C108 H132 N28 O16 -","4","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.104","0.0628","","","0.1756","0.2078","","","","","","1.021","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241018","9.4857","0.0004","17.0599","0.0007","18.6326","0.0008","64.282","0.002","80.544","0.002","87.541","0.002","2678.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H57 N13 O14 S2 -","- C52 H57 N13 O14 S2 -","- C104 H114 N26 O28 S4 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.0561","0.0502","","","0.1289","0.1355","","","","","","1.032","","","","has coordinates,has disorder","255197","2020-10-21","18:00:00",""
"7241019","9.951","0.0011","10.319","0.0012","12.614","0.0013","68.753","0.004","73.032","0.005","83.923","0.005","1154.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","1","0.5","","Guo, Runzhong; Dong, Hao; Li, Peiyuan; Sun, Yi; Wang, Haiying; Liu, Hui-Yan","A multifuctional Cd(II)-based metal−organic framework with amide groups exhibiting luminescent sensing towards multiple substances","CrystEngComm","2020","","","","","10.1039/D0CE01061H","","","0.71073","MoKα","","0.0649","0.0581","","","0.1811","0.1888","","","","","","1.221","","","","has coordinates","255228","2020-10-21","18:00:00",""
"7241020","6.6912","0.0009","20.226","0.003","10.1274","0.0013","90","","90","","90","","1370.6","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 N2 O S4 -","- C13 H8 N2 O S4 -","- C52 H32 N8 O4 S16 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0495","0.0363","","","0.0918","0.099","","","","","","1.043","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241021","9.6303","0.0005","12.2272","0.0006","17.1845","0.0008","90","","96.342","0.002","90","","2011.12","0.17","173","2","173","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","1","0.25","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.092","0.0782","","","0.1918","0.1999","","","","","","1.157","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241022","9.2529","0.0004","11.257","0.0005","17.247","0.0007","93.549","0.002","105.442","0.002","92.552","0.002","1724.8","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","1","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0315","0.0268","","","0.0658","0.0681","","","","","","1.044","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241023","26.2783","0.0008","7.3186","0.0002","25.1423","0.0007","90","","99.663","0.001","90","","4766.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Au N4 P S8 -","- C48 H36 Au N4 P S8 -","- C192 H144 Au4 N16 P4 S32 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0348","0.0251","","","0.057","0.0605","","","","","","1.027","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241024","17.0312","0.0009","10.1352","0.0009","26.7022","0.0015","90","","98.85","0.003","90","","4554.3","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 Au N3 S4 -","- C25 H16 Au N3 S4 -","- C200 H128 Au8 N24 S32 -","8","1","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0354","0.0293","","","0.067","0.0688","","","","","","1.088","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241025","17.2166","0.0007","24.801","0.0008","25.0137","0.0012","90","","90","","90","","10680.6","0.8","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H16 Au Co N7 S8 -","- C26 H16 Au Co N7 S8 -","- C208 H128 Au8 Co8 N56 S64 -","8","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.1599","0.0876","","","0.1982","0.2338","","","","","","1.035","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241026","20.1754","0.0012","7.5445","0.0004","37.558","0.002","90","","90","","90","","5716.8","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H32 Au2 Cd2 N10 S12 -","- C54 H32 Au2 Cd2 N10 S12 -","- C216 H128 Au8 Cd8 N40 S48 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0416","0.0278","","","0.0504","0.0539","","","","","","1.068","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241027","14.0705","0.0002","14.0407","0.0002","13.1353","0.0002","90","","92.207","0.001","90","","2593.08","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Br2 N2 O2 -","- C24 H46 Br2 N2 O2 -","- C96 H184 Br8 N8 O8 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0561","0.0449","","","0.1063","0.1157","","","","","","1","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241028","6.6197","0.0003","12.7852","0.0006","13.6584","0.0006","93.527","0.004","96.309","0.004","101.198","0.004","1123.02","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Br2 N2 O2 -","- C20 H38 Br2 N2 O2 -","- C40 H76 Br4 N4 O4 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0641","0.0404","","","0.0817","0.0944","","","","","","1","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241029","28.3447","0.0004","8.4739","0.0001","18.2377","0.0003","90","","128.822","0.001","90","","3412.85","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Br4 N8 O4 -","- C26 H34 Br4 N8 O4 -","- C104 H136 Br16 N32 O16 -","4","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0488","0.0347","","","0.0843","0.0913","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241030","7.7789","0.0002","12.379","0.0003","13.5879","0.0004","100.65","0.002","106.613","0.002","99.807","0.002","1197.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0456","0.0314","","","0.0696","0.0762","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241031","12.0913","0.0009","12.8187","0.0012","16.5005","0.0012","78.262","0.007","69.986","0.007","68.543","0.008","2227.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H70 Br4 N4 O8 -","- C30 H62 Br4 N4 O8 -","- C60 H124 Br8 N8 O16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1096","0.0712","","","0.1643","0.1879","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241032","29.7221","0.0003","14.609","0.0001","29.2449","0.0003","90","","92.031","0.001","90","","12690.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Br3 N3 O7 -","- C24 H45 Br3 N3 O7 -","- C384 H720 Br48 N48 O112 -","16","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0626","0.056","","","0.1806","0.1924","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241033","16.7042","0.0001","25.8169","0.0001","18.0462","0.0001","90","","105.02","","90","","7516.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H64 Br3 N3 O5 -","- C27 H59 Br3 N3 O5 -","- C216 H472 Br24 N24 O40 -","8","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1255","0.1152","","","0.2551","0.2613","","","","","","1.659","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241034","21.2861","0.0005","13.4278","0.0003","12.7119","0.0003","90","","115.582","0.002","90","","3277.2","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H56 Br3 N3 O4 -","- C27 H56 Br3 N3 O4 -","- C108 H224 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0275","0.024","","","0.0536","0.0551","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241035","12.9316","0.0001","13.8145","0.0001","21.706","0.0002","90","","90.973","0.001","90","","3877.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H68 Br3 N3 O4 -","- C33 H64 Br3 N3 O4 -","- C132 H256 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0691","0.0599","","","0.1531","0.1633","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241036","9.6181","0.0003","13.5685","0.0004","15.9089","0.0004","80.8233","0.0013","87.5873","0.0013","81.6607","0.0013","2027.54","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H38 O5 -","- C59 H38 O5 -","- C118 H76 O10 -","2","1","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.074","0.0517","","","0.1449","0.1545","","","","","","1.089","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241037","7.8456","0.0003","8.3213","0.0003","9.5951","0.0003","93.0871","0.001","113.677","0.001","114.38","0.0009","504.1","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C30 H20 O2 -","1","0.5","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.0398","0.0387","","","0.1018","0.1026","","","","","","1.038","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241049","17.4287","0.00048","15.29046","0.00051","13.21952","0.0005","90","","90","","90","","3522.9","0.2","","","298","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","CAU-50","- C36 Fe3 O12 Sc2 -","- C36 Fe3 O12 Sc2 -","- C144 Fe12 O48 Sc8 -","4","0.5","","Benecke, Jannick; Svensson Grape, Erik; Engesser, Tobias; Inge, Andrew Ken; Reinsch, Helge","Observation of Three Different Linker Conformers in a Scandium Ferrocenedicarboxylate Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00986E","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","255279","2020-10-21","18:00:00",""
"7241050","13.338","0.003","23.519","0.005","19.056","0.004","90","","90","","90","","5978","2","113.15","","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H6 N3 O5 Zn -","- C12 H6 N3 O5 Zn -","- C96 H48 N24 O40 Zn8 -","8","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","0.71073","MoKα","","0.0831","0.0724","","","0.2159","0.229","","","","","","1.1","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241051","20.5369","0.0012","20.5369","0.0012","34.603","0.002","90","","90","","120","","12639","1.3","273","2","273.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C22 H11 N5 O7 Zn2 -","- C22 H11 N5 O7 Zn2 -","- C132 H66 N30 O42 Zn12 -","6","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","1.54178","CuKα","","0.1171","0.0616","","","0.1523","0.1832","","","","","","0.86","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241069","18.4741","0.0012","10.7522","0.0012","19.8687","0.0014","90","","110.119","0.008","90","","3705.8","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H66 Eu N8 O28 S2 -","- C56 H66 Eu N8 O28 S2 -","- C112 H132 Eu2 N16 O56 S4 -","2","0.5","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","x-ray","0.71073","MoKα","","0.1079","0.0606","","","0.1104","0.1283","","","","","","0.95","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241070","9.0648","0.0004","10.3588","0.0006","18.876","0.001","78.99","0.005","77.823","0.004","80.206","0.004","1685.06","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 N2 O21 S2 Sm -","- C26 H28 N2 O21 S2 Sm -","- C52 H56 N4 O42 S4 Sm2 -","2","1","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","","0.71073","MoKα","","0.0521","0.0401","","","0.0657","0.0694","","","","","","1.01","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241075","9.7723","0.0006","12.896","0.0009","13.7128","0.001","104.309","0.006","109.946","0.006","96.773","0.005","1534.8","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Mg3 N5 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","1","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0683","0.0602","","","0.1816","0.1868","","","","","","1.088","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241076","18.7842","0.0006","14.8469","0.0004","19.2101","0.0005","90","","104.519","0.003","90","","5186.4","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Mg3 N4 O16 S6 -","- C42 H40 Mg3 N4 O16 S6 -","- C168 H160 Mg12 N16 O64 S24 -","4","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0546","0.0495","","","0.1383","0.1415","","","","","","1.04","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241088","11.2359","0.0002","14.902","0.0002","12.3361","0.0003","90","","111.221","0.001","90","","1925.46","0.06","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Br N2 O S -","- C7 H11 Br N2 O S -","- C56 H88 Br8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0737","0.0762","","","","","","1.083","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241089","11.1116","0.0002","14.6502","0.0003","12.1138","0.0004","90","","111.27","0.002","90","","1837.64","0.08","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C56 H88 Cl8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0311","0.0287","","","0.0731","0.0747","","","","","","1.046","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241090","15.1584","0.0006","6.9422","0.0003","8.7807","0.0004","90","","90","","90","","924.02","0.07","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H10 Br N3 O S -","- C6 H10 Br N3 O S -","- C24 H40 Br4 N12 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0344","0.0287","","","0.0585","0.0606","","","","","","1.067","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241091","5.8057","0.0003","19.4234","0.0011","8.3009","0.0005","90","","102.153","0.005","90","","915.08","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Br N4 O S -","- C5 H9 Br N4 O S -","- C20 H36 Br4 N16 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.0846","0.0883","","","","","","1.146","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241092","17.196","0.0008","8.4197","0.0005","6.6408","0.0003","90","","95.281","0.004","90","","957.41","0.08","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C28 H44 Cl4 N8 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0319","0.0287","","","0.0757","0.0765","","","","","","1.018","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241093","4.7921","0.0005","11.1245","0.0012","11.2988","0.0013","65.883","0.008","86.445","0.009","78.351","0.008","538.29","0.11","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0553","0.0351","","","0.0852","0.091","","","","","","0.894","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241094","5.2947","0.0006","8.124","0.0007","20.88","0.003","90","","90.109","0.009","90","","898.13","0.18","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0574","0.0398","","","0.0938","0.1021","","","","","","0.906","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241095","27.986","0.003","4.615","0.0003","24.046","0.002","90","","132.364","0.005","90","","2294.7","0.4","295","1","295","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C88 H72 Cl8 N16 O40 -","4","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0677","0.0329","","","0.0579","0.0627","","","","","","0.741","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241096","8.4521","0.0005","5.1303","0.0002","23.1482","0.0014","90","","99.316","0.005","90","","990.51","0.09","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 O6 -","- C20 H14 Cl2 N4 O6 -","- C40 H28 Cl4 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0526","0.0364","","","0.0987","0.1037","","","","","","1.043","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241097","4.7183","0.0006","10.9094","0.0012","11.9445","0.0016","74.12","0.009","81.304","0.011","81.681","0.01","581.11","0.13","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0763","0.0342","","","0.0598","0.0677","","","","","","0.841","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241098","9.6305","0.0015","4.8508","0.0009","19.676","0.003","90","","101.762","0.008","90","","899.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0775","0.0528","","","0.127","0.1419","","","","","","1.038","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241099","14.4343","0.0012","12.339","0.0012","16.3675","0.0011","90","","90","","90","","2915.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C112 H128 N32 O40 -","8","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.056","0.0401","","","0.1027","0.114","","","","","","1.046","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241100","8.297","0.0004","8.4259","0.0004","8.6973","0.0004","73.191","0.003","62.99","0.003","63.742","0.003","482.84","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.1433","0.0773","","","0.1602","0.1931","","","","","","1.015","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241101","16.8076","0.0015","6.312","0.0006","13.8556","0.0013","90","","90","","90","","1469.9","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C48 H72 N16 O32 -","4","0.5","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0632","0.0403","","","0.0916","0.1057","","","","","","1.03","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241102","3.8177","0.0001","18.7165","0.0007","10.7428","0.0004","90","","109.012","0.002","90","","725.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O6 -","- C4 H11 N O6 -","- C16 H44 N4 O24 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","1.54178","CuKα","","0.0302","0.0284","","","0.0735","0.0748","","","","","","1.084","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241103","3.726","0.0003","10.5594","0.0009","10.9879","0.0009","84.17","0.006","87.921","0.005","85.492","0.006","428.57","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0418","0.0365","","","0.0985","0.1035","","","","","","1.039","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241104","6.7934","0.0007","9.2159","0.0014","27.264","0.005","90","","93.007","0.012","90","","1704.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mebendazole perchlorate","","- C16 H14 Cl N3 O7 -","- C16 H14 Cl N3 O7 -","- C64 H56 Cl4 N12 O28 -","4","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.2439","0.0915","","","0.2043","0.2845","","","","","","1.026","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241105","9.1092","0.0011","9.9717","0.0014","9.9908","0.0014","92.075","0.012","102.401","0.011","90.209","0.01","885.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Mebendazole methylbisulfate","Mebendazole methylsulfate","","- C17 H17 N3 O7 S -","- C17 H17 N3 O7 S -","- C34 H34 N6 O14 S2 -","2","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.1639","0.0649","","","0.1512","0.1882","","","","","","1.049","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241106","9.6941","0.0003","18.5267","0.0005","11.897","0.0003","90","","100.254","0.001","90","","2102.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br N O2 -","- C26 H16 Br N O2 -","- C104 H64 Br4 N4 O8 -","4","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0525","0.0346","","","0.0818","0.0907","","","","","","1.034","","","","has coordinates","255614","2020-10-21","18:00:00",""
"7241107","9.9622","0.0007","10.257","0.0007","18.2695","0.0011","90.165","0.002","93.058","0.002","93.993","0.002","1859.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O2 -","- C44 H30 N2 O2 -","- C88 H60 N4 O4 -","2","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0956","0.063","","","0.1722","0.1938","","","","","","1.054","","","","has coordinates,has disorder","255614","2020-10-21","18:00:00",""
"7241110","9.2669","0.0004","9.8502","0.0005","14.0987","0.0007","95.459","0.002","102.736","0.002","96.328","0.002","1238.13","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N5 O11 Zn2 -","- C23 H21 N5 O11 Zn2 -","- C46 H42 N10 O22 Zn4 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0291","0.0243","","","0.0629","0.0651","","","","","","1.088","","","","has coordinates,has disorder","255639","2020-10-21","18:00:00",""
"7241111","9.7083","0.0003","12.3721","0.0008","18.0053","0.0005","91.074","0.004","95.987","0.003","99.217","0.004","2121.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N8 O23 Zn4 -","- C32 H34 N8 O23 Zn4 -","- C64 H68 N16 O46 Zn8 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0575","0.0381","","","0.0903","0.0971","","","","","","1.091","","","","has coordinates","255640","2020-10-21","18:00:00",""
"7241112","9.9614","0.0012","17.775","0.002","19.243","0.002","90","","102.947","0.002","90","","3320.6","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 Cu2 N7 O7 -","- C35 H19 Cu2 N7 O7 -","- C140 H76 Cu8 N28 O28 -","4","0.5","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0952","0.0819","","","0.2515","0.2632","","","","","","1.089","","","","has coordinates,has disorder","255641","2020-10-21","18:00:00",""
"7241113","9.2751","0.0019","9.8616","0.0017","14.1","0.003","95.512","0.007","102.83","0.006","96.382","0.006","1240","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cu2 N5 O11 -","- C23 H21 Cu2 N5 O11 -","- C46 H42 Cu4 N10 O22 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.036","0.0284","","","0.0694","0.0725","","","","","","1.026","","","","has coordinates,has disorder","255642","2020-10-21","18:00:00",""
"7241114","21.961","0.005","11.928","0.003","8.903","0.002","90","","90","","90","","2332.1","0.9","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cs4 N6 O4 S6 -","- C6 H10 Cs4 N6 O4 S6 -","- C24 H40 Cs16 N24 O16 S24 -","4","0.5","","Zhao, Jianmin; Liu, Hongkun; Zhang, Xiaodong; Zhang, Bingbing; Wang, Ying","Facile synthesis of a cesium trithiocyanurate with high ionic conductivity and large birefringence properties","CrystEngComm","2020","","","","","10.1039/D0CE01116A","","","0.71073","MoKα","","0.0617","0.0356","","","0.0671","0.0757","","","","","","1.033","","","","has coordinates","255643","2020-10-21","18:00:00",""
"7241115","32.824","0.006","6.1669","0.0011","6.2114","0.0011","90","","93.205","0.002","90","","1255.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","0.25","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0371","0.0328","","","0.0899","0.1051","","","","","","1.204","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241116","8.8201","0.0014","8.8198","0.0014","29.038","0.005","93.198","0.002","95.495","0.002","90.123","0.002","2245","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","C18H36N4I10Pb3","","- C18 H36 I10 N4 Pb3 -","- C25 I10 N2 Pb3 -","- C50 I20 N4 Pb6 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.083","0.0607","","","0.1573","0.1734","","","","","","1.107","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241117","8.8092","0.0005","8.8168","0.0004","22.8196","0.0012","97.072","0.004","93.983","0.004","90.199","0.004","1754.51","0.16","296","0.1","296","0.1","","","","","","","","5","P -1","-P 1","2","","C17H30N3I7Pb2","","- C17 H30 I7 N3 Pb2 -","- C7 I7 N2 Pb2 -","- C14 I14 N4 Pb4 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","x-ray","0.71073","MoKα","","0.0747","0.0546","","","0.1443","0.1592","","","","","","1.052","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241118","8.7497","0.0008","8.751","0.0008","16.683","0.0015","99.7643","0.001","95.2258","0.001","90.3394","0.001","1253.4","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","C16H24I4N2Pb","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0396","0.0348","","","0.0978","0.1064","","","","","","1.091","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241119","8.735","0.0016","8.7359","0.0016","16.673","0.003","99.694","0.005","95.22","0.006","90.393","0.005","1248.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","C16H24N2I4Pb","","- C16 H24 I4 N2 Pb -","- C19 I4 N2 Pb -","- C38 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0682","0.0525","","","0.1418","0.1482","","","","","","1.175","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241120","10.8713","0.0004","14.5655","0.0006","8.7376","0.0004","90","","102.36","0.001","90","","1351.5","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C56 H32 O24 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.0257","0.0175","","","0.0373","0.0393","","","","","","1.078","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241121","10.4923","0.0011","15.3276","0.0017","12.1504","0.0013","90","","97.178","0.003","90","","1938.7","0.4","300","2","299.85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O7 U -","- C19 H17 N O7 U -","- C76 H68 N4 O28 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.031","0.0242","","","0.0555","0.0601","","","","","","1.117","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241122","9.6125","0.0001","11.4482","0.0001","12.0079","0.0001","88.333","0.001","66.767","0.001","85.721","0.001","1210.88","0.02","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.5418","CuKα","","0.0417","0.037","","","0.0968","0.1026","","","","","","1.032","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241123","9.4489","0.0004","10.9319","0.0004","12.4569","0.0007","91.048","0.005","64.18","0.004","85.038","0.004","1151.68","0.1","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.0617","0.0568","","","0.1523","0.1586","","","","","","1.006","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241124","9.511","0.0002","11.4116","0.0003","11.7909","0.0003","87.5702","0.0019","83.0661","0.0019","67.522","0.002","1173.85","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O6 -","- C28 H20 Co N2 O6 -","- C56 H40 Co2 N4 O12 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.54184","CuKα","","0.0376","0.0349","","","0.0878","0.0894","","","","","","1.045","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241125","9.6125","0.0001","11.4482","0.0001","12.0634","0.0002","88.252","0.001","66.161","0.001","85.721","0.001","1210.88","0.03","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.1516","0.1436","","","0.4317","0.4456","","","","","","2.114","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241126","12.4871","0.001","14.3971","0.0012","16.4209","0.001","90","","114.354","0.005","90","","2689.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N4 O10 -","- C20 H24 Cd N4 O10 -","- C80 H96 Cd4 N16 O40 -","4","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0479","0.0421","","","0.1283","0.136","","","","","","1.075","","","","has coordinates,has disorder","255677","2020-10-21","18:00:00",""
"7241127","32.2321","0.0019","32.2321","0.0019","14.2264","0.0011","90","","90","","120","","12799.8","1.5","291","2","291","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H12 N4 O4 Zn -","- C20 H12 N4 O4 Zn -","- C360 H216 N72 O72 Zn18 -","18","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0599","0.0383","","","0.0923","0.0945","","","","","","1.091","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241128","16.2489","0.0013","16.2489","0.0013","45.5303","0.0017","90","","90","","120","","10410.7","1.2","291","2","291","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H43 Cd4 Cl2 N13 O13 -","- C63 H43 Cd4 Cl2 N13 O13 -","- C378 H258 Cd24 Cl12 N78 O78 -","6","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.032","0.0317","","","0.1034","0.1037","","","","","","1.032","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241144","14.588","0.0005","10.6964","0.0003","21.111","0.0009","90","","90","","90","","3294.1","0.2","296.31","0.1","296.31","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H29 N3 O15.5 P5 Zn4 -","- C18 H26 N3 O15.5 P5 Zn4 -","- C72 H104 N12 O62 P20 Zn16 -","4","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0962","0.0894","","","0.2687","0.2789","","","","","","1.057","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241145","5.06676","0.00018","18.5492","0.0006","7.3779","0.0003","90","","109.713","0.004","90","","652.77","0.04","294.05","0.1","294.05","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C4 H13 F2 Fe2 N2 O8 P2 -","- C4 H13 F2 Fe2 N2 O8 P2 -","- C8 H26 F4 Fe4 N4 O16 P4 -","2","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1178","0.1204","","","","","","1.102","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241155","7.0657","0.0006","8.1092","0.0006","15.0924","0.0012","83.519","0.001","85.919","0.001","67.302","0.001","792.32","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","tetrakis(m2-Acetato')-bis((4-cyanopyridine-N)-copper(ii)) 1,4-diiodo tetrafluorobenzene","","- C13 H10 Cu F2 I N2 O4 -","- C13 H10 Cu F2 I N2 O4 -","- C26 H20 Cu2 F4 I2 N4 O8 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0358","0.0259","","","0.0566","0.0602","","","","","","1.026","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241156","7.4","0.0005","15.2947","0.0009","30.1955","0.0017","90","","97.02","0.002","90","","3391.9","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene","","- C22 H20 Cu2 F8 I4 O10 -","- C22 H20 Cu2 F8 I4 O10 -","- C88 H80 Cu8 F32 I16 O40 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.1369","0.0889","","","0.1867","0.2115","","","","","","1.077","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241157","15.1477","0.0005","4.3981","0.0002","11.08","0.0004","90","","97.422","0.001","90","","731.98","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-diiodo-tetrafluorobenzene acetic acid solvate","","- C10 H8 F4 I2 O4 -","- C10 H8 F4 I2 O4 -","- C20 H16 F8 I4 O8 -","2","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0264","0.0221","","","0.0357","0.0367","","","","","","1.152","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241158","8.7053","0.0003","14.5425","0.0005","15.3896","0.0005","90.191","0.001","98.112","0.001","97.898","0.001","1909.97","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene methanol solvate","","- C24 H28 Cu2 F8 I4 O12 -","- C24 H28 Cu2 F8 I4 O12 -","- C48 H56 Cu4 F16 I8 O24 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0716","0.049","","","0.0911","0.0985","","","","","","1.039","","","","has coordinates,has disorder","255789","2020-10-21","18:00:00",""
"7241159","9.186","0.007","11.456","0.008","12.719","0.01","105.944","0.015","91.465","0.013","92.25","0.013","1285.1","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","1","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0626","0.0495","","","0.1516","0.1734","","","","","","1.131","","","","has coordinates,has disorder","255790","2020-10-21","18:00:00",""
"7241160","15.2249","0.0012","15.4358","0.0013","24.04","0.002","90","","90","","90","","5649.6","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H56 N16 O8 Zn4 -","- C50 H56 N16 O8 Zn4 -","- C200 H224 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0677","0.0465","","","0.1278","0.144","","","","","","1.228","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241161","15.2598","0.0012","16.0078","0.0013","24.0526","0.0019","90","","90","","90","","5875.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H64 N16 O8 Zn4 -","- C54 H64 N16 O8 Zn4 -","- C216 H256 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.092","0.055","","","0.1433","0.1743","","","","","","1.096","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241162","11.8105","0.0002","11.8159","0.0002","14.7854","0.0003","81.763","0.001","69.718","0.001","73.452","0.001","1852.96","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O13 Zn3 -","- C36 H34 N2 O13 Zn3 -","- C72 H68 N4 O26 Zn6 -","2","1","","Lin, Yuhan; Yu, Liang; Wang, Hao; Li, Jing","Enhanced Fluorescence by Increasing Dimensionality: A Novel Three-Dimensional Luminescent Metal-Organic Framework with Rigidified Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01092H","","","1.54178","CuKα","","0.0372","0.0347","","","0.1038","0.1065","","","","","","1.052","","","","has coordinates,has disorder","255791","2020-10-21","18:00:00",""
"7241169","13.3784","0.001","13.4372","0.001","22.8411","0.0017","79.854","0.004","86.664","0.004","82.954","0.003","4008.6","0.5","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H61 Cl6 Cu3 N6 O14 -","- C79 H61 Cl6 Cu3 N6 O14 -","- C158 H122 Cl12 Cu6 N12 O28 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1261","0.0922","","","0.2438","0.2673","","","","","","1.028","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241170","13.3854","0.0007","13.4317","0.0007","23.086","0.0012","79.506","0.003","86.899","0.003","84.385","0.002","4058.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H60 Br6 Cu3 N6 O14 -","- C79 H60 Br6 Cu3 N6 O14.1 -","- C158 H120 Br12 Cu6 N12 O28.2 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1711","0.0734","","","0.1959","0.2426","","","","","","1.058","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241171","11.3089","0.0017","15.195","0.002","26.307","0.004","90","","97.4256","0.0018","90","","4482.7","1.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C168 H312 N24 O24 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.0759","0.064","","","0.1736","0.1832","","","","","","1.054","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241172","15.7262","0.0007","15.2346","0.0007","11.2115","0.0005","90","","92.194","0.002","90","","2684.1","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.1255","0.0748","","","0.1963","0.2318","","","","","","1.026","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241173","15.254","0.005","14.838","0.005","11.247","0.003","90","","91.957","0.009","90","","2544.1","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2011","0.1075","","","0.2188","0.2732","","","","","","1.074","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241174","16.888","0.015","15.377","0.014","11.247","0.01","90","","103.204","0.01","90","","2843","4","360","2","360.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2911","0.1524","","","0.3827","0.4591","","","","","","1.281","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241175","14.6731","0.0011","15.3415","0.001","11.2315","0.0008","90","","108.98","0.003","90","","2390.8","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C84 H156 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.0804","0.0612","","","0.1815","0.2031","","","","","","1.033","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241178","9.934","0.002","8.36","0.002","23.571","0.006","90","","92.977","0.008","90","","1954.9","0.8","300","2","299.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","0.71073","MoKα","","0.1339","0.0609","","","0.1165","0.1396","","","","","","1.038","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241179","7.2706","0.0014","9.5902","0.0019","11.881","0.002","96.11","0.03","92.79","0.03","98.34","0.03","813.3","0.3","296.15","","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O2.5 -","- C18.5 H17 N4 O2.5 -","- C37 H34 N8 O5 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1332","0.0667","","","0.1582","0.2086","","","","","","1.025","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241180","7.101","0.0003","9.4938","0.0004","12.0005","0.0005","95.619","0.002","92.881","0.002","99.035","0.002","793.37","0.06","120.04","","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O3 -","- C18.5 H17 N4 O3 -","- C37 H34 N8 O6 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1395","0.0863","","","0.2049","0.2485","","","","","","1.089","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241181","28.153","0.005","7.245","0.0005","21.869","0.003","90","","120.14","0.01","90","","3857.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 N O8 Tb -","- C19 H11 N O8 Tb -","- C152 H88 N8 O64 Tb8 -","8","1","","Li, Zhang; Zhan, ZhiYing; Hu, Ming","A luminescent terbium coordination polymer as a multifunctional water-stable sensor for detection of Pb2+ ions, PO43- ions, Cr2O72- ions, and some amino acids","CrystEngComm","2020","","","","","10.1039/D0CE01101K","","","1.54184","CuKα","","0.0649","0.053","","","0.1464","0.1707","","","","","","1.081","","","","has coordinates","255888","2020-10-21","18:00:00",""
"7241182","7.8466","0.0002","9.8257","0.0003","20.3107","0.0007","90","","90","","90","","1565.92","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-methylhydantoin","1-methylimidazolidine-2,4-dione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C48 H72 N24 O24 -","12","3","","Nogueira, Bernardo Albuquerque; Milani, Alberto; Ogruc Ildiz, Gulce; Paixão, José; Castiglioni, Chiara; Fausto, Rui","Polymorphism in 1-Methylhydantoin: Investigation by Periodic DFT Calculations and Characterization of the Third Polymorph","CrystEngComm","2020","","","","","10.1039/D0CE01016B","","","0.71073","MoKα","","0.0598","0.0371","","","0.0829","0.0928","","","","","","1.045","","","","has coordinates","255909","2020-10-21","18:00:00",""
"7241183","11.8019","0.0001","5.804","","22.3747","0.0002","90","","90","","90","","1532.63","0.019","297","0.3","297","0.3","","","","","","","","5","P n a 21","P 2c -2n","33","","C18H15NO3S","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0287","0.0282","","","0.0724","0.0729","","","","","","1.067","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241184","26.8338","0.0004","5.8195","0.0001","11.9509","0.0002","90","","104.299","0.001","90","","1808.43","0.05","296.7","0.4","296.7","0.4","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0285","0.0283","","","0.082","0.0824","","","","","","1.082","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241187","12.8756","0.0006","17.0258","0.0007","14.8329","0.0008","90","","101.033","0.005","90","","3191.5","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O16 Zn3 -","- C29 H26 N2 O16 Zn3 -","- C116 H104 N8 O64 Zn12 -","4","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0456","0.0343","","","0.0796","0.0837","","","","","","1.04","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241188","10.2531","0.0002","12.2578","0.0003","15.779","0.0004","101.524","0.002","92.146","0.002","102.223","0.002","1892.49","0.08","105","3","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 I0.52 O14 Zn3 -","- C23 H12 I0.5231 O14 Zn3 -","- C46 H24 I1.0462 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0503","0.0408","","","0.1174","0.1217","","","","","","1.078","","","","has coordinates","256210","2020-10-21","18:00:00",""
"7241189","10.12","0.0005","12.3807","0.0006","15.6793","0.0008","79.3","0.001","87.854","0.002","75.715","0.001","1870.59","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H12 O14 Zn3 -","- C23 H12 O14 Zn3 -","- C46 H24 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0628","0.0443","","","0.1028","0.1084","","","","","","1.043","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241190","17.6198","0.0004","11.9264","0.0003","14.1457","0.0004","90","","90","","90","","2972.59","0.13","293","2","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C23 H18 O17 Zn3 -","- C23 H18 O17 Zn3 -","- C46 H36 O34 Zn6 -","2","0.5","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0528","0.0381","","","0.087","0.0928","","","","","","1.001","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241191","6.1202","0.0005","6.1202","0.0005","3.6957","0.0003","90","","90","","120","","119.883","0.017","173","2","173","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi F3 H2 O -","- Bi F3 H2.0004 O -","- Bi2 F6 H4.0008 O2 -","2","0.166667","","Liu, Xian; Yang, Can; Wu, Qi; Sun, Juan; Liang, Fei","From BiF3 to BiF3·H2O: Diverse Bi(Ⅲ) Coordination for Structural Transformation and Birefringence Regulation","CrystEngComm","2020","","","","","10.1039/D0CE01213K","","","0.71073","MoKα","","0.0419","0.0371","","","0.0878","0.0921","","","","","","1.298","","","","has coordinates","256237","2020-10-21","18:00:00",""
"7241192","14.865","0.002","15.836","0.003","19.119","0.003","84.748","0.004","89.922","0.004","87.094","0.004","4476","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H50 Cd4 N10 O22 -","- C82 H50 Cd4 N8 O22 -","- C164 H100 Cd8 N16 O44 -","2","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.1267","0.0675","","","0.1607","0.187","","","","","","1.031","","","","has coordinates","256238","2020-10-21","18:00:00",""
"7241193","11.6552","0.0004","14.9367","0.0007","19.7696","0.0008","90","","102.314","0.001","90","","3362.5","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cd2 N4 O11 -","- C35 H22 Cd2 N4 O11 -","- C140 H88 Cd8 N16 O44 -","4","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.0536","0.043","","","0.0834","0.0865","","","","","","1.147","","","","has coordinates,has disorder","256238","2020-10-21","18:00:00",""
"7241194","9.8032","0.0004","18.8923","0.0008","22.6814","0.0007","90","","90","","90","","4200.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O8 Zn -","- C22 H20 N2 O8 Zn -","- C176 H160 N16 O64 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.1015","0.0768","","","0.2002","0.224","","","","","","1.039","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241195","12.2574","0.0006","13.4329","0.0006","18.4947","0.0008","90","","94.667","0.002","90","","3035.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 O12 Zn2 -","- C10 H15.5 O12 Zn2 -","- C80 H124 O96 Zn16 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0484","0.0348","","","0.0775","0.0837","","","","","","1.06","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241196","8.1309","0.0009","11.1211","0.0011","12.0204","0.0011","82.746","0.008","82.652","0.008","83.543","0.008","1064.25","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N3 O9 Zn -","- C20 H25 N3 O9 Zn -","- C40 H50 N6 O18 Zn2 -","2","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0556","0.0468","","","0.1098","0.1167","","","","","","1.046","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241197","8.6953","0.0014","10.2001","0.0011","16.7973","0.0018","90","","104.53","0.012","90","","1442.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O8 Zn2 -","- C15 H12 N O8 Zn2 -","- C60 H48 N4 O32 Zn8 -","4","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0445","0.0314","","","0.0655","0.0682","","","","","","0.906","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241198","25.1315","0.0006","11.8428","0.0003","15.9866","0.0003","90","","90","","90","","4758.05","0.19","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 O4 Zn -","- C20 H20 N2 O4 Zn -","- C160 H160 N16 O32 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0697","0.0617","","","0.1989","0.2106","","","","","","1.059","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241199","15.252","0.004","11.926","0.002","10.272","0.004","90","","108.83","0.03","90","","1768.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C72 H56 Br8 N8 O16 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0499","0.0429","","","0.1098","0.1158","","","","","","1.031","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241200","10.026","0.002","10.281","0.002","10.526","0.002","110.26","0.02","92.56","0.02","113.13","0.02","915.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 I2 N2 O4 -","- C18 H14 I2 N2 O4 -","- C36 H28 I4 N4 O8 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0205","0.0193","","","0.0531","0.0541","","","","","","1.067","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241201","7.792","0.004","9.705","0.003","9.938","0.005","94.41","0.04","106.41","0.05","110.28","0.03","663.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C30 H26 Br2 N4 O4 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0295","0.0259","","","0.0544","0.0556","","","","","","1.047","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241205","27.1581","0.0011","27.1581","0.0011","10.8428","0.0005","90","","90","","90","","7997.2","0.6","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H14 O5 Pb2 -","- C22 H14 O5 Pb2 -","- C352 H224 O80 Pb32 -","16","1","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0621","0.0696","","","","","","1.142","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241206","30.3539","0.0011","10.9884","0.0004","30.8061","0.0011","90","","113.913","0.0013","90","","9393.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 O10 Pb4 -","- C52 H36 O10 Pb4 -","- C416 H288 O80 Pb32 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","1.54178","CuKα","","0.0309","0.0271","","","0.0624","0.0644","","","","","","1.077","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241207","11.0324","0.0008","50.385","0.004","16.6466","0.0014","90","","96.0445","0.0016","90","","9201.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C416 H288 O80 Pb32 -","16","4","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0627","0.0387","","","0.0818","0.0929","","","","","","1.034","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241208","35.3686","0.0018","10.869","0.0005","27.3181","0.0013","90","","127.839","0.0016","90","","8293.5","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C176 H112 O41.42 Pb16 -","- C176 H114.488 O41.244 Pb16 -","- C352 H228.976 O82.488 Pb32 -","2","0.25","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0275","0.0235","","","0.0528","0.0541","","","","","","1.123","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241209","21.255","0.003","21.255","0.003","10.872","0.0008","90","","90","","90","","4911.7","1","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C208 H144 O40 Pb16 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0623","0.0335","","","0.068","0.0746","","","","","","0.956","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241210","13.6803","0.0013","13.8392","0.0013","14.6811","0.0015","101.399","0.002","99.384","0.002","116.889","0.002","2326.6","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cd1.5 N5 O9 -","- C42 H40 Cd1.5 N5 O9 -","- C84 H80 Cd3 N10 O18 -","2","1","","Wang, Xiuli; Liu, Yu; Lin, Hongyan; Xu, Na; Liu, Guocheng; Wang, Xiang; Chang, Zhi-Han; Li, Jianrong","A novel cadmium metal-organic framework-based multiresponsive fluorescent sensor demonstrating the outstanding sensitivities and selectivities for detecting NB, Fe3+ ions and Cr2O72− anions","CrystEngComm","2020","","","","","10.1039/D0CE01139H","","x-ray","0.71073","MoKα","","0.0638","0.0402","","","0.0905","0.1002","","","","","","1.047","","","","has coordinates","256336","2020-10-21","18:00:00",""
"7241211","9.8569","0.0008","18.7251","0.0016","16.023","0.0014","90","","98.831","0.003","90","","2922.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0384","0.0289","","","0.066","0.0705","","","","","","1.053","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241212","10.0292","0.0004","11.1247","0.0005","15.8806","0.0007","92.7397","0.0015","90.0977","0.0014","104.7","0.0013","1711.7","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 Ni O9 -","- C30 H26 N4 Ni O9 -","- C60 H52 N8 Ni2 O18 -","2","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0754","0.0629","","","0.1713","0.1803","","","","","","1.076","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241213","21.5344","0.0003","10.2575","0.0001","18.2419","0.0002","90","","95.4191","0.0006","90","","4011.43","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N2 O5 Zn -","- C21 H19 N2 O5 Zn -","- C168 H152 N16 O40 Zn8 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0429","0.0353","","","0.0885","0.0927","","","","","","1.057","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241214","14.5085","0.0005","16.3024","0.0005","15.659","0.0005","90","","113.583","0.002","90","","3394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N4 Ni O9 -","- C33 H38 N4 Ni O9 -","- C132 H152 N16 Ni4 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.1395","0.0694","","","0.1721","0.2023","","","","","","1.012","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241215","31.829","0.003","9.6745","0.001","25.802","0.003","90","","110.736","0.006","90","","7430.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 N6 Ni O11.5 -","- C39 H42 N6 Ni O11.5 -","- C312 H336 N48 Ni8 O92 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0775","0.0524","","","0.1265","0.1394","","","","","","1.032","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241220","7.7192","0.0003","18.9505","0.0007","19.3675","0.0012","90","","98.008","0.005","90","","2805.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H14 Cd N0 O8 -","- C10.5 H14 Cd O8 -","- C84 H112 Cd8 O64 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.066","0.0541","","","0.1446","0.1546","","","","","","1.068","","","","has coordinates,has disorder","256372","2020-10-21","18:00:00",""
"7241221","9.7846","0.0006","15.8653","0.001","16.2608","0.0014","65.276","0.007","83.245","0.006","73.817","0.005","2202","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Br4 N4 Ni2 O13 -","- C41 H34 Br4 N4 Ni2 O13 -","- C82 H68 Br8 N8 Ni4 O26 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1229","0.065","","","0.1547","0.1908","","","","","","1.003","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241222","8.3958","0.0008","12.1818","0.0011","15.1802","0.0014","102.597","0.008","95.828","0.008","94.332","0.008","1499.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 Ni O12 -","- C31 H30 N2 Ni O12 -","- C62 H60 N4 Ni2 O24 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1395","0.0721","","","0.1714","0.2108","","","","","","0.876","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241223","14.8925","0.0019","11.1228","0.0013","18.0572","0.0018","90","","91.812","0.01","90","","2989.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H15 Cd0 Co0.5 N O6 -","- C15.5 H15 Co0.5 N O6 -","- C124 H120 Co4 N8 O48 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.063","0.0464","","","0.109","0.1188","","","","","","1.034","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241238","7.7293","0.0017","10.047","0.002","10.55","0.003","114.942","0.003","91.849","0.002","95.634","0.003","736.8","0.3","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","1","0.5","","Tong, Wenchao; Bian, Mei; Feng, Yongan; Zhang, Tonglai; Hu, Shuangqi; Yang, Li","A Highly Stable Octa-coordinated Energetic Complex","CrystEngComm","2020","","","","","10.1039/D0CE01008A","","","0.71073","MoKα","","0.0325","0.0285","","","0.0673","0.0692","","","","","","0.9992","","","","has coordinates","256415","2020-10-21","18:00:00",""
"7241241","14.764","0.003","14.966","0.003","16.677","0.004","67.348","0.007","79.935","0.007","78.053","0.009","3308.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H77 N O8 S4 -","- C75 H77 N O8 S4 -","- C150 H154 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1783","0.0837","","","0.1458","0.1832","","","","","","0.932","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241242","10.5051","0.0014","13.538","0.002","22.658","0.003","77.015","0.007","88.249","0.008","88.725","0.009","3138.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H72 O8 S4 -","- C72 H72 O8 S4 -","- C144 H144 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.2843","0.0859","","","0.1079","0.1552","","","","","","0.891","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241243","14.8427","0.0007","14.9332","0.0007","17.2153","0.0008","68.192","0.001","81.105","0.001","74.912","0.001","3413.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H78 O9 S4 -","- C74 H78 O9 S4 -","- C148 H156 O18 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1597","0.0729","","","0.1867","0.2339","","","","","","1.034","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241244","14.832","0.0013","14.9045","0.0014","17.2172","0.0014","68.262","0.004","81.191","0.004","74.94","0.004","3407.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H75 N O8 S4 -","- C74 H75 N O8 S4 -","- C148 H150 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1936","0.0784","","","0.2043","0.2788","","","","","","0.985","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241245","7.2703","0.0013","9.7597","0.0017","11.424","0.002","104.565","0.015","103.831","0.015","99.589","0.014","739.3","0.2","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","<i>catena</i>-[aqua(<i>μ</i>~3~-thiophene-2-acetato-κ^4^O:O,O?:O?)\ (thiophene-2-acetato-κ^2^O,O?)lead(II)]","","- C12 H12 O5 Pb S2 -","- C12 H12 O5 Pb S2 -","- C24 H24 O10 Pb2 S4 -","2","1","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.0307","0.0281","","","0.0727","0.075","","","","","","1.081","","","","has coordinates","256445","2020-10-21","18:00:00",""
"7241246","16.8469","0.0018","10.3757","0.0007","7.8131","0.0009","90","","101.473","0.009","90","","1338.4","0.2","120","","120","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]","","- C12 H10 O4 Pb S2 -","- C12 H10 O4 Pb S2 -","- C48 H40 O16 Pb4 S8 -","4","0.5","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.04","0.0397","","","0.1062","0.1065","","","","","","1.123","","","","has coordinates,has disorder","256445","2020-10-21","18:00:00",""
"7241247","18.5851","0.0015","10.793","0.0009","8.4692","0.0007","90","","109.727","0.0015","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H8 Mn N2 O6 -","- C32 H64 Mn8 N16 O48 -","8","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0465","0.0369","","","0.0982","0.1342","","","","","","1.085","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241248","11.2775","0.0016","10.9894","0.0016","8.5532","0.0012","90","","92.916","0.002","90","","1058.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cd N3 O5 -","- C7 H11 Cd N3 O5 -","- C28 H44 Cd4 N12 O20 -","4","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0244","0.0204","","","0.0424","0.0433","","","","","","1.122","","","","has coordinates,has disorder","256446","2020-10-21","18:00:00",""
"7241249","5.4281","0.0008","12.4749","0.0018","9.1341","0.0014","90","","98.476","0.003","90","","611.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu N4 O8 -","- C8 H10 Cu N4 O8 -","- C16 H20 Cu2 N8 O16 -","2","0.5","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0406","0.0315","","","0.0871","0.1098","","","","","","1.021","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241250","9.13","0.0018","10.29","0.002","17.5","0.004","90.56","0.03","91.12","0.03","108.32","0.03","1560.2","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","0.71073","Synchrotron","","0.1136","0.0664","","","0.1598","0.1841","","","","","","1.024","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241251","10.98","0.0003","12.1273","0.0003","15.692","0.0004","73.885","0.002","80.363","0.002","84.052","0.002","1975.47","0.09","100","0.1","100","0.02","","","","","","","","6","P 1","P 1","1","","","","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.1024","0.088","","","0.2359","0.2544","","","","","","1.03","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241252","9.2097","0.0002","11.1836","0.0001","17.0964","0.0001","85.672","0.001","82.69","0.001","83.417","0.001","1731.75","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54178","CuKα","","0.0723","0.0685","","","0.1871","0.1913","","","","","","1.08","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241253","15.27","0.0002","15.7368","0.0001","17.1187","0.0002","88.158","0.001","75.094","0.001","86.414","0.001","3966.88","0.08","100","0.1","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 Co0.5 N2 O3 -","- C19 H16 Co0.5 N2 O3 -","- C152 H128 Co4 N16 O24 -","8","8","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.0713","0.0659","","","0.1796","0.185","","","","","","1.047","","","","has coordinates","256485","2020-10-21","18:00:00",""
"7241254","13.543","0.0002","16.3848","0.0003","16.6552","0.0003","90","","102.594","0.0019","90","","3606.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0431","0.0354","","","0.067","0.0696","","","","","","1.13","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241255","11.5148","0.0003","18.1689","0.0005","29.3477","0.0012","90","","91.157","0.003","90","","6138.6","0.3","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 I6 S10 -","- C16 H8 I6 S10 -","- C128 H64 I48 S80 -","8","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.1726","0.0979","","","0.1593","0.1835","","","","","","1.099","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241256","10.2097","0.0006","10.9057","0.0006","17.3954","0.0012","90.663","0.005","102.294","0.006","93.878","0.005","1887.5","0.2","150.01","0.1","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 I6 S12 -","- C24 H14 I6 S12 -","- C48 H28 I12 S24 -","2","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0828","0.062","","","0.0948","0.1011","","","","","","1.177","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241257","13.6688","0.0003","16.1393","0.0004","17.049","0.0004","90","","105.18","0.002","90","","3629.86","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0641","0.0492","","","0.111","0.1181","","","","","","1.108","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241258","11.8075","0.0002","14.6651","0.0003","16.9675","0.0003","92.604","0.002","106.484","0.002","107.727","0.002","2655.43","0.1","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 I3 S10 -","- C16 H10 I3 S10 -","- C64 H40 I12 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0523","0.0399","","","0.0826","0.0887","","","","","","1.078","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241259","9.0576","0.001","28.632","0.002","10.5799","0.001","90","","100.212","0.01","90","","2700.3","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H10 I4 S10 -","- C16 H10 I4 S10 -","- C64 H40 I16 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0858","0.0718","","","0.1521","0.1608","","","","","","1.107","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241260","8.7799","0.0012","8.7799","0.0012","8.193","0.002","90","","90","","120","","546.96","0.17","273","2","273.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0573","0.0413","","","0.0946","0.1002","","","","","","1.2","","","","has coordinates","256513","2020-10-21","18:00:00",""
"7241261","8.9303","0.0006","14.691","0.0009","7.979","0.0005","90","","95.994","0.004","90","","1041.08","0.12","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H0.25 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","2","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0969","0.0717","","","0.1793","0.194","","","","","","1.037","","","","has coordinates","256514","2020-10-21","18:00:00",""
"7241262","9.8149","0.0004","9.9853","0.0004","15.1587","0.0006","84.234","0.003","78.977","0.004","80.518","0.003","1434.64","0.1","150","0.1","150","0.1","","","","","","","slow evaporation from a methanol solution","3","P -1","-P 1","2","","2-Cyano-3-(6?-(dimethylamino)-1?,2?-dihydroacenaphthylen-5?-yl)propenenitrile","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.098","0.0575","","","0.1157","0.1393","","","","","","1.011","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241263","44.3599","0.0014","22.7723","0.0006","7.0406","0.0004","90","","90","","90","","7112.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0464","0.0411","","","0.0822","0.0843","","","","","","1.079","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241264","44.405","0.002","22.8205","0.0011","7.0822","0.0007","90","","90","","90","","7176.7","0.9","200","0.1","200","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0535","0.0463","","","0.091","0.0944","","","","","","1.092","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241265","8.6923","0.0003","12.6464","0.0005","12.8192","0.0005","81.716","0.003","77.638","0.003","78.624","0.003","1341.8","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8?-(dimethylamino)-4?,5?-diphenylnaphthalen-1?-yl)propenenitrile","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.092","0.0727","","","0.1296","0.1377","","","","","","1.153","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241266","44.6586","0.0017","22.6565","0.0007","6.8837","0.0004","90","","90","","90","","6965","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0389","0.0357","","","0.0751","0.0764","","","","","","1.097","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241267","48.482","0.0018","22.8029","0.0009","6.746","0.0003","90","","90","","90","","7457.9","0.5","260","2","260","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-propenoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0965","0.06","","","0.0921","0.107","","","","","","1.054","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241268","48.2476","0.0011","22.8006","0.0006","6.6691","0.0002","90","","90","","90","","7336.5","0.3","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-prop-enoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0412","0.0351","","","0.0753","0.078","","","","","","1.048","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241269","20.777","0.0007","9.3348","0.0002","18.1408","0.0006","90","","114.584","0.004","90","","3199.46","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-(4?-,8?-bis(dimethylamino)naphthalen-1?-yl)propenenitrile","","- C18 H18 N4 -","- C18 H18 N4 -","- C144 H144 N32 -","8","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0843","0.0637","","","0.1268","0.1364","","","","","","1.081","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241270","8.6964","0.0008","9.2214","0.0007","10.4886","0.0008","102.971","0.007","101.832","0.007","113.041","0.008","712.9","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0656","0.0472","","","0.1024","0.1135","","","","","","1.044","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241271","9.319","0.0005","11.543","0.0007","19.5648","0.0012","90","","90.064","0.003","90","","2104.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 Cocrystal of Olanzapine and Resorcinol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0474","0.0375","","","0.1201","0.129","","","","","","1.008","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241272","25.972","0.005","9.1477","0.0016","19.595","0.004","90","","107.679","0.008","90","","4435.6","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1 Cocrystal of Olanzapine and Catechol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1764","0.0873","","","0.215","0.2331","","","","","","1.153","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241273","9.0547","0.0018","10.719","0.002","14.236","0.003","80.86","0.005","82.955","0.006","84.355","0.006","1349.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C29 H32 N4 O2 S -","- C29 H32 N4 O2 S -","- C58 H64 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1595","0.0786","","","0.1527","0.1871","","","","","","1.059","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241274","9.3159","0.0003","10.3802","0.0004","15.0112","0.0005","96.2211","0.0014","90.7786","0.0013","98.187","0.0013","1427.72","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and pXylene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0504","0.0404","","","0.0931","0.0982","","","","","","1.037","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241275","9.1116","0.0005","10.7195","0.0007","15.8385","0.0009","88.452","0.002","87.7422","0.0017","82.8273","0.0019","1533.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:2 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C35 H38 N4 O2 S -","- C35 H38 N4 O2 S -","- C70 H76 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0409","0.0362","","","0.0928","0.0963","","","","","","1.051","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241276","28.1714","0.0017","12.6444","0.0007","14.0673","0.0008","90","","104.397","0.0019","90","","4853.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1:1:2 Cocrystal of Olanzapine, Hydroquinone, pXylene and Water","","- C24 H32 N4 O3 S -","- C24 H32 N4 O3 S -","- C192 H256 N32 O24 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0361","0.0329","","","0.0837","0.0864","","","","","","1.028","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241277","9.2694","0.0012","10.3353","0.0013","14.9174","0.0019","89.159","0.004","86.632","0.004","82.387","0.004","1414","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Ethylbenzene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0957","0.0559","","","0.1115","0.127","","","","","","1.031","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241281","15.6867","0.0016","14.8573","0.0015","18.9889","0.0019","90","","93.799","0.004","90","","4415.9","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H28 Mn2 N4 O12 -","- C41 H28 Mn2 N4 O12 -","- C164 H112 Mn8 N16 O48 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.0577","0.0403","","","0.0994","0.1067","","","","","","1.035","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241282","13.2419","0.0007","15.4637","0.0007","18.8598","0.0009","90","","107.908","0.002","90","","3674.8","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Mn2 N2 O14 -","- C29 H28 Mn2 N2 O14 -","- C116 H112 Mn8 N8 O56 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.1422","0.0685","","","0.1391","0.1636","","","","","","1.005","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241283","9.6149","0.0001","13.0783","0.0001","23.3712","0.0003","90","","90","","90","","2938.85","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Zharkov, Mikhail; Kuchurov, Ilya; Zlotin, Sergei Grigorievich","Micronization of CL-20 using supercritical and liquefied gases","CrystEngComm","2020","","","","","10.1039/D0CE01167C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0733","0.0762","","","","","","1.102","","","","has coordinates","256611","2020-10-21","18:00:00",""
"7241285","9.655","0.0008","7.8337","0.0004","21.8957","0.0016","90","","100.355","0.007","90","","1629.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid 2,2'-bipyridine (2:1) co-crystal","","","- C19 H14 F3 N2 O2 -","- C19 H14 F3 N2 O2 -","- C76 H56 F12 N8 O8 -","4","1","","Hatcher, Lauren E.; Burgess, Ayrton J.; Payne, Pollyanna; Wilson, Chick C.","From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows","CrystEngComm","2020","","","","","10.1039/D0CE00898B","","","0.71073","MoKα","","0.1393","0.0585","","","0.0854","0.1106","","","","","","1.009","","","","has coordinates,has disorder","256638","2020-10-21","18:00:00",""
"7241294","17.9377","0.0011","21.9449","0.0014","25.6202","0.0016","90","","106.696","0.002","90","","9660","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd N24 O20 -","- C96 H72 Cd N24 O20 -","- C384 H288 Cd4 N96 O80 -","4","0.5","","Liu, Mei; Shi, Lulu; Fang, Cao; Zhu, Xiaofei; Li, Hui","A cucurbit[6]uril-based supramolecular assembly test strip for immediate detection of nitrofuran antibiotics in water","CrystEngComm","2020","","","","","10.1039/D0CE01294G","","","0.71073","MoKα","","0.0388","0.0354","","","0.0855","0.0915","","","","","","1.112","","","","has coordinates","256694","2020-10-21","18:00:00",""
"7241299","21.9383","0.0002","21.9383","0.0002","46.0355","0.0005","90","","90","","120","","19188","0.3","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag F6 O12 P S9 -","- C60 H66 Ag F5.99995 O12 P S9 -","- C720 H792 Ag12 F71.9994 O144 P12 S108 -","12","0.333333","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0374","0.0306","","","0.0739","0.0805","","","","","","1.053","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241300","29.7592","0.0003","26.2631","0.0003","20.0331","0.0002","90","","90","","90","","15657.2","0.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C65 H71 Ag Cl9 F3 O15 S9 -","- C65 H69 Ag Cl9 F3 O15 S9 -","- C520 H552 Ag8 Cl72 F24 O120 S72 -","8","1","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0911","0.0678","","","0.1878","0.2117","","","","","","1.05","","","","has coordinates,has disorder","256752","2020-10-21","18:00:00",""
"7241301","29.0458","0.0015","26.4503","0.0014","19.6654","0.0011","90","","98.978","0.003","90","","14923.2","1.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C265 H273 Ag8 Cl3 F24 O65 P0 S36 -","- C265 H273 Ag8 Cl3 F24 O65 S36 -","- C530 H546 Ag16 Cl6 F48 O130 S72 -","2","0.5","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.1494","0.0743","","","0.1657","0.2129","","","","","","1.007","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241302","10.2987","0.0006","16.1185","0.0009","17.2403","0.001","90","","97.391","0.002","90","","2838.1","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Co4 N4 O26 -","- C62 H50 Co4 N4 O26 -","- C124 H100 Co8 N8 O52 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1136","0.0709","","","0.1178","0.1351","","","","","","1.174","","","","has coordinates","256753","2020-10-21","18:00:00",""
"7241303","10.372","0.0003","16.8173","0.0004","16.8664","0.0004","90","","98.482","0.001","90","","2909.81","0.13","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C65 H48 Co2 N9 O14 -","- C65 H48 Co2 N9 O14 -","- C130 H96 Co4 N18 O28 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.0823","0.0731","","","0.158","0.1613","","","","","","1.31","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241304","33.557","0.0011","15.838","0.0005","20.0331","0.0006","90","","90","","90","","10647.1","0.6","298.15","","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C106 H73 Co6 N12 O22 -","- C106 H73 Co6 N12 O22 -","- C424 H292 Co24 N48 O88 -","4","1","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1131","0.0544","","","0.1178","0.14","","","","","","1.005","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241306","28.311","0.0019","32.998","0.003","13.625","0.0011","90","","110.683","0.002","90","","11908.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Dy3 N30 O49 -","- C54 H30.9992 Co2.9996 Dy3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Dy12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0757","0.0441","","","0.1089","0.1203","","","","","","1.019","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241307","28.15","0.003","33.16","0.004","13.68","0.0014","90","","109.96","0.004","90","","12003","2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Eu3 N30 O49 -","- C54 H31 Co3 Eu3 N24 O31 -","- C216 H124 Co12 Eu12 N96 O124 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0721","0.051","","","0.1386","0.1535","","","","","","0.978","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241308","28.145","0.005","33.446","0.006","13.581","0.002","90","","110.479","0.002","90","","11976","4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Gd3 N30 O49 -","- C54 H31.0004 Co3.0002 Gd3 N24 O31.0002 -","- C216 H124.002 Co12.0008 Gd12 N96 O124.001 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0824","0.0524","","","0.1549","0.1763","","","","","","1.006","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241309","28.33","0.012","33.266","0.015","13.65","0.006","90","","111.329","0.006","90","","11983","9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Ho3 N30 O49 -","- C54 H30.9992 Co2.9996 Ho3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Ho12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.078","0.0469","","","0.1215","0.1331","","","","","","1.043","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241310","27.9621","0.0019","32.846","0.003","13.478","0.0011","90","","110.883","0.002","90","","11565.6","1.6","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 N30 O49 Tb3 -","- C54 H29.0004 Co2.9999 N24 O29.9999 Tb3 -","- C216 H116.002 Co11.9996 N96 O120 Tb12 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0727","0.0499","","","0.1278","0.1333","","","","","","1.123","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241311","20.7375","0.0011","13.4812","0.0007","25.4131","0.0013","90","","90","","90","","7104.6","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H29 N4 O7 Re2 -","- C37 H22 N4 O7 Re2 -","- C296 H176 N32 O56 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","0.71073","MoKα","","0.0308","0.021","","","0.0439","0.0472","","","","","","1.033","","","","has coordinates,has disorder","256784","2020-10-21","18:00:00",""
"7241312","14.1536","0.0002","14.5187","0.0003","15.7597","0.0003","90","","90","","90","","3238.49","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N2 O8 Re2 -","- C14 H6 N2 O8 Re2 -","- C112 H48 N16 O64 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","1.54184","CuKα","","0.0353","0.0332","","","0.0844","0.086","","","","","","1.135","","","","has coordinates","256784","2020-10-21","18:00:00",""
"7241313","7.4811","0.0003","7.2879","0.0003","19.9293","0.0012","90","","98.283","0.005","90","","1075.24","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N5 -","- C11 H8 Br N5 -","- C44 H32 Br4 N20 -","4","1","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.1007","0.0538","","","0.087","0.1082","","","","","","1.049","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241314","15.3058","0.0005","12.5506","0.0003","15.1113","0.0004","90","","99.054","0.003","90","","2866.67","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br2 Cl4 N10 Zn2 -","- C22 H16 Br2 Cl4 N10 Zn2 -","- C88 H64 Br8 Cl16 N40 Zn8 -","4","0.5","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.0278","0.0186","","","0.0434","0.0441","","","","","","0.925","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241316","21.071","0.003","21.271","0.003","36.786","0.005","80.137","0.004","82.278","0.004","78.032","0.004","15807","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H294 Ag32 Au12 P4 S26 -","- C280 H294 Ag32 Au12 P4 S26 -","- C560 H588 Ag64 Au24 P8 S52 -","2","1","","He, Lizhong; He, Xinhai; wang, junbo; qu, yinhu; Su, Xiaolei; zheng, jioajiao; zhao, xiaoliang","The positional isomerism in the bimetal nanocluster","CrystEngComm","2020","","","","","10.1039/D0CE01334J","","","0.71073","MoKα","","0.1697","0.0963","","","0.2516","0.3022","","","","","","1.033","","","","has coordinates","256816","2020-10-21","18:00:00",""
"7241317","18.4309","0.0002","13.5312","0.0001","18.5524","0.0002","90","","97.887","0.001","90","","4583.06","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N3 Na Ni4 O18 P3 -","- C35 H55 N3 Na Ni4 O18 P3 -","- C140 H220 N12 Na4 Ni16 O72 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0333","0.0285","","","0.0738","0.0766","","","","","","1.044","","","","has coordinates","256817","2020-10-21","18:00:00",""
"7241318","15.476","0.001","24.1101","0.0017","18.3598","0.0013","90","","113.266","0.002","90","","6293.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N3 Na Ni4 O19 P3 -","- C48 H56 N3 Na Ni4 O19 P3 -","- C192 H224 N12 Na4 Ni16 O76 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0893","0.0729","","","0.1952","0.2033","","","","","","1.047","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241319","14.5663","0.001","18.8563","0.0013","20.5672","0.0014","96.8765","0.0016","90.3808","0.0017","104.564","0.002","5424.3","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C138 H174 Br12 N12 Na4 Ni16 O72 P12 -","2","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0912","0.0641","","","0.1678","0.1823","","","","","","1.004","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241322","15.666","0.0016","7.1513","0.0007","17.0738","0.0017","90","","111.938","0.005","90","","1774.3","0.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TPCB","rctt-tetrakis-(5-pyrimidyl)-cyclobutane","","- C20 H16 N8 -","- C20 H16 N8 -","- C80 H64 N32 -","4","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0677","0.0577","","","0.1333","0.14","","","","","","1.119","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241323","8.9258","0.0005","9.1762","0.0006","14.6465","0.0008","82.686","0.002","74.068","0.002","72.653","0.002","1099.72","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","rctt-1,2,3,4-tetrakis-(5-pyrimdyl)cyclobutane tetrachloro-1,4-diiodobenzne","","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","1","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0283","0.0225","","","0.048","0.0499","","","","","","1.048","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241324","8.8412","0.0019","9.012","0.002","12.227","0.003","70.384","0.003","71.053","0.003","77.807","0.004","862.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 Br5 N O4 -","- C13 H6 Br5 N O4 -","- C26 H12 Br10 N2 O8 -","2","1","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0491","0.0407","","","0.1123","0.1179","","","","","","1.095","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241325","8.914","0.002","10.446","0.003","10.466","0.003","65.089","0.007","86.05","0.008","75.658","0.008","855.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0834","0.0694","","","0.2164","0.2302","","","","","","1.09","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241326","9.0292","0.001","9.4163","0.0011","12.2764","0.0014","108.671","0.002","108.502","0.002","93.051","0.002","923.69","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0348","0.0305","","","0.0762","0.0785","","","","","","1.059","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241327","9.4075","0.0004","18.8184","0.0005","21.0347","0.0009","90","","90","","90","","3723.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H42 Br16 N8 O21 -","- C52 H42 Br16 N8 O21 -","- C104 H84 Br32 N16 O42 -","2","0.25","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71069","MoKα","","0.0619","0.0368","","","0.0769","0.0868","","","","","","1.073","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241328","12.374","0.003","12.165","0.003","17.437","0.005","90","","91.265","0.004","90","","2624.1","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C16 H96 Ag8 Mo20 N16 O100 P8 -","4","0.5","","Niu, Jingyang; Hua, Jiai; Yuan, Xin; Ma, Xiang; Ma, Pengtao; Wang, Jingping","A silver-substituted phosphomolybdate prevents the growth of bacteria without affecting the balance of reactive oxygen species","CrystEngComm","2020","","","","","10.1039/D0CE01283A","","","0.71073","MoKα","","0.0203","0.0189","","","0.0461","0.0468","","","","","","1.075","","","","has coordinates","256844","2020-10-21","18:00:00",""
"7241329","14.07","0.003","14.72","0.003","15.43","0.003","66.56","0.03","67.55","0.03","76.46","0.03","2697","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","1","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0493","0.0434","","","0.116","0.1203","","","","","","1.071","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241330","16.713","0.003","17.962","0.004","16.109","0.003","90","","108.93","0.03","90","","4574.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 O11 S3 -","- C50 H54 O11 S3 -","- C200 H216 O44 S12 -","4","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0701","0.0462","","","0.1098","0.1227","","","","","","1.027","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241331","33.388","0.005","33.388","0.005","22.267","0.004","90","","90","","120","","21497","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H84 N2 O18 Zn -","- C94 H84 N2 O18 Zn -","- C846 H756 N18 O162 Zn9 -","9","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0888","0.0707","","","0.2102","0.2269","","","","","","1.042","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241332","26.971","0.005","23.006","0.005","35.506","0.007","90","","90","","90","","22031","8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H120 N6 O27 S4 Zn3 -","- C102 H120 N6 O27 S4 Zn3 -","- C816 H960 N48 O216 S32 Zn24 -","8","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79312","synchrotron","","0.0943","0.0625","","","0.1719","0.1947","","","","","","1.036","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241333","10.3969","0.0006","18.2975","0.0009","19.3503","0.0008","96.169","0.004","96.545","0.004","105.325","0.005","3490.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Dy2 N6 O32 P8 -","- C50 H56 Dy2 N6 O28 P8 -","- C100 H112 Dy4 N12 O56 P16 -","2","1","","Wang, Guo-Ming; Wei, Wu-Ji; Zhang, Qian; Li, Qi; Chen, Yao-Yao; Gao, Pei; Li, Wei; Hu, Ji-Xiang","Triple responsive room temperature luminescence, photochromism and photomagnetism in a Dy(III)-based linear chain complex","CrystEngComm","2020","","","","","10.1039/D0CE01268H","","","0.71073","MoKα","","0.0576","0.0381","","","0.0876","0.0952","","","","","","0.999","","","","has coordinates","256877","2020-10-21","18:00:00",""
"7241340","7.7317","0.0013","11.617","0.002","20.846","0.004","90","","92.684","0.002","90","","1870.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Br6 N2 O Pb2 -","- C4 H16 Br6 N2 O Pb2 -","- C16 H64 Br24 N8 O4 Pb8 -","4","1","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0627","0.0413","","","0.0929","0.1015","","","","","","1.016","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241341","14.597","0.004","12.063","0.003","21.211","0.007","90","","91.264","0.003","90","","3734","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H40 Br10 N4 Pb3 -","- C14 H40 Br10 N4 Pb3 -","- C56 H160 Br40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0822","0.0518","","","0.1211","0.1349","","","","","","1.041","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241342","8.194","0.015","19.75","0.04","14.33","0.03","90","","92.072","0.017","90","","2318","8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br6 N2 O Pb2 -","- C9 H21 Br6 N2 O Pb2 -","- C36 H84 Br24 N8 O4 Pb8 -","4","2","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0778","0.0361","","","0.0535","0.0621","","","","","","0.952","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241343","24.6238","0.0017","11.6554","0.0008","14.3516","0.001","90","","124.349","0.003","90","","3400.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H40 Cl10 N4 Pb3 -","- C14 H40 Cl10 N4 Pb3 -","- C56 H160 Cl40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0317","0.0242","","","0.0551","0.0575","","","","","","1.06","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241344","35.4","0.7","5.28","0.11","22.6","0.5","90","","118.2","0.5","90","","3723","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Claritin","Loratadine","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Das, Partha P.; Mugnaioli, Enrico; Andrusenko, Iryna; Galanis, Athanassios S.; van de Streek, Jacco; Nicolopoulos, Stavros; Gemmi, Mauro; Wagner, Trixie","Structural Analysis of Metastable Pharmaceutical Loratadine Form II, by 3D Electron Diffraction and DFT+D Energy Minimisation","CrystEngComm","2020","","","","","10.1039/D0CE01216E","","electron","0.0335","electron","","0.5758","0.5807","","","0.8072","0.8195","","","","","","3.488","","","","has coordinates","256970","2020-10-21","18:00:00",""
"7241348","16.8773","0.0005","10.5015","0.0003","19.9631","0.0007","90","","90","","90","","3538.2","0.19","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd2 N13 O2 -","- C13 H7 Cd2 N13 O2 -","- C104 H56 Cd16 N104 O16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0439","0.0364","","","0.11","0.1148","","","","","","1.052","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241349","13.8461","0.0003","13.8461","0.0003","23.381","0.001","90","","90","","90","","4482.5","0.2","273","2","273.15","","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 N13 O3.5 Zn2 -","- C13 H5 N13 O1.5 Zn2 -","- C104 H40 N104 O12 Zn16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0836","0.0829","","","0.2219","0.224","","","","","","1.038","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241350","12.2664","0.0001","25.5555","0.0002","14.0136","0.0001","90","","95.385","0.001","90","","4373.51","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl3 N3 O2 Ru S -","- C38 H46 Cl3 N3 O2 Ru S -","- C152 H184 Cl12 N12 O8 Ru4 S4 -","4","1","","Kia, Reza","Non-covalent Sulfoxide…(Nitrosyl Group) Interactions Involving Coordinated Nitrosyl in a Ru(II) Nitrosyl Complex with α-Diimine Ligand: Structural and Computational Studies","CrystEngComm","2020","","","","","10.1039/D0CE01063D","","","1.54184","CuKα","","0.0641","0.0617","","","0.1424","0.1433","","","","","","1.288","","","","has coordinates","257196","2020-10-21","18:00:00",""
"7241351","36.5063","0.0013","36.5063","0.0013","28.7488","0.0011","90","","90","","120","","33181","2","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H270 Co24 N18 O84 S30 -","- C270 H270 Co24 N18 O84 S30 -","- C810 H810 Co72 N54 O252 S90 -","3","0.166667","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.1528","0.1198","","","0.3145","0.3424","","","","","","1.292","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241352","49.4477","0.0009","49.4477","0.0009","39.5019","0.001","90","","90","","120","","83645","3","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C164 H176 Co8 N3 O20 S16 -","- C164 H176 Co8 N3 O20 S16 -","- C2952 H3168 Co144 N54 O360 S288 -","18","0.5","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.0794","0.0628","","","0.1579","0.172","","","","","","0.989","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241353","12.4741","0.0011","23.658","0.002","16.9381","0.0015","90","","99.71","0.002","90","","4927","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Er N2 O6 -","- C57 H45 Er N2 O6 -","- C228 H180 Er4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0939","0.0536","","","0.0968","0.1047","","","","","","1.008","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241354","10.4163","0.0011","21.9688","0.0019","16.7477","0.0015","90","","94.344","0.002","90","","3821.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Er N3 O9 -","- C42 H34 Er N3 O9 -","- C168 H136 Er4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.1019","0.0609","","","0.1282","0.1422","","","","","","1.06","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241355","10.2307","0.0001","21.9678","0.0002","16.5575","0.0002","90","","93.802","0.001","90","","3713.04","0.07","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Dy N3 O9 -","- C42 H34 Dy N3 O9 -","- C168 H136 Dy4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","x-ray","1.54184","CuKα","","0.048","0.0433","","","0.1056","0.1085","","","","","","1.056","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241356","12.332","0.0003","23.147","0.0005","16.8143","0.0004","90","","100.087","0.002","90","","4725.43","0.19","180","0.1","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Dy N2 O6 -","- C57 H45 Dy N2 O6 -","- C228 H180 Dy4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0491","0.034","","","0.0861","0.0966","","","","","","1.091","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241357","10.7133","0.0007","18.9023","0.0011","21.6443","0.0013","90","","90","","90","","4383.1","0.5","150.15","","150.15","","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C18 H30 Cs N10 Nd O7 Re6 S8 -","- C18 H30 Cs N10 Nd O7.16 Re6 S8 -","- C72 H120 Cs4 N40 Nd4 O28.64 Re24 S32 -","4","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.0186","0.0172","","","0.0374","0.0377","","","","","","1.175","","","","has coordinates","258211","2020-10-21","18:00:00",""
"7241358","10.8248","0.0017","10.8248","0.0017","32.123","0.005","90","","90","","120","","3259.8","0.9","150","0.1","150","0.1","","","","","","","","8","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H30 Cs N10 O7 Re6 Se8 Tb -","- C18 H28 Cs N10 O6 Re6 Se8 Tb -","- C54 H84 Cs3 N30 O18 Re18 Se24 Tb3 -","3","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.052","0.0448","","","0.1082","0.1108","","","","","","1.107","","","","has coordinates,has disorder","258211","2020-10-21","18:00:00",""
"7241359","16.8431","0.0004","44.1352","0.0007","27.1376","0.0006","90","","107.142","0.002","90","","19277.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H101 Dy12 N20 O58 -","- C114 H101 Dy12 N20 O58 -","- C456 H404 Dy48 N80 O232 -","4","0.5","","Wang, Wei; Zhang, Jing; Zhao, Ji-Hai; He, Yuan-Chun; Li, Meng-Ting; Yu, Yang","Lanthanide(III) Dodecanuclear Structure with Acylyhydrazone Schiff-base Ligand: Slow Magnetic Relaxation and Magnetocaloric Effects","CrystEngComm","2020","","","","","10.1039/D0CE01339K","","x-ray","0.71073","MoKα","","0.0358","0.0298","","","0.1046","0.1091","","","","","","1.148","","","","has coordinates,has disorder","258212","2020-10-21","18:00:00",""
"7241373","5.868","0.004","9.531","0.006","10.618","0.006","107.56","0.05","93.87","0.06","106.2","0.06","536.2","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1255","0.0447","","","0.0986","0.124","","","","","","0.986","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241374","11.429","0.004","7.888","0.003","7.254","0.003","90","","99.2","0.03","90","","645.5","0.4","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O2 S4 -","- C9 H8 N2 O2 S4 -","- C18 H16 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1078","0.0563","","","0.1445","0.1713","","","","","","1.034","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241375","12.6138","0.0004","5.52905","0.00016","16.8453","0.0005","90","","100.868","0.0015","90","","1153.76","0.06","274","","274","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O2 S4 -","- C26 H16 N2 O2 S4 -","- C52 H32 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1625","0.1024","","","0.2524","0.3367","","","","","","1.235","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241376","4.8107","0.0004","9.0732","0.0006","11.0382","0.0006","108.24","0.003","98.143","0.004","96.693","0.004","446.3","0.05","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1228","0.0796","","","0.1775","0.2371","","","","","","0.972","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241377","25.445","0.006","8.045","0.004","7.101","0.002","90","","93.45","0.02","90","","1451","0.9","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1038","0.0447","","","0.117","0.1402","","","","","","1.014","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241378","14.3245","0.0009","4.9698","0.0003","19.9041","0.0012","90","","106.595","0.003","90","","1357.95","0.15","274","","274","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1507","0.074","","","0.1579","0.2123","","","","","","0.876","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241379","26.578","0.007","7.813","0.003","7.2475","0.0012","90","","93.773","0.017","90","","1501.7","0.7","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1071","0.0431","","","0.114","0.1402","","","","","","1.018","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241384","16.6683","0.0012","7.2365","0.0004","14.3065","0.0012","90","","119.049","0.01","90","","1508.6","0.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C40 H24 Ag4 Cl16 N12 O12 -","4","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0379","0.0268","","","0.069","0.0723","","","","","","1.026","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241385","8.2976","0.0005","13.7115","0.0009","14.1141","0.0009","73.313","0.006","80.742","0.005","81.585","0.005","1509.6","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Ag2 Cl8 N6 O6 -","- C20 H12 Ag2 Cl8 N6 O6 -","- C40 H24 Ag4 Cl16 N12 O12 -","2","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0477","0.0337","","","0.0861","0.0901","","","","","","1.043","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241386","8.1687","0.0006","13.9793","0.001","14.6804","0.0008","90","","90","","90","","1676.39","0.19","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0434","0.0327","","","0.0678","0.0723","","","","","","1.021","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241387","19.2103","0.0003","19.2103","0.0003","16.6266","0.0005","90","","90","","90","","6135.8","0.2","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C160 H96 Ag16 Cl64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.035","0.0249","","","0.0614","0.0639","","","","","","1.052","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241388","8.3416","0.0004","20.5345","0.0012","9.6839","0.0006","90","","103.852","0.006","90","","1610.52","0.16","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0443","0.035","","","0.0888","0.0942","","","","","","1.054","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241389","19.3089","0.0008","19.3089","0.0008","17.5217","0.0012","90","","90","","90","","6532.7","0.6","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C160 H96 Ag16 Br64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0559","0.0306","","","0.0586","0.063","","","","","","1.055","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241391","6.5678","0.0008","6.0983","0.0007","7.8715","0.0008","90","","90","","90","","315.27","0.06","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0281","0.0254","","","0.0661","0.0671","","","","","","1.105","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241392","6.5224","0.0011","6.0741","0.0008","7.8268","0.0012","90","","90","","90","","310.08","0.08","228","2","228","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0299","0.0284","","","0.0683","0.0692","","","","","","1.126","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241393","6.4914","0.0005","6.0556","0.0005","7.802","0.0005","90","","90","","90","","306.69","0.04","156","2","156","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0273","0.0259","","","0.0661","0.0672","","","","","","1.109","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241394","6.5045","0.0006","6.064","0.0006","7.8072","0.0009","90","","90","","90","","307.94","0.05","192","2","192","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0287","0.0266","","","0.0668","0.0684","","","","","","1.173","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241395","6.5399","0.0011","6.0841","0.0007","7.8385","0.0012","90","","90","","90","","311.89","0.08","264","2","264","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0277","0.0263","","","0.0644","0.0652","","","","","","1.122","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241396","25.0469","0.0004","10.1507","0.0002","16.1021","0.0003","90","","100.547","0.001","90","","4024.69","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu2 N10 O4 Zn -","- C40 H36 Cu2 N10 O4 Zn -","- C160 H144 Cu8 N40 O16 Zn4 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0643","0.0508","","","0.165","0.1767","","","","","","1.43","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241397","25.3683","0.0016","10.4046","0.0007","15.3557","0.0009","90","","94.108","0.004","90","","4042.7","0.4","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C148 H152 Cd4 Cl4 Cu8 N20 O36 S4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0561","0.0454","","","0.1196","0.1303","","","","","","1.136","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241398","18.017","0.003","12.935","0.002","19.308","0.003","90","","117.267","0.002","90","","3999.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cu2 N7 O4 S2 Zn -","- C40 H39 Cu2 N7 O4 S2 Zn -","- C160 H156 Cu8 N28 O16 S8 Zn4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0935","0.0434","","","0.0981","0.1192","","","","","","0.938","","","","has coordinates","258353","2020-10-21","18:00:00",""
"7241399","25.5879","0.0019","10.0363","0.0008","15.8719","0.0012","90","","99.931","0.003","90","","4015","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cd Cu2 N10 O4 -","- C39.9998 H36 Cd Cu2 N9.9998 O4 -","- C159.999 H144 Cd4 Cu8 N39.9992 O16 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0672","0.052","","","0.1611","0.1694","","","","","","1.485","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241400","6.4413","0.0005","11.5184","0.001","12.4869","0.0011","90","","102.852","0.0013","90","","903.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dibromo-N,N-dimethyl-N,N-diphenylfumaramide","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C36 H32 Br4 N4 O4 -","2","0.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.0402","0.0289","","","0.0669","0.0713","","","","","","1.048","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241401","18.21","0.02","7.066","0.008","19.77","0.02","90","","110.968","0.01","90","","2375","4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N, N-dimethyl-N, N-diphenylfumaramide","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C108 H108 N12 O12 -","6","1.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.221","0.0898","","","0.2022","0.2795","","","","","","0.959","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241408","7.1634","0.0001","17.9692","0.0003","13.1115","0.0002","90","","101.212","0.002","90","","1655.51","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F N2 O8 -","- C19 H13 F N2 O8 -","- C76 H52 F4 N8 O32 -","4","1","","Lv, Wen-Ting; Liu, Xiao-Xu; Dai, Xia-Lin; Long, Xiangtian; Chen, Jia-Mei","A 5-fluorouracil-kaempferol drug-drug cocrystal: ternary phase diagram, characterization and property evaluation","CrystEngComm","2020","","","","","10.1039/D0CE01289K","","x-ray","1.54184","CuKα","","0.0467","0.0438","","","0.1172","0.1197","","","","","","1.069","","","","has coordinates","258456","2020-10-21","18:00:00",""
"7241414","8.279","0.017","11.9","0.03","20.37","0.04","90","","90","","90","","2007","8","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Phe-Aib-OMe","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","","0.71073","MoKα","","0.0873","0.0586","","","0.1296","0.146","","","","","","0.96","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241415","10.9817","0.0006","5.3645","0.0003","14.6541","0.0009","90","","109.547","0.006","90","","813.54","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","N-PhenylGly-Phe-OMe","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1009","0.1027","","","","","","1.048","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241416","11.6077","0.0004","5.8948","0.0002","23.3133","0.001","90","","100.55","0.004","90","","1568.25","0.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Gly-Aib-OMe","","","- C12 H22 N2 O5 -","- C12 H22 N2 O5 -","- C48 H88 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0618","0.0465","","","0.1188","0.1307","","","","","","1.05","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241419","14.167","0.0002","14.5777","0.0002","17.038","0.0002","89.14","0.001","79.848","0.001","62.998","0.001","3077.58","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 N8 O17 Zn2 -","- C76 H42 N8 O17 Zn2 -","- C152 H84 N16 O34 Zn4 -","2","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0412","0.0391","","","0.1126","0.1144","","","","","","1.041","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241420","18.6379","0.0002","11.3482","0.0001","28.6405","0.0003","90","","90","","90","","6057.66","0.11","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0684","0.0694","","","","","","1.073","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241434","21.8025","0.0003","26.2621","0.0004","29.1639","0.0004","90","","90","","90","","16698.6","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C38 H31 Ag4 N18 O4.5 -","- C38 H29 Ag4 N18 O4.5 -","- C608 H464 Ag64 N288 O72 -","16","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","1.54178","CuKα","","0.0331","0.0301","","","0.0769","0.0782","","","","","","1.027","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241435","14.8663","0.0011","7.3955","0.0008","20.839","0.002","90","","119.363","0.006","90","","1996.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Ag3 I N9 -","- C19 H11 Ag3 I N9 -","- C76 H44 Ag12 I4 N36 -","4","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","0.71073","MoKα","","0.0959","0.0513","","","0.1049","0.1334","","","","","","0.992","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241436","13.8553","0.0013","14.7279","0.0014","17.3368","0.0016","77.107","0.002","69.802","0.002","85.275","0.002","3236.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H15 Au F13 P -","- C36 H15 Au F13 P -","- C144 H60 Au4 F52 P4 -","4","2","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0523","0.0406","","","0.0969","0.1033","","","","","","1.002","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241437","14.723","0.002","12.174","0.0018","24.203","0.004","90","","99.761","0.003","90","","4275.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H18 Au Cl5 F15 P -","- C43 H18 Au Cl5 F15 P -","- C172 H72 Au4 Cl20 F60 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0489","0.0392","","","0.0935","0.0976","","","","","","0.999","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241438","8.861","0.003","9.823","0.004","19.31","0.007","83.09","0.006","89.197","0.007","77.683","0.007","1630","1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H20 Au F10 P -","- C37 H20 Au F10 P -","- C74 H40 Au2 F20 P2 -","2","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0481","0.0395","","","0.091","0.1021","","","","","","1.026","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241439","10.384","0.0004","15.1675","0.0006","24.3914","0.001","90","","96.95","0.004","90","","3813.4","0.3","200.1","0.3","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H16 Au Cl5 F13 P -","- C37 H16 Au Cl5 F13 P -","- C148 H64 Au4 Cl20 F52 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0474","0.0355","","","0.0694","0.0733","","","","","","1.035","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241440","29.979","0.005","29.979","0.005","23.525","0.009","90","","90","","120","","18310","8","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H20 Au Cl2 F10 P -","- C37 H20 Au Cl2 F10 P -","- C666 H360 Au18 Cl36 F180 P18 -","18","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.129","0.0595","","","0.1254","0.1475","","","","","","0.905","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241441","22.855","0.006","18.306","0.005","18.508","0.005","90","","107.093","0.005","90","","7401","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H17 Au F15 P -","- C42 H17 Au F15 P -","- C336 H136 Au8 F120 P8 -","8","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0905","0.0593","","","0.1069","0.1164","","","","","","1.094","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241442","8.3201","0.0001","11.5563","0.0002","18.7213","0.0003","95.4904","0.0013","96.5217","0.0013","91.8701","0.0014","1778.47","0.05","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O8 S -","- C31.5 H49 N5 O8 S -","- C63 H98 N10 O16 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0502","0.0483","","","0.1276","0.1308","","","","","","1.068","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241443","13.2585","0.0007","12.4082","0.0006","22.8754","0.001","90","","94.548","0.004","90","","3751.5","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.56 H49.63 Cl1.44 N5 O8.52 S -","- C30.557 H49.633 Cl1.443 N5 O8.519 S -","- C122.228 H198.532 Cl5.772 N20 O34.076 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.1186","0.0661","","","0.1722","0.2188","","","","","","1.074","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241444","8.2771","0.0001","11.408","0.0003","19.4068","0.0004","89.945","0.002","79.642","0.001","88.733","0.002","1802.18","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O9 S -","- C31.5 H49 N5 O9 S -","- C63 H98 N10 O18 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54184","CuKα","","0.0505","0.0446","","","0.1282","0.135","","","","","","1.108","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241445","13.8934","0.0004","15.6619","0.0003","16.0905","0.0004","90","","108.069","0.003","90","","3328.58","0.15","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Br N5 O8 S -","- C27 H42 Br N5 O8 S -","- C108 H168 Br4 N20 O32 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","0.71075","MoKα","","0.068","0.0524","","","0.1143","0.1213","","","","","","1.053","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241446","18.01208","0.00008","16.32819","0.00008","22.3516","0.0001","90","","90","","90","","6573.71","0.05","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 N5 O8 S -","- C28 H45 N5 O8 S -","- C224 H360 N40 O64 S8 -","8","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0435","0.0409","","","0.1179","0.12","","","","","","1.024","","","","has coordinates","259282","2020-11-29","02:22:40",""
"7241447","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241448","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241449","13.2389","0.0006","14.3168","0.0007","19.9089","0.001","71.557","0.004","74.917","0.004","75.843","0.003","3401.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H59 Ce3 N4.5 O24.5 -","- C64.5 H59 Ce3 N4.5 O24.4999 -","- C129 H118 Ce6 N9 O48.9998 -","2","1","","Wasson, Megan C.; Otake, Ken-ichi; Gong, Xinyi; Strathman, Annabella R.; Islamoglu, Timur; Gianneschi, Nathan C.; Farha, Omar K.","Modulation of crystal growth and structure within cerium-based metal‒organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE01223H","","","1.54178","CuKα","","0.0729","0.0527","","","0.1235","0.1338","","","","","","1.017","","","","has coordinates,has disorder","259284","2020-11-29","02:24:22",""
"7241450","24.3727","0.0011","5.3458","0.0002","36.3946","0.0017","90","","106.501","0.005","90","","4546.6","0.4","159.99","0.1","159.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.0889","0.0554","","","0.1366","0.1571","","","","","","1.035","","","","has coordinates","259285","2020-11-29","02:25:00",""
"7241451","21.7077","0.0006","5.1464","0.0001","22.8388","0.0004","90","","94.345","0.002","90","","2544.14","0.1","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.07","0.0509","","","0.1345","0.1496","","","","","","1.032","","","","has coordinates","259285","2020-11-29","02:25:01",""
"7241452","6.9033","0.0007","21.7637","0.0019","7.8394","0.0006","90","","116.004","0.003","90","","1058.57","0.17","260","2","260","","","","","","","","","5","P 1 21 1","P 2yb","4","","DOST","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Yu, Zhe; Wang, Tianhua; Wang, Guanjun; Xu, Kai; Cui, Qingtang; Cao, Lifeng; Teng, Bing","Synthesis, growth, structure analysis and performance characterization of DOST crystal: a nonlinear functional material with a wide range of applications","CrystEngComm","2020","","","","","10.1039/D0CE01243B","","","0.71073","MoKα","","0.0798","0.0499","","","0.0933","0.1078","","","","","","1.054","","","","has coordinates","259286","2020-11-29","02:25:26",""
"7241453","16.9329","0.0001","16.7397","0.0001","24.8806","0.0002","90","","90","","90","","7052.45","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3.61 H1.55 O2.06 S0.26 Zn0.39 -","- C3.6129 H1.41935 O2.06452 S0.258065 Zn0.387097 -","- C112 H44 O64 S8 Zn12 -","31","3.875","","Tu, Qian-Qian; Ren, Ling-Ling; Cheng, Ai-Ling; Gao, En-Qing","Fabrication of a dual-emitting RhB@Zn-1 composite as a recyclable luminescent sensor for sensitive detection of nitrofuran antibiotics","CrystEngComm","2021","23","3","629","637","10.1039/D0CE01483D","","","1.54184","CuKα","","0.0372","0.0347","","","0.0958","0.0974","","","","","","1.067","","","","has coordinates","261631","2021-02-04","23:04:54",""
"7241454","9.779","0.0004","10.111","0.0004","18.6534","0.0008","90","","101.536","0.002","90","","1807.11","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cu3 N14 O12 -","- C24 H38 Cu3 N14 O12 -","- C48 H76 Cu6 N28 O24 -","2","0.5","","Dolai, Malay; Saha, Urmila; Biswas, Surajit; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha","DNA intercalative trinuclear Cu(ii) complex with new trans axial nitrato ligation as an efficient catalyst for atmospheric CO2 fixation to epoxides","CrystEngComm","2020","","","","","10.1039/D0CE01152E","","","0.71073","MoKα","","0.068","0.0416","","","0.1048","0.1158","","","","","","1.005","","","","has coordinates","259288","2020-11-29","02:26:14",""
"7241455","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.0662","0.0542","","","0.1442","0.1507","","","","","","1.09","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241456","8.016","0.0005","8.016","0.0005","15.1863","0.0012","90","","90","","120","","845.08","0.1","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.1049","0.0887","","","0.229","0.2461","","","","","","1.01","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241457","9.4609","0.0008","10.3877","0.0009","11.0504","0.0008","115.254","0.003","107.794","0.003","90.967","0.003","921.44","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 O14 Tb -","- C16 H6 O14 Tb -","- C32 H12 O28 Tb2 -","2","1","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0237","0.0221","","","0.0558","0.0562","","","","","","1.129","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241458","7.9806","0.0008","9.954","0.0009","10.8426","0.0011","74.62","0.003","74.092","0.003","73.803","0.003","778.67","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 O25 Sm2 -","- C24 H8 O25 Sm2 -","- C24 H8 O25 Sm2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0242","0.0232","","","0.0605","0.0608","","","","","","1.136","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241459","16.982","0.002","10.8156","0.0015","20.008","0.002","90","","105.231","0.004","90","","3545.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Gd4 O58 -","- C48 H12 Gd4 O58.372 -","- C96 H24 Gd8 O116.744 -","2","0.25","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0813","0.083","","","","","","1.142","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241460","9.3864","0.0007","10.0102","0.0007","10.3408","0.0008","107.622","0.003","99.379","0.003","110.08","0.003","830.17","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 O23 Y2 -","- C24 H6 O23 Y2 -","- C24 H6 O23 Y2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0366","0.0323","","","0.0928","0.0946","","","","","","1.081","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241461","10.9491","0.0014","12.8463","0.0016","11.5619","0.0014","90","","102.493","0.004","90","","1587.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Gd2 O25 -","- C24 H8 Gd2 O25 -","- C48 H16 Gd4 O50 -","2","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0254","0.0244","","","0.0622","0.0628","","","","","","1.082","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241462","26.912","0.002","26.912","","26.912","","90","","90","","90","","19491.2","1.4","296","2","296","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C16 H19 O15 Pr -","- C16 H6 O15 Pr -","- C384 H144 O360 Pr24 -","24","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.1372","0.1222","","","0.3309","0.4051","","","","","","1.955","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241463","4.848","0.0002","5.7558","0.0002","27.297","0.0012","89.436","0.003","89.331","0.002","84.313","0.002","757.87","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.0648","0.0531","","","0.1194","0.1224","","","","","","1.158","","","","has coordinates","259291","2020-11-29","02:29:28",""
"7241464","4.8398","0.0005","5.8172","0.0006","28.1649","0.0017","90.457","0.006","91.51","0.006","95.03","0.007","789.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.1878","0.0934","","","0.2207","0.2497","","","","","","1.044","","","","has coordinates","259291","2020-11-29","02:29:29",""
"7241465","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","261586","2021-02-04","22:54:38",""
"7241466","10.23633","0.00014","16.7834","0.0003","13.50677","0.00018","90","","97.0002","0.0013","90","","2303.17","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0381","0.0315","","","0.0811","0.0862","","","","","","1.027","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241467","10.1802","0.00009","16.57028","0.00017","13.45064","0.00012","90","","97.078","0.0008","90","","2251.68","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0267","0.0249","","","0.064","0.0656","","","","","","1.026","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241468","10.15307","0.00007","16.4993","0.00013","13.41809","0.0001","90","","97.0345","0.0007","90","","2230.86","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0233","0.0226","","","0.058","0.0584","","","","","","1.039","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241469","10.20882","0.00012","16.6674","0.0002","13.48201","0.00016","90","","97.0862","0.0011","90","","2276.5","0.05","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0303","0.0273","","","0.07","0.0722","","","","","","1.005","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241470","10.22154","0.00011","16.7214","0.0002","13.49259","0.00015","90","","97.0519","0.0011","90","","2288.69","0.05","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0322","0.0279","","","0.072","0.0754","","","","","","1.017","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241471","5.3989","0.0003","10.1581","0.0005","23.3868","0.0012","90","","90.508","0.002","90","","1282.54","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.07","0.0667","","","0.2082","0.2145","","","","","","1.069","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241472","13.6157","0.0014","14.5331","0.0016","18.1322","0.0019","109.291","0.003","110.987","0.003","95.422","0.003","3068.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 N5 O10 Zn -","- C28 H41 N5 O10 Zn -","- C112 H164 N20 O40 Zn4 -","4","2","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1064","0.0901","","","0.2286","0.2389","","","","","","1.108","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241473","15.2574","0.0003","7.1581","0.0001","13.6618","0.0003","90","","102.27","0.0006","90","","1457.98","0.05","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C26 H32 Cu2 F6 N4 O6 Si -","- C26 H32 Cu2 F6 N4 O6 Si -","- C52 H64 Cu4 F12 N8 O12 Si2 -","2","0.25","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0357","0.0332","","","0.0931","0.0961","","","","","","1.079","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241474","9.4517","0.0014","10.1415","0.0014","10.5338","0.0015","107.386","0.007","91.631","0.008","92.042","0.008","962.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 N3 Ni O8 -","- C15 H25 N3 Ni O8 -","- C30 H50 N6 Ni2 O16 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.1196","0.0887","","","0.2411","0.2785","","","","","","1.02","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241475","11.8828","0.0004","7.2916","0.0002","17.5807","0.0006","90","","92.6591","0.0006","90","","1521.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu2 N6 O12 -","- C26 H34 Cu2 N6 O12 -","- C52 H68 Cu4 N12 O24 -","2","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0301","0.0297","","","0.0867","0.0874","","","","","","1.057","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241476","22.063","0.009","5.803","0.002","24.656","0.01","90","","105.727","0.007","90","","3039","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O9 -","- C32 H29 N4 Ni O9 -","- C128 H116 N16 Ni4 O36 -","4","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1571","0.0705","","","0.1721","0.2291","","","","","","0.994","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241477","8.0113","0.0003","9.6951","0.0003","13.9342","0.0004","90","","106.624","0.0013","90","","1037.04","0.06","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0645","0.0453","","","0.0975","0.1085","","","","","","1.054","","","","has coordinates","259294","2020-11-29","02:34:17",""
"7241478","6.358","0.002","7.684","0.003","11.573","0.004","91.215","0.013","104.219","0.011","94.232","0.012","546.1","0.3","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F5 N O S -","- C9 H6 F5 N O S -","- C18 H12 F10 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.093","0.0594","","","0.1431","0.1678","","","","","","1.044","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241479","7.0984","0.0002","21.9932","0.0006","6.5396","0.0002","90","","90","","90","","1020.94","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 O3 S -","- C9 H10 N2 O3 S -","- C36 H40 N8 O12 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0377","0.0321","","","0.0752","0.0791","","","","","","1.05","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241480","37.1149","0.0009","5.5443","0.0001","12.8872","0.0003","90","","95.9708","0.001","90","","2637.49","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C96 H136 N8 O32 S8 -","8","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0409","0.0346","","","0.0904","0.095","","","","","","1.043","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241481","8.7175","0.0004","9.9546","0.0004","12.4668","0.0005","90","","99.0234","0.0016","90","","1068.47","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.061","0.042","","","0.0977","0.1094","","","","","","1.032","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241482","8.1419","0.0002","9.5362","0.0003","13.6861","0.0004","90","","105.417","0.001","90","","1024.39","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C36 H40 Cl4 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0569","0.0382","","","0.0782","0.0878","","","","","","1.029","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241483","10.683","0.005","15.115","0.007","8.801","0.004","90","","90","","90","","1421.1","1.1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H9 F6 N O S -","- C11 H9 F6 N O S -","- C44 H36 F24 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0785","0.0376","","","0.079","0.0987","","","","","","1.047","","","","has coordinates,has disorder","259294","2020-11-29","02:34:19",""
"7241484","7.32","0.0003","11.5744","0.0005","13.5992","0.0005","80.8887","0.0015","80.9328","0.0014","80.5041","0.0017","1111.79","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0866","0.0513","","","0.1032","0.1189","","","","","","1.03","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241485","8.4215","0.0003","14.1614","0.0007","8.8819","0.0004","90","","108.134","0.002","90","","1006.65","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0784","0.0549","","","0.1328","0.1504","","","","","","1.04","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241486","34.119","0.0014","5.5552","0.0003","32.3777","0.0013","90","","90","","90","","6136.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C304 H240 N16 O16 S16 -","16","4","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1389","0.0721","","","0.1548","0.185","","","","","","1.031","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241487","11.9751","0.001","5.8514","0.0005","8.4304","0.0006","90","","103.293","0.003","90","","574.9","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1215","0.0936","","","0.2256","0.2591","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241488","7.3327","0.0006","10.8014","0.0009","12.9437","0.0011","88.123","0.003","86.737","0.003","76.071","0.003","993.23","0.14","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F N O S -","- C9 H10 F N O S -","- C36 H40 F4 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0733","0.0506","","","0.1251","0.1416","","","","","","1.036","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241489","17.044","0.002","5.763","0.0007","18.072","0.002","90","","117.231","0.004","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1248","0.0903","","","0.2083","0.2399","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241490","7.2726","0.0002","7.4019","0.0002","19.9994","0.0004","90","","97.972","0.001","90","","1066.18","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O S -","- C9 H9 Cl2 N O S -","- C36 H36 Cl8 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0426","0.0321","","","0.074","0.0802","","","","","","1.061","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241491","5.4383","0.0002","5.4383","0.0002","10.8455","0.0005","90","","90","","90","","320.76","0.02","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu1.94 S4 Sn Zn1.06 -","- Cu1.94 S4 Sn Zn1.06 -","- Cu3.88 S8 Sn2 Zn2.12 -","2","0.125","","Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V.","Cu2ZnSnS4 crystal growth using an SnCl2 based flux","CrystEngComm","2021","23","4","1025","1032","10.1039/D0CE01264E","","x-ray","0.71073","MoKα","","0.0092","0.0092","","","0.0224","0.0224","","","","","","1.053","","","","has coordinates","261608","2021-02-04","22:59:26",""
"7241492","22.0734","0.0004","4.4546","0.0001","22.931","0.0004","90","","95.154","0.002","90","","2245.65","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N4 O S3 -","- C8 H8 N4 O S3 -","- C64 H64 N32 O8 S24 -","8","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0234","0.0233","","","0.0621","0.0622","","","","","","1.042","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241493","6.976","0.0002","11.2345","0.0002","26.3305","0.0005","80.082","0.002","85.993","0.002","80.258","0.002","2001.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Br N7 O2 S6 -","- C11 H12 Br N7 O2 S6 -","- C44 H48 Br4 N28 O8 S24 -","4","2","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid–pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0286","0.0236","","","0.0533","0.055","","","","","","1.035","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7241494","9.325","0.0003","9.4506","0.0004","11.092","0.0004","108.119","0.003","91.734","0.003","112.132","0.004","848.43","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N5 O2 S5 -","- C13 H11 N5 O2 S5 -","- C26 H22 N10 O4 S10 -","2","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0236","0.0218","","","0.0542","0.0553","","","","","","1.048","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241495","17.0067","0.0003","4.5591","0.0001","24.5193","0.0003","90","","108.58","0.002","90","","1802.02","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N7 O6 S3 -","- C13 H11 N7 O6 S3 -","- C52 H44 N28 O24 S12 -","4","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0281","0.0256","","","0.0661","0.0675","","","","","","1.059","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241496","7.1053","0.0002","7.9388","0.0003","18.2289","0.0006","90","","96.723","0.001","90","","1021.18","0.06","240","2","240.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F N5 O3 -","- C20 H26 F N5 O3 -","- C40 H52 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54184","CuKα","","0.0363","0.034","","","0.0879","0.0908","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:20",""
"7241497","6.9625","0.0002","7.9457","0.0002","17.9395","0.0005","90","","94.339","0.001","90","","989.6","0.05","241","2","240.83","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N5 O3 -","- C19 H24 F N5 O3 -","- C38 H48 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0302","0.0293","","","0.0736","0.0746","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241498","7.1057","0.0002","7.8894","0.0002","15.5407","0.0004","90","","97.325","0.001","90","","864.1","0.04","240","2","240","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F N5 O2 -","- C18 H20 F N5 O2 -","- C36 H40 F2 N10 O4 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0294","0.0292","","","0.0787","0.079","","","","","","0.915","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241499","12.279","0.004","13.059","0.005","16.422","0.006","89.384","0.006","86.725","0.005","64.779","0.005","2378.1","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C87 H68 Cl8 Cu2 N12 O17 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1362","0.0775","","","0.2004","0.2266","","","","","","0.92","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241500","8.184","0.004","12.719","0.007","12.938","0.007","113.72","0.009","105.632","0.009","90.756","0.009","1176","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cu N5 O7 -","- C22 H19 Cu N5 O7 -","- C44 H38 Cu2 N10 O14 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1637","0.0773","","","0.1284","0.1512","","","","","","0.876","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241501","8.779","0.003","9.042","0.003","23.964","0.007","90","","97.906","0.004","90","","1884.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cu N8 O6 -","- C42 H30 Cu N8 O6 -","- C84 H60 Cu2 N16 O12 -","2","0.5","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1","0.0571","","","0.1049","0.1174","","","","","","0.956","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241502","13.335","0.004","16.4","0.005","8.497","0.003","90","","93.567","0.005","90","","1854.6","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C15 H14 Ag F3 N4 O3 S -","- C15 H14 Ag F3 N4 O3 S -","- C60 H56 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0915","0.0745","","","0.1621","0.1709","","","","","","1.072","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241503","16.748","0.007","9.455","0.004","4.562","0.002","90","","100.666","0.008","90","","709.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","work","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0615","0.049","","","0.1007","0.106","","","","","","1.021","","","","has coordinates,has disorder","261622","2021-02-04","23:02:47",""
"7241504","13.3761","0.0007","16.6393","0.001","8.5931","0.0005","90","","93.452","0.003","90","","1909.09","0.19","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C16 H16 Ag F3 N4 O3 S -","- C16 H16 Ag F3 N4 O3 S -","- C64 H64 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0614","0.0525","","","0.1105","0.114","","","","","","0.989","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241505","17.2606","0.0004","10.9538","0.0003","8.1564","0.0002","90","","101.455","0.001","90","","1511.41","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","work","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0424","0.0382","","","0.1023","0.1049","","","","","","1.082","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241506","9.516","0.005","11.674","0.005","11.894","0.005","112.366","0.005","112.21","0.005","96.653","0.005","1077.9","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Co0.5 Mo4 N4 O14 -","- C13 H10 Co0.5 Mo4 N4 O14 -","- C26 H20 Co Mo8 N8 O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71069","MoKα","K-L~3~","0.0284","0.0219","","","0.0587","0.0634","","","","","","1.0545","","","","has coordinates","259301","2020-11-29","02:40:24",""
"7241507","9.4894","0.0008","11.5879","0.0009","11.8821","0.001","112.196","0.001","112.175","0.001","96.767","0.002","1067.36","0.15","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C26 H22 Mo8 N8 Ni O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0288","0.0223","","","0.0601","0.0651","","","","","","1.0552","","","","has coordinates","259301","2020-11-29","02:40:25",""
"7241508","9.442","0.002","11.678","0.003","11.863","0.003","111.96","0.005","112.088","0.004","96.905","0.005","1071.1","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C26 H22 Mo8 N8 O28 Zn -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0787","0.0399","","","0.0633","0.0761","","","","","","1.0241","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241509","12.4178","0.0012","11.4533","0.0012","15.9736","0.0016","90","","102.774","0.002","90","","2215.6","0.4","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu Mo4 N4 O15 -","- C13 H10 Cu Mo4 N4 O15 -","- C52 H40 Cu4 Mo16 N16 O60 -","4","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.07","0.0396","","","0.0829","0.0951","","","","","","0.993","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241510","6.9299","0.0011","6.9584","0.001","15.946","0.002","99.753","0.005","96.384","0.005","98.812","0.005","741.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5-Fluorouracil Caffeic Acid","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(3,4-dihydroxyphenyl)acrylic acid","","- C13 H15 F N2 O8 -","- C13 H15 F N2 O8 -","- C26 H30 F2 N4 O16 -","2","1","","Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong","The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal","CrystEngComm","2020","22","45","7992","8006","10.1039/D0CE01297A","","","0.71073","MoKα","","0.155","0.0688","","","0.1339","0.1582","","","","","","1.048","","","","has coordinates","259302","2020-11-29","02:40:59",""
"7241511","11.2878","0.0004","19.5609","0.0008","12.4512","0.0004","90","","93.307","0.002","90","","2744.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 Cl2 N5 O8 Pb -","- C21 H33 Cl2 N5 O8 Pb -","- C84 H132 Cl8 N20 O32 Pb4 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0319","0.0294","","","0.0726","0.0735","","","","","","1.137","","","","has coordinates","261619","2021-02-04","23:01:55",""
"7241512","8.3269","0.0002","18.7143","0.0005","16.6875","0.0005","90","","99.729","0.003","90","","2563.05","0.12","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Br0.74 Cl1.26 N5 O6 -","- C21 H39 Br0.738 Cl1.262 N5 O6 -","- C84 H156 Br2.952 Cl5.048 N20 O24 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0421","0.0315","","","0.0689","0.0742","","","","","","1.055","","","","has coordinates,has disorder","261619","2021-02-04","23:01:59",""
"7241513","16.7209","0.0003","17.2504","0.0005","27.8319","0.0007","90","","93.438","0.002","90","","8013.4","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2-{2-[(2-chloro-6-methylphenyl)amino]phenyl}acetate","","- C41.75 H35.98 Cl4 N5 O2.75 -","- C41.745 H35.982 Cl4 N5 O2.745 -","- C333.96 H287.856 Cl32 N40 O21.96 -","8","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.087","0.0592","","","0.1683","0.1928","","","","","","1.017","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241514","10.7319","0.0004","13.6005","0.0006","21.5496","0.0009","73.502","0.004","77.404","0.004","73.54","0.004","2859.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0777","0.0521","","","0.1376","0.1602","","","","","","1.024","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241515","12.5325","0.0005","13.1139","0.0003","13.1773","0.0004","82.032","0.002","71.833","0.003","74.538","0.003","1979.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium (1+) diclofenac (1-) ethanol solvate","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0596","0.0569","","","0.1599","0.1655","","","","","","1.068","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241516","11.9326","0.0003","15.2549","0.0004","16.0042","0.0004","89.161","0.002","70.57","0.002","69.693","0.002","2559.79","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium 1+ diclofenac 1- diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.052","0.0449","","","0.1215","0.1289","","","","","","1.042","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241517","10.4132","0.0005","21.2266","0.0007","25.0657","0.0007","66.238","0.003","89.969","0.003","86.658","0.003","5060.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","nonakis(2-hydroxybenzaldehyde) tetrakis(N-[(2E)-10- (4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium) tetrakis(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hydrate","","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0751","0.0595","","","0.1527","0.1709","","","","","","1.032","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241518","12.4461","0.0006","13.2751","0.0005","13.3667","0.0006","84.423","0.003","67.963","0.004","66.662","0.004","1876.21","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium 2-{2- [(2,6-dichlorophenyl)amino]phenyl}acetate","","- C41 H33 Cl4 N5 O2 -","- C41 H33 Cl4 N5 O2 -","- C82 H66 Cl8 N10 O4 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0622","0.048","","","0.1247","0.1409","","","","","","1.028","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241519","11.6515","0.0003","11.7149","0.0003","16.0793","0.0004","103.558","0.002","90.461","0.002","105.25","0.002","2052.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene] propan-2-aminium acetonitrile 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate dihydrate","","- C43 H40 Cl4 N6 O4 -","- C43 H40 Cl4 N6 O4 -","- C86 H80 Cl8 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.032","0.0312","","","0.0795","0.0802","","","","","","1.032","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241520","10.8837","0.0002","14.4737","0.0003","17.7519","0.0004","101.568","0.002","105.173","0.002","94.286","0.002","2620.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac (1-) diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.056","0.0504","","","0.1352","0.1407","","","","","","1.047","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241521","12.5818","0.0004","13.4486","0.0003","13.5318","0.0003","80.291","0.002","71.638","0.002","71.71","0.002","2057.12","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0549","0.05","","","0.1389","0.1455","","","","","","1.063","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241522","10.5086","0.0004","13.4783","0.0005","21.4224","0.0008","73.629","0.003","76.913","0.003","73.271","0.003","2752.92","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0474","0.0351","","","0.0831","0.0903","","","","","","1.028","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241523","15.0569","0.0004","15.3773","0.0004","15.4247","0.0004","76.043","0.002","61.975","0.003","63.541","0.003","2820.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac ethylacetate solvate","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethyl acetate 2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate","","- C59 H52 Cl6 N6 O6 -","- C59 H52 Cl6 N6 O6 -","- C118 H104 Cl12 N12 O12 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0455","0.0417","","","0.1175","0.1217","","","","","","1.052","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241524","15.0694","0.0011","15.2735","0.001","15.5991","0.0013","74.882","0.007","61.685","0.008","64.227","0.007","2839.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac acetonitrile solvated cocrystal of salt","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium bis(acetonitrile) 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C59 H50 Cl6 N8 O4 -","- C59 H50 Cl6 N8 O4 -","- C118 H100 Cl12 N16 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0629","0.0496","","","0.1422","0.1589","","","","","","1.077","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241525","11.3186","0.0013","15.9262","0.0017","11.5922","0.0013","90","","118.548","0.0012","90","","1835.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Br10 N4 O2 Pb3 -","- C14 H36 Br10 N4 O2 Pb3 -","- C28 H72 Br20 N8 O4 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0684","0.0478","","","0.1565","0.1674","","","","","","1.11","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241526","11.3799","0.0008","14.9895","0.0011","11.4899","0.0008","90","","116.744","0.0008","90","","1750.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Br10 N4 Pb3 -","- C12 H36 Br10 N4 Pb3 -","- C24 H72 Br20 N8 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0726","0.0511","","","0.1486","0.1679","","","","","","0.9785","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241527","20.368","0.003","8.0895","0.0012","22.524","0.003","90","","114.569","0.0017","90","","3375.2","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 Br10 N4 Pb3 -","- C10 H32 Br10 N4 Pb3 -","- C40 H128 Br40 N16 Pb12 -","4","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0686","0.0474","","","0.1093","0.1207","","","","","","1.0423","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241528","43.481","0.007","21.109","0.003","22.589","0.004","90","","109.211","0.003","90","","19579","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 B12 Cl12 Cu N4 O4 -","- C44 H48 B12 Cl12 Cu N4 O4 -","- C352 H384 B96 Cl96 Cu8 N32 O32 -","8","1","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1325","0.0983","","","0.2539","0.2738","","","","","","1.11","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241529","13.943","0.003","14.893","0.003","15.01","0.003","94.689","0.004","104.281","0.004","115.487","0.004","2663","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","BSF-72","","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","1","0.5","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1483","0.0754","","","0.2213","0.2465","","","","","","1.085","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241530","33.475","0.003","33.475","0.003","39.463","0.005","90","","90","","90","","44221","8","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","BSF-74","","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C1088 H960 B384 Cl384 Cu32 N128 O64 -","16","2","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.0922","0.0627","","","0.1693","0.1896","","","","","","1.023","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241531","29.813","0.006","4.787","0.002","9.861","0.002","90","0.03","90","0.03","90","0.03","1407.3","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","Nicorandil-Fumaric acid salt","","","- C12 H13 N3 O8 -","- C12 H13 N3 O8 -","- C48 H52 N12 O32 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.0307","0.0284","","","0.069","0.0706","","","","","","1.072","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241532","6.835","0.002","23.752","0.005","8.939","0.002","90","","101.16","0.03","90","","1423.8","0.6","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicorandil-Subaric acid cocrystal","","","- C12 H16 N3 O6 -","- C12 H16 N3 O6 -","- C48 H64 N12 O24 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.1291","0.0606","","","0.1345","0.1635","","","","","","1.015","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241533","12.695","0.0003","11.9208","0.0003","28.7356","0.0008","90","","93.129","0.002","90","","4342.21","0.19","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 N4 Nd2 O44 Zn8 -","- C64 H90 N4 Nd2 O44 Zn8 -","- C128 H180 N8 Nd4 O88 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0448","","","0.0953","0.1067","","","","","","1.07","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241534","13.0554","0.0006","12.0662","0.0006","26.2854","0.001","90","","94.196","0.004","90","","4129.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Er2 N6 O39 Zn8 -","- C66 H84 Er2 N6 O39 Zn8 -","- C132 H168 Er4 N12 O78 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0613","0.058","","","0.1667","0.1696","","","","","","1.086","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241535","35.0049","0.0013","12.2103","0.001","17.8898","0.0009","90","","91.002","0.003","90","","7645.3","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 N10 Ni2 O30 Tb2 -","- C54 H72 N10 Ni2 O30 Tb2 -","- C216 H288 N40 Ni8 O120 Tb8 -","4","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0449","","","0.1006","0.1147","","","","","","1.058","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241536","12.8027","0.0009","11.7339","0.0008","28.8","0.002","90","","93.274","0.002","90","","4319.4","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 Dy2 N4 O40 Zn8 -","- C62 H78 Dy2 N4 O40 Zn8 -","- C124 H156 Dy4 N8 O80 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0546","0.0437","","","0.1218","0.1308","","","","","","1.028","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241537","11.3623","0.0004","15.8821","0.0006","20.216","0.0006","99.724","0.003","93.835","0.003","102.377","0.003","3491.9","0.2","173","10","173","10","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 N6 Ni3 O27 Tb2 -","- C54 H68 N6 Ni3 O27 Tb2 -","- C108 H136 N12 Ni6 O54 Tb4 -","2","1","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0516","0.0395","","","0.0957","0.1041","","","","","","1.037","","","","has coordinates","261607","2021-02-04","22:59:22",""
"7241538","12.6336","0.0015","11.8953","0.0014","28.764","0.004","90","","92.839","0.004","90","","4317.4","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N4 O40 Tb2 Zn8 -","- C62 H78 N4 O40 Tb2 Zn8 -","- C124 H156 N8 O80 Tb4 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0743","0.0584","","","0.1592","0.1728","","","","","","0.99","","","","has coordinates,has disorder","261607","2021-02-04","22:59:22",""
"7241539","27.515","0.007","19.112","0.005","27.087","0.007","90","","102.745","0.003","90","","13893","6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 O84 Pr11 -","- C76 H72 Ge12 N16 O80 Pr11 -","- C304 H288 Ge48 N64 O320 Pr44 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.0715","0.0503","","","0.1263","0.1416","","","","","","1.007","","","","has coordinates","259309","2020-11-29","02:49:26",""
"7241540","27.547","0.005","19.086","0.004","27.056","0.005","90","","103.12","0.002","90","","13854","5","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 Nd11 O84 -","- C76 H72 Ge12 N16 Nd11 O80 -","- C304 H288 Ge48 N64 Nd44 O320 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.1029","0.068","","","0.1691","0.1946","","","","","","0.999","","","","has coordinates","259309","2020-11-29","02:49:27",""
"7241541","13.353","0.003","10.6593","0.0016","13.978","0.003","90","","101.058","0.016","90","","1952.6","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 I2 N2 S2 -","- C16 H14 Cu2 I2 N2 S2 -","- C64 H56 Cu8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0469","0.0418","","","0.1066","0.1102","","","","","","1.004","","","","has coordinates","261621","2021-02-04","23:02:25",""
"7241542","8.7415","0.0004","17.1309","0.0008","13.1531","0.0006","90","","95.007","0.003","90","","1962.16","0.16","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Br3 Cu3 N5 S4 -","- C34 H31 Br3 Cu3 N5 S4 -","- C68 H62 Br6 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.13","0.1047","","","0.2592","0.2926","","","","","","1.035","","","","has coordinates","261621","2021-02-04","23:02:29",""
"7241543","13.306","0.003","10.4481","0.0012","13.639","0.003","90","","99.86","0.015","90","","1868.1","0.6","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 Cu2 N2 S2 -","- C16 H14 Br2 Cu2 N2 S2 -","- C64 H56 Br8 Cu8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0628","0.0526","","","0.1395","0.1473","","","","","","1.061","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241544","8.8353","0.0002","16.7129","0.0005","13.6256","0.0004","90","","99.427","0.002","90","","1984.83","0.1","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 Cu3 N6 S4 -","- C36 H34 Cl3 Cu3 N6 S4 -","- C72 H68 Cl6 Cu6 N12 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0697","0.0552","","","0.1542","0.1654","","","","","","1.032","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241545","19.2485","0.0011","16.5225","0.0008","21.3838","0.0011","90","","114.655","0.004","90","","6180.8","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cu2 I2 N2 S2 -","- C28 H22 Cu2 I2 N2 S2 -","- C224 H176 Cu16 I16 N16 S16 -","8","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.06","0.0557","","","0.1558","0.159","","","","","","1.09","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241546","10.3178","0.0004","15.5879","0.0011","21.9885","0.0008","90","","90","","90","","3536.5","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cu5 I5 N5 S2 -","- C22 H23 Cu5 I5 N5 S2 -","- C88 H92 Cu20 I20 N20 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0297","0.0252","","","0.0556","0.0566","","","","","","1.065","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241547","10.6426","0.0012","11.6334","0.0014","12.1551","0.0015","108.021","0.009","107.195","0.009","98.463","0.009","1319.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Br2 Cu2 N2 S2 -","- C28 H22 Br2 Cu2 N2 S2 -","- C56 H44 Br4 Cu4 N4 S4 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0398","0.0309","","","0.0784","0.0822","","","","","","1.026","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241548","8.7179","0.0009","16.8411","0.0017","12.8872","0.0013","90","","94.018","0.008","90","","1887.4","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 Cu3 N5 S4 -","- C34 H31 Cl4 Cu3 N5 S4 -","- C68 H62 Cl8 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.042","0.0386","","","0.0998","0.1017","","","","","","1.058","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241549","9.372","0.0003","14.5073","0.0009","16.6745","0.0007","90","","98.533","0.003","90","","2242.01","0.18","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0666","0.0548","","","0.1369","0.1542","","","","","","1.153","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241550","13.3327","0.0008","11.2308","0.0004","13.8158","0.0008","90","","101.542","0.005","90","","2026.9","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ag2 I2 N2 S2 -","- C16 H14 Ag2 I2 N2 S2 -","- C64 H56 Ag8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0233","0.0194","","","0.0472","0.048","","","","","","1.074","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241551","8.4843","0.0006","12.6359","0.001","12.9071","0.001","118.091","0.002","92.772","0.003","90.816","0.003","1218.22","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0687","0.0406","","","0.0868","0.0975","","","","","","1.015","","","","has coordinates,has disorder","259311","2020-11-29","02:52:52",""
"7241552","10.1384","0.0003","11.2472","0.0003","14.7855","0.0005","86.445","0.002","70.913","0.001","83.187","0.002","1581.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0708","0.037","","","0.0714","0.0796","","","","","","1","","","","has coordinates","259311","2020-11-29","02:52:53",""
"7241553","10.7273","0.0017","13.272","0.0018","13.4848","0.0019","113.935","0.003","91.71","0.004","107.802","0.004","1644.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.1104","0.0504","","","0.0905","0.1027","","","","","","1.014","","","","has coordinates,has disorder","259311","2020-11-29","02:52:54",""
"7241554","10.6805","0.0005","10.9041","0.0004","24.3091","0.001","79.476","0.001","82.372","0.001","63.21","0.001","2480.58","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0773","0.043","","","0.0871","0.0977","","","","","","1.004","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241555","15.692","0.003","16.767","0.003","22.256","0.004","90","","96.41","0.009","90","","5819.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 As4 O34 U4 -","- C128 H96 As4 O34 U4 -","- C256 H192 As8 O68 U8 -","2","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0942","0.0468","","","0.0793","0.092","","","","","","0.991","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241556","23.6243","0.0003","7.4222","0.0001","15.1901","0.0002","90","","99.038","0.001","90","","2630.43","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F4 N4 O7 -","- C26 H23 Cl F4 N4 O7 -","- C104 H92 Cl4 F16 N16 O28 -","4","1","","Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation","CrystEngComm","2021","23","3","653","662","10.1039/D0CE01341B","","x-ray","1.54184","CuKα","","0.0481","0.0452","","","0.1197","0.1225","","","","","","1.045","","","","has coordinates,has disorder","261629","2021-02-04","23:04:42",""
"7241557","6.3151","0.0009","8.5815","0.0012","11.0306","0.0015","103.485","0.005","96.047","0.006","93.183","0.005","576.08","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0219","0.0213","","","0.0519","0.0524","","","","","","1.101","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241558","9.9907","0.0005","21.4967","0.0012","11.4868","0.0007","90","","103.673","0.002","90","","2397.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) tetramethylammonium iodide cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0182","0.0168","","","0.0399","0.0409","","","","","","1.113","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241559","6.9406","0.0006","20.4866","0.0016","8.7114","0.0007","90","","100.802","0.002","90","","1216.72","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C32 H24 F16 I10 N2 -","2","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0311","0.0262","","","0.0525","0.0553","","","","","","1.105","","","","has coordinates,has disorder","261615","2021-02-04","23:00:56",""
"7241560","10.04","0.0006","20.5136","0.001","12.0201","0.0007","90","","103.127","0.002","90","","2410.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.018","0.0154","","","0.0332","0.0347","","","","","","1.148","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241561","11.7588","0.001","14.0711","0.0014","24.608","0.003","90","","90","","90","","4071.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tris(1,4-diiodo-2,3,5,6-tetrafluorobenzene) bis(tetramethylammonium iodide) cocrystal","","","- C26 H24 F12 I8 N2 -","- C26 H24 F12 I8 N2 -","- C104 H96 F48 I32 N8 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0367","0.034","","","0.08","0.0818","","","","","","1.037","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241562","8.6391","0.0007","8.8169","0.0008","9.5619","0.0008","81.638","0.003","69.762","0.003","63.334","0.003","610.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,4-diiodo-2,3,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0199","0.0196","","","0.0559","0.056","","","","","","1.307","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241563","7.334","0.0002","21.8848","0.0007","11.0627","0.0003","90","","98.85","0.001","90","","1754.46","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3,5-trifluoro-2,4,6-triiodobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F3 I4 N -","- C10 H12 F3 I4 N -","- C40 H48 F12 I16 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0179","0.0166","","","0.038","0.0387","","","","","","1.114","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241564","22.6298","0.0011","6.9472","0.0003","7.9192","0.0004","90","","90","","90","","1245.01","0.1","150","2","150","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","bis(1,2-diiodo-3,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H14 F8 I5 N -","- C32 H28 F16 I10 N2 -","2","0.25","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0337","0.0238","","","0.0382","0.0402","","","","","","1.057","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241565","21.6106","0.0013","7.3407","0.0005","11.3729","0.0007","90","","90","","90","","1804.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(1,3,5-triiodo-2,4,6-trifluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C10 H12 F3 I4 N -","- C10 H13 F3 I4 N -","- C40 H52 F12 I16 N4 -","4","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0211","0.0196","","","0.0467","0.0471","","","","","","1.281","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241566","7.5414","0.0014","22.618","0.004","9.2445","0.0018","90","","96.641","0.006","90","","1566.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-diiodo-3,4,5,6-tetrafluorobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F4 I3 N -","- C10 H12 F4 I3 N -","- C40 H48 F16 I12 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0229","0.019","","","0.0431","0.0454","","","","","","1.124","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241567","13.2794","0.0009","18.7657","0.0013","22.0251","0.0013","90","","112.835","0.003","90","","5058.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H31 N7 Ni6 O45 P W9 -","- C8 N7 Ni6 O45 P W9 -","- C32 N28 Ni24 O180 P4 W36 -","4","1","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0593","0.0463","","","0.1013","0.1055","","","","","","1.165","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241568","21.851","0.002","21.0544","0.0019","16.796","0.0015","90","","90","","90","","7727.2","1.2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C72 H114 N20 Ni12 O78 P2 W18 -","- C72 N20 Ni12 O78 P2 W18 -","- C144 N40 Ni24 O156 P4 W36 -","2","0.25","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0378","0.0317","","","0.0842","0.0876","","","","","","0.993","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241569","9.6037","0.0004","9.8432","0.0004","10.2613","0.0004","68.903","0.001","83.98","0.001","68.045","0.001","838.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0377","0.0329","","","0.0839","0.0874","","","","","","1.066","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241570","3.6795","0.0007","9.855","0.002","10.425","0.002","116.097","0.002","97.436","0.002","97.188","0.002","329.52","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0395","0.036","","","0.0957","0.0994","","","","","","1.05","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241571","9.6812","0.0002","9.8923","0.0002","10.3777","0.0003","70.346","0.001","83.328","0.001","67.442","0.001","864.26","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0743","0.0526","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241572","3.7614","0.0003","9.8932","0.0007","10.4498","0.0007","116.121","0.001","96.721","0.001","98.409","0.001","338.11","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1215","0.1264","","","","","","1.098","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241573","6.017","0.001","18.34","0.003","11.778","0.002","90","","99.387","0.003","90","","1282.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0803","0.0695","","","0.1771","0.1862","","","","","","1.059","","","","has coordinates,has disorder","259315","2020-11-29","02:57:27",""
"7241574","21.847","0.001","6.9981","0.0004","26.359","0.002","90","","102.17","0.001","90","","3939.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.073","0.0532","","","0.1627","0.1802","","","","","","1.057","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241575","5.8215","0.0008","18.363","0.002","11.592","0.002","90","","100.266","0.002","90","","1219.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0425","0.0375","","","0.1009","0.1057","","","","","","1.045","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241576","8.74","0.001","9.849","0.001","13.663","0.002","73.285","0.002","72.292","0.002","72.343","0.002","1042.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","2","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0663","0.0605","","","0.1713","0.1795","","","","","","1.052","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241577","8.7731","0.0005","9.8652","0.0005","13.9929","0.0007","73.741","0.002","72.89","0.002","72.483","0.002","1079.17","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","2","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.1641","0.0936","","","0.237","0.293","","","","","","1.018","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7241578","21.654","0.003","6.948","0.001","25.748","0.004","90","","101.148","0.002","90","","3800.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0491","0.0444","","","0.1225","0.1267","","","","","","1.067","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241579","10.4053","0.0002","32.028","0.0006","10.37836","0.00018","90","","93.2313","0.0018","90","","3453.2","0.11","136","1","136","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C45 H30 N4 -","- C45 H30 N4 -","- C180 H120 N16 -","4","1","","Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong","Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli","CrystEngComm","2021","23","1","202","209","10.1039/D0CE01539C","","x-ray","1.54184","CuKα","","0.0688","0.0634","","","0.169","0.1778","","","","","","1.065","","","","has coordinates","261593","2021-02-04","22:56:43",""
"7241580","4.472","0.0002","15.3544","0.0005","13.1342","0.0004","90","","97.953","0.002","90","","893.18","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0533","0.0476","","","0.1183","0.1213","","","","","","1.173","","","","has coordinates","261617","2021-02-04","23:01:31",""
"7241581","20.7314","0.0007","9.6579","0.0003","10.6217","0.0004","90","","92.531","0.002","90","","2124.62","0.13","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl N8 Na O10 -","- C14 H20 Cl N8 Na O10 -","- C56 H80 Cl4 N32 Na4 O40 -","4","0.5","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0379","0.0325","","","0.0908","0.0951","","","","","","1.044","","","","has coordinates,has disorder","261617","2021-02-04","23:01:35",""
"7241582","9.3613","0.0004","7.0465","0.0003","14.5134","0.0007","90","","103.023","0.002","90","","932.74","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N6 O4 -","- C19 H20 N6 O4 -","- C38 H40 N12 O8 -","2","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0539","0.0374","","","0.0812","0.087","","","","","","1.022","","","","has coordinates","261617","2021-02-04","23:01:45",""
"7241583","9.2408","0.0012","9.508","0.0013","12.6724","0.0018","90","","91.446","0.002","90","","1113.1","0.3","296","2","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H22 N4 O5 Zn -","- C20 H22 N4 O5 Zn -","- C40 H44 N8 O10 Zn2 -","2","0.5","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","","0.71073","MoKα","","0.0764","0.0475","","","0.1183","0.1324","","","","","","1.033","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241584","14.2908","0.0005","15.7878","0.0005","18.8266","0.0007","97.294","0.003","92.079","0.003","109.017","0.003","3969.7","0.3","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H69 Cd3 N7 O15 -","- C75 H69 Cd3 N7 O15 -","- C150 H138 Cd6 N14 O30 -","2","1","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","x-ray","1.54184","CuKα","","0.1034","0.0793","","","0.2047","0.232","","","","","","0.983","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241585","13.1882","0.0004","14.8316","0.0007","17.8325","0.0007","90.537","0.003","104.715","0.003","109.659","0.003","3159.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Mo12 N8 O44 P -","- C36 H43 Mo12 N8 O44 P -","- C72 H86 Mo24 N16 O88 P2 -","2","1","","Ji, Ning-Ning; Shi, Zhi-Qiang; Xie, Xiao-Xin; Li, Gang","Polyoxometalate-based hydrogen-bonded organic frameworks as a new class of proton conducting materials","CrystEngComm","2020","","","","","10.1039/D0CE01578D","","x-ray","1.54184","CuKα","","0.0633","0.0485","","","0.1173","0.1296","","","","","","1.038","","","","has coordinates","259319","2020-11-29","03:00:29",""
"7241586","6.6967","0.0002","5.7405","0.0002","20.7844","0.0007","90","","94.953","0.003","90","","796.02","0.05","107","","107","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0394","0.0331","","","0.0866","0.0906","","","","","","1.041","","","","has coordinates","259320","2020-11-29","03:01:06",""
"7241587","7.2043","0.0003","11.578","0.0004","11.3815","0.0004","90","","105.771","0.003","90","","913.61","0.06","107.24","","107.24","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0564","0.0459","","","0.1251","0.1311","","","","","","1.116","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241588","5.3882","0.0001","8.4135","0.0002","14.8002","0.0004","77.6","0.002","80.086","0.002","88.273","0.002","645.49","0.03","100","0.13","100","0.13","","","","","","","","3","P -1","-P 1","2","CBDA10coEA","","","- C26 H32 O12 -","- C26 H32 O12 -","- C26 H32 O12 -","1","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0954","0.0982","","","","","","1.091","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241589","8.841","0.003","10.807","0.003","9.978","0.003","90","","112.64","0.02","90","","879.9","0.5","107.02","","107.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBDE-10","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.1418","0.0919","","","0.2103","0.2311","","","","","","1.089","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241590","5.2267","0.0002","28.5292","0.0012","10.3735","0.0005","90","","93.071","0.003","90","","1544.61","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0667","0.051","","","0.1176","0.1254","","","","","","1.045","","","","has coordinates","261589","2021-02-04","22:55:57",""
"7241591","9.8518","0.0004","10.2278","0.0004","15.3791","0.0004","76.292","0.002","88.604","0.002","72.362","0.001","1432.83","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 F N2 O2 -","- C38 H33 F N2 O2 -","- C76 H66 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0325","0.0315","","","0.087","0.0879","","","","","","1.073","","","","has coordinates","261589","2021-02-04","22:56:00",""
"7241592","9.8905","0.0005","10.1651","0.0004","16.7066","0.0007","104.665","0.002","94.546","0.002","106.011","0.002","1541.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0522","0.0379","","","0.09","0.0986","","","","","","1.022","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241593","9.8313","0.0003","10.266","0.0003","15.7098","0.0005","101.103","0.001","92.295","0.001","106.83","0.001","1481.47","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H33 N3 O4 -","- C38 H33 N3 O4 -","- C76 H66 N6 O8 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.053","0.0471","","","0.1343","0.1403","","","","","","1.085","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241594","9.9188","0.0006","10.2275","0.0006","15.9392","0.0009","102.789","0.002","93.699","0.002","106.801","0.002","1495.16","0.15","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H32 Br F N2 O2 -","- C38 H32 Br F N2 O2 -","- C76 H64 Br2 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.0228","0.0222","","","0.0571","0.0576","","","","","","1.039","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241595","9.9304","0.0009","10.2239","0.0009","15.3905","0.0014","74.356","0.008","86.699","0.008","72.907","0.008","1437.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F N O -","- C19 H16 F N O -","- C76 H64 F4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0864","0.0562","","","0.1122","0.1271","","","","","","1.041","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241596","10.2165","0.0005","30.0352","0.0015","57.342","0.003","89.578","0.003","87.451","0.002","80.285","0.002","17326.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O -","- C19 H17 N O -","- C912 H816 N48 O48 -","48","24","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.1744","0.1222","","","0.3672","0.4119","","","","","","1.416","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241597","5.896","0.0012","8.913","0.0018","36.162","0.007","90","","90","","90","","1900.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 -","- C23 H22 F N3 -","- C92 H88 F4 N12 -","4","1","","Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection","CrystEngComm","2021","23","1","221","226","10.1039/D0CE01195A","","","0.71073","MoKα","","0.0759","0.0552","","","0.1056","0.1131","","","","","","1.124","","","","has coordinates","261591","2021-02-04","22:56:28",""
"7241598","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261595","2021-02-04","22:57:03",""
"7241599","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7241600","10.792","0.0004","18.8461","0.0008","13.1548","0.0005","90","","97.925","0.001","90","","2649.96","0.18","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O7 Zn -","- C28 H22 N4 O7 Zn -","- C112 H88 N16 O28 Zn4 -","4","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.052","0.0342","","","0.0923","0.101","","","","","","1.021","","","","has coordinates","259325","2020-11-29","03:05:09",""
"7241601","29.2681","0.001","10.0831","0.0003","22.0305","0.0008","90","","129.908","0.001","90","","4987.1","0.3","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0459","0.0343","","","0.093","0.1014","","","","","","1.005","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241602","7.482","0.0003","8.3416","0.0004","14.5588","0.0006","78.944","0.001","87.671","0.001","76.222","0.001","866.11","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cd N2 O6 -","- C18 H15 Cd N2 O6 -","- C36 H30 Cd2 N4 O12 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0213","0.0195","","","0.0507","0.0521","","","","","","1.025","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241603","9.6024","0.0008","11.8975","0.0011","13.2665","0.0012","113.334","0.002","103.141","0.002","102.592","0.002","1272.3","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 Zn -","- C28 H23 N4 O7 Zn -","- C56 H46 N8 O14 Zn2 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0689","0.0442","","","0.0939","0.1035","","","","","","1.006","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241604","12.7125","0.0006","8.0135","0.0003","12.9098","0.0006","90","","91.92","0.002","90","","1314.4","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","colchicine","","- C28 H31 N O9 S -","- C28 H31 N O9 S -","- C56 H62 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0524","0.0406","","","0.0911","0.1","","","","","","1.08","","","","has coordinates","261584","2021-02-04","22:53:16",""
"7241605","9.2402","0.0004","31.6946","0.0017","6.4645","0.0003","90","","101.052","0.002","90","","1858.11","0.15","180","","180","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 O6 S -","- C20 H22 O6 S -","- C80 H88 O24 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.04","0.0345","","","0.069","0.0713","","","","","","1.066","","","","has coordinates","261584","2021-02-04","22:53:22",""
"7241606","7.825","0.002","16.685","0.005","21.993","0.006","90","","90","","90","","2871.4","1.4","220","","220","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","colchicine","","- C32 H33 N O9 S -","- C32 H33 N O9 S -","- C128 H132 N4 O36 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1094","0.0524","","","0.0944","0.116","","","","","","1.015","","","","has coordinates","261584","2021-02-04","22:54:02",""
"7241607","12.858","0.003","8.1256","0.0019","13.356","0.003","90","","91.313","0.007","90","","1395.1","0.6","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","colchicine","Colchicine-AII2","","- C29 H33 N O9 S -","- C29 H33 N O9 S -","- C58 H66 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1155","0.0542","","","0.097","0.1199","","","","","","0.937","","","","has coordinates","261584","2021-02-04","22:54:05",""
"7241608","6.6868","0.0002","31.6978","0.0011","7.7242","0.0003","90","","93.655","0.001","90","","1633.87","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O5 S -","- C17 H20 O5 S -","- C68 H80 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0688","0.0446","","","0.0989","0.114","","","","","","1.06","","","","has coordinates","261584","2021-02-04","22:54:07",""
"7241609","6.8451","0.0003","9.0199","0.0004","12.2623","0.0006","81.489","0.002","78.81","0.002","70.464","0.001","697.12","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","hinokitiol","","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0842","0.0507","","","0.1121","0.1358","","","","","","1.034","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241610","6.988","0.0002","30.2686","0.0008","6.251","0.0002","90","","90","","90","","1322.19","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","tropolone","","- C14 H14 O5 S -","- C14 H14 O5 S -","- C56 H56 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0446","0.0413","","","0.0953","0.0975","","","","","","1.041","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241611","7.0583","0.0002","8.1581","0.0003","10.068","0.0003","102.65","0.001","104.172","0.001","90.598","0.001","547.19","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","tropolone","","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0371","0.033","","","0.0782","0.0815","","","","","","1.081","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241612","9.5417","0.0004","10.8327","0.0003","12.7884","0.0005","90","","101.427","0.001","90","","1295.64","0.08","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0506","0.0371","","","0.089","0.0982","","","","","","1.047","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241613","13.829","0.004","10.484","0.004","15.998","0.005","90","","110.885","0.006","90","","2167","1.2","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N O7.5 -","- C22 H28 N O7.5 -","- C88 H112 N4 O30 -","4","2","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1701","0.076","","","0.1676","0.2126","","","","","","0.958","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7241614","15.4803","0.0005","12.7831","0.0004","12.1312","0.0005","90","","91.739","0.001","90","","2399.49","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropone","","- C24 H24 O10 S2 -","- C24 H24 O10 S2 -","- C96 H96 O40 S8 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0623","0.0448","","","0.0987","0.1096","","","","","","1.027","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241615","6.7177","0.0011","16.233","0.003","14.53","0.003","90","","98.666","0.005","90","","1566.4","0.5","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tropone","","- C17 H16 O5 S -","- C17 H16 O5 S -","- C68 H64 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1204","0.0688","","","0.1283","0.149","","","","","","1.047","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241616","6.7888","0.0004","20.096","0.0012","13.5491","0.0008","90","","102.749","0.002","90","","1802.9","0.19","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropolone","","- C17 H20 O8 S -","- C17 H20 O8 S -","- C68 H80 O32 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1","0.072","","","0.1395","0.1493","","","","","","1.159","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241617","7.0962","0.0014","9.651","0.0019","11.031","0.002","80.82","0.03","77.59","0.03","88.31","0.03","728.4","0.3","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl N O7 -","- C12 H16 Cl N O7 -","- C24 H32 Cl2 N2 O14 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0774","0.0507","","","0.1222","0.1378","","","","","","1.057","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241618","6.9834","0.0014","7.8322","0.0016","16.383","0.003","79.08","0.03","86.83","0.03","83.81","0.03","874.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C36 H40 Cl2 N2 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0576","0.0413","","","0.1011","0.1089","","","","","","1.038","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241619","7.4548","0.0015","13.856","0.003","14.684","0.003","81.27","0.03","81.44","0.03","80.5","0.03","1466.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cl5 N O9 -","- C26 H26 Cl5 N O9 -","- C52 H52 Cl10 N2 O18 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0621","0.0374","","","0.0806","0.0906","","","","","","1.023","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241620","5.9469","0.0012","12.127","0.002","20.466","0.004","101.74","0.03","92","0.03","101.56","0.03","1411.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cl2 N3 O5 -","- C27 H35 Cl2 N3 O5 -","- C54 H70 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0582","0.039","","","0.0887","0.098","","","","","","1.033","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241621","14.01","0.003","17.797","0.004","7.0663","0.0014","90","","91.43","0.03","90","","1761.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N O6 -","- C17 H20 Cl N O6 -","- C68 H80 Cl4 N4 O24 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0785","0.0451","","","0.0946","0.1073","","","","","","1.031","","","","has coordinates,has disorder","261598","2021-02-04","22:57:40",""
"7241622","5.9277","0.0012","12.15","0.002","19.491","0.004","88.49","0.03","86.58","0.03","77.1","0.03","1365.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N3 O5 -","- C26 H33 Cl2 N3 O5 -","- C52 H66 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0674","0.0431","","","0.0946","0.106","","","","","","1.024","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241623","15.699","0.003","8.7459","0.0017","14.834","0.003","90","","106.08","0.03","90","","1957.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 N O5 -","- C18 H18 Cl3 N O5 -","- C72 H72 Cl12 N4 O20 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0416","0.0331","","","0.0813","0.0862","","","","","","1.035","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241635","13.8569","0.0003","4.8751","0.0001","18.186","0.0004","90","","98.164","0.002","90","","1216.08","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.048","0.042","","","0.1202","0.124","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241636","13.8433","0.0012","11.6707","0.0008","8.3343","0.0007","90","","100.376","0.007","90","","1324.48","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.1142","0.0767","","","0.222","0.2996","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241637","6.8111","0.0003","7.3881","0.0003","27.5932","0.001","90","","90","","90","","1388.52","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0808","0.042","","","0.0923","0.1083","","","","","","1.015","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241638","8.2453","0.0002","9.1188","0.0003","11.2435","0.0004","77.692","0.002","86.278","0.002","86.449","0.002","823.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.058","0.0437","","","0.117","0.1289","","","","","","1.04","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241639","7.8029","0.0005","10.6573","0.0005","10.8703","0.0005","115.74","0.004","99.231","0.003","103.722","0.004","754.32","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C30 H40 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0993","0.0505","","","0.108","0.1226","","","","","","0.969","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241640","9.5709","0.0003","9.7281","0.0003","11.5654","0.0003","72.921","0.003","79.751","0.003","68.981","0.003","957.65","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.092","0.0667","","","0.203","0.2267","","","","","","1.096","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7241641","4.9595","0.0015","7.185","0.003","7.507","0.003","90","","91.847","0.01","90","","267.37","0.17","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C H12 B2 N2 -","- C H12 B2 N2 -","- C2 H24 B4 N4 -","2","0.5","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0574","0.0479","","","0.123","0.1288","","","","","","1.093","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7241642","8.168","0.0006","9.1913","0.0006","12.2517","0.0008","100.972","0.006","106.036","0.006","90.602","0.006","865.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H36 B2 N2 O -","- C13 H36 B2 N2 O -","- C26 H72 B4 N4 O2 -","2","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","1.54184","CuKα","","0.0539","0.0459","","","0.1223","0.1306","","","","","","1.047","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241643","7.7493","0.0012","10.0768","0.0015","8.8384","0.0015","90","","103.921","0.01","90","","669.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1489","0.0741","","","0.1442","0.174","","","","","","1.043","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241644","11.479","0.002","11.37","0.002","8.0519","0.0013","90","","107.516","0.004","90","","1002.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 B2 N2 -","- C6 H22 B2 N2 -","- C24 H88 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1589","0.063","","","0.1115","0.143","","","","","","1.019","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241645","8.847","0.002","9.433","0.003","10.103","0.003","116.645","0.012","107.265","0.012","95.625","0.013","692.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","1","0.5","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0862","0.0457","","","0.0999","0.1231","","","","","","1.035","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241646","13.4684","0.0005","13.4684","0.0005","8.2997","0.0006","90","","90","","90","","1505.55","0.13","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0411","0.0351","","","0.1015","0.1106","","","","","","0.652","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241647","21.6","0.002","9.1048","0.0008","7.4175","0.0006","90","","103.733","0.003","90","","1417.1","0.2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0547","0.0411","","","0.1044","0.111","","","","","","1.042","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241705","8.7562","0.0006","13.1732","0.001","12.6457","0.0007","90","","95.04","0.006","90","","1453.01","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O2 -","- C26 H26 Cl2 Fe N10 O2 -","- C52 H52 Cl4 Fe2 N20 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.1193","0.0657","","","0.1443","0.1551","","","","","","0.845","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241706","14.9231","0.0014","8.4115","0.0007","18.7857","0.0016","90","","108.571","0.009","90","","2235.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Fe I2 N8 O2 -","- C16 H16 Fe I2 N8 O2 -","- C64 H64 Fe4 I8 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0533","0.0442","","","0.1115","0.1189","","","","","","1.036","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241707","8.8231","0.0004","11.0729","0.0003","13.2703","0.0007","90","","106.027","0.005","90","","1246.08","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Fe I2 N8 O2 -","- C18 H20 Fe I2 N8 O2 -","- C36 H40 Fe2 I4 N16 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.047","0.0301","","","0.0637","0.0661","","","","","","0.872","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241708","8.3887","0.0004","9.639","0.0005","13.2734","0.0007","90","","99.11","0.005","90","","1059.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe I2 N8 -","- C16 H12 Fe I2 N8 -","- C32 H24 Fe2 I4 N16 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0513","0.0392","","","0.0909","0.1001","","","","","","1.063","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241709","8.1771","0.0009","11.2544","0.0012","12.1692","0.0015","91.426","0.009","108.865","0.01","90.318","0.009","1059.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","1","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0674","0.0433","","","0.0742","0.0821","","","","","","1.02","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241710","14.7058","0.0015","8.3867","0.0006","18.3571","0.0018","90","","108.439","0.011","90","","2147.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br2 Fe N8 O2 -","- C16 H16 Br2 Fe N8 O2 -","- C64 H64 Br8 Fe4 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0405","0.0309","","","0.0723","0.0767","","","","","","1.075","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241711","19.931","0.002","12.6943","0.0014","30.341","0.003","90","","93.819","0.008","90","","7659.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Br8 Fe3 N26 -","- C58 H43 Br8 Fe3 N26 -","- C232 H172 Br32 Fe12 N104 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.2114","0.1075","","","0.2808","0.3679","","","","","","1.018","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241712","16.5183","0.0003","16.5183","0.0003","13.6408","0.0003","90","","90","","120","","3223.3","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Ce0.7 Cs0.3 P S4 -","- Ca0.3 Ce0.7 Cs0.300167 P S4 -","- Ca5.4 Ce12.6 Cs5.403 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0388","0.0387","","","0.1094","0.1095","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:23",""
"7241713","9.2095","0.0002","9.2341","0.0002","16.7221","0.0004","90","","103.946","0.0008","90","","1380.15","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca4 Cs4 P8 Pr4 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0287","0.0267","","","0.0631","0.0642","","","","","","1.116","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241714","16.4128","0.0003","16.4128","0.0003","13.4526","0.0003","90","","90","","120","","3138.36","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Sm0.7 -","- Ca0.3 Cs0.300167 P S4 Sm0.7 -","- Ca5.4 Cs5.403 P18 S72 Sm12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0352","0.0343","","","0.1061","0.1075","","","","","","0.98","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241715","16.4968","0.0004","16.4968","0.0004","13.5795","0.0003","90","","90","","120","","3200.47","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P Pr0.7 S4 -","- Ca0.3 Cs0.300167 P Pr0.7 S4 -","- Ca5.4 Cs5.403 P18 Pr12.6 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0327","","","0.0859","0.0859","","","","","","1.085","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241716","16.3458","0.0003","16.3458","0.0003","13.4242","0.0003","90","","90","","120","","3106.21","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca5.4 Cs5.4 Gd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0323","0.0323","","","0.091","0.091","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241717","9.1603","0.0002","9.1898","0.0002","16.6882","0.0004","90","","103.687","0.0008","90","","1364.94","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca4 Cs4 Gd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0192","0.019","","","0.0403","0.0404","","","","","","1.039","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241718","9.197","0.0002","9.2233","0.0002","16.7149","0.0004","90","","103.871","0.0008","90","","1376.52","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca4 Cs4 Nd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0259","0.025","","","0.0661","0.0668","","","","","","1.109","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241719","9.1378","0.0002","9.1727","0.0002","16.6704","0.0004","90","","103.678","0.0008","90","","1357.66","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca4 Cs4 Dy4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0238","0.0237","","","0.0521","0.0522","","","","","","1.086","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241720","9.1479","0.0004","9.18","0.0004","16.6874","0.0007","90","","103.688","0.0015","90","","1361.57","0.1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca4 Cs4 P8 S32 Tb4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0313","0.0311","","","0.0743","0.0744","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241721","16.3288","0.0004","16.3288","0.0004","13.322","0.0004","90","","90","","120","","3076.16","0.14","301","2","301.39","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Dy0.7 P S4 -","- Ca0.3 Cs0.300167 Dy0.7 P S4 -","- Ca5.4 Cs5.403 Dy12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0311","","","0.0876","0.0897","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241722","16.3448","0.0004","16.3448","0.0004","13.3425","0.0003","90","","90","","120","","3086.93","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca5.4 Cs5.4 P18 S72 Tb12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0298","0.0298","","","0.0878","0.0878","","","","","","1.126","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241723","9.1778","0.0003","9.2037","0.0003","16.6857","0.0005","90","","103.778","0.0013","90","","1368.88","0.08","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca4 Cs4 P8 S32 Sm4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0247","0.0231","","","0.0526","0.0534","","","","","","1.098","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241724","16.4932","0.0004","16.4932","0.0004","13.5289","0.0003","90","","90","","120","","3187.15","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Nd0.7 P S4 -","- Ca0.3 Cs0.300333 Nd0.7 P S4 -","- Ca5.4 Cs5.406 Nd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0332","0.033","","","0.0922","0.0924","","","","","","1.161","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241725","10.54","0.005","14.07","0.005","15.113","0.005","110.556","0.005","106.367","0.005","102.044","0.005","1891.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C56 H48 Ca2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.114","0.0563","","","0.1517","0.1726","","","","","","1.011","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241726","10.714","0.005","14.407","0.005","15.63","0.005","65.529","0.005","73.674","0.005","86.24","0.005","2103.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0559","0.0437","","","0.1189","0.1247","","","","","","1.024","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241727","10.77","0.005","14.128","0.005","15.073","0.005","110.391","0.005","107.23","0.005","101.991","0.005","1925.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0743","0.0464","","","0.114","0.1228","","","","","","1.021","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241728","11.244","0.0006","13.9869","0.0008","14.8283","0.0008","109.442","0.002","111.672","0.002","99.695","0.002","1927.38","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ba N12 O17 S2 -","- C28 H24 Ba N12 O17 S2 -","- C56 H48 Ba2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0763","0.0698","","","0.1878","0.1953","","","","","","1.036","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241729","16.623","0.004","10.715","0.002","25.723","0.006","90","","90.124","0.004","90","","4581.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C112 H96 N48 O68 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0968","0.0649","","","0.1783","0.1955","","","","","","1.048","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241730","16.5541","0.0013","10.4598","0.0008","25.6563","0.0019","90","","90.83","0.003","90","","4442","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C112 H96 Ca4 N48 O68 S8 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0745","0.0667","","","0.1923","0.1996","","","","","","1.033","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241731","27.899","0.003","15.2073","0.0016","39.875","0.005","90","","106.296","0.002","90","","16238","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Ba2 N24 O30 S4 -","- C56 H48 Ba2 N24 O30 S4 -","- C448 H384 Ba16 N192 O240 S32 -","8","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0616","0.0476","","","0.1157","0.1227","","","","","","1.015","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241732","25.565","0.003","31.743","0.003","10.3985","0.0011","90","","90","","90","","8438.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H47 Ca2 N24 O34 S4 -","- C56 H47 Ca2 N24 O34 S4 -","- C224 H188 Ca8 N96 O136 S16 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0639","0.06","","","0.1598","0.1629","","","","","","1.034","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241733","12.604","0.005","16.258","0.005","31.463","0.005","90","","97.344","0.005","90","","6394","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N24 O23 S2 Sr -","- C46 H42 N24 O23 S2 Sr -","- C184 H168 N96 O92 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0908","0.0592","","","0.1593","0.1729","","","","","","1.032","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241734","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.029","0.025","","","","0.048","0.037","","","","","1.023","","","","has coordinates","261606","2021-02-04","22:59:04",""
"7241735","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.0377","0.0352","","","0.0864","0.0882","","","","","","1.12","","","","has coordinates","261606","2021-02-04","22:59:07",""
"7241736","7.8699","0.0002","36.0925","0.0007","11.3684","0.0003","90","","92.524","0.002","90","","3226","0.13","123","2","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Aminoazobenzene; 3-Amino-4-methylpyridine","","- C36 H38 N10 -","- C36 H38 N10 -","- C144 H152 N40 -","4","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0548","0.0467","","","0.1196","0.1258","","","","","","1.021","","","","has coordinates,has disorder","259731","2020-12-10","03:35:48",""
"7241737","7.5794","0.0004","5.6975","0.0003","21.4258","0.0009","90","","97.914","0.004","90","","916.43","0.08","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;4,4'-Bipyridine","","- C22 H19 N5 -","- C22 H19 N5 -","- C44 H38 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0537","0.0514","","","0.1487","0.1516","","","","","","1.054","","","","has coordinates","259731","2020-12-10","03:35:49",""
"7241738","7.73","0.0006","5.6677","0.0004","23.0411","0.0014","90","","91.233","0.006","90","","1009.23","0.12","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;1,2-bis(4-pyridyl)ethane","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.1033","0.0715","","","0.1964","0.2223","","","","","","1.041","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241739","7.9177","0.0016","5.9154","0.0012","19.843","0.004","90","","90.84","0.03","90","","929.3","0.3","113","2","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene; 4-Pyrrolidinopyridine","","- C21 H23 N5 -","- C21 H23 N5 -","- C42 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.0647","0.0471","","","0.1059","0.116","","","","","","0.974","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241740","25.715","0.005","5.9027","0.0012","31.344","0.006","90","","107.76","0.03","90","","4530.9","1.7","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-aminoazobenzene; 1-(1-naphthyl)-2-(4'-pyridyl)ethylene","","- C29 H24 N4 -","- C29 H23 N4 -","- C232 H184 N32 -","8","2","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.122","0.0776","","","0.1948","0.2262","","","","","","1.055","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241741","14.329","0.0009","5.8217","0.0004","18.5725","0.0012","90","","93.903","0.002","90","","1545.71","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","1","0.5","","Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh","A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand","CrystEngComm","2021","23","4","824","830","10.1039/D0CE01517B","","","0.71073","MoKα","","0.0551","0.0387","","","0.0571","0.0628","","","","","","1.067","","","","has coordinates","261609","2021-02-04","22:59:31",""
"7241742","9.7369","0.0003","9.7369","0.0003","76.074","0.002","90","","90","","90","","7212.4","0.4","220","1","220","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","0.25","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.0743","0.0619","","","0.1144","0.1199","","","","","","1.178","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241743","9.6448","0.0009","76.132","0.0012","9.7076","0.001","90","","90.2","","90","","7128","1","185","1","185.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd0.999 Cl I3.996 S32 -","- C184 H148 Cd3.996 Cl4 I15.984 S128 -","4","0.5","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1493","0.1263","","","0.3201","0.3429","","","","","","1.119","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241744","9.5531","0.0008","9.7052","0.0008","76.0688","0.001","89.884","0.004","89.917","0.004","89.798","0.007","7052.6","0.8","100","1","100","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1281","0.1021","","","0.2609","0.2897","","","","","","1.026","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241745","13.1254","0.0006","13.6595","0.0006","8.5225","0.0004","90","","90","","90","","1527.97","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cd N2 O2 S4 -","- C8 H12 Cd N2 O2 S4 -","- C32 H48 Cd4 N8 O8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0331","0.0326","","","0.0757","0.0759","","","","","","1.244","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241746","9.7864","0.0005","10.9611","0.0006","16.022","0.0008","90","","102.095","0.002","90","","1680.52","0.15","152","2","152","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cd N6 O S2 -","- C10 H22 Cd N6 O S2 -","- C40 H88 Cd4 N24 O4 S8 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0209","0.0196","","","0.0452","0.0458","","","","","","1.035","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241747","14.6814","0.0003","17.4409","0.0004","17.6486","0.0004","90","","90","","90","","4519.04","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Cd3 N18 S6 -","- C28 H52 Cd3 N18 S6 -","- C112 H208 Cd12 N72 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0347","0.0313","","","0.0711","0.0729","","","","","","1.064","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241748","12.46","0.014","10.231","0.01","18.54","0.02","90","","92.34","0.02","90","","2361","4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CUST-531","","- C25 H21 Cd N4 O5 -","- C25 H21 Cd N4 O5 -","- C100 H84 Cd4 N16 O20 -","4","1","","Fan, Ming Yue; Fu, Peng; Li, Jiao; Su, Zhong Min; Li, Xiao; Pan, Qing Qing; Hu, Xiao Li","2D luminescent metal‒organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level","CrystEngComm","2021","23","4","929","934","10.1039/D0CE01581D","","","0.71073","MoKα","","0.0891","0.0566","","","0.1465","0.1673","","","","","","1.05","","","","has coordinates","261605","2021-02-04","22:58:57",""
"7241749","10.6427","0.0008","20.2187","0.0015","18.7795","0.0014","90","","93.18","0.001","90","","4034.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C141.6 H76 Cd12 N5.6 O64 S16 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0574","0.0459","","","0.1061","0.1107","","","","","","1.126","","","","has coordinates","261612","2021-02-04","23:00:18",""
"7241750","13.2067","0.0016","15.497","0.0018","16.513","0.002","90","","108.694","0.002","90","","3201.3","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 Cd2 N2 O13 -","- C30 H22 Cd2 N2 O13 -","- C120 H88 Cd8 N8 O52 -","4","1","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0297","0.0284","","","0.0697","0.0704","","","","","","1.006","","","","has coordinates","261612","2021-02-04","23:00:19",""
"7241751","33.1757","0.0004","33.1757","0.0004","10.5521","0.0002","90","","90","","90","","11613.9","0.3","130.01","0.1","130.01","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H14 Ca2 O9 -","- C8 H14 Ca2 O9 -","- C256 H448 Ca64 O288 -","32","1","","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin W.","The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips","CrystEngComm","2021","23","3","707","713","10.1039/D0CE01590C","","x-ray","1.54184","CuKα","","0.0334","0.0293","","","0.0794","0.0829","","","","","","1.18","","","","has coordinates,has disorder","261630","2021-02-04","23:04:49",""
"7241752","26.891","0.0015","16.3784","0.0009","20.2907","0.0012","90","","130.136","0.003","90","","6832.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Mn3 N6 O31 -","- C54 H58 Mn3 N4 O24 -","- C216 H232 Mn12 N16 O96 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.0973","0.0494","","","0.1007","0.1163","","","","","","1.016","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241753","13.706","0.003","10.943","0.002","23.695","0.005","90","","106.11","0.03","90","","3414.3","1.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H57 Mn3 N6 O22 -","- C78 H48.988 Mn3 N6 O18 -","- C156 H97.976 Mn6 N12 O36 -","2","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71","synchrotron","","0.0482","0.0443","","","0.108","0.1108","","","","","","1.032","","","","has coordinates,has disorder","259738","2020-12-10","03:41:12",""
"7241754","10.2097","0.0009","10.7615","0.001","13.8645","0.0013","81.129","0.002","79.737","0.002","64.205","0.002","1344.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","1","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1997","0.0762","","","0.0971","0.1243","","","","","","0.983","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241755","11.4113","0.0014","13.9536","0.0016","14.723","0.0018","105.212","0.003","92.722","0.004","107.323","0.003","2139.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 Mn N6 O18 -","- C39 H31 Mn N6 O10 -","- C78 H62 Mn2 N12 O20 -","2","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1555","0.0658","","","0.1336","0.1613","","","","","","0.976","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241756","12.916","0.002","8.9128","0.0013","27.161","0.004","90","","98.425","0.004","90","","3093","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Mn2 N3 O12 -","- C31 H25 Mn2 N3 O12 -","- C124 H100 Mn8 N12 O48 -","4","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1151","0.0611","","","0.1508","0.1778","","","","","","1.028","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241757","28.4052","0.0019","16.0847","0.0012","19.9257","0.0012","90","","133.158","0.003","90","","6641","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H62 Mn3 N6 O23 -","- C66 H42 Mn3 N4 O18 -","- C264 H168 Mn12 N16 O72 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1478","0.0569","","","0.1093","0.1349","","","","","","0.967","","","","has coordinates","259738","2020-12-10","03:41:13",""
"7241758","18.2863","0.0011","11.3902","0.0006","30.447","0.002","90","","106.745","0.002","90","","6072.7","0.6","150","2","149.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N8 O2 Zn -","- C36 H26 N8 O2 Zn -","- C288 H208 N64 O16 Zn8 -","8","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0447","0.0341","","","0.0842","0.088","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241759","3.8464","0.0001","11.0679","0.0003","35.2718","0.0009","90","","91.812","0.001","90","","1500.83","0.07","150","2","149.97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C72 H60 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0562","0.046","","","0.1096","0.1155","","","","","","1.062","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241760","8.1129","0.0005","14.5881","0.0008","15.9877","0.0009","90","","93.22","0.002","90","","1889.19","0.19","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cd Cl2 N5 O -","- C18 H15 Cd Cl2 N5 O -","- C72 H60 Cd4 Cl8 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0269","0.0189","","","0.0435","0.0456","","","","","","1.025","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241761","15.3928","0.001","10.6783","0.0007","19.4846","0.0012","90","","96.349","0.002","90","","3183","0.4","295","2","295.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd N8 O2 -","- C36 H26 Cd N8 O2 -","- C144 H104 Cd4 N32 O8 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0299","0.0278","","","0.0674","0.0688","","","","","","1.05","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241762","29.63","0.002","29.63","0.002","8.9973","0.0007","90","","90","","90","","7899.1","1","150","2","149.98","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H36 Cd2 N8 O8 -","- C40 H36 Cd2 N8 O8 -","- C320 H288 Cd16 N64 O64 -","8","0.5","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0449","0.0355","","","0.0859","0.0888","","","","","","1.095","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241763","13.4129","0.0008","18.8966","0.0012","15.1602","0.0009","90","","113.177","0.002","90","","3532.4","0.4","121","2","120.78","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N12 O8 Zn -","- C36 H30 N12 O8 Zn -","- C144 H120 N48 O32 Zn4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0533","0.0338","","","0.0744","0.0794","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241764","8.759","0.0004","9.44","0.0004","23.545","0.0008","90","","90","","90","","1946.82","0.14","296","2","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","ethylenediammonium lead iodide chloride","","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","1","0.125","","Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe","Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure","CrystEngComm","2020","22","46","8063","8071","10.1039/D0CE00184H","","","0.71075","MoKα","","0.1083","0.0676","","","0.1527","0.1745","","","","","","1.063","","","","has coordinates","259740","2020-12-10","03:43:41",""
"7241765","24.878","0.004","6.8029","0.0013","20.937","0.004","90","","114.088","0.009","90","","3234.9","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C144 H144 B8 F16 N24 -","8","2","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.1334","0.0767","","","0.1958","0.2158","","","","","","1.083","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241766","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","261626","2021-02-04","23:03:27",""
"7241767","14.9264","0.0012","11.4332","0.0009","10.9861","0.0008","90","","107.745","0.004","90","","1785.6","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B F2 I N3 -","- C18 H17 B F2 I N3 -","- C72 H68 B4 F8 I4 N12 -","4","1","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0345","0.029","","","0.0736","0.0769","","","","","","1.045","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241768","17.217","0.003","11.2747","0.0018","16.415","0.003","90","","117.459","0.003","90","","2827.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O10 -","- C64 H68 Cl4 N4 O10 -","- C128 H136 Cl8 N8 O20 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0337","0.0312","","","0.0892","0.0998","","","","","","1.15","","","","has coordinates","261613","2021-02-04","23:00:33",""
"7241769","17.1722","0.0016","11.3008","0.001","16.1727","0.0015","90","","117.16","0.002","90","","2792.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O7 -","- C64 H68 Cl4 N4 O7 -","- C128 H136 Cl8 N8 O14 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0541","0.0463","","","0.1454","0.1665","","","","","","1.154","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241770","16.524","0.0014","13.9309","0.0012","11.3445","0.0009","90","","107.39","0.003","90","","2492.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl4 N4 O4 -","- C60 H54 Cl4 N4 O4 -","- C120 H108 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.071","0.0643","","","0.1706","0.1824","","","","","","1.07","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241771","13.6415","0.0017","11.1851","0.0014","32.017","0.004","90","","90","","90","","4885.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H52 Cl4 N4 O4 -","- C59 H52 Cl4 N4 O4 -","- C236 H208 Cl16 N16 O16 -","4","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0737","0.0631","","","0.1729","0.1887","","","","","","1.288","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241772","16.397","0.004","13.84","0.003","11.647","0.003","90","","108.793","0.003","90","","2502.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl8 N4 O4 -","- C54 H48 Cl8 N4 O4 -","- C108 H96 Cl16 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","0.71073","MoKα","","0.0983","0.0552","","","0.148","0.1754","","","","","","1.037","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241773","11.8817","0.0005","13.9512","0.0006","30.8666","0.0013","90","","90","","90","","5116.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H46 Cl10 N4 O4 -","- C54 H46 Cl10 N4 O4 -","- C216 H184 Cl40 N16 O16 -","4","1","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.1019","0.0584","","","0.1336","0.1537","","","","","","1.03","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241774","23.896","0.008","4.9911","0.0017","13.723","0.004","90","","102.782","0.012","90","","1596.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N'-[(E)-(2-propoxyphenyl)methylidene]benzohydrazide","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1123","0.0581","","","0.1165","0.1382","","","","","","1.008","","","","has coordinates","261604","2021-02-04","22:58:52",""
"7241775","9.695","0.008","24.699","0.009","9.476","0.007","90","","90","","90","","2269","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N'-(4-(?nyloxy)benzylidene)-2-phenylacetohydrazide","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1398","0.0542","","","0.1035","0.1303","","","","","","1.005","","","","has coordinates","287885","2023-11-30","13:18:06",""
"7241776","12.2984","0.0006","13.0766","0.0007","13.096","0.0007","74.6019","0.0008","67.9382","0.0008","87.6692","0.0008","1877.72","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0729","0.0396","","","0.0905","0.1048","","","","","","1.011","","","","has coordinates,has disorder","261602","2021-02-04","22:58:37",""
"7241777","12.311","0.0007","13.0867","0.0007","13.1261","0.0007","74.639","0.0009","67.9332","0.0008","87.7934","0.0009","1885.41","0.18","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0895","0.0431","","","0.0983","0.1235","","","","","","1.001","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241778","6.5823","0.0017","11.601","0.003","13.001","0.003","91.653","0.004","103.841","0.004","99.765","0.005","947.5","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1069","0.0464","","","0.0777","0.0982","","","","","","0.929","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241779","12.2327","0.0007","13.0214","0.0007","13.0009","0.0007","74.4145","0.0018","68.2545","0.0017","87.4839","0.0018","1849.19","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1059","0.048","","","0.0941","0.1178","","","","","","1.025","","","","has coordinates","261602","2021-02-04","22:58:41",""
"7241780","6.608","0.002","11.633","0.003","13.025","0.005","91.803","0.008","104.018","0.006","99.843","0.017","954.3","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.063","0.0395","","","0.0869","0.0996","","","","","","1.044","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241781","12.3254","0.0009","13.0852","0.0009","13.141","0.0009","74.6086","0.0012","68.004","0.0012","87.9267","0.0012","1889.9","0.2","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.174","0.0564","","","0.0819","0.1114","","","","","","1.017","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241782","6.5859","0.0003","11.5949","0.0005","13.0118","0.0006","91.61","0.002","103.887","0.002","99.737","0.002","948.23","0.07","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0556","0.0383","","","0.082","0.0916","","","","","","1.013","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241783","12.3144","0.0009","13.0777","0.0009","13.1092","0.0009","74.5741","0.0012","68.0058","0.0011","87.79","0.0012","1882.6","0.2","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1581","0.0534","","","0.0889","0.1232","","","","","","0.914","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241784","16.1282","0.0012","8.4944","0.0006","16.6337","0.0012","90","","105.159","0.002","90","","2199.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Eu O11 -","- C23 H20 Eu O11 -","- C92 H80 Eu4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0379","0.0295","","","0.0741","0.0759","","","","","","1.013","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241785","16.089","0.003","8.4482","0.0014","16.397","0.003","90","","105.373","0.005","90","","2149","0.7","150","2","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Dy O11 -","- C23 H20 Dy O11 -","- C92 H80 Dy4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0254","0.0219","","","0.0474","0.0491","","","","","","1.093","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241786","16.108","0.003","8.4565","0.0017","16.414","0.003","90","","105.37","0.006","90","","2155.9","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tb","","- C23 H20 O11 Tb -","- C23 H20 O11 Tb -","- C92 H80 O44 Tb4 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0192","0.0169","","","0.0391","0.04","","","","","","1.079","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241791","28.8613","0.0002","28.8613","0.0002","47.8704","0.0004","90","","90","","120","","34532.6","0.4","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H21 N4 O16 Sc3 -","- C40 H20 N4 O16 Sc3 -","- C720 H360 N72 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0667","0.0559","","","0.1613","0.1701","","","","","","1.031","","","","has coordinates","261611","2021-02-04","23:00:10",""
"7241792","28.817","0.0007","28.817","0.0007","47.9423","0.0007","90","","90","","120","","34478.4","1.3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H20 N5 O18 Sc3 -","- C40 H19 N5 O18 Sc3 -","- C720 H342 N90 O324 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.1046","0.0653","","","0.184","0.2103","","","","","","1.008","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241793","28.8727","0.0019","28.8727","0.0019","47.845","0.003","90","","90","","120","","34542","4","173","","173","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H22 N5 O16 Sc3 -","- C40 H21 N5 O16 Sc3 -","- C720 H378 N90 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0665","0.0566","","","0.1736","0.1842","","","","","","1.076","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241794","31.808","0.0016","31.808","0.0016","16.9754","0.0008","90","","90","","120","","14873.8","1.3","173","","173","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C58 H38 N O16 Sc3 -","- C58 H38 N O16 Sc3 -","- C348 H228 N6 O96 Sc18 -","6","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0414","0.0405","","","0.1114","0.1124","","","","","","1.037","","","","has coordinates","261611","2021-02-04","23:00:11",""
"7241795","28.7845","0.0015","28.7845","0.0015","48.405","0.003","90","","90","","120","","34733","3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C42.67 H23.67 N1.33 O16 Sc3 -","- C42.6667 H22.6667 N1.3333 O16 Sc3 -","- C768.001 H408.001 N23.9994 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54184","CuKα","","0.224","0.1208","","","0.3273","0.4338","","","","","","0.919","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241796","6.28","0.0013","11.263","0.002","13.232","0.003","100.71","0.03","96.26","0.03","96.09","0.03","906.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0492","0.0481","","","0.1332","0.1344","","","","","","1.07","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241797","6.3","0.0013","15.21","0.003","17.39","0.004","112.89","0.03","91.22","0.03","93.74","0.03","1529.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1191","0.1015","","","0.2749","0.2934","","","","","","1.077","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241798","8.2759","0.0002","11.7985","0.0002","13.6442","0.0003","85.64","0.002","75.452","0.002","86.886","0.002","1284.96","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H70 N3 O17.5 -","- C49 H63 N3 O17.5 -","- C49 H63 N3 O17.5 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","x-ray","1.54184","CuKα","","0.0871","0.078","","","0.2317","0.2445","","","","","","1.075","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241799","7.67","0.0002","8.6982","0.0003","16.1026","0.0003","97.309","0.002","100.27","0.002","113.335","0.003","947.06","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0587","0.046","","","0.1251","0.1331","","","","","","1.066","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241800","33.9304","0.0005","12.9471","0.0002","11.1617","0.0002","90","","91.193","0.001","90","","4902.28","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Cd2 N3 O11 -","- C50 H55 Cd2 N3 O11 -","- C200 H220 Cd8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0498","0.0443","","","0.1199","0.124","","","","","","1.053","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241801","26.397","0.005","11.976","0.002","29.443","0.006","90","","97.51","0.03","90","","9228","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd2 N2 O8 -","- C62 H50 Cd2 N2 O8 -","- C248 H200 Cd8 N8 O32 -","4","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.95372","Synchrotron","","0.1289","0.1017","","","0.2892","0.3192","","","","","","1.079","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241802","34.247","0.007","13.083","0.003","10.812","0.002","90","","91.17","0.03","90","","4843.3","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Mn2 N3 O11 -","- C50 H55 Mn2 N3 O11 -","- C200 H220 Mn8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0963","0.0733","","","0.2167","0.2449","","","","","","1.05","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241803","9.469","0.0019","10.395","0.002","10.692","0.002","98.87","0.03","96.95","0.03","96.11","0.03","1023.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0288","0.0281","","","0.0721","0.0726","","","","","","1.125","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241804","7.61","0.0015","8.14","0.0016","19.08","0.004","92.58","0.03","97.1","0.03","97.29","0.03","1161.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0679","0.0662","","","0.1874","0.1899","","","","","","1.054","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241805","10.508","0.002","14.186","0.003","14.263","0.003","111.15","0.03","97.39","0.03","90.01","0.03","1964","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 N3.5 Na O9.5 Zn -","- C41.5 H42 N3.5 Na O9.5 Zn -","- C83 H84 N7 Na2 O19 Zn2 -","2","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1048","0.0853","","","0.2361","0.2662","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241806","22.93","0.005","17.33","0.004","8.03","0.0016","90","","95.24","0.03","90","","3177.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cd2 N4 O14 -","- C68 H72 Cd2 N4 O14 -","- C136 H144 Cd4 N8 O28 -","2","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710757","Synchrotron","","0.0371","0.032","","","0.0808","0.0839","","","","","","1.061","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241807","20.8995","0.0002","21.0392","0.0002","32.8802","0.0003","90","","94.498","0.001","90","","14413.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C346 H394 N30 O94 Zn20 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0723","0.0662","","","0.2134","0.2197","","","","","","1.081","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241808","12.159","0.002","31.183","0.006","12.689","0.003","90","","90","","90","","4811.1","1.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H44 Cu2 N2 O10 -","- C46 H40 Cu2 N2 O10 -","- C184 H160 Cu8 N8 O40 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.2624","0.1657","","","0.4227","0.4812","","","","","","1.309","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241809","20.898","0.004","21.113","0.004","32.881","0.007","90","","95.06","0.03","90","","14451","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C322 H338 Co20 N22 O86 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1368","0.1","","","0.3111","0.352","","","","","","1.255","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241810","23.24","0.005","30.59","0.006","33.17","0.007","74.89","0.03","77.68","0.03","86.47","0.03","22241","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N2 O8.67 Zn2.67 -","- C62 H50 N2 O8.66667 Zn2.66667 -","- C372 H300 N12 O52 Zn16 -","6","3","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1579","0.1349","","","0.3863","0.4179","","","","","","1.794","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241811","6.196","0.0012","14.364","0.003","15.756","0.003","79.97","0.03","79.48","0.03","80.88","0.03","1346","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0947","0.0846","","","0.2479","0.2613","","","","","","1.091","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241812","16.386","0.003","11.425","0.002","26.726","0.005","90","","100.53","0.03","90","","4919.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu N2 O5 -","- C22 H24 Cu N2 O5 -","- C176 H192 Cu8 N16 O40 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710877","Synchrotron","","0.1717","0.1425","","","0.3401","0.373","","","","","","1.135","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241813","37.413","0.008","12.588","0.003","11.684","0.002","90","","103.43","0.03","90","","5352","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 N4 O10 Zn2 -","- C51 H52 N4 O10 Zn2 -","- C204 H208 N16 O40 Zn8 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710752","Synchrotron","","0.1071","0.0991","","","0.2857","0.2965","","","","","","1.286","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241814","32.349","0.007","12.005","0.002","26.75","0.005","90","","100.76","0.03","90","","10206","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C340 H356 Co8 K16 N28 O76 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1514","0.1093","","","0.3293","0.3634","","","","","","1.223","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241815","12.33","0.003","18.33","0.004","18.92","0.004","66.42","0.03","77.02","0.03","74.7","0.03","3745.7","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67 -","- C42 H43.3333 N3.33333 Na1.33333 O9.33333 Zr0.666667 -","- C126 H130 N10 Na4 O28 Zr2 -","3","1.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0755","0.0663","","","0.1925","0.2055","","","","","","1.051","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241816","29.68","0.006","30.61","0.006","13.46","0.003","90","","98.91","0.03","90","","12081","4","100","","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43 H51 N3 O18 Zr3 -","- C43 H51 N3 O18 Zr3 -","- C172 H204 N12 O72 Zr12 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0859","0.069","","","0.2152","0.2261","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241817","9.5466","0.0003","17.6942","0.0006","20.2248","0.0007","90","","101.2","0.002","90","","3351.3","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cl4 Cu4 N8 O28 -","- C56 H56 Cl4 Cu4 N8 O28 -","- C112 H112 Cl8 Cu8 N16 O56 -","2","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0759","0.0533","","","0.1524","0.1787","","","","","","1.052","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241818","9.3595","0.0003","12.4592","0.0004","14.5015","0.0004","87.821","0.001","72.827","0.001","68.258","0.001","1495.86","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","1","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0641","0.0463","","","0.1246","0.1356","","","","","","1.047","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241819","12.9186","0.0005","13.6147","0.0006","21.739","0.0008","89.925","0.003","81.101","0.003","76.021","0.003","3663","0.3","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 N O35 -","- C71 H63 N O35 -","- C142 H126 N2 O70 -","2","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.12","0.1055","","","0.2839","0.2965","","","","","","0.993","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241820","35.528","0.0003","12.9487","0.0001","33.1933","0.0003","90","","105.019","0.001","90","","14748.7","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H81 Mg N2 O41.5 -","- C66 H58 Mg N2 O41.5 -","- C528 H464 Mg8 N16 O332 -","8","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1045","0.0994","","","0.2833","0.289","","","","","","0.967","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241821","21.8515","0.0014","12.375","0.0006","27.435","0.002","90","","112.883","0.009","90","","6834.9","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H79 N2 O36.5 -","- C69 H67.11 N2 O36.5 -","- C276 H268.44 N8 O146 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1278","0.0716","","","0.1803","0.2038","","","","","","0.881","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241822","21.4549","0.0004","12.5308","0.0001","26.2757","0.0004","90","","111.934","0.002","90","","6552.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H72.54 N2 O35.27 -","- C66.992 H60.57 N2 O35.373 -","- C267.968 H242.28 N8 O141.492 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.0938","0.0695","","","0.1993","0.2187","","","","","","1.065","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241823","36.336","0.004","36.336","0.004","36.336","0.004","90","","90","","90","","47975","9","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C114 H135 Cu12 N24 O36 -","- C114 H135 Cu12 N24 O36 -","- C912 H1080 Cu96 N192 O288 -","8","0.333333","","Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius","An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers","CrystEngComm","2021","23","6","1332","1335","10.1039/D0CE01667E","","","0.7","synchrotron","","0.0753","0.0673","","","0.1939","0.2087","","","","","","1.03","","","","has coordinates,has disorder","262583","2021-03-05","01:48:10",""
"7241824","5.3224","0.00025","12.94547","0.00019","4.53602","0.00017","90","","94.289","0.0021","90","","311.661","0.019","293","","293","","100000","5000","100000","5000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02807","","0.1101","","0.815","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241825","5.2379","0.0004","12.75457","0.00017","4.49625","0.00022","90","","94.413","0.003","90","","299.49","0.03","293","","293","","960000","50000","960000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02508","","0.10166","","0.718","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241826","5.1081","0.0005","12.49492","0.00017","4.4239","0.0003","90","","94.591","0.005","90","","281.45","0.03","293","","293","","3100000","500000","3100000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02896","","0.40688","","0.826","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241827","5.1421","0.0005","12.56168","0.00022","4.4451","0.0003","90","","94.552","0.005","90","","286.22","0.03","293","","293","","2420000","50000","2420000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03401","","0.76173","","0.975","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241828","5.0748","0.0006","12.42717","0.00021","4.4031","0.0004","90","","94.604","0.006","90","","276.79","0.04","293","","293","","3740000","60000","3740000","60000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04184","","0.1435","","1.217","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241829","4.9826","0.0008","12.26098","0.00024","4.3436","0.0005","90","","94.581","0.008","90","","264.51","0.05","293","","293","","5930000","50000","5930000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04","","0.2754","","1.174","","","","","","","has coordinates","288267","2023-12-12","21:40:12",""
"7241830","5.0087","0.0006","12.31139","0.0002","4.3629","0.0004","90","","94.593","0.006","90","","268.17","0.04","293","","293","","5170000","50000","5170000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03274","","0.26562","","0.969","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241831","4.6166","0.0004","11.5551","0.0005","4.0512","0.00028","90","","94.807","0.003","90","","215.35","0.03","293","","293","","25270000","50000","25270000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01588","","0.04166","","0.477","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241832","4.8892","0.0005","12.10248","0.0002","4.2841","0.0003","90","","94.569","0.004","90","","252.69","0.03","293","","293","","8730000","50000","8730000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02792","","0.18398","","0.811","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241833","4.8627","0.0005","12.05705","0.00019","4.2663","0.0003","90","","94.603","0.004","90","","249.33","0.03","293","","293","","9810000","50000","9810000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0256","","0.27269","","0.742","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241834","4.7015","0.0004","11.7503","0.0004","4.1387","0.0003","90","","94.764","0.004","90","","227.85","0.03","293","","293","","18570000","50000","18570000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00826","","0.05433","","0.243","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241835","4.8883","0.0003","12.1119","0.0005","4.28963","0.00021","90","","94.6135","0.0025","90","","253.15","0.02","293","","293","","8630000","50000","8630000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01136","","0.04497","","0.325","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241836","5.1811","0.0004","12.63631","0.00018","4.46609","0.00028","90","","94.516","0.004","90","","291.49","0.03","293","","293","","1750000","50000","1750000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02743","","0.26726","","0.782","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241837","4.5713","0.0005","11.4696","0.0007","4.007","0.0003","90","","94.792","0.004","90","","209.36","0.03","293","","293","","29910000","50000","29910000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00979","","0.03785","","0.278","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241838","5.07859","0.00027","12.4595","0.0004","4.41318","0.0002","90","","94.5756","0.0023","90","","278.36","0.02","293","","293","","3550000","50000","3550000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00982","","0.05251","","0.279","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241839","4.6442","0.0003","11.6134","0.0004","4.07822","0.00022","90","","94.7902","0.0027","90","","219.19","0.02","293","","293","","22760000","50000","22760000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0136","","0.03647","","0.39","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241840","4.7371","0.0003","11.82822","0.0003","4.16968","0.00024","90","","94.711","0.003","90","","232.84","0.02","293","","293","","16090000","50000","16090000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00989","","0.05286","","0.292","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241841","4.6069","0.0004","11.5455","0.0007","4.04391","0.00032","90","","94.803","0.003","90","","214.34","0.03","293","","293","","25780000","50000","25780000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00865","","0.0421","","0.247","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241842","4.7786","0.0007","11.9057","0.0005","4.1994","0.0006","90","","94.695","0.006","90","","238.11","0.05","293","","293","","14060000","110000","14060000","110000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02549","","0.05581","","0.736","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241843","5.09945","0.00022","12.4945","0.0003","4.42425","0.00017","90","","94.5655","0.0019","90","","280.997","0.018","293","","293","","3160000","50000","3160000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00768","","0.05282","","0.216","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241844","4.8132","0.0004","11.9681","0.0006","4.23271","0.00023","90","","94.6883","0.0026","90","","243.01","0.03","293","","293","","11840000","190000","11840000","190000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01284","","0.04996","","0.364","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241845","5.269","0.0004","12.82716","0.00016","4.51254","0.0003","90","","94.364","0.004","90","","304.1","0.03","293","","293","","540000","50000","540000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0102","","0.09325","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241846","4.9201","0.0005","12.15166","0.00023","4.3032","0.0004","90","","94.543","0.005","90","","256.47","0.04","293","","293","","7850000","50000","7850000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03174","","0.15244","","0.92","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241847","4.5965","0.0006","11.5222","0.0007","4.0319","0.0004","90","","94.769","0.004","90","","212.8","0.04","293","","293","","27460000","50000","27460000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01753","","0.04852","","0.504","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241848","4.7416","0.0004","11.8243","0.0007","4.17264","0.00027","90","","94.7608","0.0029","90","","233.14","0.03","293","","293","","15600000","500000","15600000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01247","","0.04872","","0.354","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241849","4.5726","0.0006","11.4835","0.0009","4.0105","0.0004","90","","94.821","0.004","90","","209.84","0.04","293","","293","","29800000","500000","29800000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01074","","0.04561","","0.31","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241850","4.8178","0.0006","11.97404","0.00028","4.2306","0.0005","90","","94.607","0.006","90","","243.27","0.04","293","","293","","11890000","50000","11890000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02802","","0.06204","","0.812","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241851","4.6657","0.0004","11.67","0.0006","4.1027","0.00028","90","","94.7684","0.003","90","","222.61","0.03","293","","293","","20640000","50000","20640000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01064","","0.0377","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241852","5.29402","0.00016","12.885","0.0004","4.50656","0.00013","90","","94.329","0.003","90","","306.531","0.016","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0378","0.0309","","","0.0738","0.0776","","","","","","1.043","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241853","5.27066","0.00019","12.7806","0.0005","4.48685","0.00019","90","","94.579","0.004","90","","301.28","0.02","100","1","100","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0353","0.0311","","","0.0774","0.0803","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241854","5.26373","0.00014","12.7447","0.0003","4.47691","0.00011","90","","94.687","0.003","90","","299.328","0.013","35","1","35","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0364","0.0343","","","0.0928","0.0948","","","","","","1.072","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241855","5.29025","0.00013","12.8566","0.0003","4.502","0.00012","90","","94.44","0.003","90","","305.283","0.013","230","1","230","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0347","0.0294","","","0.0691","0.0723","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241856","5.28841","0.00013","12.8335","0.0003","4.50014","0.00013","90","","94.541","0.003","90","","304.46","0.014","150","1","150","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0377","0.0314","","","0.0779","0.0821","","","","","","1.063","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241857","5.26753","0.00012","12.7667","0.0002","4.48007","0.0001","90","","94.738","0.002","90","","300.251","0.011","50","1","50","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0291","0.0271","","","0.0743","0.0761","","","","","","1.131","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241858","5.29393","0.00013","12.8775","0.0004","4.50545","0.00012","90","","94.381","0.003","90","","306.251","0.015","270","1","270","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0348","0.0294","","","0.0699","0.0729","","","","","","1.06","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241859","5.27158","0.00013","12.7597","0.0003","4.48224","0.00011","90","","94.731","0.003","90","","300.465","0.013","20","1","20","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0427","0.041","","","0.1104","0.1133","","","","","","1.08","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241860","5.2915","0.00015","12.8527","0.0004","4.50173","0.00014","90","","94.533","0.003","90","","305.205","0.016","190","1","190","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0361","0.0296","","","0.072","0.076","","","","","","1.037","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241861","5.28379","0.00013","12.8173","0.0003","4.49485","0.00012","90","","94.618","0.002","90","","303.421","0.013","120","1","120","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0365","0.0308","","","0.0734","0.0765","","","","","","1.087","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241862","5.2635","0.0002","12.732","0.0004","4.46891","0.00016","90","","94.675","0.004","90","","298.487","0.018","10","1","10","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0384","0.0344","","","0.103","0.1066","","","","","","1.101","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241863","12.0689","0.0003","11.6727","0.0003","21.7296","0.0006","90","","94.542","0.001","90","","3051.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Eu2 N16 O12 -","- C54 H38 Cl4 Eu2 N16 O12 -","- C108 H76 Cl8 Eu4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0453","0.0346","","","0.0829","0.0922","","","","","","1.007","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241864","12.0381","0.0004","11.6511","0.0003","21.7206","0.0007","90","","94.5441","0.001","90","","3036.89","0.16","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Gd2 N16 O12 -","- C54 H38 Cl4 Gd2 N16 O12 -","- C108 H76 Cl8 Gd4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0445","0.0362","","","0.0915","0.0992","","","","","","1.203","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241865","12.0165","0.0011","11.6234","0.0011","24.035","0.002","90","","115.388","0.005","90","","3032.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Dy2 N16 O12 -","- C54 H38 Cl4 Dy2 N16 O12 -","- C108 H76 Cl8 Dy4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0427","0.0365","","","0.1069","0.115","","","","","","0.995","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241866","12.0288","0.0004","11.6329","0.0003","21.7452","0.0006","90","","94.488","0.001","90","","3033.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 N16 O12 Tb2 -","- C54 H38 Cl4 N16 O12 Tb2 -","- C108 H76 Cl8 N32 O24 Tb4 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0413","0.0324","","","0.0789","0.0849","","","","","","1.011","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241867","9.9227","0.0005","12.457","0.0006","16.0614","0.0008","80.584","0.001","74.32","0.001","67.518","0.001","1762.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C68 H36 Br4 N4 O20 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0473","0.0381","","","0.104","0.1211","","","","","","1.023","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241868","11.4233","0.0011","12.1695","0.0012","15.1533","0.0014","70.483","0.001","87.865","0.002","78.592","0.001","1945.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0531","0.04","","","0.1","0.11","","","","","","1.046","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241869","11.695","0.0009","16.4637","0.0014","19.9029","0.0016","90","","103.851","0.003","90","","3720.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br4 N2 O10 Ru3 -","- C32 H16 Br4 N2 O10 Ru3 -","- C128 H64 Br16 N8 O40 Ru12 -","4","0.5","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0592","0.0354","","","0.0731","0.0797","","","","","","1.044","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241870","12.8182","0.0002","8.2926","0.0002","11.3803","0.0002","90","","90","","90","","1209.68","0.04","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.38 Se0.62 U -","- H10 Ni O15 S1.379 Se0.621 U -","- H40 Ni4 O60 S5.516 Se2.484 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0208","0.018","","","0.0414","0.0437","","","","","","1.057","","","","has coordinates,has disorder","262567","2021-03-05","01:45:11",""
"7241871","8.3598","0.0001","11.4808","0.0002","12.9631","0.0001","90","","92.894","0.001","90","","1242.58","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.77 Se1.23 U -","- H10 Ni O15 S0.775 Se1.225 U -","- H40 Ni4 O60 S3.1 Se4.9 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0172","","","0.0413","0.0416","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241872","8.3534","0.0003","11.4839","0.0003","12.9409","0.0004","90","","92.931","0.003","90","","1239.79","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.61 Se1.39 U -","- H10 Ni O15 S0.611 Se1.389 U -","- H40 Ni4 O60 S2.444 Se5.556 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0167","","","0.0409","0.0414","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241873","8.3752","0.0002","11.533","0.0003","13.0328","0.0003","90","","93.103","0.002","90","","1257.01","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.43 Se1.57 U -","- H10 Ni O15 S0.43 Se1.57 U -","- H40 Ni4 O60 S1.72 Se6.28 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0389","0.0256","","","0.0477","0.051","","","","","","1.041","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241874","12.7506","0.0001","8.3095","0.0001","11.2929","0.0001","90","","90","","90","","1196.5","0.02","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S2 U -","- H10 Ni O15 S2 U -","- H40 Ni4 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0282","0.0277","","","0.0752","0.0758","","","","","","1.128","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241875","12.8291","0.0009","8.2825","0.0005","11.3826","0.0006","90","","90","","90","","1209.48","0.13","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.2 Se0.8 U -","- H10 Ni O15 S1.198 Se0.802 U -","- H40 Ni4 O60 S4.792 Se3.208 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0443","0.0303","","","0.0609","0.0663","","","","","","1.043","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241876","8.3202","0.0004","11.4227","0.0004","12.882","0.0006","90","","92.718","0.004","90","","1222.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.96 Se1.04 U -","- H10 Ni O15 S0.958 Se1.042 U -","- H40 Ni4 O60 S3.832 Se4.168 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0567","0.0388","","","0.0663","0.071","","","","","","1.068","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241877","6.5114","0.0001","11.3829","0.0002","8.3439","0.0002","90","","90.773","0.002","90","","618.38","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H10 Mn O15 S2 U -","- H10 Mn O15 S2 U -","- H20 Mn2 O30 S4 U2 -","2","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0171","0.0163","","","0.0398","0.0401","","","","","","1.038","","","","has coordinates","262567","2021-03-05","01:45:12",""
"7241878","8.3902","0.0001","11.5601","0.0002","13.0744","0.0002","90","","93.309","0.001","90","","1265.99","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.22 Se1.78 U -","- H10 Ni O15 S0.216 Se1.784 U -","- H40 Ni4 O60 S0.864 Se7.136 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0147","0.014","","","0.0336","0.0338","","","","","","1.138","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241879","12.7808","0.0003","8.2806","0.0002","11.3074","0.0003","90","","90","","90","","1196.69","0.05","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.85 Se0.15 U -","- H10 Ni O15 S1.852 Se0.148 U -","- H40 Ni4 O60 S7.408 Se0.592 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0263","0.024","","","0.0631","0.0645","","","","","","1.044","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241880","8.3912","0.0002","11.5652","0.0003","13.1209","0.0003","90","","93.533","0.002","90","","1270.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 Se2 U -","- H10 Ni O15 Se2 U -","- H40 Ni4 O60 Se8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0396","0.0412","","","","","","1.031","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241881","12.916","0.0003","8.296","0.0002","11.2937","0.0003","90","","90","","90","","1210.13","0.05","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Co H10 O15 S2 U -","- Co H10 O15 S2 U -","- Co4 H40 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0269","0.0212","","","0.0457","0.0479","","","","","","1.045","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241882","12.783","0.0004","8.2863","0.0003","11.3033","0.0005","90","","90","","90","","1197.29","0.08","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.64 Se0.35 U -","- H10 Ni O15 S1.644 Se0.356 U -","- H40 Ni4 O60 S6.576 Se1.424 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0165","0.0159","","","0.0419","0.0422","","","","","","1.119","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241883","12.8695","0.0003","8.28206","0.00015","11.292","0.0002","90","","90","","90","","1203.57","0.04","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 O15 S2 U Zn -","- H10 O15 S2 U Zn -","- H40 O60 S8 U4 Zn4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0229","0.0205","","","0.0483","0.0498","","","","","","1.028","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241902","8.386","0.002","14.787","0.004","14.458","0.003","90","","96.9","0.1","90","","1779.9","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentacyanonitrosilferrates (II)","iron methylimidazole pentacyanonitrosilferrates (II)","","- C13 Fe2 N10 O -","- C13 Fe2 N10 O -","- C52 Fe8 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","powder diffraction","","1.54056","CuKα","","","","","","","","","12.7212","","","","","","","","has coordinates","262575","2021-03-05","01:46:35",""
"7241903","9.167","0.0005","10.2296","0.0005","15.6179","0.0008","73.752","0.004","80.35","0.004","84.476","0.004","1384.29","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(u-cyano)-cyano-tetrakis(1-methylimidazole)-nitrosyl-iron-copper]","","- C21 H24 Cu Fe N14 O -","- C21 H24 Cu Fe N14 O -","- C42 H48 Cu2 Fe2 N28 O2 -","2","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.0611","0.0397","","","0.0828","0.0938","","","","","","1.01","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241904","14.8493","0.0011","14.498","0.001","16.5461","0.0012","90","","90","","90","","3562.1","0.4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-zinc]","","- C13 H12 Fe N10 O Zn -","- C13 H12 Fe N10 O Zn -","- C104 H96 Fe8 N80 O8 Zn8 -","8","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.122","0.0492","","","0.0928","0.1048","","","","","","0.762","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241905","8.4311","0.001","14.9364","0.0015","14.6337","0.0016","90","","97.228","0.011","90","","1828.2","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-manganese]","","- C13 H12 Fe Mn N10 O -","- C13 H12 Fe Mn N10 O -","- C52 H48 Fe4 Mn4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.1037","0.046","","","0.094","0.1042","","","","","","0.813","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241906","8.4002","0.0003","15.2133","0.0005","14.896","0.0005","90","","98.048","0.003","90","","1884.88","0.11","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-cadmium]","","- C13 H12 Cd Fe N10 O -","- C13 H12 Cd Fe N10 O -","- C52 H48 Cd4 Fe4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.067","0.0387","","","0.0818","0.0974","","","","","","1.033","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241907","5.2628","0.0002","25.4439","0.0014","5.2264","0.0003","90","","96.777","0.002","90","","694.96","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0393","0.0333","","","0.0803","0.0839","","","","","","1.32","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241908","5.2978","0.0002","25.4806","0.0015","5.2759","0.0003","90","","97.132","0.002","90","","706.69","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0416","0.0334","","","0.0796","0.0837","","","","","","1.21","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241909","5.3056","0.0004","23.544","0.002","11.1942","0.001","90","","99.188","0.002","90","","1380.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C6 H14 N O0.5 -","- C6 H14 N O0.5 -","- C48 H112 N8 O4 -","8","2","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine – a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0626","0.0525","","","0.1184","0.124","","","","","","1.116","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241910","12.4835","0.0014","6.2084","0.0005","12.2415","0.0013","90","","95.025","0.004","90","","945.1","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0737","0.0481","","","0.1113","0.1227","","","","","","1.109","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241911","12.5492","0.0019","6.2375","0.0007","12.3157","0.0018","90","","94.551","0.005","90","","961","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.1132","0.0554","","","0.1062","0.1281","","","","","","1.065","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241912","5.3447","0.0004","23.72","0.002","11.2047","0.0009","90","","99.241","0.002","90","","1402.05","0.19","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C6 H14 N O0.5 -","- C6 H14 N O0.5 -","- C48 H112 N8 O4 -","8","2","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine – a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0646","0.0532","","","0.1318","0.1402","","","","","","1.069","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241913","13.176","0.003","6.3382","0.0011","11.846","0.002","90","","103.596","0.007","90","","961.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0422","0.0375","","","0.1034","0.1083","","","","","","1.137","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241914","13.2473","0.001","6.3988","0.0004","11.8886","0.0009","90","","103.251","0.002","90","","980.93","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0478","0.0392","","","0.1023","0.1113","","","","","","1.068","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241915","7.689","0.001","19.055","0.003","16.139","0.002","90","","92.027","0.004","90","","2363.1","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 S Zn -","- C22 H13 N3 O6 S Zn -","- C88 H52 N12 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Mu, Yun-Jing; Zhao, Bang-Tun","Viologen-derived material showing photochromic, visually oxygen responsive, and photomodulated luminescence behaviors","CrystEngComm","2021","23","4","1019","1024","10.1039/D0CE01630F","","","0.71073","MoKα","","0.0561","0.0388","","","0.0873","0.0956","","","","","","1.034","","","","has coordinates,has disorder","261603","2021-02-04","22:58:46",""
"7241916","9.126","0.002","8.627","0.002","28.397","0.002","90","","90","","90","","2235.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.63","synchrotron","","0.0292","0.0244","","","0.0626","0.0735","","","","","","1.287","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241917","9.3165","0.0011","27.144","0.003","12.8713","0.0014","90","","90.699","0.005","90","","3254.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0594","0.0473","","","0.1443","0.1556","","","","","","1.107","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241918","45.458","0.004","8.9432","0.0008","8.8219","0.0007","90","","98.251","0.006","90","","3549.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H0 I7 N4 Pb2 -","- C6 I7 N4 Pb2 -","- C24 I28 N16 Pb8 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.156","0.0983","","","0.294","0.3364","","","","","","1.075","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241919","32.5719","0.0016","6.1388","0.0003","6.1894","0.0003","90","","93.635","0.0019","90","","1235.1","0.1","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 I4 N2 Pb -","- C18 I4 N2 Pb -","- C36 I8 N4 Pb2 -","2","0.25","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0285","0.0283","","","0.0802","0.0804","","","","","","1.106","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241920","8.857","0.0018","8.675","0.0017","27.435","0.006","90","","90","","90","","2108","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.7","synchrotron","","0.0811","0.0626","","","0.1602","0.177","","","","","","1.082","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241921","8.152","0.0016","8.747","0.0018","15.148","0.003","90","","90","","90","","1080.1","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H8 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","synchrotron","","0.0639","0.0617","","","0.2007","0.2039","","","","","","1.138","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241922","9.6059","0.0001","15.3508","0.0001","19.727","0.0002","105.947","0.001","93.028","0.001","108.138","0.001","2627.33","0.05","160","0.1","160","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H57 Cl N2 O7 S -","- C31 H57 Cl N2 O7 S -","- C93 H171 Cl3 N6 O21 S3 -","3","3","","Li, Shuyu; Wang, Ting; Huang, Xin; Zhou, Lina; Chen, Mingyu; Liu, Wanying; Zhang, Xiunan; Dong, Yuyuan; Hao, Hongxun","The role of water in the formation of crystal structures: a case study of valnemulin hydrochloride","CrystEngComm","2021","23","1","47","55","10.1039/D0CE01459A","","","1.54184","CuKα","","0.0807","0.0745","","","0.2107","0.2253","","","","","","1.039","","","","has coordinates,has disorder","261596","2021-02-04","22:57:12",""
"7241923","18.41","0.009","30.209","0.014","12.589","0.006","90","","90","","90","","7001","6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H47 Cu N4 O11 S2 -","- C248 H188 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0822","0.0538","","","0.1503","0.1702","","","","","","1.03","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241924","11.4789","0.0003","14.7923","0.0005","15.0691","0.0005","115.911","0.001","110.477","0.001","95.342","0.001","2062.18","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N2 O8 S2 -","- C36 H26 Co N2 O8 S2 -","- C72 H52 Co2 N4 O16 S4 -","2","1","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0725","0.0469","","","0.1362","0.1497","","","","","","1.072","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241925","10.9393","0.0003","13.6939","0.0004","15.4106","0.0005","64.935","0.002","85.116","0.002","85.63","0.002","2081.48","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.068","0.0454","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241926","14.095","0.002","15.145","0.002","19.285","0.003","91.022","0.008","102.243","0.007","97.748","0.008","3981.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.1001","0.0558","","","0.152","0.1773","","","","","","1.048","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241927","12.4189","0.0004","20.0829","0.0006","28.0298","0.0008","90","","90","","90","","6990.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H48 Cu N4 O11 S2 -","- C248 H192 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.103","0.0621","","","0.1721","0.1943","","","","","","1.033","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241928","3.7996","0.0007","8.2477","0.0013","14.205","0.004","90","","90","","90","","445.16","0.17","275.2","","275.2","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C5 H12 -","- C5 H12 -","- C20 H48 -","4","0.5","","Liu, X.; Pulham, C. R.","Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane","CrystEngComm","2020","22","47","8251","8255","10.1039/D0CE01335H","","","0.71073","MoKα","","0.0575","0.0437","","","0.1178","0.127","","","","","","1.19","","","","has coordinates","260032","2020-12-20","02:21:22",""
"7241945","13.98878","0.00006","23.20468","0.00008","26.86614","0.00009","103.05","0.0003","91.7765","0.0003","93.9686","0.0003","8465.51","0.06","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C160 H117.4 Cd10 N25 O49.2 -","- C160 H117.4 Cd10 N25 O49.2 -","- C320 H234.8 Cd20 N50 O98.4 -","2","1","","Fan, Liming; Zhao, Dongsheng; Li, Bei; Chen, Xi; Wang, Feng; Deng, Yuxin; Niu, Yulan; Zhang, Xiutang","An exceptionally stable luminescent cadmium(ii) metal‒organic framework as a dual-functional chemosensor for detecting Cr(vi) anions and nitro-containing antibiotics in aqueous media","CrystEngComm","2021","23","5","1218","1225","10.1039/D0CE01721C","","x-ray","1.54184","CuKα","","0.0518","0.0498","","","0.1347","0.1365","","","","","","1.053","","","","has coordinates,has disorder","262566","2021-03-05","01:44:58",""
"7241946","14.0232","0.0019","14.0232","0.0019","25.446","0.007","90","","90","","120","","4333.6","1.5","298","2","298.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H38 N4 O14 Zn3 -","- C54 H38 N4 O14 Zn3 -","- C162 H114 N12 O42 Zn9 -","3","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione","CrystEngComm","2021","23","5","1243","1250","10.1039/D0CE01741H","","","0.71073","MoKα","","0.1242","0.0654","","","0.1491","0.1726","","","","","","1.03","","","","has coordinates","262572","2021-03-05","01:46:06",""
"7241947","3.8385","0.0008","27.44","0.006","12.924","0.003","90","","95.52","0.03","90","","1355","0.5","293","","293","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.5159","synchrotron","","0.0933","0.0619","","0.1567","0.1244","0.1567","","","","","","0.9871","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241948","3.86184","0.00017","27.587","0.0014","13.0065","0.0005","90","","95.678","0.004","90","","1378.87","0.11","150","","150","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.0513","0.0484","","0.1232","0.121","0.1232","","","","","","0.9623","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241949","3.8299","0.0003","27.522","0.0019","13.0115","0.0016","90","","95.766","0.01","90","","1364.6","0.2","80","","80","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.064","0.0599","","0.1596","0.1531","0.1596","","","","","","1.0078","","","","has coordinates,has disorder","261600","2021-02-04","22:58:00",""
"7241950","7.3014","0.00003","8.7017","0.00007","13.2339","0.00007","100.09","0.011","117.346","0.007","104.142","0.008","682.7","0.09","293","","293","","0.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1378","0.1187","","0.4324","0.4062","0.4324","","","","","","1.9981","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241951","7.0456","0.00003","8.1741","0.00007","12.2122","0.00006","101.337","0.011","114.199","0.007","104.453","0.008","584.57","0.07","293","","293","","3.75","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1313","0.1167","","0.4079","0.3895","0.4079","","","","","","1.9401","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241952","7.1745","0.00003","8.4378","0.00007","12.7346","0.00007","100.591","0.012","115.749","0.007","104.468","0.008","633.45","0.09","293","","293","","1.47","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1194","0.1015","","0.2606","0.2456","0.2606","","","","","","1.008","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241953","7.394","0.00003","8.9363","0.00007","13.688","0.00006","100.541","0.011","118.408","0.007","103.46","0.008","726.65","0.1","293","","293","","0","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.2496","0.2366","","0.5572","0.5524","0.5572","","","","","","1.6344","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241954","7.3922","0.00003","8.9272","0.00008","13.6524","0.00009","100.317","0.014","118.354","0.009","103.641","0.009","724.49","0.13","293","","293","","0.21","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.163","0.1389","","0.4195","0.389","0.4195","","","","","","1.714","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241955","7.029","0.00003","8.0085","0.00006","12.0805","0.00006","101.11","0.01","114.232","0.007","104.203","0.008","567.09","0.07","293","","293","","4.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1564","0.1352","","0.4498","0.4244","0.4498","","","","","","1.9834","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241956","7.0954","0.00003","8.2375","0.00007","12.3966","0.00006","100.861","0.011","114.958","0.007","104.5","0.008","599.22","0.08","293","","293","","2.86","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1339","0.1176","","0.4086","0.3845","0.4086","","","","","","1.8296","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241957","6.7041","0.0008","11.8458","0.001","30.358","0.004","90","","90","","90","","2410.9","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.107","0.0569","","","0.1036","0.1164","","","","","","0.952","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241958","6.7095","0.0004","11.8584","0.0006","30.4373","0.0015","90","","90","","90","","2421.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1178","0.0607","","","0.1155","0.131","","","","","","0.957","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241959","9.8463","0.0008","9.3601","0.0007","18.1965","0.0012","90","","91.888","0.003","90","","1676.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O7 -","- C16 H19 N5 O7 -","- C64 H76 N20 O28 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0694","0.043","","","0.11","0.1223","","","","","","0.931","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241960","12.1073","0.0009","6.2472","0.0005","21.321","0.0015","90","","94.374","0.004","90","","1608","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N12 O12 -","- C28 H34 Cu N12 O12 -","- C56 H68 Cu2 N24 O24 -","2","0.5","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1353","0.0571","","","0.1171","0.1469","","","","","","1.003","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241961","7.2922","0.0003","7.8666","0.0003","17.1901","0.0006","81.064","0.002","79.634","0.002","80.387","0.002","948.38","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N5 O8 -","- C16 H25 N5 O8 -","- C32 H50 N10 O16 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0937","0.0509","","","0.1234","0.1389","","","","","","0.945","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241962","7.592","0.0003","15.4924","0.0007","16.2129","0.0008","72.946","0.003","83.283","0.002","81.684","0.002","1798.3","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N10 O15 -","- C30 H46 N10 O15 -","- C60 H92 N20 O30 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0896","0.0472","","","0.1066","0.1195","","","","","","0.96","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241963","25.053","0.0012","10.4016","0.0005","8.0082","0.0003","90","","90","","90","","2086.87","0.16","293","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","(Protonated proton sponge) triiodoplumbate, beta phase","(Protonated proton sponge) triiodoplumbate, beta phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C56 H76 I12 N8 Pb4 -","4","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","12","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241964","28.0408","0.0006","17.385","0.0003","7.88582","0.00016","90","","90","","90","","3844.25","0.13","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) tribromoplumbate","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 Br3 N2 Pb -","- C14 H19 Br3 N2 Pb -","- C112 H152 Br24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","14.2","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241965","28.8862","0.0004","18.133","0.0002","8.02619","0.0001","90","","90","","90","","4204.07","0.09","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) triiodoplumbate, alpha phase","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C112 H152 I24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","9.9","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241966","26.6594","0.0003","9.2333","0.0001","17.6019","0.0002","90","","93.22","0.001","90","","4325.94","0.08","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N16 O7 Rb4 W2 -","- C32 H16 N16 O7 Rb4 W2 -","- C128 H64 N64 O28 Rb16 W8 -","4","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.0592","0.0428","","","0.0907","0.0967","","","","","","1.05","","","","has coordinates,has disorder","262564","2021-03-05","01:44:41",""
"7241967","8.4996","0.0002","9.2127","0.0002","14.357","0.0003","89.638","0.002","86.389","0.002","68.804","0.002","1045.92","0.04","200","2","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 K2 N8 O3 W -","- C16 H8 K2 N8 O3 W -","- C32 H16 K4 N16 O6 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.053","0.0463","","","0.1027","0.106","","","","","","1.023","","","","has coordinates","262564","2021-03-05","01:44:41",""
"7241968","6.73165","0.00019","7.0727","0.0002","7.95197","0.00018","86.2104","0.0017","72.5954","0.0018","85.649","0.002","359.851","0.017","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","1","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0382","0.0357","","","0.0971","0.0996","","","","","","1.119","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241969","7.6145","0.0003","12.323","0.0005","15.6653","0.0005","90","","101.077","0.002","90","","1442.54","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 O12 S2 -","- C20 H40 N6 O12 S2 -","- C40 H80 N12 O24 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0735","0.0581","","","0.1418","0.1535","","","","","","1.009","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241970","21.384","","8.2026","","9.6041","","90","","90","","90","","1684.6","","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S2 -","- C8 H12 N6 O7 S2 -","- C32 H48 N24 O28 S8 -","4","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1168","0.0951","","","0.2893","0.3067","","","","","","1.094","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241971","7.5488","0.0002","18.0321","0.0006","11.5759","0.0004","90","","91.052","0.006","90","","1575.45","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N9 O6 S2 -","- C26 H19 N9 O6 S2 -","- C52 H38 N18 O12 S4 -","2","1","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0693","0.0517","","","0.1494","0.154","","","","","","1.079","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241972","7.4854","0.0005","12.0766","0.0007","16.8284","0.001","90","","90.093","0.006","90","","1521.25","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N9 O6 S2 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1338","0.1099","","","0.3154","0.3472","","","","","","1.177","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241973","5.94009","0.00017","7.47","0.0002","20.086","0.0006","90","","90.581","0.006","90","","891.22","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N8 O6 S2 -","- C12 H20 N8 O6 S2 -","- C24 H40 N16 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0575","0.0535","","","0.1555","0.1606","","","","","","1.074","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241974","10.3886","0.0002","7.34813","0.00019","17.1099","0.0003","90","","103.338","0.0013","90","","1270.88","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N8 O8 S2 -","- C18 H30 N8 O8 S2 -","- C36 H60 N16 O16 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0414","0.0366","","","0.0996","0.1023","","","","","","1.114","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241975","7.623","0.0003","16.8745","0.0008","11.809","0.0006","90","","90.488","0.006","90","","1518.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N6 O6 S5 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1118","0.095","","","0.2899","0.3084","","","","","","1.083","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241976","5.6333","0.0002","8.584","0.0004","19.6694","0.0009","90","","92.189","0.004","90","","950.44","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0783","0.0524","","","0.1245","0.1396","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:08",""
"7241977","5.7177","0.0002","8.6998","0.0004","19.404","0.0009","90","","92.21","0.004","90","","964.49","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9 H10 Br0.5 Cl0.5 N O2 -","- C36 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.0854","0.0552","","","0.1095","0.122","","","","","","1.0283","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241978","5.6612","0.0004","8.6217","0.0007","19.164","0.002","90","","91.532","0.008","90","","935.04","0.14","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1312","0.058","","","0.1325","0.1765","","","","","","1.001","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241979","5.829","0.0016","8.757","0.002","18.712","0.008","90","","91.96","0.03","90","","954.6","0.5","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1654","0.1319","","","0.3203","0.3464","","","","","","1.058","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241980","5.8421","0.0007","8.2764","0.0014","18.838","0.003","90","","92.673","0.013","90","","909.9","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1398","0.0898","","","0.2217","0.2608","","","","","","1.089","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241981","5.7913","0.0003","8.792","0.0006","19.0844","0.0018","90","","92.462","0.006","90","","970.83","0.12","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0733","0.0439","","","0.0822","0.0918","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241982","5.9566","0.0006","8.7112","0.0009","18.065","0.003","90","","92.015","0.012","90","","936.8","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1601","0.0678","","","0.1515","0.1938","","","","","","1.022","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241983","5.8044","0.0007","8.6743","0.0012","18.561","0.003","90","","91.675","0.012","90","","934.1","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9.056 H10 Br0.5 Cl0.5 N O2 -","- C36.224 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1261","0.0783","","","0.1594","0.184","","","","","","1.153","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241984","5.91","0.0004","8.612","0.001","18.0253","0.0016","90","","91.628","0.007","90","","917.06","0.15","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cl N2 O4 -","- C18 H20 Br Cl N2 O4 -","- C36 H40 Br2 Cl2 N4 O8 -","2","0.5","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1183","0.0692","","","0.1168","0.1339","","","","","","1.153","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241988","3.849","0.006","9.074","0.015","10.642","0.017","81.17","0.04","79.73","0.02","77.77","0.02","354.8","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Br Cu N6 -","- C3 H6 Br Cu N6 -","- C6 H12 Br2 Cu2 N12 -","2","1","","Hou, Qin; Yang, Qingfeng; Miao, Chengxia; Duan, Junling; Zhang, Yuanhong; Ai, Shiyun","Efficient removal of Pb2+ and Cd2+ using a Cu(i)‒Br coordination polymer constructed with an amino-rich ligand","CrystEngComm","2021","23","6","1489","1496","10.1039/D0CE01785J","","","0.71073","MoKα","","0.0985","0.0686","","","0.1737","0.1887","","","","","","0.985","","","","has coordinates","262579","2021-03-05","01:47:18",""
"7241989","12.4204","0.0005","21.5953","0.0007","16.3081","0.0006","90","","102.907","0.004","90","","4263.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 N Nd O7.5 -","- C21 H16 N Nd O7.5 -","- C168 H128 N8 Nd8 O60 -","8","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0675","0.0688","","","","","","1.075","","","","has coordinates,has disorder","262580","2021-03-05","01:47:29",""
"7241990","19.4366","0.0009","8.7643","0.0004","45.084","0.002","90","","90","","90","","7680","0.6","120","2","120.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H64 Gd4 N4 O28 -","- C84 H64 Gd4 N4 O28 -","- C336 H256 Gd16 N16 O112 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","","0.71073","MoKα","","0.0897","0.0508","","","0.0842","0.0962","","","","","","1.005","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241991","11.9185","0.0003","21.873","0.0005","16.5342","0.0004","90","","100.476","0.002","90","","4238.51","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Eu2 N3 O15 -","- C45 H39 Eu2 N3 O15 -","- C180 H156 Eu8 N12 O60 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0353","0.022","","","0.0462","0.0499","","","","","","1.025","","","","has coordinates","262580","2021-03-05","01:47:30",""
"7241992","13.2526","0.0008","14.3785","0.0008","19.9214","0.001","70.927","0.005","74.63","0.005","75.542","0.005","3403.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","1","0.5","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","1.54184","CuKα","","0.0624","0.043","","","0.103","0.1171","","","","","","1.047","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241993","10.7683","0.0013","12.9615","0.0015","13.7053","0.0016","75.796","0.003","69.498","0.004","67.431","0.003","1640.8","0.3","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu2 N2 O7 S -","- C26 H18 Cu2 N2 O7 S -","- C52 H36 Cu4 N4 O14 S2 -","2","1","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.0403","0.0367","","","0.104","0.1066","","","","","","1.05","","","","has coordinates","262577","2021-03-05","01:46:54",""
"7241994","27.221","0.002","15.4625","0.0013","13.364","0.0011","90","","117.265","0.001","90","","5000","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Mn3 N4 O15 S2 -","- C50 H46 Mn3 N4 O15 S2 -","- C200 H184 Mn12 N16 O60 S8 -","4","0.5","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.054","0.0418","","","0.1093","0.1165","","","","","","1.042","","","","has coordinates,has disorder","262577","2021-03-05","01:46:54",""
"7241995","5.8453","0.0012","21.435","0.005","13.955","0.003","90","","95.506","0.003","90","","1740.4","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM;CYCLIC AMP SODIUM SALT; 3',5'-CYCLIC AMP NA","Adenosine 3',5'-Cyclic Monophosphate Sodium Salt Hydrate","","- C20 H38 N10 Na2 O20 P2 -","- C20 H38 N10 Na2 O20 P2 -","- C40 H76 N20 Na4 O40 P4 -","2","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0268","0.026","","","0.0657","0.0665","","","","","","1.07","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7241996","10.9535","0.0015","10.9535","0.0015","22.449","0.005","90","","90","","120","","2332.6","0.7","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C10 H15 N5 Na O8 P -","- C10 H15 N5 Na O8 P -","- C60 H90 N30 Na6 O48 P6 -","6","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0825","0.0547","","","0.1413","0.1582","","","","","","1.005","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7241997","10.4292","0.0002","15.3858","0.0003","26.9006","0.0004","90","","90","","90","","4316.51","0.13","133.15","","133.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H38 Mg2 N2 O21 Pt S4 -","- C13 H38 Mg2 N2 O21 Pt S4 -","- C52 H152 Mg8 N8 O84 Pt4 S16 -","4","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0313","0.0272","","","0.0656","0.0673","","","","","","1.15","","","","has coordinates,has disorder","260336","2021-01-01","04:05:15",""
"7241998","6.2643","0.0003","13.6027","0.0007","14.2439","0.0006","117.142","0.003","92.957","0.004","99.353","0.004","1054.74","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0333","0.0274","","","0.0666","0.0701","","","","","","1.044","","","","has coordinates","260336","2021-01-01","04:05:15",""
"7241999","6.7533","0.0003","7.4688","0.0004","11.335","0.0005","103.51","0.004","97.371","0.004","103.462","0.004","530.45","0.05","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0445","","","","","","1.104","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242000","25.8063","0.0006","10.7668","0.0002","23.2567","0.0005","90","","90.72","0.002","90","","6461.4","0.2","133.15","","133.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H26 Mn2 N2 O17 Pt S4 -","- C10 H26 Mn2 N2 O17 Pt S4 -","- C80 H208 Mn16 N16 O136 Pt8 S32 -","8","1","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.031","0.0291","","","0.0716","0.0726","","","","","","1.03","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242001","6.8663","0.0006","7.9281","0.0007","11.5395","0.001","94.147","0.007","101.197","0.007","114.893","0.007","550.53","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0849","0.0597","","","0.1477","0.1799","","","","","","1.188","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242002","6.319","0.0002","13.7134","0.0004","16.9778","0.0006","90","","97.989","0.003","90","","1456.93","0.08","133.15","","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 Fe2 N2 O22 Pt S4 -","- C10 H36 Fe2 N2 O22 Pt S4 -","- C20 H72 Fe4 N4 O44 Pt2 S8 -","2","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0382","0.0294","","","0.0587","0.0616","","","","","","1.184","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242003","6.2781","0.0004","13.6869","0.0011","14.2519","0.001","117.626","0.005","92.748","0.006","100.521","0.006","1054.34","0.15","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0508","0.0405","","","0.0983","0.107","","","","","","1.059","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242004","10.5366","0.0004","10.7815","0.0004","12.2029","0.0005","97.258","0.001","98.196","0.001","117.932","0.001","1182.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Sm -","- C25 H18 N4 O8 Sm -","- C50 H36 N8 O16 Sm2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0455","0.0332","","","0.0714","0.0752","","","","","","1.059","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242005","10.4665","0.0004","10.692","0.0004","12.2202","0.0005","96.974","0.001","98.572","0.001","117.604","0.001","1169.68","0.08","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","1","0.5","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0405","0.0358","","","0.085","0.0876","","","","","","1.038","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242006","10.4833","0.0004","10.712","0.0004","12.2096","0.0005","97.082","0.001","98.465","0.001","117.663","0.001","1172.06","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Tb -","- C25 H18 N4 O8 Tb -","- C50 H36 N8 O16 Tb2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0292","0.0255","","","0.0643","0.066","","","","","","1.054","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242007","10.5279","0.0008","10.7664","0.0008","12.2112","0.0016","97.308","0.002","98.164","0.001","117.842","0.001","1181.5","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Eu N4 O8 -","- C25 H18 Eu N4 O8 -","- C50 H36 Eu2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0332","0.0301","","","0.0817","0.0902","","","","","","1.086","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242008","10.502","0.0004","10.7425","0.0004","12.2129","0.0005","97.093","0.001","98.38","0.001","117.775","0.001","1176.88","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Gd N4 O8 -","- C25 H18 Gd N4 O8 -","- C50 H36 Gd2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0315","0.0293","","","0.0785","0.0801","","","","","","1.112","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242009","14.163","0.017","10.101","0.012","10.664","0.012","90","","106.827","0.015","90","","1460","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 H2 K O18 -","- B11 H2 K O18 -","- B44 H8 K4 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0652","0.0443","","","0.0913","0.1014","","","","","","1.045","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242010","14.183","0.007","10.192","0.005","11.348","0.005","90","","106.022","0.006","90","","1576.7","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 Cs H2 O18 -","- B11 Cs H2 O18 -","- B44 Cs4 H8 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0663","0.0488","","","0.0762","0.0812","","","","","","0.932","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242011","12.8502","0.0005","25.0643","0.001","15.0803","0.0006","90","","100.722","0.001","90","","4772.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H40 Co2 N4 O15 P4 Si -","- C176 H160 Co8 N16 O60 P16 Si4 -","4","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0639","0.0453","","","0.1176","0.1294","","","","","","1.028","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242012","14.8494","0.0014","14.9534","0.0013","15.098","0.0013","67.608","0.002","88.443","0.002","64.186","0.002","2751.4","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 Co2 N4 O24 P4 Si -","- C44 H60 Co2 N4 O24 P4 Si -","- C88 H120 Co4 N8 O48 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0959","0.0587","","","0.1309","0.1514","","","","","","1.037","","","","has coordinates,has disorder","261610","2021-02-04","22:59:42",""
"7242013","25.3454","0.001","14.9757","0.0006","21.3503","0.0008","90","","106.49","0.001","90","","7770.5","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29.5 Co2 N2 O14 P4 Si -","- C34 H29.5 Co2 N2 O14 P4 Si -","- C272 H236 Co16 N16 O112 P32 Si8 -","8","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0561","0.0401","","","0.1063","0.116","","","","","","1.043","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242014","13.683","0.0009","14.9714","0.001","15.0532","0.001","61.509","0.001","68.125","0.001","64.224","0.001","2386.9","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H42 Co2 N4 O15 P4 Si -","- C88 H84 Co4 N8 O30 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0518","0.04","","","0.0965","0.1039","","","","","","1.039","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242015","13.864","0.011","12.086","0.011","14.994","0.012","90","","111.62","0.02","90","","2336","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","0.5","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.054","0.0494","","","0.132","0.1371","","","","","","1.084","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242016","7.075","0.003","19.857","0.002","12.811","0.002","90","","94.991","0.002","90","","1793","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0435","0.0355","","","0.0927","0.0995","","","","","","1.04","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242017","6.855","0.004","7.642","0.003","24.281","0.004","90.019","0.003","92.555","0.002","107.022","0.004","1214.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C52 H56 N8 O12 -","2","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0388","0.0339","","","0.091","0.0947","","","","","","1.047","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242018","13.9934","0.0011","14.1253","0.0011","19.0474","0.0015","76.683","0.002","68.564","0.002","85.169","0.003","3410.3","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H74 Co2 I3 K N4 O14 -","- C64 H74 Co2 I3 K N4 O14 -","- C128 H148 Co4 I6 K2 N8 O28 -","2","1","","Ghosh, Kousik; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex","CrystEngComm","2021","23","6","1429","1438","10.1039/D0CE01513J","","","0.71073","MoKα","","0.0627","0.0544","","","0.1766","0.1915","","","","","","1.183","","","","has coordinates","262576","2021-03-05","01:46:48",""
"7242021","21.079","0.002","6.9804","0.0006","9.4823","0.0013","90","","100.721","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H17 Ag I2 N4 O -","- C7 H15 Ag I2 N4 O -","- C28 H60 Ag4 I8 N16 O4 -","4","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0426","0.0344","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242022","9.7304","0.0016","7.1624","0.0008","11.7858","0.0017","90","","111.815","0.018","90","","762.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 I3 N4 -","- C7 H15 Ag2 I3 N4 -","- C14 H30 Ag4 I6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0451","0.0361","","","0.0937","0.1013","","","","","","1.035","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242023","9.6337","0.0015","6.8617","0.0007","11.3159","0.0016","90","","113.127","0.017","90","","687.91","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 Br3 N4 O0 -","- C7 H16 Ag2 Br3 N4 -","- C14 H32 Ag4 Br6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0693","0.0589","","","0.2069","0.2294","","","","","","1.036","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242024","21.718","0.0013","7.8066","0.0006","24.1817","0.0017","90","","90.887","0.006","90","","4099.4","0.5","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N2 Na4 O10 -","- C50 H36 N2 Na4 O10 -","- C200 H144 N8 Na16 O40 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.2167","0.1321","","","0.3476","0.3874","","","","","","1.119","","","","has coordinates","260852","2021-01-08","03:07:11",""
"7242025","17.329","0.004","36.085","0.007","15.194","0.003","90","","94.59","0.03","90","","9471","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H83.25 K9 N3.25 O38.5 -","- C91 H51 K9 N O26.5 -","- C364 H204 K36 N4 O106 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","","0.71073","Synchrotron","","0.0829","0.0722","","","0.2254","0.2364","","","","","","1.053","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242026","22.8138","0.0011","7.9496","0.0004","26.091","0.0011","90","","96.564","0.004","90","","4700.9","0.4","150","0.14","150","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H46.5 Na4 O16.25 -","- C50 H46 Na4 O16.25 -","- C200 H184 Na16 O65 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.1475","0.0698","","","0.1399","0.169","","","","","","1.029","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242027","13.1438","0.0007","17.2839","0.001","17.6953","0.0011","90","","104.028","0.006","90","","3900.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C216 H120 N24 O24 -","6","1.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.199","0.0631","","","0.1304","0.1682","","","","","","0.866","","","","has coordinates","262556","2021-03-05","01:43:41",""
"7242028","7.7993","0.0003","22.8606","0.0008","33.5658","0.0011","90","","90","","90","","5984.7","0.4","138","","138","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C50 H26 N8 O21 -","- C50 H26 N8 O21 -","- C200 H104 N32 O84 -","4","0.25","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.1621","0.1258","","","0.3764","0.3999","","","","","","1.493","","","","has coordinates,has disorder","262556","2021-03-05","01:43:42",""
"7242029","16.6037","0.0003","10.0174","0.0002","32.0776","0.0005","90","","100.676","0.002","90","","5242.98","0.17","138","","138","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 N10 O21 S2 -","- C52 H40 N10 O21 S2 -","- C208 H160 N40 O84 S8 -","4","0.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.0535","0.0429","","","0.1136","0.1202","","","","","","1.109","","","","has coordinates","262556","2021-03-05","01:43:42",""
"7242030","9.0784","0.0003","13.877","0.0004","16.6645","0.0004","90","","105.807","0.001","90","","2020.02","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 Co2 N6 O -","- C18 H16 Cl2 Co2 N6 O -","- C72 H64 Cl8 Co8 N24 O4 -","4","1","","Wu, Wen-Hao; Wang, Ya-Qun; Mi, Hong-Li; Xue, Qing-Xuan; Shao, Feng; Shen, Fei; Yang, Feng-Lei","Magnetic relaxation in a Co(ii) chain complex: synthesis, structure, and DFT computational coupling constant","CrystEngComm","2021","23","6","1398","1405","10.1039/D0CE01662D","","","0.71073","MoKα","","0.0493","0.0328","","","0.0878","0.0927","","","","","","1.048","","","","has coordinates","262582","2021-03-05","01:47:52",""
"7242031","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","262584","2021-03-05","01:48:16",""
"7242032","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","262584","2021-03-05","01:48:17",""
"7242033","12.519","0.003","13.668","0.003","16.827","0.003","99.56","0.03","108.37","0.03","95.92","0.03","2657.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","1","0.5","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.7","synchrotron","","0.0818","0.0724","","","0.206","0.2117","","","","","","1.07","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242034","12.716","0.003","13.798","0.003","16.84","0.003","97.8","0.03","110.15","0.03","98.57","0.03","2686.6","1.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Ag Cl N3 O13 -","- C60 H54 Ag Cl N3 O13 -","- C120 H108 Ag2 Cl2 N6 O26 -","2","1","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.8","synchrotron","","0.0848","0.0765","","","0.2184","0.2271","","","","","","1.018","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242038","7.7112","0.0003","12.8858","0.0006","19.6573","0.0008","90","","91.982","0.002","90","","1952.08","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C72 H56 Ag4 F24 N16 Sb4 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0284","0.0239","","","0.0532","0.0553","","","","","","1.034","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242039","13.6966","0.0013","13.1588","0.0012","26.895","0.003","90","","96.078","0.004","90","","4820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C144 H112 Ag8 F48 N32 Sb8 -","8","2","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.1064","0.0909","","","0.1788","0.1851","","","","","","1.135","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242040","16.2711","0.001","15.9716","0.0011","15.6817","0.0011","90","","102.447","0.003","90","","3979.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Ag2 F12 N8 Sb2 -","- C36 H28 Ag2 F12 N8 Sb2 -","- C144 H112 Ag8 F48 N32 Sb8 -","4","0.5","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0245","0.0223","","","0.0479","0.0492","","","","","","1.051","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242041","16.2241","0.0015","9.242","0.0009","23.889","0.002","90","","107.447","0.002","90","","3417.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ag B N4 -","- C42 H34 Ag B N4 -","- C168 H136 Ag4 B4 N16 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0396","0.0289","","","0.0656","0.0695","","","","","","1.046","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242042","9.5737","0.0005","11.8435","0.0005","15.8044","0.0009","75.085","0.004","75.49","0.004","84.345","0.004","1675.28","0.15","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O7.5 Zn -","- C37 H32 N6 O4 Zn -","- C74 H64 N12 O8 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.1282","0.1071","","","0.2672","0.2773","","","","","","1.087","","","","has coordinates","262593","2021-03-05","01:49:34",""
"7242043","10.8405","0.0003","11.9854","0.0004","15.6874","0.0005","68.832","0.003","82.546","0.002","75.177","0.002","1835.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N6 O10 Zn2 -","- C41 H36 N6 O10 Zn2 -","- C82 H72 N12 O20 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.064","0.041","","","0.0833","0.09","","","","","","1.021","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242044","8.478","0.0002","11.9324","0.0003","13.6431","0.0003","105.021","0.002","101.269","0.002","105.692","0.003","1229.9","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N3 O9 Zn2 -","- C27 H18 N3 O9 Zn2 -","- C54 H36 N6 O18 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0762","0.0485","","","0.1301","0.1428","","","","","","1.077","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242045","8.8439","0.0001","10.2104","0.0002","10.7211","0.0002","99.388","0.002","96.184","0.001","101.935","0.001","924.41","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17.5 N3 O5.5 Zn -","- C20 H16.5 N3 O5.5 Zn -","- C40 H33 N6 O11 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0456","0.0331","","","0.0844","0.0887","","","","","","1.086","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242046","15.1093","0.0007","17.6849","0.0007","8.2597","0.0003","90","","100.468","0.003","90","","2170.31","0.16","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C34 H52 Ag2 N6 O6 Si4 -","- C34 H52 Ag2 N6 O6 Si4 -","- C68 H104 Ag4 N12 O12 Si8 -","2","0.25","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0263","0.0237","","","0.0601","0.0623","","","","","","1.14","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242047","10.536","0.002","10.805","0.002","17.843","0.004","84.11","0.03","73.3","0.03","73.1","0.03","1861.2","0.8","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","1","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.63","synchrotron","","0.068","0.0517","","","0.1697","0.1826","","","","","","1.088","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242048","13.1079","0.0003","12.2055","0.0004","14.7073","0.0004","90","","106.888","0.002","90","","2251.52","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag B F4 N2 Si2 -","- C17 H26 Ag B F4 N2 Si2 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0908","0.0596","","","0.1513","0.1756","","","","","","1.022","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242049","9.3612","0.0004","16.6277","0.0008","14.6315","0.0007","90","","99.453","0.001","90","","2246.54","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0492","0.0408","","","0.1084","0.1173","","","","","","1.053","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242050","13.055","0.003","12.393","0.003","14.789","0.003","90","","106.13","0.03","90","","2298.5","1","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag Cl N2 O4 Si2 -","- C17 H26 Ag Cl N2 O4 Si2 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.65","synchrotron","","0.0634","0.0525","","","0.1785","0.1881","","","","","","1.055","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242051","9.478","0.0002","16.6234","0.0004","14.6344","0.0004","90","","98.938","0.001","90","","2277.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0373","0.0288","","","0.065","0.0704","","","","","","1.08","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242052","12.6","0.0005","13.2029","0.0006","14.6341","0.0006","90","","101.204","0.002","90","","2388.08","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag F6 N2 P Si2 -","- C17 H26 Ag F6 N2 P Si2 -","- C68 H104 Ag4 F24 N8 P4 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0627","0.0427","","","0.1018","0.1143","","","","","","1.034","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242053","15.1069","0.0018","10.2825","0.0011","20.87","0.002","90","","90","","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N3 O8 S -","- C14 H16 Cu N3 O8 S -","- C112 H128 Cu8 N24 O64 S8 -","8","1","","Zhu, Jin-Long; Zhu, Peizhi; Chen, Hai-Tao; Yan, Min; Zhang, Kou-Lin","Distinct solvent-dependent luminescence sensing property of a newly constructed Cu(ii)‒organic framework","CrystEngComm","2021","23","9","1929","1941","10.1039/D0CE01724H","","","0.71073","MoKα","","0.0477","0.0356","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","263725","2021-04-05","14:34:36",""
"7242081","15.679","0.009","11.03","0.006","18.158","0.011","90","","102.581","0.017","90","","3065","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N5 O7 Zn -","- C34 H27 N5 O7 Zn -","- C136 H108 N20 O28 Zn4 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0872","0.0519","","","0.1007","0.1103","","","","","","0.999","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242082","16.564","0.007","17.185","0.007","10.62","0.005","90","","92.819","0.016","90","","3019","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Co N5 O7 -","- C34 H27 Co N5 O7 -","- C136 H108 Co4 N20 O28 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0514","0.0458","","","0.1269","0.1302","","","","","","0.977","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242083","13.8693","0.001","50.702","0.004","8.3094","0.0006","90","","90","","90","","5843.2","0.8","302","2","302","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C64 H44 N10 O13 Zn2 -","- C64 H44 N10 O13 Zn2 -","- C256 H176 N40 O52 Zn8 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.1098","0.0757","","","0.1513","0.1592","","","","","","1.269","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242084","24.357","0.002","16.6019","0.0016","18.5781","0.0019","90","","90","","90","","7512.5","1.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C82 H60 Co3 N14 O15 -","- C82 H60 Co3 N14 O15 -","- C328 H240 Co12 N56 O60 -","4","0.5","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0693","0.0515","","","0.1261","0.1343","","","","","","0.983","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242085","23.5717","0.001","7.6109","0.0003","16.3266","0.0008","90","","124.849","0.002","90","","2403.73","0.19","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N14 O4 -","- C20 H16 Co N14 O4 -","- C80 H64 Co4 N56 O16 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0417","0.0366","","","0.0908","0.0935","","","","","","1.035","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242086","20.4571","0.0013","16.4629","0.0013","10.3821","0.0007","90","","99.791","0.003","90","","3445.6","0.4","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd3 N7 O18 -","- C27 H25 Cd3 N7 O18 -","- C108 H100 Cd12 N28 O72 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0311","0.0228","","","0.0542","0.057","","","","","","1.036","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242087","9.7397","0.0005","13.5689","0.0006","12.187","0.0006","90","","113.423","0.0013","90","","1477.88","0.12","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cd N7 O4 -","- C11 H7 Cd N7 O4 -","- C44 H28 Cd4 N28 O16 -","4","1","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.027","0.0215","","","0.0486","0.0505","","","","","","1.033","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242088","10.1603","0.0005","11.7436","0.0005","13.3228","0.0006","81.308","0.001","73.137","0.001","88.206","0.001","1503.7","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","1","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0617","0.0397","","","0.0986","0.106","","","","","","1.04","","","","has coordinates,has disorder","262558","2021-03-05","01:43:55",""
"7242089","14.0276","0.0008","7.865","0.0004","14.9871","0.0008","90","","115.475","0.002","90","","1492.72","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.0633","0.0457","","","0.1072","0.1137","","","","","","1.105","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242090","16.4359","0.0013","3.8887","0.0003","45.843","0.004","90","","90","","90","","2930","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.1558","0.0597","","","0.0845","0.104","","","","","","1.014","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242091","6.989","0.0014","8.308","0.0017","16.476","0.003","83.84","0.03","78.78","0.03","79.1","0.03","919","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H31 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.0906","0.0627","","","0.1562","0.1726","","","","","","1.007","","","","has coordinates","262553","2021-03-05","01:42:55",""
"7242092","7.595","0.007","9.979","0.01","20.822","0.019","85.1","0.03","83.7","0.04","84.22","0.03","1556","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H57 Br N2 O -","- C28 H57 Br N2 O -","- C56 H114 Br2 N4 O2 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","1.54178","CuKα","","0.082","0.0611","","","0.1243","0.1319","","","","","","1.168","","","","has coordinates","262553","2021-03-05","01:42:58",""
"7242093","22.453","0.0013","8.5697","0.0005","10.2184","0.0007","90","","91.87","0.002","90","","1965.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C68 H132 Br4 N8 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.1164","0.0517","","","0.1123","0.1357","","","","","","1.02","","","","has coordinates","262553","2021-03-05","01:43:00",""
"7242094","11.389","0.005","25.046","0.005","10.134","0.005","90","0.005","106.839","0.005","90","0.005","2766.8","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 N10 Ni O12 -","- C62 H48 N10 Ni O12 -","- C124 H96 N20 Ni2 O24 -","2","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71069","MoKα","","0.1249","0.0627","","","0.1582","0.1936","","","","","","1.019","","","","has coordinates","262568","2021-03-05","01:45:29",""
"7242095","27.1381","0.0015","9.546","0.0005","26.1291","0.0014","90","","119.788","0.002","90","","5874.6","0.6","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 N8 Ni2 O13 -","- C62 H60 N8 Ni2 O13 -","- C248 H240 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0659","0.0397","","","0.0985","0.1107","","","","","","1.015","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242096","10.8482","0.0004","11.7284","0.0005","25.7782","0.0009","90","","100.649","0.001","90","","3223.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 Ni O10 -","- C32 H32 N4 Ni O10 -","- C128 H128 N16 Ni4 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0494","0.0351","","","0.0912","0.0986","","","","","","1.025","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242097","24.0029","0.0019","8.5417","0.0007","17.688","0.0013","90","","92.236","0.003","90","","3623.7","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 N6 Ni O12 -","- C38 H28 N6 Ni O12 -","- C152 H112 N24 Ni4 O48 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1581","0.0862","","","0.2382","0.2893","","","","","","1.053","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242098","27.98","0.004","9.5268","0.0011","26.15","0.003","90","","121.298","0.005","90","","5956.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 N8 Ni2 O13 -","- C68 H56 N8 Ni2 O13 -","- C272 H224 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0794","0.0433","","","0.0978","0.1129","","","","","","1.004","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242099","12.5279","0.0007","11.1904","0.0006","20.7164","0.0012","90","","97.053","0.001","90","","2882.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cu N4 O10 -","- C27 H28 Cu N4 O10 -","- C108 H112 Cu4 N16 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1448","0.0598","","","0.1369","0.1762","","","","","","0.953","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242100","11.2388","0.0008","11.4778","0.0008","12.7315","0.001","93.977","0.002","105.839","0.002","95.628","0.002","1564.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Cu N4 O7 -","- C33 H36 Cu N4 O7 -","- C66 H72 Cu2 N8 O14 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0984","0.0547","","","0.123","0.1379","","","","","","0.99","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242101","9.0605","0.0006","14.3095","0.0009","15.1659","0.001","90","","104.665","0.001","90","","1902.2","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Cu N4 O9 -","- C40 H36 Cu N4 O9 -","- C80 H72 Cu2 N8 O18 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1146","0.0612","","","0.1418","0.1682","","","","","","1.006","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242102","26.608","0.006","13.302","0.002","21.946","0.004","90","","111.863","0.007","90","","7209","2","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cu N6 O10 -","- C38 H28 Cu N6 O10 -","- C304 H224 Cu8 N48 O80 -","8","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1486","0.0532","","","0.1125","0.1499","","","","","","0.926","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242103","23.655","0.004","8.6269","0.0013","17.55","0.003","90","","91.319","0.003","90","","3580.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 Ni O8 -","- C40 H38 N4 Ni O8 -","- C160 H152 N16 Ni4 O32 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.083","0.0662","","","0.174","0.1865","","","","","","1.058","","","","has coordinates,has disorder","262568","2021-03-05","01:45:30",""
"7242112","18.5939","0.0008","7.6992","0.0003","14.9541","0.0007","90","","90","","90","","2140.8","0.16","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C88 H80 N16 Ni4 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0254","0.0226","","","0.0525","0.0536","","","","","","1.03","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242113","5.5521","0.0017","10.63","0.003","10.978","0.003","66.111","0.004","87.833","0.005","80.289","0.005","583.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0438","0.0381","","","0.1226","0.1391","","","","","","1.209","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242114","11.0003","0.0006","12.7408","0.0007","15.3439","0.0008","103.41","0.001","108.677","0.001","95.755","0.001","1945.82","0.18","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.055","0.0492","","","0.1383","0.1408","","","","","","1.212","","","","has coordinates,has disorder","262585","2021-03-05","01:48:29",""
"7242115","12.4014","0.0007","13.6927","0.0007","12.6869","0.0006","90","","105.129","0.002","90","","2079.68","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C88 H80 Co4 N16 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0604","0.0504","","","0.1761","0.1835","","","","","","1.076","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242116","9.031","0.005","9.063","0.006","16.232","0.01","96.661","0.009","92.025","0.009","111.918","0.008","1219.7","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Co N6 O4 -","- C28 H23 Co N6 O4 -","- C56 H46 Co2 N12 O8 -","2","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0472","0.0409","","","0.1113","0.1168","","","","","","1.037","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242117","15.3304","0.0016","17.4349","0.0018","15.9678","0.0018","90","","90","","90","","4267.9","0.8","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C176 H160 N32 Ni8 O40 -","8","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0837","0.0466","","","0.1066","0.1256","","","","","","1.06","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242124","13.0566","0.0003","13.1211","0.0003","15.1852","0.0003","92.7541","0.0018","96.9186","0.0018","94.0236","0.0018","2571.98","0.1","210.05","0.1","210.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0666","0.0581","","","0.1717","0.1837","","","","","","1.044","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242125","6.8417","0.0003","12.7268","0.0006","15.2879","0.0006","104.555","0.004","99.233","0.003","98.058","0.004","1248.84","0.1","100.05","0.1","100.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C56 H80 O8 -","1","0.5","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0463","0.0363","","","0.0895","0.0973","","","","","","1.018","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242126","12.9716","0.0003","13.0379","0.0003","14.9706","0.0003","95.6026","0.0016","92.8626","0.0016","94.0129","0.0016","2509.48","0.1","99.8","0.4","99.8","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0411","0.0359","","","0.0935","0.0981","","","","","","1.037","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242127","12.6612","0.0004","14.1198","0.0003","15.7544","0.0004","104.714","0.002","96.728","0.002","99.499","0.002","2649.14","0.13","250","0.14","250","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0844","0.0748","","","0.246","0.2636","","","","","","1.065","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242128","25.3668","0.0002","25.3668","0.0002","15.1922","0.0002","90","","90","","90","","9775.79","0.17","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 Eu N O7 -","- C14 H8 Eu N O7 -","- C224 H128 Eu16 N16 O112 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0503","0.0473","","","0.1809","0.1843","","","","","","1.086","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242129","25.3649","0.0001","25.3649","0.0001","15.2716","0.0001","90","","90","","90","","9825.41","0.08","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 N O7 Tb -","- C14 H8 N O7 Tb -","- C224 H128 N16 O112 Tb16 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0642","0.0607","","","0.2499","0.2579","","","","","","1.105","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242130","13.4885","0.0001","11.1767","0.0001","16.4909","0.0002","90","","98.544","0.001","90","","2458.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0323","0.0304","","","0.0765","0.0778","","","","","","1.054","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242131","7.1366","0.0002","10.7767","0.0003","16.6259","0.0004","90","","100.221","0.002","90","","1258.39","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl N2 O2 S -","- C11 H15 Cl N2 O2 S -","- C44 H60 Cl4 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0365","0.0308","","","0.075","0.08","","","","","","1.042","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242132","10.8235","0.0005","11.2124","0.0005","12.3443","0.0005","90.05","0.003","108.737","0.004","114.559","0.004","1274.54","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","0.71073","MoKα","","0.0539","0.0408","","","0.1043","0.1142","","","","","","1.049","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242133","7.0472","0.0002","10.7489","0.0002","16.9533","0.0004","90","","99.109","0.002","90","","1268.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.5418","CuKα","","0.0326","0.0291","","","0.0708","0.0735","","","","","","1.047","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242134","8.972","0.006","7.067","0.005","16.369","0.01","90","","94.273","0.011","90","","1035","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide tetrahydrate","","- C3 H14 N6 O6 -","- C3 H14 N6 O6 -","- C12 H56 N24 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0616","0.0433","","","0.1122","0.1237","","","","","","1.014","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242135","15.358","0.006","7.426","0.003","15.144","0.006","90","","111.743","0.007","90","","1604.3","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6-diamino-1,3-dihydroxy-2-oxo-2,3-dihydro-1,3,5-triazin-1-ium nitrate","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1017","0.05","","","0.1118","0.1379","","","","","","0.985","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242136","7.055","0.003","8.868","0.004","9.776","0.004","86.644","0.007","69.909","0.007","87.122","0.008","573.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","sodium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide pentahydrate","","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","1","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1594","0.1089","","","0.2548","0.3113","","","","","","0.908","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242137","13.067","0.003","14.398","0.003","6.5342","0.0013","90","","90","","90","","1229.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,6-diamino-3-hydroxy-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide hemihydrate","","- C6 H12 N10 O7 -","- C6 H12 N10 O7 -","- C24 H48 N40 O28 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1057","0.052","","","0.0962","0.1123","","","","","","0.881","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242138","10.619","0.002","7.138","0.0014","14.224","0.003","90","","103.238","0.003","90","","1049.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide tetrahydrate","","- C3 H12 N5 Na O7 -","- C3 H12 N5 Na O7 -","- C12 H48 N20 Na4 O28 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0546","0.0382","","","0.09","0.0975","","","","","","0.96","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242139","13.776","0.007","3.764","0.002","12.796","0.006","90","","90","","90","","663.5","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","potassium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide","","- C3 H5 K N6 O2 -","- C3 H5 K N6 O2 -","- C12 H20 K4 N24 O8 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0911","0.0507","","","0.0764","0.0876","","","","","","0.833","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242140","4.0471","0.0009","11.869","0.003","16.879","0.004","90","","91.091","0.004","90","","810.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide dihydrate","","- C3 H10 N6 O4 -","- C3 H10 N6 O4 -","- C12 H40 N24 O16 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0407","0.0341","","","0.0873","0.0924","","","","","","1.024","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242141","9.2305","0.0009","7.0126","0.0007","27.175","0.002","90","","90","","90","","1759","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","potassium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide . 2.5H2O","","- C6 H18 K2 N10 O11 -","- C6 H18 K2 N10 O11 -","- C24 H72 K8 N40 O44 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0525","0.0423","","","0.1287","0.136","","","","","","1.057","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242142","7.448","0.003","8.709","0.004","10.072","0.004","114.164","0.006","94.456","0.006","107.497","0.007","553.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-triamino-1,3-dihydroxy-1,3,5-triazine-1,3-diium dinitrate monohydrate","","- C3 H10 N8 O9 -","- C3 H10 N8 O9 -","- C6 H20 N16 O18 -","2","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1059","0.0591","","","0.1427","0.1732","","","","","","1.002","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242143","6.635","0.003","13.288","0.006","10.347","0.002","90","","96.915","0.018","90","","905.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-3-hydroxy-1,3,5-triazin-3-ium-1-oxide nitrate monohydrate","","- C3 H9 N7 O6 -","- C3 H9 N7 O6 -","- C12 H36 N28 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1915","0.0627","","","0.1183","0.1575","","","","","","0.767","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242155","11.7035","0.0003","11.3841","0.0003","25.252","0.0007","90","","94.194","0.001","90","","3355.41","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 N10 Ni2 O6 -","- C27 H44 N10 Ni2 O6 -","- C108 H176 N40 Ni8 O24 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0519","0.0405","","","0.1046","0.1095","","","","","","1.104","","","","has coordinates,has disorder","263727","2021-04-05","14:34:50",""
"7242156","11.5492","0.0004","12.424","0.0003","21.6851","0.0006","90","","90","","90","","3111.54","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N10 Ni2 O5 -","- C26 H40 N10 Ni2 O5 -","- C104 H160 N40 Ni8 O20 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0275","0.026","","","0.0555","0.056","","","","","","1.063","","","","has coordinates","263727","2021-04-05","14:34:50",""
"7242157","10.8408","0.0011","11.1512","0.0011","11.3568","0.0011","84.292","0.005","75.957","0.005","69.533","0.005","1247.6","0.2","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0889","0.055","","","0.1465","0.1637","","","","","","1.073","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242158","9.93","0.007","11.296","0.008","11.859","0.009","87.742","0.01","83.324","0.009","65.023","0.009","1197.6","1.5","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole, 1,3-bis(4'-pyridyl)-2,4-bis(phenyl)cyclobutane hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.2288","0.1069","","","0.2422","0.2896","","","","","","0.937","","","","has coordinates","262571","2021-03-05","01:46:00",""
"7242159","10.6906","0.0011","11.0302","0.0011","11.085","0.0011","84.721","0.005","76.416","0.005","70.095","0.002","1194.6","0.2","125","2","125.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0704","0.0488","","","0.1089","0.123","","","","","","1.021","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242160","8.0382","0.0003","12.2095","0.0004","14.6675","0.0006","101.51","0.003","90.312","0.003","97.846","0.003","1396.56","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 Dy N2 O5 -","- C28 H24 Cl3 Dy N2 O5 -","- C56 H48 Cl6 Dy2 N4 O10 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","x-ray","0.71073","MoKα","","0.0628","0.0429","","","0.0811","0.0872","","","","","","1.033","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242161","8.1546","0.0005","12.2361","0.0007","14.7108","0.0008","101.392","0.002","90.257","0.002","98.318","0.002","1422.97","0.14","299","2","299.12","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 N2 O5 Tb -","- C28 H24 Cl3 N2 O5 Tb -","- C56 H48 Cl6 N4 O10 Tb2 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","","0.71073","MoKα","","0.0479","0.032","","","0.0656","0.0709","","","","","","1.035","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242162","7.6162","0.0002","9.0782","0.0002","33.1663","0.0009","97.562","0.002","91.13","0.002","93.405","0.002","2268.33","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(2-methyl-5-(4-undecyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C49 H62 F6 O2 S2 -","- C49 H62 F6 O2 S2 -","- C98 H124 F12 O4 S4 -","2","1","","Higashiguchi, Takuya; Kitagawa, Daichi; Kobatake, Seiya","Anisotropic bending and twisting behaviour of a twin crystal composed of a diarylethene","CrystEngComm","2021","23","34","5795","5800","10.1039/D0CE01705A","","","0.71075","MoKα","","0.0667","0.0578","","","0.1514","0.1582","","","","","","1.13","","","","has coordinates","268692","2021-09-06","10:33:11",""
"7242166","16.369","0.003","17.804","0.003","25.19","0.007","90","","90","","90","","7341","3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H52 Ba3 N2 O16 -","- C64 H52 Ba3 N2 O16 -","- C256 H208 Ba12 N8 O64 -","4","1","","Wang, Meng; Liu, Jiao; Jin, Jing; Wu, Dan; Yang, Guoping; Zhang, Wen-Yan; Wang, Yao-Yu","A new 3D luminescent Ba-organic framework with high open metal sites: CO2 fixation, luminescence sensing, and dye sorption","CrystEngComm","2021","23","3","663","670","10.1039/D0CE01604G","","","0.71073","MoKα","","0.0356","0.0341","","","0.1067","0.1082","","","","","","1.077","","","","has coordinates","261246","2021-01-27","02:40:29",""
"7242167","8.632","0.007","19.326","0.019","12.434","0.008","90","","97.75","0.03","90","","2055","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C62 H90 Co2 N10 O8 P4 S8 -","2","1","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1152","0.068","","","0.1507","0.1737","","","","","","0.958","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242168","24.5759","0.0011","39.5254","0.0018","7.5072","0.0003","90","","90","","90","","7292.3","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C240 H352 Co8 N48 O32 P16 S32 -","8","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0199","0.0197","","","0.0545","0.0546","","","","","","1.113","","","","has coordinates","263719","2021-04-05","14:33:10",""
"7242169","23.624","0.005","9.1342","0.0019","18.34","0.004","90","","102.254","0.008","90","","3867.4","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C124 H180 Co4 N20 O16 P8 S16 -","4","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1191","0.061","","","0.1456","0.177","","","","","","1.035","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242170","12.6723","0.0006","19.8452","0.0009","7.445","0.0004","90","","90","","90","","1872.3","0.16","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C60 H88 Co2 N12 O8 P4 S8 -","2","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0227","0.0221","","","0.0587","0.0591","","","","","","1.074","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242171","27.2403","0.001","27.2403","0.001","31.01","0.002","90","","90","","120","","19927.7","1.6","296","2","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H24 N6 Ru Se9 Sn4 -","- C30 H24 N6 Ru Se9 Sn4 -","- C540 H432 N108 Ru18 Se162 Sn72 -","18","1","","Zhang, Tao; Hu, Yue-Qiao; Li, Qian-Wen; Chen, Wei-Peng; Zheng, Yan-Zhen","Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response","CrystEngComm","2021","23","9","1881","1884","10.1039/D0CE01685C","","","0.71073","MoKα","","0.0317","0.0293","","","0.0711","0.0726","","","","","","1.031","","","","has coordinates","263723","2021-04-05","14:34:11",""
"7242172","8.677","0.002","9.036","0.004","10.283","0.004","77.57","0.03","78.49","0.03","78.96","0.019","762.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N13 O6 -","- C9 H13 N13 O6 -","- C18 H26 N26 O12 -","2","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","synchrotron","","0.0448","0.0391","","","0.099","0.1044","","","","","","1.0697","","","","has coordinates","263724","2021-04-05","14:34:19",""
"7242173","21.16","0.05","13.182","0.009","11.89","0.02","90","","105.45","0.18","90","","3197","10","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N30 O11.5 -","- C16 H29 N30 O11.5 -","- C64 H116 N120 O46 -","4","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","GaKα","","0.1039","0.0769","","","0.2011","0.2248","","","","","","1.043","","","","has coordinates","263724","2021-04-05","14:34:28",""
"7242174","8.7512","0.0006","9.7054","0.0006","12.4718","0.0009","67.684","0.006","74.454","0.006","65.499","0.006","883.98","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","1","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0431","0.0333","","","0.0768","0.0824","","","","","","1.056","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242175","12.3838","0.0006","7.2105","0.0003","20.8942","0.0009","90","","105.847","0.005","90","","1794.81","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C64 H64 N8 O40 Zn4 -","4","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0276","0.025","","","0.063","0.0645","","","","","","1.11","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242176","9.3282","0.0005","9.0226","0.0005","9.2963","0.0005","90","","95.931","0.006","90","","778.23","0.07","298","2","298","","100","","100","","","","UFMG","5","P 1 21/c 1","-P 2ybc","14","Cufenox","","","- C16 H12 Cu N2 O8 -","- C16 H12 Cu N2 O8 -","- C32 H24 Cu2 N4 O16 -","2","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01457","2.674","","","","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242177","17.8273","0.0006","17.8273","0.0006","17.8273","0.0006","90","","90","","90","","5665.7","0.3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C2 H12 N6 O4 S -","- C2 H12 N6 O4 S -","- C40 H240 N120 O80 S20 -","20","0.833333","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0384","0.0371","","","0.1163","0.1178","","","","","","1.199","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242178","7.1728","0.0004","11.1002","0.0007","19.361","0.0012","90","","100.265","0.002","90","","1516.84","0.16","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O10 S2 -","- C22 H38 N8 O10 S2 -","- C44 H76 N16 O20 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.039","0.0336","","","0.0762","0.0785","","","","","","1.025","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242179","10.8776","0.0004","10.8776","0.0004","20.4184","0.0007","90","","90","","90","","2415.95","0.15","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C9 H34 N10 O8 S2 -","- C9 H34 N10 O8 S2 -","- C36 H136 N40 O32 S8 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0268","0.0254","","","0.062","0.0628","","","","","","1.09","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242180","26.0251","0.0008","22.0693","0.0006","12.5545","0.0004","90","","90","","90","","7210.7","0.4","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H87 N34 O26.5 S6 -","- C21 H87 N34 O26.5 S6 -","- C84 H348 N136 O106 S24 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0642","0.0482","","","0.1309","0.142","","","","","","1.045","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242181","12.3826","0.0009","11.1225","0.0007","7.7723","0.0005","90","","102.385","0.002","90","","1045.53","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H26 N10 O9 S2 -","- C8 H26 N10 O9 S2 -","- C16 H52 N20 O18 S4 -","2","0.5","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0223","0.0216","","","0.055","0.0554","","","","","","1.076","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242182","7.4737","0.0006","11.8491","0.0011","13.0179","0.0013","90","","93.723","0.003","90","","1150.39","0.18","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H28 N10 O9 S2 -","- C9 H28 N10 O9 S2 -","- C18 H56 N20 O18 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.034","0.0297","","","0.068","0.0701","","","","","","1.056","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242183","10.0469","0.001","10.0469","0.001","17.318","0.0017","90","","90","","120","","1513.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C8 H24 N10 O8 S2 -","- C7.9998 H24 N10.0002 O8 S2 -","- C23.9994 H72 N30.0006 O24 S6 -","3","0.166667","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0265","0.0257","","","0.0629","0.0632","","","","","","1.091","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242184","8.2933","0.0003","9.051","0.0003","9.0781","0.0003","97.574","0.002","96.833","0.002","111.473","0.002","618.18","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0275","0.0255","","","0.0751","0.0768","","","","","","1.056","","","","has coordinates","261270","2021-01-27","16:26:17",""
"7242185","8.6187","0.0004","8.9469","0.0004","9.1211","0.0004","94.987","0.002","111.423","0.002","97.27","0.002","642.69","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0191","0.0175","","","0.0478","0.0486","","","","","","1.055","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242186","8.6506","0.0003","9.2253","0.0003","14.1506","0.0004","90","","94.43","0.002","90","","1125.91","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe N6 S2 -","- C22 H16 Fe N6 S2 -","- C44 H32 Fe2 N12 S4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0438","0.0342","","","0.087","0.095","","","","","","1.035","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242187","17.053","0.008","10.562","0.005","18.44","0.009","90","","99.51","0.03","90","","3276","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl6 Fe N6 S2 -","- C24 H18 Cl6 Fe N6 S2 -","- C96 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0938","0.0623","","","0.1605","0.1892","","","","","","1.089","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242188","17.1155","0.0003","10.4757","0.0002","18.5942","0.0003","90","","98.979","0.001","90","","3293.03","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Fe N6 S2 -","- C24 H18 Br6 Fe N6 S2 -","- C96 H72 Br24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0588","0.0477","","","0.1188","0.126","","","","","","1.071","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242189","9.8578","0.0013","12.8582","0.0015","13.1284","0.0016","90","","96.601","0.006","90","","1653","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl6 Fe N6 Se2 -","- C24 H18 Cl6 Fe N6 Se2 -","- C48 H36 Cl12 Fe2 N12 Se4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0593","0.0392","","","0.0927","0.1","","","","","","1.082","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242190","16.7183","0.001","11.0655","0.0006","11.7733","0.0007","90","","127.456","0.002","90","","1728.96","0.18","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H18 Br6 Fe N6 Se2 -","- C24 H18 Br6 Fe N6 Se2 -","- C48 H36 Br12 Fe2 N12 Se4 -","2","0.25","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0982","0.0625","","","0.158","0.1799","","","","","","1.041","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242191","11.1974","0.0003","12.7343","0.0003","12.9086","0.0003","64.468","0.001","73.24","0.001","64.474","0.001","1486.83","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 N7 O6 S Zn -","- C30 H25 N7 O6 S Zn -","- C60 H50 N14 O12 S2 Zn2 -","2","1","","Yao, Shu-Li; Xiong, Yu-Chen; Tian, Xue-Mei; Liu, Sui-Jun; Xu, Hui; Zheng, Teng-Fei; Chen, Jing-Lin; Wen, He-Rui","A multifunctional benzothiadiazole-based fluorescence sensor for Al3+, Cr3+ and Fe3+","CrystEngComm","2021","23","9","1898","1905","10.1039/D1CE00060H","","","0.71073","MoKα","","0.0553","0.0405","","","0.0945","0.1034","","","","","","1.016","","","","has coordinates","263722","2021-04-05","14:34:03",""
"7242192","11.6686","0.0018","4.5292","0.0007","25.933","0.004","90","","102.908","0.005","90","","1335.9","0.4","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1034","0.093","","","0.2381","0.243","","","","","","1.249","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242193","14.522","0.003","12.084","0.003","8.162","0.002","90","","90","","90","","1432.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.0477","0.0444","","","0.108","0.1111","","","","","","1.087","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242194","14.293","0.005","7.17","0.003","23.932","0.008","90","","92.238","0.011","90","","2450.7","1.6","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F5 N O -","- C15 H6 F5 N O -","- C120 H48 F40 N8 O8 -","8","2","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1561","0.0845","","","0.1691","0.1946","","","","","","1.089","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242195","17.672","0.002","18.819","0.003","26.029","0.004","80.998","0.002","72.959","0.002","65.534","0.002","7527.1","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H198 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0749","0.0459","","","0.0918","0.1051","","","","","","1.006","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242196","21.182","0.004","16.487","0.003","28.78","0.004","90","","130.213","0.009","90","","7675","2","296","2","296","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C60 H104 Cl0 Cu5 N20 Na O134 P5 W30 -","- C60 H52 Cu5 N20 Na O134 P5 W30 -","- C120 H104 Cu10 N40 Na2 O268 P10 W60 -","2","1","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0654","0.0552","","","0.1295","0.1353","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242197","29.418","0.005","21.615","0.004","25.107","0.004","90","","99.316","0.003","90","","15754","5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 N20 Na O129 P5 W30 Zn3 -","- C60 H56 N20 Na O129 P5 W30 Zn3 -","- C240 H224 N80 Na4 O516 P20 W120 Zn12 -","4","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0903","0.054","","","0.1081","0.1217","","","","","","1.042","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242198","16.234","0.006","16.833","0.006","17.107","0.007","67.181","0.006","64.121","0.006","82.689","0.007","3872","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H88 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0725","0.0447","","","0.1","0.1146","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242199","35.3301","0.0011","10.8822","0.0003","7.5873","0.0002","90","","90","","90","","2917.08","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C112 H128 N48 O32 -","8","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.0743","0.0467","","","0.0941","0.1078","","","","","","1.077","","","","has coordinates","263734","2021-04-05","14:36:29",""
"7242200","7.0401","0.0002","21.032","0.0008","12.0394","0.0005","90","","90.15","0.012","90","","1782.64","0.11","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N7 O4 -","- C17 H21 N7 O4 -","- C68 H84 N28 O16 -","4","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.1197","0.0578","","","0.1155","0.1435","","","","","","1.047","","","","has coordinates,has disorder","263734","2021-04-05","14:36:29",""
"7242209","9.6704","0.0008","18.4228","0.0016","6.7919","0.0006","90","","100.184","0.002","90","","1190.95","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 Nd2 O14 -","- C22 H14 N6 Nd2 O14 -","- C44 H28 N12 Nd4 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0308","0.0242","","","0.056","0.0585","","","","","","1.021","","","","has coordinates","263735","2021-04-05","14:36:35",""
"7242210","9.5741","0.0008","18.3271","0.0015","6.7762","0.0006","90","","100.057","0.001","90","","1170.72","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Eu2 N6 O14 -","- C22 H14 Eu2 N6 O14 -","- C44 H28 Eu4 N12 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.022","0.0203","","","0.0454","0.0461","","","","","","1.085","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242211","9.6045","0.001","18.37","0.002","6.7842","0.0007","90","","100.076","0.0018","90","","1178.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 O14 Sm2 -","- C22 H14 N6 O14 Sm2 -","- C44 H28 N12 O28 Sm4 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0363","0.0266","","","0.0613","0.0655","","","","","","0.975","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242212","16.154","0.0015","7.1493","0.0007","23.597","0.002","90","","103.89","0.003","90","","2645.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br4 N8 O5 -","- C52.0064 H50.016 Br4 N8 O5.0016 -","- C104.013 H100.032 Br8 N16 O10.0032 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0489","0.0461","","","0.1361","0.1412","","","","","","1.083","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242213","7.6814","0.0017","14.159","0.003","22.547","0.005","90","","91.184","0.006","90","","2451.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Br4 N8 O4 -","- C56 H50 Br4 N8 O4 -","- C112 H100 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0311","0.0297","","","0.0849","0.0859","","","","","","1.013","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242214","7.6473","0.0012","14.096","0.002","22.535","0.004","90","","91.643","0.004","90","","2428.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0475","0.041","","","0.1258","0.144","","","","","","1.284","","","","has coordinates","262588","2021-03-05","01:48:57",""
"7242215","7.6615","0.0006","14.1104","0.0011","22.4415","0.0017","90","","91.574","0.002","90","","2425.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br4 N8 O4 -","- C56 H48 Br4 N8 O4 -","- C112 H96 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0284","0.0269","","","0.0749","0.076","","","","","","1.038","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242216","7.4001","0.0001","26.1446","0.0006","10.7253","0.0002","90","","93.977","0.001","90","","2070.06","0.07","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","2","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0754","0.0517","","","0.1457","0.1652","","","","","","1.037","","","","has coordinates","262592","2021-03-05","01:49:27",""
"7242217","17.4483","0.0006","6.0743","0.0002","7.2533","0.0002","90","","96.229","0.003","90","","764.21","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-cresol_oxalic acid","","- C8 H9 O3 -","- C8 H9 O3 -","- C32 H36 O12 -","4","1","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0531","0.0454","","","0.0999","0.104","","","","","","1.054","","","","has coordinates,has disorder","262592","2021-03-05","01:49:27",""
"7242233","6.2882","0.0002","22.9444","0.0005","9.3448","0.0002","90","","96.832","0.002","90","","1338.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tert-butyl 3,6-bis(4-methoxyphenyl)-1,4-dioxopyrrolo[3,4- c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","- C60 H64 N4 O16 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","0.6889","synchrotron","","0.0645","0.0479","","","0.1168","0.1237","","","","","","1.08","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242234","11.49","0.0002","10.8917","0.0001","11.4382","0.0002","90","","103.253","0.001","90","","1393.32","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-methoxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0899","0.0914","","","","","","1.037","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242235","11.3208","0.0002","8.58917","0.00016","13.192","0.0003","90","","108.388","0.002","90","","1217.25","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-hydroxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C56 H64 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.0997","0.1042","","","","","","1.06","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242236","12.4391","0.0017","15.1213","0.0015","9.5874","0.0008","90","","96.47","0.01","90","","1791.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C40 H52 N2 O6 -","- C40 H52 N2 O6 -","- C80 H104 N4 O12 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1027","0.085","","","0.2398","0.2621","","","","","","1.069","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242237","16.4073","0.0009","10.3312","0.0004","21.7327","0.001","90","","91.113","0.005","90","","3683.2","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Di-tert-butyl 3,6-bis(4-((tert-butoxycarbonyl)oxy)phenyl)-1,4-dioxopyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C38 H44 N2 O12 -","- C38 H44 N2 O12 -","- C152 H176 N8 O48 -","4","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.053","0.0452","","","0.1122","0.1184","","","","","","1.031","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242238","5.2797","0.0014","7.831","0.002","16.028","0.003","76.61","0.02","85.29","0.02","76.64","0.02","626.9","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dihexyl-3,6-bis(4-hydroxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","1","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1663","0.088","","","0.1686","0.2184","","","","","","0.983","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242239","11.036","0.0008","11.6239","0.0006","11.4808","0.001","90","","118.259","0.011","90","","1297.2","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-methoxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C60 H72 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0541","0.0525","","","0.1382","0.1411","","","","","","1.044","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242240","12.428","0.003","13.933","0.003","18.288","0.004","90","","90","","90","","3166.7","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Ca N2 O15 -","- C22 H50 Ca N2 O15 -","- C88 H200 Ca4 N8 O60 -","4","1","","Han, Dandan; Du, Shichao; Wu, Songgu; Ouyang, Ruiling; Gong, Junbo","Optimizing the morphology of calcium d-pantothenate by controlling phase transformation processes","CrystEngComm","2021","23","10","2162","2173","10.1039/D0CE01803A","","","0.71073","MoKα","","0.1205","0.0777","","","0.1636","0.1847","","","","","","1.031","","","","has coordinates","263718","2021-04-05","14:32:58",""
"7242241","13.1851","0.0003","11.0699","0.0003","8.081","0.0002","90","","102.35","0.0011","90","","1152.19","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag Cl2 N3 O4 -","- C8 H6 Ag Cl2 N3 O4 -","- C32 H24 Ag4 Cl8 N12 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0608","0.0372","","","0.076","0.0838","","","","","","1.057","","","","has coordinates,has disorder","263729","2021-04-05","14:35:09",""
"7242242","3.804","0.0012","7.186","0.002","20.386","0.006","97.28","0.02","93.93","0.02","98.52","0.02","544.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Br N4 O3 -","- C8 H6 Ag Br N4 O3 -","- C16 H12 Ag2 Br2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.1532","0.0556","","","0.0747","0.094","","","","","","1","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242243","3.7261","0.0002","7.1007","0.0004","19.4928","0.0011","97.342","0.003","94.485","0.003","98.505","0.003","503.4","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag F N4 O3 -","- C8 H6 Ag F N4 O3 -","- C16 H12 Ag2 F2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0487","0.0383","","","0.0979","0.1038","","","","","","1.071","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242244","8.0342","0.0006","21.6112","0.0015","12.453","0.0009","90","","90.03","","90","","2162.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Ag Cl I2 N6 O4 -","- C16 H12 Ag Cl I2 N6 O4 -","- C64 H48 Ag4 Cl4 I8 N24 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0624","0.0393","","","0.0783","0.0821","","","","","","1.007","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242245","9.3818","0.0002","7.9318","0.0001","33.2918","0.0006","90","","90","","90","","2477.39","0.08","277","2","277","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Ag Br Cl N3 O4 -","- C8 H6 Ag Br Cl N3 O4 -","- C64 H48 Ag8 Br8 Cl8 N24 O32 -","8","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0403","0.034","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242246","3.7598","0.0005","7.1464","0.001","20.287","0.003","97.388","0.003","94.146","0.003","98.6","0.002","532.16","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Cl N4 O3 -","- C8 H6 Ag Cl N4 O3 -","- C16 H12 Ag2 Cl2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0717","0.0573","","","0.1447","0.1554","","","","","","1.068","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242247","13.157","0.009","11.92","0.008","19.644","0.013","90","","108.564","0.018","90","","2920","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 N4 O6 Zn2 -","- C26 H40 N4 O6 Zn2 -","- C104 H160 N16 O24 Zn8 -","4","0.5","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.1389","0.0884","","","0.2427","0.2866","","","","","","0.989","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242248","8.3694","0.0013","11.2558","0.0018","15.878","0.003","104.975","0.004","101.287","0.004","97.972","0.004","1388.5","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N10 O2 Zn2 -","- C22 H34 N10 O2 Zn2 -","- C44 H68 N20 O4 Zn4 -","2","1","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.0812","0.051","","","0.1327","0.1628","","","","","","1.055","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242250","10.1788","0.0003","10.1788","0.0003","6.0633","0.0002","90","","90","","120","","544.04","0.03","300","2","300","2","","","","","","","","5","P 63","P 6c","173","","","","- Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89 -","- Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825 -","- Cd0.746 Cl2.07 Ga2.0008 La6 S11.93 -","4","0.666667","","Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang","La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold","CrystEngComm","2021","23","10","2133","2137","10.1039/D0CE01852J","","","0.71073","MoKα","","0.0182","0.0165","","","0.0348","0.0352","","","","","","1.122","","","","has coordinates,has disorder","265937","2021-06-05","18:06:28",""
"7242261","23.723","0.002","18.8503","0.0019","15.0119","0.0013","90","","102.003","0.004","90","","6566.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4.5 O12 Zn2 -","- C34 H24 N4.5 O12 Zn2 -","- C272 H192 N36 O96 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.0791","0.0565","","","0.1383","0.1554","","","","","","1.075","","","","has coordinates,has disorder","263732","2021-04-05","14:35:47",""
"7242262","24.717","0.003","19.189","0.003","15.197","0.002","90","","105.906","0.006","90","","6931.9","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 N4.5 O10.5 Zn2 -","- C37 H26.5 N4.5 O10.5 Zn2 -","- C296 H212 N36 O84 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1351","0.0826","","","0.185","0.2313","","","","","","1.133","","","","has coordinates,has disorder","263732","2021-04-05","14:35:57",""
"7242263","24.379","0.002","18.81","0.002","15.0638","0.0013","90","","104.484","0.004","90","","6688.2","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22.5 Br1.5 N3 O8 Zn2 -","- C34 H20.5 Br1.5 N3 O8 Zn2 -","- C272 H164 Br12 N24 O64 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1176","0.077","","","0.1804","0.2069","","","","","","1.119","","","","has coordinates,has disorder","263732","2021-04-05","14:35:59",""
"7242264","24.8175","0.0017","19.1673","0.0017","15.1781","0.0011","90","","106.266","0.004","90","","6931","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 Br1.5 N3 O7.5 Zn2 -","- C37 H26.5 Br1.5 N3 O7.5 Zn2 -","- C296 H212 Br12 N24 O60 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.089","0.0719","","","0.1665","0.1826","","","","","","1.067","","","","has coordinates,has disorder","263732","2021-04-05","14:36:08",""
"7242268","14.0266","0.001","24.0079","0.0016","16.5999","0.0012","90","","100.791","0.002","90","","5491.2","0.7","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C128 H128 Cu8 Ge2 N32 O80 S32 W24 -","2","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1851","0.0695","","","0.1238","0.161","","","","","","1.003","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242269","12.374","0.003","15.539","0.004","19.761","0.005","86.897","0.005","87.383","0.005","69.637","0.005","3555.5","1.6","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0942","0.0498","","","0.0926","0.1084","","","","","","0.958","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242270","12.315","0.003","15.474","0.004","19.504","0.005","86.664","0.005","87.32","0.005","69.631","0.005","3477","1.5","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1395","0.0565","","","0.1007","0.1282","","","","","","0.968","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242271","24.4397","0.0007","14.9911","0.0007","23.8988","0.0009","90","","116.637","0.001","90","","7826.7","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 B Cu2 N16 O43 W12 -","- C44 H68 B Cu2 N16 O43 W12 -","- C176 H272 B4 Cu8 N64 O172 W48 -","4","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0354","0.0257","","","0.0508","0.0534","","","","","","1.03","","","","has coordinates","263738","2021-04-05","14:37:38",""
"7242272","12.3151","0.0019","15.487","0.002","19.695","0.003","86.76","0.004","87.368","0.004","69.774","0.003","3517.7","0.9","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1893","0.0707","","","0.1381","0.1806","","","","","","0.924","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242273","8.0137","0.0009","11.6967","0.0013","13.9362","0.0015","72.124","0.001","81.673","0.001","78.364","0.001","1212.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","br-kz-br","","- C28 H21 Br2 N3 -","- C28 H21 Br2 N3 -","- C56 H42 Br4 N6 -","2","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0462","0.0347","","","0.0873","0.0932","","","","","","1.049","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242274","7.3087","0.0004","11.598","0.0007","14.7149","0.0008","98.253","0.005","93.797","0.005","100.037","0.005","1210.18","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 Br3 N3 -","- C28 H20 Br3 N3 -","- C56 H40 Br6 N6 -","2","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole–acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","1.54186","CuKα","","0.0481","0.0361","","","0.0887","0.094","","","","","","0.946","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7242275","17.509","0.009","12.679","0.007","12.592","0.007","90","","105.956","0.007","90","","2688","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zhu06","brkznbr2","","- C30 H27 Br N4 -","- C30 H27 Br N4 -","- C120 H108 Br4 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0933","0.0701","","","0.2071","0.2285","","","","","","1.039","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242276","17.292","0.004","13.172","0.003","12.572","0.003","90","","106.655","0.002","90","","2743.4","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0861","0.0573","","","0.1714","0.1866","","","","","","1.104","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242277","14.9068","0.0015","13.0177","0.0013","12.5244","0.0013","90","","108.611","0.001","90","","2303.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","kzben","kzben","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0588","0.047","","","0.1352","0.1497","","","","","","1.041","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242278","7.3602","0.0003","10.9308","0.0003","20.5402","0.0008","90","","97.231","0.003","90","","1639.38","0.1","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl Fe Hg N O S2 -","- C14 H16 Cl Fe Hg N O S2 -","- C56 H64 Cl4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0546","0.0571","","","","","","1.051","","","","has coordinates","263736","2021-04-05","14:36:43",""
"7242279","11.8081","0.0002","7.406","0.0001","19.7888","0.0003","90","","97.731","0.002","90","","1714.82","0.05","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Fe Hg I N O S2 -","- C14 H16 Fe Hg I N O S2 -","- C56 H64 Fe4 Hg4 I4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","1.54184","CuKα","","0.0504","0.0471","","","0.1349","0.1378","","","","","","1.031","","","","has coordinates,has disorder","263736","2021-04-05","14:36:44",""
"7242280","7.4965","0.0003","10.9988","0.0004","20.2524","0.0008","90","","90","","90","","1669.86","0.11","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H16 Br Fe Hg N O S2 -","- C14 H16 Br Fe Hg N O S2 -","- C56 H64 Br4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0527","0.0537","","","","","","1.069","","","","has coordinates","263736","2021-04-05","14:36:44",""
"7242281","10.9041","0.0005","12.2722","0.0005","13.4566","0.0005","69.298","0.004","78.815","0.004","88.35","0.004","1650.91","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N5 O14 -","- C31 H35 N5 O14 -","- C62 H70 N10 O28 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0582","0.0479","","","0.1289","0.1402","","","","","","1.018","","","","has coordinates,has disorder","265973","2021-06-05","18:13:55",""
"7242282","8.3259","0.0002","12.0387","0.0003","12.3941","0.0003","83.826","0.002","85.681","0.002","83.373","0.002","1224.35","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0527","0.0427","","","0.1076","0.1169","","","","","","1.027","","","","has coordinates","265973","2021-06-05","18:13:56",""
"7242296","22.2701","0.0006","22.2701","0.0006","13.1106","0.0004","90","","90","","120","","5631.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H14 N6 O11 S Zn3 -","- C27 H14 N6 O11 S Zn3 -","- C162 H84 N36 O66 S6 Zn18 -","6","1","","Li, Le-Qian; Yao, Shu-Li; Tian, Xue-Mei; Zheng, Teng-Fei; Li, Jin-Yan; Liu, Sui-Jun; Chen, Jing-Lin; Yu, Mei-Hui; Wen, He-Rui","A fluorescence red-shift and turn-on sensor for acetylacetone derived from ZnII-based metal‒organic framework with new topology","CrystEngComm","2021","23","13","2532","2537","10.1039/D1CE00127B","","","0.71073","MoKα","","0.0807","0.0766","","","0.2091","0.2146","","","","","","1.033","","","","has coordinates","265969","2021-06-05","18:13:00",""
"7242306","36.4661","0.0005","36.4661","0.0005","36.4661","0.0005","90","","90","","90","","48491.8","1.2","293","","293","","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C2304 H1728 O384 -","96","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0634","0.0537","","","0.1678","0.1811","","","","","","1.072","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242307","20.3993","0.0004","8.82171","0.00015","9.7628","0.00017","90","","95.1304","0.0017","90","","1749.84","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0407","0.0392","","","0.1076","0.1093","","","","","","1.078","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242308","20.3982","0.0004","8.72673","0.0002","9.6682","0.0002","90","","95.154","0.002","90","","1714.07","0.06","120.1","0.1","120.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0375","0.0354","","","0.0952","0.0975","","","","","","1.063","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242309","10.4718","0.0006","10.6341","0.0005","11.1086","0.0006","80.52","0.004","82.65","0.005","83.754","0.005","1205.24","0.11","293","","293","","","","","","","","","3","P 1","P 1","1","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C27 H26.5 O6.25 -","- C27 H26.5 O6.25 -","- C54 H53 O12.5 -","2","2","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0994","0.0802","","","0.2037","0.2485","","","","","","1.075","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242310","17.71","0.001","10.746","0.0006","14.6712","0.0009","90","","106.321","0.006","90","","2679.6","0.3","114.6","0.4","114.6","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0423","0.0307","","","0.0734","0.0775","","","","","","1.063","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242311","8.7592","0.0007","9.3448","0.0006","9.8941","0.0007","110.237","0.006","110.252","0.007","103.825","0.006","651.02","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C24 H16 Mn2 N12 O10 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0676","0.0696","","","","","","1.071","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242312","21.4986","0.001","7.1737","0.0003","17.4036","0.0008","90","","93.698","0.004","90","","2678.5","0.2","140","0.7","140","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0317","0.0262","","","0.0657","0.0686","","","","","","1.03","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242313","6.3079","0.0013","10.573","0.002","11.415","0.002","67.21","0.03","78.84","0.03","76.16","0.03","677.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0772","0.0606","","","0.162","0.1746","","","","","","1.058","","","","has coordinates,has disorder","265966","2021-06-05","18:12:25",""
"7242314","5.9981","0.0012","11.148","0.002","12.073","0.002","108.98","0.03","101.57","0.03","105.27","0.03","699.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N2 O3 -","- C15 H15 F N2 O3 -","- C30 H30 F2 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0733","0.0482","","","0.1073","0.1198","","","","","","1.031","","","","has coordinates,has disorder","265966","2021-06-05","18:12:26",""
"7242315","13.3082","0.0008","11.9672","0.0008","17.9425","0.0011","90","","90","","90","","2857.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 I2 N2 -","- C10 H20 I2 N2 -","- C80 H160 I16 N16 -","8","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.045","0.0314","","","0.0415","0.0437","","","","","","1.118","","","","has coordinates","263737","2021-04-05","14:37:07",""
"7242316","15.261","0.0019","9.3873","0.0012","31.291","0.004","90","","101.966","0.002","90","","4385.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 I6 N2 O -","- C10 H22 I6 N2 O -","- C80 H176 I48 N16 O8 -","8","2","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.0829","0.0579","","","0.0887","0.0947","","","","","","1.178","","","","has coordinates","263737","2021-04-05","14:37:09",""
"7242317","8.1345","0.0012","8.6866","0.0016","13.065","0.001","95.775","0.009","98.828","0.01","96.093","0.01","900.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.2991","0.052","","","0.1192","0.2235","","","","","","0.596","","","","has coordinates","263737","2021-04-05","14:37:18",""
"7242318","8.15439","0.00012","8.70472","0.00013","13.0978","0.0002","95.739","0.001","98.8219","0.0009","96.07","0.0009","907.14","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","powder diffraction","x-ray","1.54059","CuKa","","0.0259","0.0259","","0.0342","0.0342","","","","1.32","","","","","","","has coordinates","263737","2021-04-05","14:37:20",""
"7242319","16.581","0.006","9.216","0.003","25.101","0.009","90","","90.099","0.011","90","","3836","2","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,5-bis(4-((2,7-diethyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.0616","0.0464","","","0.1073","0.1203","","","","","","1.092","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242320","5.5891","0.0011","56.499","0.012","19.86","0.004","90","","91.756","0.005","90","","6268","2","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-((2,7-dioctyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C76 H92 S -","- C76 H92 S -","- C304 H368 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.1536","0.1155","","","0.3063","0.3391","","","","","","1.081","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242321","16.5329","0.0004","9.1211","0.0002","24.9977","0.0006","90","","90.694","0.001","90","","3769.33","0.15","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.0945","0.071","","","0.1836","0.2066","","","","","","1.038","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242322","5.6172","0.0004","56.654","0.004","19.3396","0.0013","90","","91.715","0.002","90","","6151.8","0.7","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 S -","- C75.608 H91.16 S -","- C302.432 H364.64 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.1874","0.1573","","","0.4883","0.5528","","","","","","1.053","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242324","16.8962","0.0013","15.3037","0.0013","19.884","0.0015","90","","100.126","0.002","90","","5061.4","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu2 Mo8 N12 O36 -","- C24 H32 Cu2 Mo8 N12 O36 -","- C96 H128 Cu8 Mo32 N48 O144 -","4","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0752","0.0393","","","0.0773","0.0897","","","","","","0.991","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242325","17.631","0.002","11.086","0.0013","21.185","0.003","90","","102.41","0.002","90","","4044","0.9","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Cu2 Mo8 N6 O35 -","- C15 H30 Cu2 Mo8 N6 O35 -","- C60 H120 Cu8 Mo32 N24 O140 -","4","1","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0325","","","0.0632","0.0719","","","","","","0.989","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242326","8.6017","0.0009","10.1464","0.0012","11.7076","0.0012","103.573","0.002","94.473","0.002","94.334","0.002","985.58","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.1325","0.0522","","","0.0893","0.1144","","","","","","0.917","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242327","8.5646","0.0004","10.2203","0.0005","12.2734","0.0006","104.382","0.001","92.503","0.001","96.492","0.001","1031.11","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0403","0.0299","","","0.0619","0.0667","","","","","","1.02","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242331","11.9399","0.0015","12.4842","0.0014","13.9049","0.0016","93.014","0.004","101.308","0.004","101.102","0.004","1985.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 Cl Dy N5 O8 -","- C35 H39 Cl Dy N5 O8 -","- C70 H78 Cl2 Dy2 N10 O16 -","2","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0742","0.0471","","","0.1021","0.11","","","","","","1.006","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242332","16.3957","0.001","9.7879","0.0006","20.6189","0.0014","90","","110.783","0.002","90","","3093.6","0.3","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Dy N6 O5 -","- C33 H31 Dy N6 O5 -","- C132 H124 Dy4 N24 O20 -","4","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0185","0.0168","","","0.0412","0.0419","","","","","","1.129","","","","has coordinates","265978","2021-06-05","18:16:29",""
"7242333","36.505","0.008","21.596","0.004","27.632","0.006","90","","129.627","0.008","90","","16778","6","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93 H75 Dy2 N5 O10 -","- C93 H75 Dy2 N5 O10 -","- C744 H600 Dy16 N40 O80 -","8","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0315","0.0236","","","0.0542","0.0567","","","","","","1.052","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242334","34.86","0.006","11.53","0.0019","14.156","0.003","90","","102.602","0.006","90","","5552.7","1.8","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H101 Al3 Mo18 N18 O107 Zn5 -","- C12 H52 Al3 Mo18 N18 O92 Zn5 -","- C24 H104 Al6 Mo36 N36 O184 Zn10 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0443","0.0369","","","0.1009","0.1055","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:51",""
"7242335","10.6722","0.0006","20.4675","0.0011","11.8026","0.0006","90","","106.806","0.001","90","","2468","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H53 Cr Mo6 N4 O40 Zn2 -","- C10 H30 Cr Mo6 N4 O40 Zn2 -","- C20 H60 Cr2 Mo12 N8 O80 Zn4 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0346","0.0301","","","0.0819","0.0836","","","","","","1.084","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242336","5.9548","0.0007","12.6735","0.0015","26.997","0.003","90","","91.812","0.002","90","","2036.4","0.4","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Cr Cu2 Mo6 N8 O24 -","- C22 H28 Cr Cu2 Mo6 N8 O24 -","- C44 H56 Cr2 Cu4 Mo12 N16 O48 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.058","0.0399","","","0.0954","0.1033","","","","","","1.015","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242337","10.5413","0.0003","18.9773","0.0006","13.4274","0.0004","90","","113.055","0.001","90","","2471.55","0.13","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H55 Cr Cu2 Mo6 N4 O49 -","- C10 H48 Cr Cu2 Mo6 N4 O49 -","- C20 H96 Cr2 Cu4 Mo12 N8 O98 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0317","0.0253","","","0.0652","0.0677","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242338","13.9321","0.0007","15.22","0.0008","16.7345","0.0009","77.324","0.001","70.349","0.001","80.349","0.001","3243.3","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H126 Cu6 Mo18 N24 O96 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","1","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0937","0.0462","","","0.1039","0.1222","","","","","","1.012","","","","has coordinates","288155","2023-12-07","17:20:22",""
"7242339","10.6306","0.0006","17.2039","0.001","14.0285","0.0008","90","","108.196","0.001","90","","2437.3","0.2","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C20 H52 Co4 Cr2 Mo12 N8 O76 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0693","0.0381","","","0.0841","0.0939","","","","","","1.022","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242343","13.642","0.002","12.843","0.002","13.658","0.002","90","","107.055","0.005","90","","2287.7","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl3 Fe N4 O2 -","- C20 H20 Cl3 Fe N4 O2 -","- C80 H80 Cl12 Fe4 N16 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0475","0.0423","","","0.1266","0.139","","","","","","1.079","","","","has coordinates","262459","2021-03-04","10:33:04",""
"7242344","12.7967","0.001","9.4429","0.0007","17.7657","0.0014","90","","108.017","0.003","90","","2041.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 Fe N6 O2 -","- C18 H17 Br2 Fe N6 O2 -","- C72 H68 Br8 Fe4 N24 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0498","0.0359","","","0.082","0.089","","","","","","1.027","","","","has coordinates","262459","2021-03-04","10:33:05",""
"7242351","12.3623","0.001","22.09","0.002","16.5066","0.0013","90","","107.211","0.002","90","","4305.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H42 N6 O13 S5 Zn3 -","- C30 H42 N6 O13 S5 Zn3 -","- C120 H168 N24 O52 S20 Zn12 -","4","1","","Siddique, Armeen; I., Mantasha; Rawat, Poonam; Singh, Ram Niwas; Shahid, M.; Trivedi, Sweta; Gautam, Anshu; Zeeshan, Mohd","A new Zn(ii) MOF assembled from metal‒organic cubes (MOCs) as a highly efficient adsorbent for cationic dyes","CrystEngComm","2021","23","11","2316","2325","10.1039/D0CE01577F","","","0.71073","MoKα","","0.0896","0.0824","","","0.2197","0.227","","","","","","1.0389","","","","has coordinates","263731","2021-04-05","14:35:32",""
"7242352","5.4511","0.0004","8.7712","0.0005","21.3404","0.0012","90","","90.438","0.004","90","","1020.31","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0525","0.0496","","","0.1507","0.1539","","","","","","1.074","","","","has coordinates","268680","2021-09-06","10:31:08",""
"7242353","5.3651","0.0003","9.6939","0.0005","42.693","0.003","90","","90","","90","","2220.4","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.067","0.0627","","","0.166","0.1686","","","","","","1.037","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242354","5.3605","0.0004","10.0888","0.0008","21.47","0.0016","90","","97.129","0.005","90","","1152.14","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0666","0.0607","","","0.1594","0.165","","","","","","1.076","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242355","7.0826","0.0002","16.1438","0.0004","20.5765","0.0005","90","","90","","90","","2352.72","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0737","0.0712","","","0.214","0.2179","","","","","","1.087","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242356","8.8941","0.0002","11.081","0.0003","25.582","0.0007","90","","93.029","0.001","90","","2517.72","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","2","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0896","0.0875","","","0.2505","0.2544","","","","","","1.044","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242357","6.6418","0.0001","15.8771","0.0003","20.7515","0.0004","90","","90","","90","","2188.3","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C23.9998 H31.9995 O2.9999 -","- C95.9992 H127.998 O11.9996 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0413","0.0405","","","0.1162","0.1174","","","","","","1.033","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242358","6.4082","0.0005","15.89","0.0013","20.4115","0.0016","90","","90","","90","","2078.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0419","0.0414","","","0.1156","0.1164","","","","","","1.044","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242359","5.6104","0.0002","9.8196","0.0004","43.1042","0.0017","90","","90","","90","","2374.69","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0461","0.0452","","","0.1146","0.1152","","","","","","1.111","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242361","10.3684","0.0005","11.7212","0.0006","13.6653","0.0007","96.048","0.004","93.197","0.005","97.803","0.005","1632.07","0.14","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Li2 N10 O4 -","- C34 H24 Li2 N10 O4 -","- C68 H48 Li4 N20 O8 -","2","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.113","0.056","","","0.1441","0.1859","","","","","","0.851","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7242362","22.0886","0.0019","8.7859","0.0004","20.308","0.001","90","","127.702","0.005","90","","3118.2","0.4","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 N5 Rb -","- C17 H8 N5 Rb -","- C136 H64 N40 Rb8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0574","0.0313","","","0.0679","0.0746","","","","","","0.832","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242363","20.608","0.0005","7.2325","0.0002","23.9944","0.0005","90","","90","","90","","3576.3","0.15","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H22 K2 N12 -","- C38 H22 K2 N12 -","- C152 H88 K8 N48 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.1611","0.0736","","","0.1604","0.198","","","","","","0.807","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242364","18.6417","0.0005","6.1755","0.0002","30.2781","0.0011","90","","116.722","0.002","90","","3113.4","0.18","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N5 Na O -","- C17 H10 N5 Na O -","- C136 H80 N40 Na8 O8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0664","0.0435","","","0.1186","0.1338","","","","","","0.929","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242365","12.1276","0.0004","7.2781","0.0002","20.5686","0.0008","90","","100.77","0.003","90","","1783.53","0.1","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cs N5 O -","- C18 H12 Cs N5 O -","- C72 H48 Cs4 N20 O4 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0584","0.0516","","","0.1311","0.1356","","","","","","0.968","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242366","20.3657","0.0015","33.018","0.003","10.0713","0.0008","90","","90","","90","","6772.3","1","423","2","423","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0805","0.044","","","0.1112","0.1261","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242367","20.1201","0.0018","32.676","0.003","10.0411","0.0008","90","","90","","90","","6601.5","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0501","0.0379","","","0.0989","0.1046","","","","","","1.004","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242368","20.087","0.003","32.633","0.005","10.0097","0.0018","90","","90","","90","","6561.3","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 D2 O6 P2 S -","- C36 H30 D2 O6 P2 S -","- C288 H240 D16 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.2133","0.0785","","","0.1566","0.2011","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242370","4.7441","0.0004","9.5883","0.0009","12.077","0.0011","73.421","0.005","89.483","0.005","86.045","0.006","525.23","0.08","296","2","296","2","","","","","","","","7","P 1","P 1","1","","Ethyl 2-[5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 1,3-thiazole-4-carboxylate","","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","1","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0499","0.0346","","","0.0713","0.0766","","","","","","1.032","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242371","23.994","0.004","5.058","0.0009","20.359","0.003","90","","90","","90","","2470.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-(5-(4-Chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy -3-methoxyphenyl)methylidene]-1,3-thiazole-4-carbohydrazide","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.1335","0.0465","","","0.0628","0.0779","","","","","","0.915","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242372","7.3329","0.0004","11.3359","0.0007","13.3196","0.0007","105.658","0.003","92.689","0.002","97.255","0.003","1053.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-{2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one","","- C22 H20 Br N3 O2 S -","- C22 H20 Br N3 O2 S -","- C44 H40 Br2 N6 O4 S2 -","2","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0809","0.0396","","","0.084","0.0982","","","","","","1.019","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242373","6.3282","0.0008","9.8266","0.0012","39.383","0.005","90","","90","","90","","2449","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru","Actuation performance of a photo-bending crystal modeled by machine learning-based regression","CrystEngComm","2021","23","34","5839","5847","10.1039/D1CE00208B","","","0.71075","MoKα","","0.1083","0.0589","","","0.131","0.1545","","","","","","1","","","","has coordinates,has disorder","295951","2024-11-15","23:13:16",""
"7242374","15.458","0.002","14.634","0.003","23.965","0.004","90","","90","","90","","5421.2","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H48 N16 O8 Zn4 -","- C50 H48 N16 O8 Zn4 -","- C200 H192 N64 O32 Zn16 -","4","0.5","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.1335","0.0803","","","0.2361","0.2794","","","","","","1.108","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242375","8.7813","0.0011","15.1028","0.0018","11.4147","0.0014","90","","99.628","0.004","90","","1492.5","0.3","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H28 N8 O4 Zn2 -","- C27 H28 N8 O4 Zn2 -","- C54 H56 N16 O8 Zn4 -","2","1","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.0725","0.0553","","","0.1337","0.147","","","","","","1.06","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242376","19.4312","0.0008","21.9435","0.0008","14.1557","0.0007","90","","92.787","0.007","90","","6028.7","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0704","0.0548","","","0.1568","0.1665","","","","","","1.071","","","","has coordinates","264895","2021-05-05","08:29:17",""
"7242377","19.2114","0.0007","21.9406","0.0009","13.9778","0.0005","90","","92.151","0.003","90","","5887.6","0.4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0534","0.0441","","","0.1199","0.1264","","","","","","1.07","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242378","19.2154","0.0004","21.7934","0.0004","13.8564","0.0004","90","","92.334","0.007","90","","5797.8","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0463","0.0399","","","0.0932","0.0961","","","","","","1.067","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242379","19.3817","0.0006","21.9198","0.0007","14.0784","0.0005","90","","92.693","0.003","90","","5974.5","0.3","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0529","0.0428","","","0.1182","0.1254","","","","","","1.066","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242380","19.12","0.005","28.411","0.005","15.383","0.004","90","","100.982","0.018","90","","8203","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Dy3 N9 O20 -","- C52 H25 Dy3 N9 O20 -","- C208 H100 Dy12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1184","0.0985","","","0.2263","0.2391","","","","","","1.283","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242381","19.173","0.003","28.476","0.003","15.403","0.002","90","","100.962","0.011","90","","8256.1","1.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 N9 O20 Tb3 -","- C52 H25 N9 O20 Tb3 -","- C208 H100 N36 O80 Tb12 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1208","0.0966","","","0.2632","0.286","","","","","","1.047","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242382","19.217","0.0013","28.514","0.002","15.3668","0.0011","90","","100.677","0.004","90","","8274.5","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Gd3 N9 O20 -","- C52 H25 Gd3 N9 O20 -","- C208 H100 Gd12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.0736","0.0532","","","0.1356","0.1438","","","","","","1.044","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242383","19.0512","0.0016","28.4046","0.0016","15.4074","0.001","90","","101.195","0.005","90","","8178.9","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Ho3 N9 O20 -","- C52 H25 Ho3 N9 O20 -","- C208 H100 Ho12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1099","0.0823","","","0.2078","0.2267","","","","","","1.039","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242396","3.9124","0.0003","15.4255","0.0012","11.8549","0.0009","90","","93.293","0.003","90","","714.27","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0714","0.0461","","","0.1137","0.1241","","","","","","1.052","","","","has coordinates","265979","2021-06-05","18:16:41",""
"7242397","11.0127","0.0013","4.6953","0.0007","23.988","0.003","90","","93.872","0.004","90","","1237.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N7 O4 -","- C8 H6 Cl N7 O4 -","- C32 H24 Cl4 N28 O16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.1559","0.0657","","","0.1433","0.1769","","","","","","1.012","","","","has coordinates,has disorder","265979","2021-06-05","18:16:53",""
"7242398","4.5803","0.0003","27.1194","0.0017","10.7559","0.0007","90","","99.38","0.002","90","","1318.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8.25 N6 O7.12 -","- C8 H8 N6 O7.125 -","- C32 H32 N24 O28.5 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0783","0.0565","","","0.1552","0.17","","","","","","1.08","","","","has coordinates","265979","2021-06-05","18:16:58",""
"7242399","3.538","0.002","12.804","0.006","13.613","0.007","64.235","0.012","83.9","0.016","82.879","0.016","550.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O13 -","- C12 H6 N14 O13 -","- C12 H6 N14 O13 -","1","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","","","0.1986","0.1553","","","0.3126","0.3309","","","","","","1.136","","","","has coordinates,has disorder","265979","2021-06-05","18:17:01",""
"7242400","10.1005","0.0002","14.618","0.0004","19.371","0.0005","90","","96.553","0.001","90","","2841.42","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 N12 O12 S2 Zn2 -","- C44 H36 N12 O12 S2 Zn2 -","- C88 H72 N24 O24 S4 Zn4 -","2","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0533","0.0414","","","0.1152","0.1196","","","","","","1.111","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242401","9.811","0.002","10.155","0.002","11.055","0.002","81.48","0.03","65.66","0.03","61.82","0.03","883.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N6 Ni O5 -","- C20 H15 N6 Ni O5 -","- C40 H30 N12 Ni2 O10 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0232","0.0222","","","0.0557","0.0563","","","","","","1.034","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242402","8.8834","0.0018","20.288","0.004","13.751","0.003","90","","94.56","0.03","90","","2470.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O7 S2 Zn -","- C25 H20 N6 O7 S2 Zn -","- C100 H80 N24 O28 S8 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0375","0.0295","","","0.0747","0.0799","","","","","","1.042","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242403","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H122 N30 O54 S4.984 Zn5 -","- C936 H976 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0732","0.0566","","","0.1548","0.1692","","","","","","1.043","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242404","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H112 N30 O54 S4.984 Zn5 -","- C936 H896 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0725","0.0559","","","0.1533","0.168","","","","","","1.021","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242409","22.1444","0.0018","14.5741","0.0011","28.23","0.002","90","","102.549","0.002","90","","8893.1","1.2","175","2","175","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Ce Cu2 N8 O62 P W11 -","- C40 H32 Ce Cu2 N8 O51 P W11 -","- C160 H128 Ce4 Cu8 N32 O204 P4 W44 -","4","1","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0678","0.0469","","","0.1096","0.1205","","","","","","1.098","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242410","36.912","0.004","19.18","0.002","22.158","0.003","90","","90","","90","","15687","3","175","2","175","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C60 H120 Cu2 N12 Nd2 O112 P2 W22 -","- C60 H48 Cu2 N12 Nd2 O92 P2 W22 -","- C240 H192 Cu8 N48 Nd8 O368 P8 W88 -","4","0.5","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0593","0.04","","","0.094","0.1027","","","","","","1.034","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242411","26.331","0.003","7.176","0.0007","13.4905","0.0014","90","","119.392","0.006","90","","2220.9","0.4","151","","151","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.36 H1.64 N0.36 O0.55 -","- C2.36364 H1.63636 N0.363636 O0.545455 -","- C104 H72 N16 O24 -","44","5.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.0367","0.0324","","","0.0817","0.0862","","","","","","1.051","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242412","4.574","0.0005","10.4956","0.0012","22.772","0.002","90","","93.33","0.004","90","","1091.4","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O6 -","- C26 H18 N4 O6 -","- C52 H36 N8 O12 -","2","0.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.1312","0.1045","","","0.2135","0.2241","","","","","","1.23","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242413","10.4889","0.0006","11.1126","0.0007","13.9538","0.0008","99.969","0.002","111.335","0.002","90.59","0.002","1487.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","1","0.5","","Wu, Jing-Yun; Hu, Zhi-Jia; Sung, Hui-Ling","A water-stable molecular cadmium phosphonate bearing 2-(2-pyridyl)benzimidazole as a highly sensitive luminescence sensor for the selective detection of bisphenol AF and bisphenol B","CrystEngComm","2021","23","15","2842","2853","10.1039/D0CE01740J","","","0.71073","MoKα","","0.0874","0.051","","","0.1086","0.1338","","","","","","1.084","","","","has coordinates","265981","2021-06-05","18:17:27",""
"7242415","14.353","0.0013","30.106","0.003","26.328","0.002","90","","90","","90","","11376.6","1.8","298","2","298.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H18 Cl3 Cu3 N10 -","- C22 H18 Cl3 Cu3 N10 -","- C352 H288 Cl48 Cu48 N160 -","16","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A novel copper(i) metal‒organic framework as a highly efficient and ultrasensitive electrochemical platform for detection of Hg(ii) ions in aqueous solution","CrystEngComm","2021","23","16","3043","3051","10.1039/D1CE00197C","","","0.71073","MoKα","","0.1469","0.0809","","","0.2076","0.2339","","","","","","0.828","","","","has coordinates,has disorder","265959","2021-06-05","18:11:26",""
"7242428","7.9854","0.0003","9.1752","0.0003","10.0446","0.0004","109.095","0.003","93.499","0.003","114.294","0.003","617.3","0.05","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0238","0.0225","","","0.0535","0.0547","","","","","","1.002","","","","has coordinates,has disorder","265970","2021-06-05","18:13:11",""
"7242429","9.4079","0.0002","10.1883","0.0003","23.8729","0.0006","91.19","0.002","93.989","0.002","111.582","0.002","2120","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0543","0.0478","","","0.1102","0.1162","","","","","","1","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242430","7.61976","0.00012","7.9651","0.00013","10.3658","0.0002","80.7473","0.0015","85.5354","0.0015","87.3833","0.0013","618.702","0.019","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0615","0.0631","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242431","8.1888","0.0001","15.3535","0.0003","18.004","0.0004","111.855","0.002","100.356","0.002","91.24","0.001","2056.93","0.07","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C54 H60 Cl4 Fe2 Mn4 N40 O2 S8 -","2","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0605","0.042","","","0.1134","0.1179","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242432","10.20025","0.00011","29.0606","0.0003","17.5583","0.0002","90","","106.475","0.0012","90","","4991.05","0.1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C132 H144 Fe8 Mn8 N104 O16 S16 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0335","0.0273","","","0.0674","0.0703","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242433","10.98926","0.00013","15.42554","0.00014","16.6133","0.0002","90","","108.952","0.0013","90","","2663.54","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Fe Mn N13 O2 S2 -","- C18 H21 Fe Mn N13 O2 S2 -","- C72 H84 Fe4 Mn4 N52 O8 S8 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0256","0.0219","","","0.0541","0.0562","","","","","","1.003","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242434","10.9869","0.0003","12.0485","0.0004","13.7559","0.0005","115.833","0.004","91.587","0.003","100.906","0.003","1596.83","0.11","106","","106","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0572","0.0356","","","0.0703","0.0757","","","","","","0.994","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242435","11.0467","0.0003","12.0603","0.0003","13.7505","0.0004","64.635","0.003","79.967","0.002","78.865","0.002","1615.5","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0375","","","0.0851","0.0918","","","","","","1.073","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242436","11.0537","0.0003","12.0557","0.0003","13.7262","0.0004","64.89","0.003","80.331","0.002","78.815","0.002","1617.26","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0724","0.0391","","","0.0818","0.0903","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242437","11.0165","0.0003","12.0569","0.0004","13.7786","0.0004","64.116","0.003","79.239","0.003","78.965","0.002","1605.03","0.09","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0574","0.0337","","","0.0706","0.0762","","","","","","1.032","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242438","10.981","0.0003","12.0448","0.0003","13.7409","0.0004","115.825","0.003","91.535","0.002","100.927","0.002","1593.91","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0508","0.0315","","","0.0677","0.0726","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242439","11.0864","0.0003","12.0734","0.0003","13.7103","0.0004","65.253","0.003","80.773","0.003","78.66","0.002","1627.78","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.0001 N Ni O6 S10 -","- C40 H62 Br2.0002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0713","0.0377","","","0.0875","0.0967","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242440","11.1022","0.0004","12.0838","0.0004","13.7055","0.0005","65.348","0.003","80.897","0.003","78.557","0.003","1632","0.11","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Br N Ni O6 S10 -","- C20 H30 Br N Ni O6 S10 -","- C40 H60 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0828","0.0413","","","0.0922","0.1026","","","","","","1.02","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242441","11.1201","0.0005","12.1021","0.0005","13.7058","0.0007","65.393","0.005","80.958","0.004","78.454","0.004","1637.39","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0881","0.0431","","","0.0958","0.1082","","","","","","1.031","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242442","11.0117","0.0003","12.0652","0.0003","13.7791","0.0004","115.895","0.003","91.351","0.002","101.004","0.002","1604.69","0.09","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0537","0.0325","","","0.0677","0.0728","","","","","","1.026","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242443","11.0374","0.0003","12.0627","0.0003","13.7656","0.0004","64.349","0.003","79.574","0.002","78.92","0.002","1611.41","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0558","0.0333","","","0.069","0.0746","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242444","11.076","0.0003","12.0662","0.0003","13.7164","0.0005","65.106","0.003","80.573","0.003","78.719","0.002","1623.84","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0766","0.0405","","","0.0923","0.1033","","","","","","1.019","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242445","11.2167","0.0004","12.1808","0.0004","13.7373","0.0005","65.696","0.003","81.308","0.003","78.012","0.003","1668.72","0.11","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1032","0.047","","","0.1118","0.1318","","","","","","1.008","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242446","11.211","0.0004","12.1703","0.0004","13.7456","0.0005","65.635","0.003","81.252","0.003","78.145","0.003","1667.21","0.11","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1044","0.0522","","","0.1284","0.151","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242447","11.2193","0.0003","12.3191","0.0002","12.7473","0.0003","92.239","0.002","111.956","0.002","96.066","0.002","1618.98","0.07","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0501","0.0446","","","0.1268","0.1323","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242448","11.2216","0.0003","12.3162","0.0003","12.7541","0.0003","92.155","0.002","111.864","0.002","96.1","0.002","1620.96","0.07","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0476","0.0419","","","0.1168","0.1216","","","","","","1.056","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242449","11.2637","0.0002","12.342","0.0001","12.8337","0.0002","91.372","0.001","110.996","0.001","96.45","0.001","1651.13","0.04","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0327","0.031","","","0.0815","0.0831","","","","","","1.034","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242450","11.2714","0.0001","12.3406","0.0001","12.8452","0.0001","91.241","0.001","110.823","0.001","96.452","0.001","1655.78","0.03","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0337","0.0319","","","0.084","0.0854","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242451","11.2107","0.0003","12.315","0.0002","12.7451","0.0003","92.2792","0.0018","112.126","0.002","96.0601","0.0018","1614.84","0.07","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0608","0.0495","","","0.1395","0.1478","","","","","","1.098","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242452","11.3244","0.0005","12.3495","0.0004","12.9385","0.0006","90.918","0.003","110.128","0.004","96.018","0.003","1686.95","0.13","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0976","0.0559","","","0.1553","0.191","","","","","","0.916","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242453","11.1865","0.0005","12.1459","0.0005","13.7395","0.0006","65.63","0.004","81.204","0.004","78.269","0.004","1659.95","0.14","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0879","0.045","","","0.1086","0.1248","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242454","11.3149","0.0003","12.3589","0.0003","12.909","0.0003","90.9686","0.0019","110.34","0.002","96.269","0.002","1679.59","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.115","0.1287","","","","","","0.996","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242455","11.2452","0.0002","12.3442","0.0002","12.8113","0.0002","91.832","0.001","111.431","0.001","96.243","0.001","1640.65","0.05","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0367","0.0354","","","0.0998","0.1011","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242456","11.3571","0.0002","12.3603","0.0002","12.9511","0.0003","90.864","0.002","109.988","0.002","95.958","0.002","1696.81","0.06","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0398","","","0.1234","0.1397","","","","","","0.975","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242457","11.2803","0.0003","12.3375","0.0002","12.8611","0.0003","91.103","0.002","110.634","0.002","96.375","0.002","1661.43","0.07","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.1292","0.1449","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242458","11.2185","0.0003","12.3084","0.0003","12.7536","0.0003","92.083","0.002","111.733","0.002","96.128","0.002","1621.02","0.07","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0546","0.0438","","","0.1218","0.1293","","","","","","1.068","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242459","11.3046","0.0005","12.3319","0.0004","12.9008","0.0006","90.991","0.003","110.208","0.004","96.173","0.003","1675.11","0.13","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0751","0.0516","","","0.142","0.1641","","","","","","0.986","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242460","11.1694","0.0004","12.1413","0.0004","13.7408","0.0006","65.543","0.004","81.123","0.003","78.362","0.003","1656.09","0.12","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0783","0.0416","","","0.0958","0.1076","","","","","","1.049","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242461","11.2784","0.0001","12.346","0.0001","12.8619","0.0001","91.145","0.001","110.678","0.001","96.422","0.001","1661.63","0.03","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.029","0.0271","","","0.0763","0.0776","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242462","11.2892","0.0003","12.3438","0.0003","12.8805","0.0003","91.047","0.002","110.467","0.002","96.326","0.002","1668.26","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0528","0.0366","","","0.1064","0.1176","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242463","11.25474","0.00018","12.34881","0.00018","12.82304","0.00017","91.7415","0.0011","111.291","0.0014","96.3016","0.0012","1645.75","0.05","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0445","0.0347","","","0.091","0.0965","","","","","","1.084","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242464","11.1765","0.0004","12.2812","0.0003","12.6527","0.0004","87.364","0.002","68.465","0.003","80.094","0.002","1591.12","0.09","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0427","0.0357","","","0.0936","0.0981","","","","","","1.05","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242465","10.4363","0.0003","12.637","0.0004","12.9511","0.0004","70.974","0.003","79.852","0.002","80.316","0.002","1578.17","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0466","0.0336","","","0.0838","0.0897","","","","","","1.05","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242466","10.4067","0.0003","12.6314","0.0005","12.9479","0.0004","70.517","0.003","79.892","0.002","80.138","0.003","1567.96","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19.98 H31 F0.98 N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0461","0.0348","","","0.086","0.0915","","","","","","1.067","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242467","10.4883","0.0002","12.6467","0.0003","12.9675","0.0003","71.543","0.002","79.792","0.002","80.656","0.002","1595.3","0.06","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0357","","","0.1154","0.1327","","","","","","0.87","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242468","10.3645","0.0003","12.6254","0.0005","12.9123","0.0004","69.835","0.003","79.972","0.003","79.948","0.003","1549.82","0.1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0419","0.0329","","","0.1016","0.1117","","","","","","0.782","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242469","10.3864","0.0002","12.6343","0.0005","12.9338","0.0005","69.944","0.003","79.973","0.003","79.97","0.003","1557.9","0.1","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.0807","0.0857","","","","","","1.055","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242470","10.5115","0.0003","12.6531","0.0004","12.9821","0.0003","71.701","0.002","79.787","0.002","80.782","0.002","1603.24","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0525","0.0336","","","0.0801","0.0867","","","","","","1.055","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242471","10.3994","0.0003","12.6286","0.0005","12.9431","0.0004","70.317","0.003","79.956","0.002","80.078","0.003","1564.1","0.1","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0425","0.0333","","","0.0832","0.0879","","","","","","1.072","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242472","10.3884","0.0003","12.6271","0.0004","12.9344","0.0004","70.113","0.003","79.966","0.002","80.068","0.002","1559.3","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0504","0.0383","","","0.0902","0.0961","","","","","","1.011","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242473","10.4754","0.0003","12.6503","0.0004","12.9637","0.0004","71.385","0.003","79.802","0.002","80.55","0.002","1591.61","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0509","0.0343","","","0.081","0.0872","","","","","","1.047","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242474","10.4204","0.0003","12.6319","0.0004","12.9511","0.0004","70.735","0.003","79.898","0.002","80.25","0.002","1572.9","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.057","0.0414","","","0.1011","0.1094","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242475","10.452","0.0003","12.6374","0.0004","12.9527","0.0004","71.178","0.003","79.806","0.002","80.408","0.002","1582.77","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0485","0.0335","","","0.0804","0.0864","","","","","","1.044","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242476","11.2486","0.0006","12.354","0.0008","12.7375","0.0008","87.498","0.005","69.343","0.006","80.758","0.005","1634.61","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","","0.71073","MoKα","","0.0535","0.0365","","","0.0945","0.102","","","","","","1.051","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242477","10.5742","0.0007","12.6426","0.0007","13.0305","0.0011","72.446","0.006","79.808","0.006","81.42","0.005","1626.1","0.2","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0887","0.0514","","","0.1505","0.177","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242478","10.5377","0.0003","12.6697","0.0003","13.0079","0.0004","71.903","0.002","79.822","0.002","80.956","0.002","1615.05","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0532","0.0354","","","0.0855","0.0938","","","","","","1.042","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242479","10.5475","0.0003","12.6632","0.0003","13.0124","0.0004","72.091","0.003","79.842","0.003","81.154","0.002","1618.65","0.08","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0578","0.0383","","","0.0986","0.1077","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242480","10.5673","0.0004","12.6724","0.0004","13.0358","0.0006","72.219","0.004","79.801","0.004","81.293","0.003","1627.17","0.12","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.071","0.0459","","","0.1373","0.1559","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242481","6.8191","0.0003","6.8191","0.0003","12.7035","0.0011","90","","90","","120","","511.57","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","1","0.166667","","Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi","Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization","CrystEngComm","2021","23","16","2945","2951","10.1039/D1CE00226K","","","0.71073","MoKα","","0.017","0.0157","","","0.0385","0.0389","","","","","","1.061","","","","has coordinates","265960","2021-06-05","18:11:32",""
"7242491","21.893","0.008","9.298","0.004","11.082","0.004","90.07","0.005","92.648","0.005","92.006","0.006","2252.1","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.0861","0.0542","","","0.1157","0.1278","","","","","","1.033","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242492","21.229","0.003","9.6695","0.0009","11.1075","0.001","90","","91.327","0.004","90","","2279.5","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","1","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.054","0.0432","","","0.1075","0.1159","","","","","","1.027","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242493","21.833","0.019","9.359","0.007","11.086","0.009","90.328","0.017","92.39","0.02","91.79","0.02","2262","3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.1762","0.1363","","","0.3543","0.3834","","","","","","0.965","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242494","9.2129","0.0009","9.9156","0.001","17.7795","0.0018","80.589","0.003","77.092","0.003","64.355","0.003","1423.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N11 O5 S2 Zn2 -","- C18 H31 N11 O5 S2 Zn2 -","- C36 H62 N22 O10 S4 Zn4 -","2","1","","Mondal, Ipsita; Frontera, Antonio; Chattopadhyay, Shouvik","On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand","CrystEngComm","2021","23","18","3391","3397","10.1039/D0CE01864C","","","0.71073","MoKα","","0.0322","0.028","","","0.0718","0.0751","","","","","","1.05","","","","has coordinates,has disorder","265984","2021-06-05","18:18:31",""
"7242495","12.6045","0.0005","27.3658","0.001","20.1424","0.0007","90","","91.799","0.001","90","","6944.3","0.4","120","2","119.98","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C212 H300 B16 Cu8 F16 Fe4 N64 O30 S12 W4 -","2","0.5","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.0761","0.0547","","","0.1447","0.1599","","","","","","1.117","","","","has coordinates,has disorder","265947","2021-06-05","18:08:32",""
"7242496","22.8904","0.0007","22.8904","0.0007","27.7745","0.0009","90","","90","","120","","12603.3","0.7","150","2","150.02","","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C228 H280 B16 Cu12 Fe6 N72 O52 S16 W4 -","2","0.166667","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.1048","0.0689","","","0.2023","0.2535","","","","","","1.172","","","","has coordinates,has disorder","265947","2021-06-05","18:08:41",""
"7242497","22.3221","0.0006","11.774","0.0003","16.2459","0.0004","90","","90.15","0.001","90","","4269.74","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N4 Na O10 -","- C46 H44 Dy N4 Na O10 -","- C184 H176 Dy4 N16 Na4 O40 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0964","0.0471","","","0.0881","0.1019","","","","","","1.085","","","","has coordinates","265940","2021-06-05","18:07:15",""
"7242498","10.9971","0.0004","29.7015","0.001","14.676","0.0004","90","","111.441","0.001","90","","4461.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N5 Na2 O13 -","- C46 H44 Dy N5 Na2 O13 -","- C184 H176 Dy4 N20 Na8 O52 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0553","0.0349","","","0.0712","0.0765","","","","","","1.024","","","","has coordinates","265940","2021-06-05","18:07:16",""
"7242505","9.533","0.0003","9.6406","0.0003","11.2374","0.0004","73.591","0.003","89.342","0.003","70.111","0.003","927.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mn N2 O8 -","- C18 H18 Mn N2 O8 -","- C36 H36 Mn2 N4 O16 -","2","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0429","0.0422","","","0.1181","0.1188","","","","","","1.052","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242506","20.5062","0.0003","6.4692","0.0001","27.8762","0.0003","90","","95.957","0.001","90","","3678.05","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cd2 Cl2 N4 O9 -","- C36 H23 Cd2 Cl2 N4 O9 -","- C144 H92 Cd8 Cl8 N16 O36 -","4","0.5","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0446","0.0431","","","0.1295","0.1311","","","","","","1.065","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242507","6.3178","0.0002","19.3847","0.0008","27.9152","0.0011","90","","90","","90","","3418.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0889","0.0627","","","0.1516","0.171","","","","","","1.109","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242508","18.542","0.004","14.847","0.003","27.876","0.006","90","","90","","90","","7674","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 N4 Ni2 O12 -","- C36 H28 N4 Ni2 O12 -","- C288 H224 N32 Ni16 O96 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0512","0.0491","","","0.1611","0.1641","","","","","","1.021","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242509","5.7323","0.0003","9.019","0.0005","17.3597","0.001","90","","90","","90","","897.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0304","0.0283","","","0.0707","0.0717","","","","","","1.051","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242510","5.4954","0.0004","8.4298","0.0005","9.3517","0.0006","90","","90","","90","","433.22","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.059","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242511","5.759","0.003","5.772","0.003","12.492","0.007","90","","90","","90","","415.2","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0614","0.0493","","","0.1184","0.1226","","","","","","1.063","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242515","45.506","0.009","9.888","0.002","8.1578","0.0016","90","","93.89","0.03","90","","3662.3","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 Fe2 Mn N0 O7 -","- C34 H30 Cl2 Fe2 Mn O7 -","- C136 H120 Cl8 Fe8 Mn4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0803","0.0733","","","0.194","0.2014","","","","","","1.287","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242516","42.625","0.008","10.241","0.002","8.9462","0.0018","90","","94.72","0.03","90","","3892","1.3","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C184 H128 Cl8 Fe8 Mn4 N8 O16 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.113","0.0532","","","0.081","0.103","","","","","","1.016","","","","has coordinates,has disorder","265945","2021-06-05","18:08:01",""
"7242517","45.368","0.009","9.959","0.002","8.0659","0.0016","90","","94.54","0.03","90","","3632.9","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl2 Fe2 N0 Ni O7 -","- C34 H26 Cl2 Fe2 Ni O7 -","- C136 H104 Cl8 Fe8 Ni4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.094","0.0697","","","0.1776","0.1999","","","","","","0.934","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242518","10.381","0.002","11.074","0.002","13.337","0.003","96.62","0.03","95.19","0.03","92.49","0.03","1514.5","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0659","0.0472","","","0.0812","0.089","","","","","","1.079","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242519","45.267","0.009","9.929","0.002","8.0513","0.0016","90","","94.33","0.03","90","","3608.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 Co Fe2 N0 O7 -","- C34 H24 Cl2 Co Fe2 O7 -","- C136 H96 Cl8 Co4 Fe8 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0714","0.0664","","","0.1662","0.1727","","","","","","1.003","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242520","10.349","0.002","11.287","0.002","13.426","0.003","96.99","0.03","94.89","0.03","92.12","0.03","1549.2","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.073","0.061","","","0.1628","0.1758","","","","","","0.895","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242521","9.33","0.002","10.12","0.003","12.688","0.003","101.561","0.008","90.354","0.01","98.996","0.008","1158.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0223","0.0202","","","0.0521","0.0533","","","","","","1.064","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242522","9.353","0.006","10.076","0.006","12.911","0.008","97.09","0.02","96.377","0.019","100.882","0.016","1174.4","1.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0393","0.0315","","","0.0626","0.0649","","","","","","1.121","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242523","9.6073","0.0002","10.1391","0.0003","11.8289","0.0003","98.77","0.002","112.985","0.002","106.117","0.002","973.74","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cp-1","1","","- C21 H19 N3 O6 Zn -","- C21 H19 N3 O6 Zn -","- C42 H38 N6 O12 Zn2 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0305","0.0301","","","0.0789","0.0792","","","","","","1.068","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242524","9.5717","0.0005","10.0806","0.0004","11.8057","0.0006","99.281","0.004","112.617","0.005","105.83","0.004","965.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Co N3 O6 -","- C21 H19 Co N3 O6 -","- C42 H38 Co2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0651","0.062","","","0.1693","0.1713","","","","","","1.063","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242525","9.5406","0.0003","10.0775","0.0003","11.9021","0.0004","100.467","0.003","112.109","0.003","104.281","0.003","978.23","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Mn N3 O6 -","- C21 H19 Mn N3 O6 -","- C42 H38 Mn2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0354","0.0345","","","0.0965","0.0971","","","","","","1.156","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242537","5.6819","0.0005","7.7529","0.0007","14.9654","0.0012","93.713","0.003","97.789","0.003","95.423","0.003","648.22","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F O2 -","- C16 H12 F2 O -","- C32 H24 F4 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1175","0.056","","","0.1084","0.1353","","","","","","1.021","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242538","12.4423","0.0004","24.3784","0.0008","8.8538","0.0003","90","","114.025","0.001","90","","2452.91","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Cl2 F0.25 O6 -","- C30 H18 Cl2 F4 O2 -","- C120 H72 Cl8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0326","0.0294","","","0.0702","0.0726","","","","","","1.049","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242539","13.6767","0.0005","8.6874","0.0003","11.331","0.0004","90","","107.084","0.001","90","","1286.89","0.08","116","2","116.06","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H22 F6 O2 -","- C32 H22 F6 O2 -","- C64 H44 F12 O4 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0559","0.0542","","","0.1156","0.1162","","","","","","1.271","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242540","13.9052","0.0011","3.7985","0.0003","23.3553","0.0018","90","","105.147","0.005","90","","1190.74","0.16","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1904","0.1028","","","0.1856","0.2145","","","","","","1.211","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242541","9.0972","0.0009","11.7453","0.0013","13.5987","0.0015","115.013","0.004","92.409","0.004","91.562","0.004","1313.9","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O4 -","- C32 H24 F4 O4 -","- C64 H48 F8 O8 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0832","0.0466","","","0.0996","0.1199","","","","","","1.013","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242542","4.0121","0.0003","23.1292","0.0019","13.5026","0.0013","90","","96.284","0.003","90","","1245.47","0.18","298","2","297.89","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C60 H40 Br4 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1323","0.0773","","","0.1985","0.2314","","","","","","1.12","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242543","5.9906","0.0011","26.824","0.006","8.121","0.0018","90","","100.511","0.005","90","","1283.1","0.5","144","2","144.53","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O2 -","- C32 H24 F4 O2 -","- C64 H48 F8 O4 -","2","0.5","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1433","0.0848","","","0.2171","0.27","","","","","","1.002","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242544","10.5214","0.0004","3.9362","0.0001","30.9616","0.0012","90","","91.344","0.002","90","","1281.9","0.08","298","2","297.89","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 -","- C16 H12 F2 O2 -","- C64 H48 F8 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0705","0.0476","","","0.1127","0.1277","","","","","","1.04","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242545","5.5139","0.0004","7.8716","0.0007","15.1925","0.0012","94.221","0.004","95.914","0.003","93.999","0.004","652.12","0.09","196","2","196.4","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C32 H22 F6 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0835","0.0456","","","0.1124","0.1361","","","","","","1.039","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242546","25.053","0.003","5.7339","0.0008","8.0226","0.001","90","","95.745","0.005","90","","1146.7","0.3","100","2","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0632","0.0425","","","0.0787","0.0856","","","","","","1.051","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242547","25.2955","0.0018","11.9432","0.0009","34.778","0.002","90","","90","","90","","10506.8","1.2","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 Br2 F2 O2 -","- C30 H20 Br2 F2 O2 -","- C480 H320 Br32 F32 O32 -","16","2","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0523","0.0336","","","0.068","0.0741","","","","","","1.016","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242548","5.8739","0.0007","7.4217","0.0009","14.0384","0.0018","90.767","0.005","97.082","0.004","92.597","0.004","606.59","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C30 H20 Br2 F2 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.033","0.0317","","","0.0876","0.0886","","","","","","1.06","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242549","12.606","0.005","24.432","0.01","9.056","0.003","90","","114.764","0.011","90","","2532.7","1.7","100","2","99.98","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Br2 F4 O2 -","- C30 H18 Br2 F4 O2 -","- C120 H72 Br8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1053","0.0456","","","0.0777","0.0908","","","","","","0.952","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242552","4.0612","0.0005","25.692","0.004","8.6053","0.0011","90","","93.36","0.004","90","","896.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 N4 O4 -","- C24 H12 N4 O4 -","- C48 H24 N8 O8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.0872","0.0483","","","0.1084","0.1243","","","","","","1.027","","","","has coordinates","265983","2021-06-05","18:18:22",""
"7242553","13.339","0.005","5.493","0.002","25.88","0.008","90","","116.314","0.017","90","","1699.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C64 H72 N8 O16 S8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2195","0.0712","","","0.1352","0.1765","","","","","","0.992","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242554","5.4179","0.0005","20.3687","0.0017","12.2934","0.001","90","","100.926","0.003","90","","1332.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2102","0.108","","","0.2597","0.3167","","","","","","1.037","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242555","5.3112","0.0014","23.855","0.007","11.619","0.003","90","","99.885","0.008","90","","1450.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 O6 -","- C34 H30 N6 O6 -","- C68 H60 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.1801","0.0691","","","0.1169","0.1478","","","","","","1.007","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242556","10.1841","0.0003","9.5035","0.0004","21.6676","0.0011","90","","91.787","0.004","90","","2096.07","0.15","288.63","0.1","288.63","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H18 Cd N2 O5.5 -","- C22 H16 Cd N2 O5.5 -","- C88 H64 Cd4 N8 O22 -","4","1","","Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming","Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission","CrystEngComm","2021","23","17","3094","3098","10.1039/D1CE00303H","","x-ray","0.71073","MoKα","","0.076","0.0601","","","0.1801","0.1916","","","","","","1.063","","","","has coordinates,has disorder","265944","2021-06-05","18:07:49",""
"7242557","8.2434","0.0004","13.7798","0.0007","16.7261","0.0008","90","","96.059","0.003","90","","1889.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cl2 N14 Ni2 O8 -","- C28 H48 Cl2 N14 Ni2 O8 -","- C56 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0789","0.0452","","","0.0912","0.1054","","","","","","1.015","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242558","8.179","0.0006","27.2301","0.0018","9.5177","0.0007","90","","100.369","0.003","90","","2085.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl2 N14 Ni2 O8 -","- C32 H48 Cl2 N14 Ni2 O8 -","- C64 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.058","0.0368","","","0.0746","0.0824","","","","","","1.059","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242559","8.3729","0.0009","13.604","0.0014","16.8216","0.0019","90","","94.39","0.004","90","","1910.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N10 Ni2 O10 -","- C30 H48 Cl2 N10 Ni2 O10 -","- C60 H96 Cl4 N20 Ni4 O20 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.093","0.0501","","","0.1035","0.1184","","","","","","1.026","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242560","26.3729","0.0018","43.882","0.004","20.6839","0.0016","90","","90","","90","","23937","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H52 Cl2 N14 Ni2 O8 -","- C30 H52 Cl2 N14 Ni2 O8 -","- C720 H1248 Cl48 N336 Ni48 O192 -","24","1.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.1392","0.0974","","","0.2417","0.2737","","","","","","1.027","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242561","15.0146","0.0011","15.3326","0.001","18.7906","0.0014","106.124","0.002","106.924","0.002","91.258","0.002","3950.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H115 N25 Ni4 O8 -","- C70 H115 N25 Ni4 O8 -","- C140 H230 N50 Ni8 O16 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.05","0.0323","","","0.0733","0.0811","","","","","","1.026","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242562","15.0212","0.0011","15.3518","0.0012","18.7416","0.0014","106.273","0.003","106.932","0.003","91.228","0.003","3943.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H115 N17 Ni4 O12 -","- C74 H115 N17 Ni4 O12 -","- C148 H230 N34 Ni8 O24 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0464","0.0323","","","0.0695","0.0756","","","","","","1.019","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242563","15.6255","0.001","6.0517","0.0004","47.672","0.004","90","","90","","90","","4507.9","0.6","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","TBOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C232 H192 N32 -","8","2","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","","1.54178","CuKα","","0.0754","0.0637","","","0.173","0.192","","","","","","1.022","","","","has coordinates","264894","2021-05-05","08:28:35",""
"7242564","19.462","0.002","5.2101","0.0004","26.144","0.003","90","","105.318","0.011","90","","2556.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TBMP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","0.5","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0835","0.0625","","","0.1699","0.1843","","","","","","1.036","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242565","9.4388","0.0006","9.4605","0.0005","12.5876","0.0008","94.094","0.005","103.85","0.005","105.273","0.005","1041.89","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","PHZMP","2,8-bis((E)-2-(pyridin-3-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C56 H48 N8 -","2","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0828","0.0625","","","0.1599","0.1832","","","","","","1.033","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242566","4.8535","0.0006","37.442","0.005","11.8808","0.001","90","","101.043","0.01","90","","2119.1","0.4","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","PHZOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","1.54184","CuKα","","0.0812","0.0719","","","0.1877","0.204","","","","","","1.021","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242567","10.159","0.0008","11.0042","0.0006","11.2516","0.001","74.652","0.006","66.351","0.008","79.654","0.005","1107.27","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C52 H28 Cd4 N4 O16 -","2","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.0545","0.0456","","","0.1148","0.1201","","","","","","1.07","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242568","7.6065","0.0001","13.9939","0.0003","20.8616","0.0004","90","","91.09","0.002","90","","2220.2","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 -","- C16 H14 Cd2 O12 -","- C64 H56 Cd8 O48 -","4","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.037","0.0307","","","0.0787","0.0811","","","","","","1.068","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242569","21.2513","0.0007","15.2436","0.0005","24.1678","0.0008","90","","106.388","0.001","90","","7511","0.4","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N8 O48 W12 Zn2 -","- C40 H52 N8 O48 W12 Zn2 -","- C160 H208 N32 O192 W48 Zn8 -","4","0.5","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.0299","0.0293","","","0.0695","0.0698","","","","","","1.267","","","","has coordinates,has disorder","268666","2021-09-06","10:27:56",""
"7242570","14.296","0.006","15.241","0.006","16.158","0.007","90","","99.738","0.014","90","","3470","3","273.15","","273.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C36 H25 Cu N12 O42 W12 Zn -","- C36 H32 Cu N12 O42 W12 Zn -","- C72 H64 Cu2 N24 O84 W24 Zn2 -","2","1","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.041","0.0366","","","0.0815","0.0844","","","","","","1.038","","","","has coordinates","268666","2021-09-06","10:27:56",""
"7242574","17.1647","0.0006","17.1647","0.0006","23.1194","0.0011","90","","90","","90","","6811.6","0.5","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C312 H240 N96 O24 -","24","6","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0692","0.0545","","","0.1257","0.1386","","","","","","1.048","","","","has coordinates","265942","2021-06-05","18:07:34",""
"7242575","3.8425","0.0001","21.4042","0.0008","15.2608","0.0006","90","","96.8753","0.0012","90","","1246.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0457","0.0387","","","0.1024","0.1082","","","","","","1.06","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242576","22.1904","0.0017","4.7324","0.0004","27.12","0.002","90","","109.172","0.005","90","","2690","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0506","0.0381","","","0.0891","0.0971","","","","","","1.071","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242577","11.5655","0.001","3.9863","0.0004","28.977","0.003","90","","100.713","0.002","90","","1312.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0757","0.0477","","","0.1119","0.1285","","","","","","1.029","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242578","3.8994","0.0002","21.1784","0.0011","8.9913","0.0005","90","","102.301","0.0017","90","","725.48","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C30 H26 N10 O10 -","2","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0437","0.041","","","0.0888","0.0913","","","","","","1.073","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242579","7.4264","0.0004","26.8268","0.0016","5.6645","0.0003","90","","90","","90","","1128.52","0.11","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H9 F N4 O -","- C13 H9 F N4 O -","- C52 H36 F4 N16 O4 -","4","0.5","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","1.54178","CuKα","","0.0351","0.0325","","","0.0771","0.0799","","","","","","1.109","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242580","28.9051","0.0018","3.9102","0.0002","11.6155","0.0007","90","","108.226","0.003","90","","1246.97","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.71073","MoKα","","0.0301","0.0286","","","0.0739","0.0755","","","","","","1.054","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242581","8.5565","0.0011","10.5456","0.0016","17.147","0.002","96.105","0.004","99.219","0.004","94.937","0.004","1510.2","0.3","170","2","170.02","","","","","","","","","5","P 1","P 1","1","remdesivir","","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","2","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","x-ray","1.34139","GaKα","","0.2598","0.1215","","","0.2953","0.3938","","","","","","0.996","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242582","10.5286","0.0017","12.809","0.002","11.1106","0.0019","90","","100.022","0.005","90","","1475.5","0.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","Remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","","0.71073","MoKα","","0.0622","0.0576","","","0.1508","0.1554","","","","","","1.074","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242583","7.7605","0.0002","7.3336","0.0001","8.9393","0.0002","90","","115.115","0.003","90","","460.66","0.02","293","2","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(1.5H2O)","","- Ca H3 Ni2 O10.5 Se3 -","- Ca H3 Ni2 O10.5 Se3 -","- Ca2 H6 Ni4 O21 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0645","0.0652","","","","","","1.098","","","","has coordinates,has disorder","265938","2021-06-05","18:06:52",""
"7242584","7.8568","0.0004","7.3734","0.0003","8.9697","0.0006","90","","114.275","0.007","90","","473.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(2H2O)","","- Ca H4 Ni2 O11 Se3 -","- Ca H3.999 Ni2 O10.999 Se3 -","- Ca2 H7.998 Ni4 O21.998 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0531","0.0358","","","0.0652","0.0701","","","","","","1.033","","","","has coordinates,has disorder","265938","2021-06-05","18:06:53",""
"7242585","7.3759","0.0003","10.9715","0.0005","10.2189","0.0003","90","","90","","90","","826.96","0.06","297","2","297","","","","","","","","","4","C m c m","-C 2c 2","63","","CaNi2(SeO3)3","","- Ca Ni2 O9 Se3 -","- Ca Ni2 O9 Se3 -","- Ca4 Ni8 O36 Se12 -","4","0.25","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0687","0.0697","","","","","","1.147","","","","has coordinates","265938","2021-06-05","18:06:53",""
"7242591","14.406","0.003","16.682","0.003","25.02","0.005","90","","90","","90","","6013","2","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34.5 N5.5 O7 S2 -","- C22 H34.5 N5.5 O7 S2 -","- C176 H276 N44 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0488","0.0465","","","0.1222","0.1241","","","","","","1.018","","","","has coordinates","265957","2021-06-05","18:11:01",""
"7242592","19.556","0.003","19.556","0.003","17.153","0.003","90","","90","","90","","6559.9","1.8","113","2","113.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C22 H36 N4 O7 S2 -","- C22 H36 N4 O7 S2 -","- C176 H288 N32 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0977","0.079","","","0.2008","0.2148","","","","","","1.066","","","","has coordinates","265957","2021-06-05","18:11:02",""
"7242593","14.1543","0.0003","16.755","0.0004","23.7148","0.0006","90","","90","","90","","5624.1","0.2","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H70 N8 O16 S4 -","- C41 H70 N8 O16 S4 -","- C164 H280 N32 O64 S16 -","4","1","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","x-ray","0.71073","MoKα","","0.046","0.042","","","0.1043","0.1066","","","","","","1.039","","","","has coordinates,has disorder","265957","2021-06-05","18:11:02",""
"7242594","6.9349","0.0019","7.1467","0.0015","9.558","0.002","71.817","0.006","84.968","0.008","70.026","0.008","422.89","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.2083","0.1819","","","0.4492","0.4751","","","","","","1.653","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242595","6.9361","0.0007","7.1569","0.0006","9.5654","0.0009","71.825","0.003","84.915","0.003","69.902","0.003","423.58","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.0803","0.0632","","","0.1731","0.1973","","","","","","1.06","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242596","13.979","0.002","12.436","0.002","16.164","0.003","90","","90.613","0.003","90","","2809.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Co3 N6 O20 -","- C52 H52 Co3 N6 O20 -","- C104 H104 Co6 N12 O40 -","2","0.5","","Wu, Yun-Long; Yang, Rong-Rong; Yang, Guo-Ping; Yan, Yang-Tian; Su, Xiao-Lei; He, Xin-Hai; Song, Yan-Yan; Ma, Zheng-Sheng; Wang, Yao-Yu","A new porous Co(ii)-metal‒organic framework for high sorption selectivity and affinity to CO2 and efficient catalytic oxidation of benzyl alcohols to benzaldehydes","CrystEngComm","2021","23","20","3717","3723","10.1039/D1CE00250C","","","0.71073","MoKα","","0.0658","0.0478","","","0.1333","0.1447","","","","","","1.06","","","","has coordinates","265962","2021-06-05","18:11:45",""
"7242597","13.0833","0.0003","7.64625","0.00015","24.185","0.0005","90","","90","","90","","2419.42","0.09","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0478","0.0377","","","0.0943","0.1038","","","","","","1.039","","","","has coordinates","265939","2021-06-05","18:07:04",""
"7242598","11.3261","0.0003","15.5298","0.0004","8.0963","0.0002","90","","105.26","0.003","90","","1373.86","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0398","0.0347","","","0.0887","0.0942","","","","","","1.034","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242599","14.5352","0.0004","11.5897","0.0003","14.2576","0.0006","90","","102.137","0.003","90","","2348.13","0.14","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0753","0.0476","","","0.1139","0.1347","","","","","","1.003","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242600","5.55659","0.00018","10.0324","0.0003","22.5154","0.0007","90","","92.49","0.003","90","","1253.96","0.07","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0475","0.0366","","","0.0949","0.1031","","","","","","1.026","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242601","7.6398","0.001","12.74","0.002","13.6472","0.0019","90","","99.618","0.013","90","","1309.6","0.3","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0942","0.0638","","","0.1526","0.1739","","","","","","1.087","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242602","25.2543","0.001","5.1328","0.0002","9.8457","0.0004","90","","90","","90","","1276.25","0.09","150","2","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0462","0.0417","","","0.1054","0.1109","","","","","","1.099","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242603","12.8565","0.0004","13.5028","0.0005","20.6644","0.0006","72.641","0.003","75.515","0.002","84.414","0.002","3314.1","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene coordination complex with Sr(II)","","","- C61 H79 O39.5 Sr -","- C61 H66 O39.54 Sr -","- C122 H132 O79.08 Sr2 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0948","0.0805","","","0.1923","0.1987","","","","","","1.071","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242604","22.583","0.0011","23.6561","0.0006","26.736","0.0011","90","","95.186","0.005","90","","14224.6","1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carboxylated pillar[5]arene coordination complex with Sr(II) and phenanthroline","","","- C124 H136 N2 O77.5 Sr4 -","- C123.008 H94.506 N2 O77.499 Sr4 -","- C492.032 H378.024 N8 O309.996 Sr16 -","4","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.5418","CuKα","","0.1949","0.1146","","","0.2891","0.368","","","","","","0.997","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242605","13.9854","0.0006","14.3768","0.0005","23.0984","0.0009","73.904","0.003","72.539","0.004","64.366","0.004","3935.1","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene exclusion complex with phenanthroline","","","- C82.5 H86 N4 O36.3 -","- C82.472 H76.416 N4 O36.308 -","- C164.944 H152.832 N8 O72.616 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0995","0.0906","","","0.2682","0.278","","","","","","1.042","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242606","13.6055","0.0005","21.8372","0.0008","11.304","0.0004","90","","103.757","0.004","90","","3262.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H54 Eu2 N8 O12 -","- C80 H54 Eu2 N8 O12 -","- C160 H108 Eu4 N16 O24 -","2","0.5","","Ruan, Zhong-Yu; Lu, Yong-Fang; Lv, Xi; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Synthesis of a Eu complex based on benzonitrile hydrolysis as the first luminescent probe for clinafloxacin","CrystEngComm","2021","23","19","3602","3608","10.1039/D1CE00315A","","","0.71073","MoKα","","0.0395","0.0314","","","0.0606","0.0642","","","","","","1.077","","","","has coordinates","265955","2021-06-05","18:10:30",""
"7242607","19.048","0.0011","9.6054","0.0004","17.9497","0.0009","90","","116.283","0.003","90","","2944.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0327","0.0285","","","0.0564","0.0576","","","","","","1.066","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242608","18.9531","0.0015","9.568","0.0006","17.8641","0.0013","90","","116.077","0.004","90","","2909.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0235","0.0217","","","0.0477","0.0482","","","","","","1.095","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242609","19.001","0.011","9.557","0.004","17.951","0.009","90","","116.38","0.03","90","","2920","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0751","0.0564","","","0.1025","0.1093","","","","","","1.064","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242610","19.022","0.002","9.5893","0.0008","17.9373","0.0017","90","","116.148","0.005","90","","2937.1","0.5","102","2","102","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0388","0.0338","","","0.0665","0.068","","","","","","1.086","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242611","19.095","0.0013","9.592","0.0006","17.9594","0.0012","90","","116.394","0.004","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0413","0.0382","","","0.0816","0.083","","","","","","1.114","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242612","19.0674","0.0013","9.5986","0.0006","17.9747","0.0013","90","","116.405","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0226","0.022","","","0.0508","0.051","","","","","","1.119","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242626","9.6083","0.001","12.3397","0.0013","13.1345","0.0014","106.969","0.002","108.15","0.002","105.806","0.002","1297.4","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Co Mo4 N6 O15 -","- C16 H16 Co Mo4 N6 O15 -","- C32 H32 Co2 Mo8 N12 O30 -","2","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","x-ray","0.71073","MoKα","K-L~3~","0.1041","0.058","","","0.138","0.1606","","","","","","1.033","","","","has coordinates,has disorder","268663","2021-09-06","10:27:21",""
"7242627","15.892","0.002","16.61","0.002","16.579","0.002","90","","110.912","0.002","90","","4088","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Co Mo4 N6 O18 -","- C21 H20 Co Mo4 N6 O18 -","- C84 H80 Co4 Mo16 N24 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0505","0.0316","","","0.0694","0.0758","","","","","","0.932","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242628","8.3887","0.0016","12.411","0.002","20.052","0.004","90","","94.027","0.004","90","","2082.5","0.7","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co Mo8 N8 O28 -","- C26 H20 Co Mo8 N8 O28 -","- C52 H40 Co2 Mo16 N16 O56 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1187","0.0526","","","0.1226","0.1664","","","","","","0.851","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242629","8.3998","0.0003","12.4831","0.0004","20.0657","0.0007","90","","94.106","0.001","90","","2098.6","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Mo8 N8 O28 Zn -","- C26 H20 Mo8 N8 O28 Zn -","- C52 H40 Mo16 N16 O56 Zn2 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0267","0.0226","","","0.0523","0.0539","","","","","","1.104","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242630","15.958","0.0009","16.5096","0.0009","16.5324","0.001","90","","111.402","0.001","90","","4055.3","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Mo4 N6 Ni O18 -","- C21 H19 Mo4 N6 Ni O18 -","- C84 H76 Mo16 N24 Ni4 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1286","0.0852","","","0.2731","0.3097","","","","","","1.064","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242631","11.473","0.005","13.285","0.005","15.134","0.005","77.821","0.005","71.632","0.005","76.796","0.005","2107.1","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.1257","0.0871","","","0.2698","0.2941","","","","","","1.096","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242632","14.4073","0.0006","14.6547","0.0006","18.0891","0.0008","98.781","0.001","92.723","0.001","112.217","0.001","3471.1","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.076","","","0.1346","0.1515","","","","","","1.041","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242633","14.386","0.001","14.6213","0.001","18.0964","0.0013","98.825","0.002","92.764","0.002","112.21","0.001","3458.7","0.4","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0552","","","0.0882","0.1115","","","","","","0.973","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242634","11.2593","0.0009","12.2095","0.001","12.6834","0.0011","77.379","0.002","70.498","0.002","88.223","0.002","1602.2","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71073","MoKα","","0.0647","0.0559","","","0.1595","0.165","","","","","","1.089","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242635","13.186","0.005","16.56","0.005","17.567","0.005","86.945","0.005","86.378","0.005","76.76","0.005","3724","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cu2 Mo12 N9 O48 P -","- C48 H42 Cu2 Mo12 N9 O48 P -","- C96 H84 Cu4 Mo24 N18 O96 P2 -","2","1","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.0716","0.0448","","","0.1105","0.1259","","","","","","1.003","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242636","16.2488","0.001","19.1465","0.0012","24.0881","0.0014","67.688","0.001","71.651","0.001","66.913","0.001","6255.3","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C210 H178 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","","0.1161","0.066","","","0.1397","0.1654","","","","","","1.032","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242637","9.6734","0.0007","9.6734","0.0007","31.308","0.004","90","","90","","120","","2537.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C102 H78 Cl12 N6 O12 S6 -","6","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.2147","0.065","","","0.1035","0.1458","","","","","","1.078","","","","has coordinates,has disorder","265991","2021-06-05","18:20:11",""
"7242638","9.0476","0.0008","8.5404","0.0008","11.4193","0.0011","90","","113.152","0.006","90","","811.31","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C34 H26 Cl4 N2 O4 S2 -","2","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.0744","0.0458","","","0.0884","0.1025","","","","","","1.027","","","","has coordinates","265991","2021-06-05","18:20:11",""
"7242649","25.7398","0.0011","23.6271","0.0011","9.7094","0.0005","90","","106.926","0.003","90","","5649","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C96 H96 N64 Zn16 -","8","1","","Meng, Qianqian; Wang, Jiang; Shi, Qi; Dong, Jinxiang","Synthesis of a new ATN-type zeolitic imidazolate framework through cooperative effects of N,N-dipropylformamide and n-butylamine","CrystEngComm","2021","23","19","3429","3433","10.1039/D1CE00287B","","","1.54178","CuKα","","0.0847","0.0693","","","0.1849","0.2025","","","","","","1.005","","","","has coordinates,has disorder","265952","2021-06-05","18:10:03",""
"7242658","25.411","0.012","16.573","0.008","16.573","","90","","90","","90","","6979","5","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16.25 H15.75 N1.25 O6 Zn -","- C13 H6 O5 Zn -","- C104 H48 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1067","0.0727","","","0.1934","0.2033","","","","","","1.035","","","","has coordinates","265987","2021-06-05","18:19:27",""
"7242659","17.693","0.003","33.688","0.007","16.248","0.003","90","","90","","90","","9684","3","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C26 H36 N3.5 O9.5 Zn -","- C16 H8 O5 Zn -","- C128 H64 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1534","0.1094","","","0.2837","0.3234","","","","","","1.018","","","","has coordinates,has disorder","265987","2021-06-05","18:19:29",""
"7242660","9.5836","0.0005","9.5888","0.0005","10.0923","0.0006","67.643","0.006","88.319","0.005","61.421","0.005","739.79","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","1","0.5","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0331","0.029","","","0.057","0.06","","","","","","1.031","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242661","16.702","0.003","13.373","0.003","27.508","0.006","90","","98.96","0.03","90","","6069","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C168 H140 Bi16 Br48 N36 O32 -","8","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0359","0.0295","","","0.0666","0.0688","","","","","","1.037","","","","has coordinates,has disorder","265964","2021-06-05","18:12:06",""
"7242662","16.7831","0.0007","10.2718","0.0005","15.2355","0.0007","90","","94.446","0.004","90","","2618.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Bi Br4 N3 O2 -","- C20 H30 Bi Br4 N3 O2 -","- C80 H120 Bi4 Br16 N12 O8 -","4","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.04","0.0316","","","0.0649","0.0705","","","","","","1.016","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242663","6.8987","0.0004","21.2912","0.0012","8.6833","0.0005","90","","102.19","0.0018","90","","1246.66","0.12","295","2","295.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe5 Mo7 O28 Rb -","- Fe5 Mo7 O28 Rb -","- Fe10 Mo14 O56 Rb2 -","2","0.5","","Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H.","The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion","CrystEngComm","2021","23","18","3297","3307","10.1039/D1CE00118C","","","0.71073","MoKα","","0.0199","0.0166","","","0.0336","0.0345","","","","","","1.086","","","","has coordinates","265986","2021-06-05","18:19:09",""
"7242665","10.2977","0.0007","17.1374","0.0012","25.7887","0.0018","85.798","0.006","85.562","0.006","77.91","0.006","4429.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N6 O3 -","- C9 H10 N6 O3 -","- C144 H160 N96 O48 -","16","8","","Caimac, Nicoleta; Melnic, Elena; Chisca, Diana; Fonari, Marina S.","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions","CrystEngComm","2021","23","17","3099","3108","10.1039/D1CE00313E","","","0.71073","MoKα","","0.2402","0.0699","","","0.0764","0.1094","","","","","","0.871","","","","has coordinates","265941","2021-06-05","18:07:23",""
"7242668","12.3714","0.0012","18.5178","0.0017","5.6651","0.0005","90","","90","","90","","1297.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0928","0.0641","","","0.1804","0.2067","","","","","","1.093","","","","has coordinates","265997","2021-06-05","18:21:38",""
"7242669","11.626","0.007","30.46","0.02","8.952","0.004","90","","90","","90","","3170","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 N6 O8 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0556","0.0383","","","0.1159","0.1243","","","","","","1.045","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242670","11.4051","0.0014","8.0096","0.001","19.454","0.002","90","","106.613","0.003","90","","1702.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Co N6 O8 -","- C34 H34 Co N6 O8 -","- C68 H68 Co2 N12 O16 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0403","0.031","","","0.0805","0.0858","","","","","","1.078","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242671","30.4091","0.0014","11.6865","0.0005","8.9577","0.0003","90","","90","","90","","3183.4","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 Co N6 O8 -","- C30 H32 Co N6 O8 -","- C120 H128 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.057","0.0444","","","0.137","0.1477","","","","","","1","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242672","11.7","0.004","30.466","0.01","8.959","0.003","90","","90","","90","","3193.5","1.9","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0511","0.042","","","0.0873","0.0909","","","","","","1.083","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242673","11.653","0.007","30.448","0.014","8.96","0.005","90","","90","","90","","3179","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 Co N6 O8 -","- C30 H34 Co N6 O8 -","- C120 H136 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0678","0.0502","","","0.2083","0.2259","","","","","","1.021","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242674","13.896","0.003","4.8595","0.0011","15.28","0.004","90","","111.44","0.03","90","","960.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ag2 N2 O5 S -","- C6 H4 Ag2 N2 O5 S -","- C24 H16 Ag8 N8 O20 S4 -","4","1","","Lin, Yuan; Jiang, Huijie; Liang, Guangling; Deng, Wei-Hua; Li, Qiaohong; Li, Wen-Hua; Xu, Gang","The exceptionally high moisture responsiveness of a new conductive-coordination-polymer based chemiresistive sensor","CrystEngComm","2021","23","19","3549","3556","10.1039/D1CE00347J","","","0.71073","MoKα","","0.066","0.0436","","","0.0736","0.0796","","","","","","1.038","","","","has coordinates","265950","2021-06-05","18:09:15",""
"7242677","4.8625","0.0006","27.236","0.003","16.031","0.002","90","","97.22","0.004","90","","2106.2","0.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H19 Br3 N4 O -","- C20 H19 Br3 N4 O -","- C80 H76 Br12 N16 O4 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0718","0.0427","","","0.0854","0.0954","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242678","4.6889","0.0002","27.4022","0.0012","16.2907","0.0007","90","","95.444","0.002","90","","2083.69","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 Cl3 N4 O2 -","- C20 H21 Cl3 N4 O2 -","- C80 H84 Cl12 N16 O8 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0352","0.0319","","","0.0794","0.0815","","","","","","1.042","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242679","7.9128","0.0005","12.1194","0.0007","14.6144","0.0009","111.868","0.003","97.267","0.003","95.94","0.003","1272.82","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -","- C40 H38 Cl6 N8 O26 -","2","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.081","0.074","","","0.2187","0.2272","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242680","28.619","0.0012","14.2049","0.0005","14.1485","0.0006","90","","100.174","0.0014","90","","5661.4","0.4","150","2","150.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Ce2 N5 O20 -","- C47 H55 Ce2 N5 O20 -","- C188 H220 Ce8 N20 O80 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1","0.1019","","","","","","1.233","","","","has coordinates,has disorder","265993","2021-06-05","18:20:51",""
"7242681","28.4297","0.0013","14.2555","0.0006","13.8161","0.0005","90","","100.144","0.002","90","","5511.9","0.4","150","2","150.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 Gd2 N5 O19 -","- C47 H53 Gd2 N5 O19 -","- C188 H212 Gd8 N20 O76 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0492","0.0441","","","0.1195","0.1218","","","","","","1.087","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242682","28.698","0.004","14.307","0.002","13.8772","0.0019","90","","99.521","0.004","90","","5619.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 Eu N2 O9 -","- C22 H23 Eu N2 O9 -","- C176 H184 Eu8 N16 O72 -","8","1","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0886","0.0554","","","0.1552","0.1687","","","","","","1.094","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242683","19.6983","0.001","19.6983","0.001","45.34","0.002","90","","90","","120","","15236","1.3","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Dy2 O16.5 -","- C32 H23 Dy2 O16.5 -","- C288 H207 Dy18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0436","0.0371","","","0.1042","0.1087","","","","","","1.057","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242684","28.5809","0.0012","14.1925","0.0006","14.113","0.0005","90","","99.9937","0.0013","90","","5637.9","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Pr2 -","- C47 H53 N5 O19 Pr2 -","- C188 H212 N20 O76 Pr8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0466","0.0437","","","0.1029","0.1042","","","","","","1.169","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242685","28.531","0.002","14.3021","0.0009","13.7731","0.0009","90","","100.718","0.002","90","","5522.1","0.6","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Sm2 -","- C47 H53 N5 O19 Sm2 -","- C188 H212 N20 O76 Sm8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0566","0.0428","","","0.1071","0.1125","","","","","","1.06","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242686","19.6548","0.0011","19.6548","0.0011","45.295","0.003","90","","90","","120","","15153.7","1.6","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Ho2 O16.5 -","- C32 H23 Ho2 O16.5 -","- C288 H207 Ho18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0533","0.0424","","","0.1246","0.1305","","","","","","1.086","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242687","10.5841","0.0011","7.8503","0.0006","14.9718","0.0013","90","","101.399","0.009","90","","1219.44","0.19","293.3","0.7","293.3","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Clotam, Tolfedine,2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid","tolfenamic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","","Sacchi, Pietro; Reutzel-Edens, Susan M.; Cruz-Cabeza, Aurora J.","The unexpected discovery of the ninth polymorph of tolfenamic acid","CrystEngComm","2021","23","20","3636","3647","10.1039/D1CE00343G","","x-ray","0.71073","MoKα","","0.1288","0.0577","","","0.0992","0.1247","","","","","","1.038","","","","has coordinates","265965","2021-06-05","18:12:12",""
"7242694","24.2206","0.001","18.2735","0.001","17.7634","0.0008","90","","90","","90","","7862","0.6","293","2","293.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H24 Cu2 N2 O10 -","- C28 H24 Cu2 N2 O10 -","- C224 H192 Cu16 N16 O80 -","8","1","","Li, Anqi; Ma, Xiaofan; Ma, Jie; Yuan, Qingyi; Zhang, Jun; Xuan, Xiaopeng","A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions","CrystEngComm","2021","23","22","3989","3994","10.1039/D1CE00251A","","x-ray","1.54184","CuKα","","0.1148","0.0851","","","0.1985","0.2118","","","","","","0.968","","","","has coordinates,has disorder","267113","2021-07-05","17:08:19",""
"7242698","11.385","0.004","5.4371","0.0018","14.32","0.005","90","","105.333","0.005","90","","854.9","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N4 -","- C24 H20 Co N4 -","- C48 H40 Co2 N8 -","2","0.5","","Takahashi, Yukihiro; Ishida, Kenshiro; Matsuno, Sarasa; Kurokawa, Masashi; Shimada, Takuro; Harada, Jun; Inabe, Tamotsu","Charge injection phenomena at the contact interface between (5,10,15,20-tetramethylporphyrinato)cobalt(ii) and 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane single crystals","CrystEngComm","2021","23","22","3975","3980","10.1039/D1CE00299F","","","0.71073","MoKα","","0.0818","0.0593","","","0.1303","0.1394","","","","","","1.091","","","","has coordinates","267117","2021-07-05","17:08:57",""
"7242699","8.4385","0.0017","11.64","0.002","15.505","0.003","72.57","0.006","78.032","0.007","77.754","0.007","1403","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0997","0.0545","","","0.1182","0.1435","","","","","","1.022","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242700","11.6933","0.0006","19.4475","0.0009","15.7924","0.0007","90","","104.568","0.005","90","","3475.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37.5 H29.5 Cl4.5 Ir N3 O2 -","- C37.5 H29.5 Cl4.5 Ir N3 O2 -","- C150 H118 Cl18 Ir4 N12 O8 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host–guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","x-ray","0.71073","MoKα","","0.0853","0.0597","","","0.1279","0.1396","","","","","","1.015","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7242701","9.5848","0.0006","11.213","0.0006","15.3359","0.0006","79.265","0.004","87.618","0.004","83.077","0.005","1607.26","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Rac-pq-DL-pca","","- C36 H30 Ir N3 O2 -","- C36 H30 Ir N3 O2 -","- C72 H60 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0659","0.0532","","","0.1317","0.1622","","","","","","1.186","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242702","10.9116","0.0009","12.8156","0.0008","11.1952","0.001","90","","116.915","0.011","90","","1395.9","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Ir N3 O2 -","- C36 H28 Ir N3 O2 -","- C72 H56 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0538","0.0501","","","0.1239","0.1296","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242703","17.1672","0.0003","17.1672","0.0003","11.4013","0.0004","90","","90","","90","","3360.11","0.14","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","Δ-D-pca","","- C37 H34 Ir N3 O3 -","- C37 H34 Ir N3 O3 -","- C148 H136 Ir4 N12 O12 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0482","0.0395","","","0.0855","0.0889","","","","","","1.004","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242704","11.0806","0.0002","14.0971","0.0003","27.4716","0.0006","90","","96.807","0.002","90","","4260.93","0.15","100.5","0.7","100.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0954","0.0806","","","0.2378","0.2496","","","","","","1.045","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242705","7.119","0.0003","20.3309","0.0011","9.5266","0.0004","90","","96.058","0.002","90","","1371.14","0.11","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1189","0.0584","","","0.1311","0.1651","","","","","","1.034","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242706","8.5788","0.0003","11.5484","0.0004","15.5295","0.0004","71.665","0.001","76.089","0.001","77.225","0.001","1399.8","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","3ma","","- C18 H16 F N O -","- C18 H16 F N O -","- C72 H64 F4 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0754","0.0475","","","0.1042","0.127","","","","","","1.04","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242707","11.172","0.0003","14.4058","0.0003","28.4891","0.0008","90","","99.187","0.002","90","","4526.3","0.2","372.99","0.13","372.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1224","0.0752","","","0.2266","0.2553","","","","","","1.024","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242708","11.1207","0.0003","14.2524","0.0003","28.2337","0.0007","90","","98.503","0.002","90","","4425.76","0.19","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.098","0.0635","","","0.1919","0.2144","","","","","","1.048","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242709","11.0967","0.0002","14.131","0.0003","27.593","0.0006","90","","97.044","0.002","90","","4294.13","0.15","152.95","0.1","152.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0953","0.0775","","","0.229","0.2421","","","","","","1.036","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242710","11.1435","0.0003","14.3229","0.0004","28.3951","0.0009","90","","98.853","0.003","90","","4478.1","0.2","332.99","0.1","332.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1092","0.0648","","","0.1934","0.221","","","","","","1.018","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242711","11.1134","0.0002","14.2035","0.0003","28.0547","0.0007","90","","98.077","0.002","90","","4384.48","0.17","252.98","0.1","252.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.11","0.083","","","0.2268","0.2477","","","","","","1.046","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242712","10.5542","0.0002","17.6038","0.0004","16.6076","0.0003","90","","91.163","0.002","90","","3084.96","0.11","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H27 Ir N3 O2 -","- C36 H26.5 Ir N3 O2 -","- C144 H106 Ir4 N12 O8 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host–guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0348","0.0334","","","0.094","0.0951","","","","","","1.09","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7242713","12.1359","0.0003","13.8894","0.0003","13.9395","0.0003","92.898","0.002","97.773","0.002","100.49","0.002","2282.32","0.09","130","2","129.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N16 Na4 O12 W2 -","- C32 H28 N16 Na4 O12 W2 -","- C64 H56 N32 Na8 O24 W4 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.7107","MoKα","","0.0575","0.0349","","","0.0629","0.0711","","","","","","1.07","","","","has coordinates","267099","2021-07-05","17:04:07",""
"7242714","8.5595","0.0002","9.8622","0.0001","13.8861","0.0003","94.349","0.001","99.66","0.002","98.206","0.001","1137.75","0.04","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 N9 Na2 O4.9 W -","- C18 H11 N9 Na2 O4.872 W -","- C36 H22 N18 Na4 O9.744 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.71073","MoKα","","0.0542","0.0469","","","0.1191","0.1232","","","","","","1.076","","","","has coordinates,has disorder","267099","2021-07-05","17:04:07",""
"7242716","11.4747","0.0007","26.5116","0.0014","15.3274","0.0009","90","","103.836","0.006","90","","4527.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy F9 N2 O6 -","- C45 H36 Dy F9 N2 O6 -","- C180 H144 Dy4 F36 N8 O24 -","4","1","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.1743","0.088","","","0.1966","0.283","","","","","","0.999","","","","has coordinates","267115","2021-07-05","17:08:43",""
"7242717","12.7036","0.0011","12.9201","0.0012","16.3475","0.0015","78.309","0.008","76.098","0.008","65.756","0.009","2358.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","1","0.5","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","x-ray","1.54184","CuKα","","0.13","0.0876","","","0.1865","0.2279","","","","","","1.037","","","","has coordinates,has disorder","267115","2021-07-05","17:08:43",""
"7242718","45.84","0.002","19.6673","0.0006","25.2882","0.0011","90","","115.257","0.003","90","","20619.1","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H34 Dy F9 N4 O6 -","- C51 H34 Dy F9 N4 O6 -","- C816 H544 Dy16 F144 N64 O96 -","16","2","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)–K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.135","0.0845","","","0.2448","0.3027","","","","","","0.944","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7242719","13.9641","0.0006","13.0136","0.0005","11.2102","0.0005","90","","101.341","0.001","90","","1997.38","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0536","0.0511","","","0.134","0.1363","","","","","","1.064","","","","has coordinates","267118","2021-07-05","17:09:09",""
"7242720","10.945","0.003","13.203","0.005","15.214","0.005","111.931","0.012","95.97","0.012","94.038","0.012","2014.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0415","0.0362","","","0.1105","0.1156","","","","","","1.028","","","","has coordinates","267118","2021-07-05","17:09:10",""
"7242721","4.883","0.0001","15.353","0.0005","30.034","0.0008","90","","93.087","0.001","90","","2248.34","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 O7 -","- C22 H29 N3 O7 -","- C88 H116 N12 O28 -","4","1","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1109","0.1146","","","","","","1.047","","","","has coordinates,has disorder","267118","2021-07-05","17:09:10",""
"7242722","9.4972","0.0018","14.745","0.003","13.181","0.002","90","","90","","90","","1845.8","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Br4 N2 O4 -","- C16 H8 Br4 N2 O4 -","- C64 H32 Br16 N8 O16 -","4","0.5","","Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat","Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission","CrystEngComm","2021","23","19","3510","3523","10.1039/D1CE00020A","","","0.71073","MoKα","","0.053","0.0278","","","0.054","0.0624","","","","","","1.017","","","","has coordinates","265949","2021-06-05","18:09:09",""
"7242723","17.673","0.004","8.2835","0.0016","21.405","0.003","90","","109.922","0.012","90","","2946","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl N7 O5 S -","- C25 H38 Cl N7 O5 S -","- C100 H152 Cl4 N28 O20 S4 -","4","1","","Ahmadi, Soroush; Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Desolvation of dasatinib methanolate: an improved anhydrous polymorph","CrystEngComm","2021","23","24","4272","4283","10.1039/D1CE00337B","","","0.71073","MoKα","","0.0749","0.0492","","","0.1223","0.1392","","","","","","1.041","","","","has coordinates,has disorder","267108","2021-07-05","17:06:50",""
"7242724","7.6879","0.0001","16.0216","0.0004","25.5781","0.0006","90","","90","","90","","3150.52","0.12","293","2","293","2","","","","","","","synthesis as described","5","P b n b","-P 2bc 2ab","56","Compound MOF","","","- C31 H30 Co2 N4 O12 -","- C31 H30 Co2 N4 O12 -","- C124 H120 Co8 N16 O48 -","4","0.5","","Ramírez, Daniel J.; Alfonso Herrera, Luis A.; Colorado-Peralta, Raúl; Rodríguez, Rodolfo Peña; Camarillo Reyes, P. K.; Chiñas, Lidia Elena; Sánchez, Mario; Rivera, José María","Highly efficient methyl orange adsorption by UV-012, a new crystalline Co(ii) MOF","CrystEngComm","2021","23","19","3537","3548","10.1039/D0CE00741B","","x-ray","0.71073","MoKα","","0.1092","0.0687","","","0.1972","0.2266","","","","","","1.092","","","","has coordinates","265953","2021-06-05","18:10:11",""
"7242725","12.501","0.003","7.2941","0.0015","15.655","0.003","90","","102.12","0.03","90","","1395.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cd N O6 -","- C14 H6 Cd N O6 -","- C56 H24 Cd4 N4 O24 -","4","1","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.0292","0.0262","","","0.0757","0.0777","","","","","","1.16","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242726","15.1651","0.0003","10.8557","0.0002","16.4832","0.0003","90","","104.808","0.001","90","","2623.47","0.09","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Cd3 N2 O12 -","- C28 H12 Cd3 N2 O12 -","- C112 H48 Cd12 N8 O48 -","4","0.5","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.019","0.0186","","","0.0435","0.0437","","","","","","1.125","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242727","15.113","0.009","7.205","0.004","8.356","0.004","90","","90","","90","","909.9","0.9","250","0.1","250","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","0.5","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0832","0.0513","","","0.1384","0.1647","","","","","","1.057","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242728","16.306","0.005","6.98","0.002","15.165","0.006","90","","90","","90","","1726","1","99.9","0.2","99.9","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","2","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.1079","0.1198","","","","","","1.056","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242729","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","271181","2021-12-07","03:10:18",""
"7242730","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","271181","2021-12-07","03:10:19",""
"7242731","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","267116","2021-07-05","17:08:51",""
"7242732","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","267116","2021-07-05","17:08:52",""
"7242741","7.1516","0.0005","15.1815","0.001","10.5616","0.0007","90","","90.44","0.002","90","","1146.66","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O8 -","- C10 H11 Dy O8 -","- C40 H44 Dy4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0258","0.0227","","","0.0564","0.058","","","","","","1.079","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242742","7.1288","0.0002","15.1653","0.0004","10.5514","0.0003","90","","90.462","0.001","90","","1140.68","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O8 Tb -","- C10 H11 O8 Tb -","- C40 H44 O32 Tb4 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0347","0.0241","","","0.0437","0.0475","","","","","","1.047","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242743","7.0577","0.0004","15.098","0.0007","10.5128","0.0005","90","","90.412","0.002","90","","1120.19","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 La O8 -","- C10 H7 La O8 -","- C40 H28 La4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0344","0.0321","","","0.0908","0.0926","","","","","","1.091","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242744","11.3341","0.0011","21.413","0.002","14.0095","0.0013","90","","108.101","0.002","90","","3231.8","0.5","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N16 Ni2 O36 P0 S4 W10 -","- C32 H40 N16 Ni2 O36 S4 W10 -","- C64 H80 N32 Ni4 O72 S8 W20 -","2","0.5","","Xing, Cuili; Ma, Pengtao; Zhao, Meng; Chang, Jiangnan; Guo, Xiaoyuan; Sun, Lin; Li, Mingxue","Facile and green synthesis of decatungstate-based nickel(ii) complex coated onto modified Fe3O4 nanoparticles with enhanced antimicrobial activity against antibiotic-resistant bacteria","CrystEngComm","2021","23","21","3919","3928","10.1039/D1CE00421B","","","0.71073","MoKα","","0.0477","0.0385","","","0.0945","0.0985","","","","","","1.022","","","","has coordinates","265994","2021-06-05","18:21:00",""
"7242745","12.1026","0.0004","16.5399","0.0008","19.7752","0.0007","90","","90","","90","","3958.5","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O6 Zn -","- C21 H18 N2 O6 Zn -","- C168 H144 N16 O48 Zn8 -","8","1","","Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu","A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","22","4059","4068","10.1039/D1CE00323B","","x-ray","0.71073","MoKα","","0.1049","0.0656","","","0.158","0.186","","","","","","1.028","","","","has coordinates","267119","2021-07-05","17:09:17",""
"7242756","15.5044","0.0013","7.5706","0.0005","17.2282","0.0015","90","","110.423","0.002","90","","1895.1","0.3","301","2","301.18","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H0.25 Cl N2 O5 Zn -","- C18 H11 Cl N2 O5 Zn -","- C72 H44 Cl4 N8 O20 Zn4 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","","0.71073","MoKα","","0.1124","0.0997","","","0.3133","0.3304","","","","","","1.444","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242757","15.4911","0.0004","7.5672","0.0002","17.2289","0.0005","90","","110.483","0.003","90","","1891.95","0.1","300.49","0.1","300.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cd Cl N2 O3.75 -","- C18 H13 Cd Cl N2 O5 -","- C72 H52 Cd4 Cl4 N8 O20 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","x-ray","0.71073","MoKα","","0.0578","0.0497","","","0.1791","0.1873","","","","","","1.436","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242758","3.8289","0.0004","17.8979","0.0017","16.8534","0.0016","90","","92.005","0.003","90","","1154.2","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium-organic Compound","","","- C11 H7 Cd N O5 S -","- C11 H7 Cd N O5 S -","- C44 H28 Cd4 N4 O20 S4 -","4","1","","Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar","Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water","CrystEngComm","2021","23","23","4160","4168","10.1039/D1CE00333J","","","0.71073","MoKα","","0.0378","0.0331","","","0.1063","0.1171","","","","","","1.361","","","","has coordinates","267132","2021-07-05","17:13:34",""
"7242759","7.878","0.0006","3.9147","0.0004","15.6886","0.0014","90","","102.569","0.007","90","","472.24","0.07","163","","163","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0624","0.0452","","","0.1146","0.1295","","","","","","1.054","","","","has coordinates","268688","2021-09-06","10:32:24",""
"7242760","7.8729","0.0008","3.9195","0.0005","15.7126","0.0018","90","","102.604","0.01","90","","473.17","0.1","178","","178","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0773","0.0512","","","0.123","0.1443","","","","","","1.008","","","","has coordinates","268688","2021-09-06","10:32:28",""
"7242761","7.8702","0.0009","3.9302","0.0006","15.732","0.002","90","","102.573","0.012","90","","474.94","0.11","193","","193","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0841","0.052","","","0.1191","0.1411","","","","","","0.995","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242762","7.8864","0.0007","3.9488","0.0005","15.774","0.002","90","","102.624","0.01","90","","479.36","0.1","238","","238","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.08","0.0489","","","0.1093","0.1304","","","","","","1.036","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242763","7.8846","0.0008","3.9372","0.0005","15.754","0.002","90","","102.594","0.012","90","","477.29","0.1","208","","208","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1259","0.0554","","","0.0911","0.1103","","","","","","0.89","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242764","7.8876","0.0007","3.9434","0.0004","15.7578","0.0019","90","","102.624","0.011","90","","478.28","0.09","223","","223","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0904","0.0533","","","0.1138","0.1367","","","","","","1.01","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242765","7.8728","0.0007","3.9608","0.0005","15.7845","0.0019","90","","102.664","0.009","90","","480.23","0.1","268","","268","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1077","0.0547","","","0.1249","0.1601","","","","","","1.003","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242766","7.8662","0.0004","3.966","0.0003","15.7823","0.0011","90","","102.696","0.006","90","","480.33","0.06","298","","298","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0724","0.0467","","","0.1153","0.1374","","","","","","1.046","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242767","7.8758","0.0008","3.9534","0.0005","15.7573","0.0016","90","","102.653","0.01","90","","478.71","0.09","253","","253","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0956","0.0551","","","0.123","0.1554","","","","","","1.022","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242768","7.8868","0.001","3.9718","0.0005","15.822","0.002","90","","102.719","0.013","90","","483.46","0.11","283","","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.12","0.0572","","","0.1209","0.1616","","","","","","1.005","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242769","19.7195","0.0004","8.9435","0.0002","37.5526","0.001","90","","90","","90","","6622.8","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.0608","0.0473","","","0.0888","0.0922","","","","","","1.154","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242770","19.7647","0.0007","8.9121","0.0004","38.0935","0.0015","90","","90","","90","","6710","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2_Hex","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.1142","0.0906","","","0.1879","0.1956","","","","","","1.285","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242771","3.8711","0.0003","11.149","0.001","32.557","0.003","90","","90","","90","","1405.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","E-ArF2","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K.","Light-fueled rapid macroscopic motion of a green fluorescent organic crystal","CrystEngComm","2021","23","34","5876","5881","10.1039/D1CE00460C","","","0.71073","MoKα","","0.0487","0.0396","","","0.1265","0.141","","","","","","1.196","","","","has coordinates","268693","2021-09-06","10:33:19",""
"7242772","8.34","0.002","25.809","0.007","10.622","0.003","90","","94.689","0.007","90","","2278.7","1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1506","0.0765","","","0.1482","0.1784","","","","","","1.022","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242773","9.2955","0.001","9.6189","0.001","11.1769","0.0012","68.975","0.002","70.514","0.002","82.886","0.002","879.38","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C38 H40 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0489","0.041","","","0.1033","0.109","","","","","","1.037","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242774","9.4667","0.001","9.5371","0.001","10.9139","0.0011","71.045","0.002","72.014","0.002","82.789","0.002","886.04","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0588","0.0414","","","0.0963","0.1085","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242775","10.8013","0.0008","14.882","0.0011","16.5499","0.0012","100.215","0.0016","108.537","0.0016","109.034","0.0017","2264.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O5 -","- C24 H30 N4 O5 -","- C96 H120 N16 O20 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.09","0.05","","","0.1057","0.1257","","","","","","1.02","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242776","10.866","0.0005","12.6977","0.0006","15.5356","0.0007","90","","90","","90","","2143.5","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0405","0.0353","","","0.0936","0.0989","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242777","15.1775","0.0015","11.3912","0.0011","9.0508","0.0009","90","","99.279","0.002","90","","1544.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.069","0.0478","","","0.1104","0.1224","","","","","","1.019","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242778","8.985","0.0004","23.1322","0.0011","9.9624","0.0005","90","","109.782","0.001","90","","1948.42","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0698","0.0483","","","0.1026","0.1153","","","","","","1.028","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242779","12.3392","0.0012","8.4864","0.0008","34.065","0.003","90","","99.814","0.002","90","","3514.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C160 H176 N32 O16 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.103","0.0586","","","0.1199","0.1412","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242780","8.2337","0.0009","10.7773","0.0012","12.997","0.0014","98.025","0.003","97.959","0.003","91.457","0.003","1129.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0839","0.0532","","","0.1141","0.1283","","","","","","1.03","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242781","12.7245","0.0007","9.4309","0.0005","17.0038","0.0009","90","","100.219","0.001","90","","2008.15","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O3 -","- C21 H26 N4 O3 -","- C84 H104 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.075","0.0459","","","0.1053","0.1213","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242782","13.2527","0.0011","13.5955","0.0011","14.5032","0.0012","112.5","0.0017","98.1336","0.0017","104.91","0.0018","2247.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C100 H108 N20 O8 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0831","0.053","","","0.1278","0.1466","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242783","8.0523","0.001","10.7345","0.0013","13.0559","0.0016","97.828","0.003","97.868","0.003","91.711","0.003","1106.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C46 H56 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1072","0.0584","","","0.1163","0.1403","","","","","","1.009","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242784","10.5144","0.0006","13.2689","0.0007","15.6124","0.0008","90","","91.5967","0.0012","90","","2177.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O3 -","- C24 H28 N4 O3 -","- C96 H112 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0754","0.0473","","","0.1031","0.1177","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242785","12.5231","0.0009","12.9844","0.001","13.4742","0.001","103.876","0.0016","96.9424","0.0017","97.186","0.0017","2084.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O3 -","- C22 H28 N4 O3 -","- C88 H112 N16 O12 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0905","0.0572","","","0.1335","0.151","","","","","","1.014","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242786","12.6677","0.0014","9.9394","0.0011","16.7019","0.0018","90","","101.334","0.002","90","","2061.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N5 O2 -","- C22 H25 N5 O2 -","- C88 H100 N20 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0756","0.0474","","","0.1106","0.1266","","","","","","1.016","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242787","14.6755","0.0014","17.8903","0.0016","16.1564","0.0015","90","","91.586","0.002","90","","4240.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C176 H208 N32 O32 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1134","0.0553","","","0.1041","0.1302","","","","","","1.01","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242788","12.8477","0.0015","10.4635","0.0011","26.812","0.003","90","","93.96","0.002","90","","3595.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N8 O10 -","- C36 H36 N8 O10 -","- C144 H144 N32 O40 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.0933","0.0576","","","0.1389","0.1618","","","","","","1.022","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242789","6.428","0.005","10.302","0.008","25.248","0.019","90","","89.053","0.015","90","","1672","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N6 O8 -","- C40 H30 N6 O8 -","- C80 H60 N12 O16 -","2","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.1253","0.0836","","","0.2318","0.2924","","","","","","1.078","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242797","24.8541","0.0011","6.7596","0.0003","15.6816","0.0006","90","","104.869","0.004","90","","2546.35","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2ECN","","- C33 H22 N2 O2 -","- C33 H22 N2 O2 -","- C132 H88 N8 O8 -","4","1","","Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro","Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene","CrystEngComm","2021","23","34","5869","5875","10.1039/D1CE00456E","","x-ray","0.71073","MoKα","","0.1206","0.0617","","","0.1564","0.1927","","","","","","1.013","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7242798","18.892","0.004","6.2547","0.0015","24.173","0.006","90","","104.589","0.004","90","","2764.3","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine fumaric acid cocrystal","","- C10 H16.22 Cl N5 O2.11 -","- C10 H16.22 Cl N5 O2.11 -","- C80 H129.76 Cl8 N40 O16.88 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0971","0.0863","","","0.2048","0.2128","","","","","","1.168","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242799","9.1659","0.0007","9.5067","0.0008","9.6825","0.0008","77.541","0.007","72.346","0.007","67.479","0.007","737.89","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N6 O3 S -","- C9 H18 N6 O3 S -","- C18 H36 N12 O6 S2 -","2","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0861","0.0657","","","0.1805","0.195","","","","","","1.046","","","","has coordinates,has disorder","267102","2021-07-05","17:05:24",""
"7242800","8.2238","0.0003","10.1689","0.0003","19.8066","0.0005","90","","99.017","0.003","90","","1635.9","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F3 N5 O2 S -","- C11 H18 F3 N5 O2 S -","- C44 H72 F12 N20 O8 S4 -","4","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0948","0.0711","","","0.2156","0.2365","","","","","","1.041","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242801","18.922","0.013","6.297","0.004","24.311","0.016","90","","104.748","0.006","90","","2801","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine Fumaric acid cocrystal (dehydrate)","","- C10 H16 Cl N5 O2 -","- C10 H16 Cl N5 O2 -","- C80 H128 Cl8 N40 O16 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0975","0.0879","","","0.205","0.2112","","","","","","1.229","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242802","13.9445","0.0012","19.9094","0.0016","10.1085","0.0009","90","","90","","90","","2806.4","0.4","298","2","298.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H66 Mn N14 O22 P2 -","- C44 H50 Mn N14 O22 P2 -","- C88 H100 Mn2 N28 O44 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","","0.71073","MoKα","","0.0968","0.0593","","","0.1472","0.1737","","","","","","1.025","","","","has coordinates,has disorder","267133","2021-07-05","17:13:43",""
"7242803","6.8541","0.0005","10.2632","0.0007","14.0271","0.001","111.04","0.002","93.282","0.002","92.104","0.002","917.7","0.11","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","amp-cd-bpe","","- C22 H42 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","1","1","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0244","0.0243","","","0.066","0.066","","","","","","1.085","","","","has coordinates","267133","2021-07-05","17:13:45",""
"7242804","13.9986","0.0005","19.9756","0.0007","10.1006","0.0004","90","","90","","90","","2824.44","0.18","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","damp-cd-bpe-MI-343","","- C45 H62 Cd N14 O19 P2 -","- C45 H50 Cd N14 O19 P2 -","- C90 H100 Cd2 N28 O38 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0626","0.0459","","","0.1151","0.1241","","","","","","1.027","","","","has coordinates,has disorder","267133","2021-07-05","17:13:45",""
"7242810","9.5008","0.0006","10.3315","0.0006","11.4636","0.0007","86.225","0.001","76.084","0.001","67.841","0.001","1011.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","1","0.5","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0637","0.0443","","","0.1162","0.126","","","","","","1.006","","","","has coordinates","265992","2021-06-05","18:20:23",""
"7242811","8.618","0.0011","9.1037","0.0012","13.5328","0.0017","79.294","0.002","72.69","0.002","74.067","0.002","968.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N2 O6 -","- C20 H22 Co N2 O6 -","- C40 H44 Co2 N4 O12 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0442","0.0346","","","0.0904","0.0968","","","","","","1.01","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242812","28.979","0.013","10.115","0.005","17.028","0.008","90","","95.201","0.011","90","","4971","4","296","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Co N4 O7 -","- C29 H23 Co N4 O7 -","- C232 H184 Co8 N32 O56 -","8","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1613","0.0925","","","0.2138","0.2539","","","","","","1.035","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242813","15.6969","0.0008","7.7903","0.0004","31.0089","0.0017","90","","94.603","0.001","90","","3779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co2 N6 O13 -","- C40 H34 Co2 N6 O13 -","- C160 H136 Co8 N24 O52 -","4","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1095","0.0545","","","0.1526","0.1855","","","","","","1.015","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242814","8.641","0.001","14.144","0.0017","17.121","0.002","82.368","0.003","76.967","0.003","73.737","0.003","1951.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Co N4 O8 -","- C36 H30 Co N4 O8 -","- C72 H60 Co2 N8 O16 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0943","0.0574","","","0.146","0.1667","","","","","","0.967","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242815","12.9385","0.0019","15.954","0.002","16.193","0.002","113.997","0.003","101.122","0.003","92.4","0.003","2969.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 Co2 N10 O19 -","- C64 H51 Co2 N10 O19 -","- C128 H102 Co4 N20 O38 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1457","0.0596","","","0.1155","0.1458","","","","","","0.997","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242817","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","267109","2021-07-05","17:07:10",""
"7242818","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","267109","2021-07-05","17:07:10",""
"7242828","6.899","0.0006","9.0065","0.0008","10.5354","0.0009","67.043","0.002","74.813","0.0019","69.918","0.002","559.89","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0697","0.0668","","","0.156","0.16","","","","","","1.031","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242829","7.6854","0.0001","9.3757","0.0002","14.3001","0.0003","78.9336","0.0008","76.5682","0.0008","76.3666","0.0007","963.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0276","0.0243","","","0.0534","0.0549","","","","","","1.003","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242830","4.0202","0.0001","27.092","0.0011","13.0226","0.0005","90","","93.8344","0.001","90","","1415.18","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 F10 I2 N2 -","- C30 H16 F10 I2 N2 -","- C60 H32 F20 I4 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0357","0.0327","","","0.0589","0.0598","","","","","","1.252","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242831","7.42","0.0004","17.8302","0.001","35.8919","0.0019","90","","90","","90","","4748.5","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C192 H128 F24 I24 N16 -","8","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0507","0.0358","","","0.0712","0.0768","","","","","","1.009","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242832","5.511","0.0003","18.5899","0.0011","23.7423","0.0013","90","","90","","90","","2432.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C96 H64 F12 I12 N8 -","4","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0485","0.0317","","","0.0626","0.0706","","","","","","1.01","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242833","7.782","0.0003","33.4952","0.0014","9.1815","0.0004","90","","114.99","0.0011","90","","2169.2","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 F6 I6 N2 -","- C44 H28 F6 I6 N2 -","- C88 H56 F12 I12 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0432","0.0353","","","0.0825","0.0863","","","","","","1.048","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242834","12.3957","0.0005","17.8774","0.0006","13.0708","0.0005","90","","115.915","0.001","90","","2605.26","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 N4 -","- C28 H16 F4 I2 N4 -","- C112 H64 F16 I8 N16 -","4","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.043","0.0335","","","0.0843","0.0908","","","","","","1.023","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242835","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","268690","2021-09-06","10:32:56",""
"7242836","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","268690","2021-09-06","10:32:57",""
"7242837","16.4415","0.0004","11.6143","0.0003","16.8425","0.0004","90","","118.923","0.001","90","","2815.03","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F2 N2 -","- C16 H16 F2 N2 -","- C128 H128 F16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0487","0.0384","","","0.0982","0.1055","","","","","","1.044","","","","has coordinates","267121","2021-07-05","17:10:25",""
"7242838","10.6079","0.0003","42.6839","0.0012","8.2782","0.0002","90","","128.984","0.001","90","","2913.6","0.14","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 Cl2 N2 -","- C15 H14 Cl2 N2 -","- C120 H112 Cl16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.035","0.0339","","","0.09","0.0907","","","","","","1.046","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242839","9.8974","0.0006","9.9742","0.0006","11.0128","0.0007","75.198","0.002","77.861","0.003","63.236","0.002","932.76","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 Cl2 N2 -","- C19 H22 Cl2 N2 -","- C38 H44 Cl4 N4 -","2","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","","0.71073","MoKα","","0.0353","0.033","","","0.0886","0.0904","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242840","16.0655","0.0018","8.3654","0.0009","20.616","0.002","90","","93.309","0.005","90","","2766.1","0.5","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl4 N2 -","- C13 H8 Cl4 N2 -","- C104 H64 Cl32 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0271","0.023","","","0.0581","0.0611","","","","","","1.041","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242841","8.3329","0.0003","8.5627","0.0003","21.7172","0.0007","90","","90","","90","","1549.57","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N2 -","- C16 H16 Cl2 N2 -","- C64 H64 Cl8 N8 -","4","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0339","0.03","","","0.0716","0.0746","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242842","24.677","0.005","21.78","0.005","25.025","0.005","90","0.005","109.5","0.005","90","0.005","12679","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 O15 Zn4 -","- C42 H24 N2 O15 Zn4 -","- C168 H96 N8 O60 Zn16 -","4","1","","Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min","A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection","CrystEngComm","2021","23","21","3901","3906","10.1039/D1CE00331C","","","0.71069","MoKα","","0.1188","0.0578","","","0.1774","0.244","","","","","","0.718","","","","has coordinates","265990","2021-06-05","18:20:03",""
"7242854","5.9222","0.0017","13.176","0.004","26.122","0.008","90","","90","","90","","2038.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0737","0.0467","","","0.0863","0.0917","","","","","","1.036","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242855","7.8376","0.0016","10.864","0.002","24.59","0.005","90","","90","","90","","2093.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O5 S -","- C21 H20 Br N O5 S -","- C84 H80 Br4 N4 O20 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0603","0.0453","","","0.1011","0.1058","","","","","","1.027","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242856","6.4439","0.0003","7.6636","0.0004","20.6198","0.001","90","","95.354","0.004","90","","1013.83","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C42 H40 Br2 N2 O8 S2 -","2","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","x-ray","0.71073","MoKα","","0.0727","0.0683","","","0.1848","0.1911","","","","","","1.028","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242857","11.0865","0.0015","11.0865","0.0015","16.544","0.005","90","","90","","90","","2033.4","0.7","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0715","0.0551","","","0.1202","0.1248","","","","","","1.024","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242858","8.1982","0.0003","11.5358","0.0005","12.9597","0.0006","103.868","0.004","103.308","0.004","107.779","0.004","1070.33","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F Fe N3 O6 -","- C24 H17 F Fe N3 O6 -","- C48 H34 F2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0686","0.0629","","","0.1706","0.1762","","","","","","1.101","","","","has coordinates","267114","2021-07-05","17:08:28",""
"7242859","12.1991","0.0002","9.3756","0.0002","19.0747","0.0004","90","","95.6028","0.0019","90","","2171.22","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Fe I N3 O6 -","- C24 H17 Fe I N3 O6 -","- C96 H68 Fe4 I4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0675","0.0598","","","0.1651","0.1704","","","","","","1.092","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242860","8.2215","0.0002","11.9651","0.0003","12.8982","0.0003","105.94","0.002","105.557","0.002","104.264","0.002","1102.95","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl Fe N3 O6 -","- C24 H17 Cl Fe N3 O6 -","- C48 H34 Cl2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0813","0.0755","","","0.2066","0.2119","","","","","","1.045","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242861","12.2056","0.0001","9.3067","0.0001","18.8067","0.0002","90","","94.801","0.001","90","","2128.83","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br Fe N3 O6 -","- C24 H17 Br Fe N3 O6 -","- C96 H68 Br4 Fe4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0489","0.0457","","","0.1206","0.1237","","","","","","1.056","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242862","22.6762","0.0012","24.9574","0.0012","32.1099","0.0016","90","","90","","90","","18172.2","1.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C460 H292 Cl28 Co56 N160 O72 S48 -","4","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0644","0.0435","","","0.1087","0.119","","","","","","0.984","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242863","19.899","0.003","18.907","0.003","25.949","0.004","90","","90","","90","","9763","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H36 Cl Co4 N11 O10 S4 -","- C41 H36 Cl Co4 N11 O10 S4 -","- C328 H288 Cl8 Co32 N88 O80 S32 -","8","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0574","0.0348","","","0.0666","0.0742","","","","","","1.035","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242864","25.8926","0.0009","25.8926","0.0009","18.9542","0.0007","90","","90","","120","","11004.9","0.7","150","2","150","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C216 H132 Cl8 Co28 N60 O50 S24 -","2","0.166667","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.067","0.0523","","","0.1342","0.1484","","","","","","1.056","","","","has coordinates,has disorder","267103","2021-07-05","17:05:47",""
"7242865","15.8696","0.0018","18.177","0.002","33.267","0.004","96.052","0.004","95.278","0.004","108.469","0.003","8970.9","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H88 Co14 N30 O31 S12 -","- C116 H81 Co14 N30 O31 S12 -","- C232 H162 Co28 N60 O62 S24 -","2","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.1029","0.0623","","","0.163","0.1824","","","","","","0.968","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242874","9.4388","0.00002","3.71","0.000014","15.0549","0.00003","90","","104.552","0.003","90","","510.279","0.007","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.71073","MoKα","","0.0266","0.026","","0.0666","0.066","0.0666","","","","","","0.9909","","","","has coordinates","267123","2021-07-05","17:10:49",""
"7242875","9.28","0.01","3.3957","0.0003","14.64","0.003","90","","104.34","0.05","90","","447","0.5","293","","293","","","","2110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.049","0.0396","","0.1103","0.1041","0.1103","","","","","","1.0345","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242876","9.191","0.012","3.3508","0.0004","14.562","0.003","90","","104.44","0.06","90","","434.3","0.6","293","","293","","","","2910000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.093","0.0707","","0.2935","0.2252","0.1772","","","","","","0.9887","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242877","9.327","0.01","3.462","0.0003","14.734","0.003","90","","104.37","0.05","90","","460.9","0.5","293","","293","","","","1300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0534","0.0423","","0.1951","0.1669","0.0938","","","","","","1.0109","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242878","9.348","0.013","3.5161","0.0004","14.834","0.003","90","","104.56","0.07","90","","471.9","0.7","293","","293","","","","940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0781","0.0702","","0.2023","0.1853","0.2023","","","","","","1.0951","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242879","9.409","0.011","3.6033","0.0003","14.945","0.003","90","","104.55","0.06","90","","490.4","0.6","293","","293","","","","330000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0811","0.0676","","0.6141","0.3208","0.1568","","","","","","0.9877","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242880","9.084","0.016","3.3013","0.0005","14.495","0.004","90","","104.62","0.08","90","","420.6","0.8","293","","293","","","","3940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.078","0.0626","","0.2217","0.1978","0.1312","","","","","","0.8998","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242881","9.323","0.011","3.4191","0.0004","14.678","0.003","90","","104.31","0.06","90","","453.4","0.6","293","","293","","","","1760000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0458","0.0359","","0.1147","0.1103","0.0571","","","","","","1.0008","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242882","9.24","0.012","3.371","0.0004","14.596","0.003","90","","104.46","0.06","90","","440.2","0.6","293","","293","","","","2540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0717","0.0488","","0.1445","0.1346","0.0944","","","","","","1.0084","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242883","9.07","0.02","3.268","0.0007","14.418","0.006","90","","104.63","0.11","90","","413.5","1","293","","293","","","","4560000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0768","0.0593","","0.1853","0.1598","0.1725","","","","","","1.0051","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242884","14.4874","0.0009","14.58","0.0009","22.5228","0.0015","103.963","0.003","91.48","0.003","116.861","0.003","4068.4","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H67 N Ni2 O28 Ti4 -","- C82 H67 N Ni2 O28 Ti4 -","- C164 H134 N2 Ni4 O56 Ti8 -","2","1","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","","0.71073","MoKα","","0.0934","0.0557","","","0.1464","0.1753","","","","","","1.008","","","","has coordinates","267106","2021-07-05","17:06:36",""
"7242885","13.2237","0.0002","15.5692","0.0002","30.2206","0.0004","78.592","0.001","79.325","0.001","71.855","0.001","5744.39","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","1","0.5","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","x-ray","1.54184","CuKα","","0.0527","0.0485","","","0.1356","0.1401","","","","","","1.066","","","","has coordinates,has disorder","267106","2021-07-05","17:06:37",""
"7242890","5.9524","0.0006","10.0773","0.0009","17.1337","0.0014","90","","90","","90","","1027.75","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1707","0.0714","","","0.1529","0.2228","","","","","","0.839","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242891","7.517","0.0005","12.5737","0.001","15.5867","0.001","89.941","0.006","77.478","0.005","75.976","0.006","1393.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N3 O2 -","- C13 H16 Cl N3 O2 -","- C52 H64 Cl4 N12 O8 -","4","2","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.165","0.0617","","","0.0943","0.1278","","","","","","0.975","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242892","8.7727","0.0004","10.1439","0.0005","16.8688","0.0009","100.796","0.004","93.143","0.004","112.422","0.004","1349.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl4 N6 O Zn -","- C26 H26 Cl4 N6 O Zn -","- C52 H52 Cl8 N12 O2 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1049","0.0636","","","0.0884","0.1033","","","","","","1.072","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242893","12.1724","0.0001","9.6326","0.0003","6.7045","0.0001","104.858","0.0003","104.436","0.0001","85.7581","0.0001","735.8","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl3 N3 Zn -","- C13 H12 Cl3 N3 Zn -","- C26 H24 Cl6 N6 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0089","1.29098","","","","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242894","7.144","0.008","12.849","0.017","15.65","0.02","75.61","0.03","83.28","0.03","83.22","0.03","1376","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Co N5 O10 S -","- C23 H33 Co N5 O10 S -","- C46 H66 Co2 N10 O20 S2 -","2","1","","Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin","A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+","CrystEngComm","2021","23","24","4370","4381","10.1039/D1CE00404B","","","0.71073","MoKα","","0.1043","0.0528","","","0.0979","0.1131","","","","","","1.011","","","","has coordinates","267104","2021-07-05","17:05:54",""
"7242895","6.8212","0.0003","13.3401","0.0005","18.5886","0.0007","80.8654","0.0017","89.4342","0.0017","81.6705","0.0016","1652.26","0.11","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","4","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0663","0.0574","","","0.1321","0.1396","","","","","","1.191","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242896","6.8504","0.0008","10.7265","0.0013","12.3293","0.0015","107.962","0.004","95.521","0.004","95.436","0.004","850.38","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","7-methoxycoumarin","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.1105","0.0708","","","0.1792","0.2183","","","","","","1.115","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242897","6.8137","0.0003","10.6684","0.0005","12.4313","0.0006","108.189","0.0015","95.2297","0.0015","95.2045","0.0015","848.11","0.07","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0868","0.0627","","","0.1386","0.1625","","","","","","1.114","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242898","14.6312","0.0007","12.0469","0.0006","18.6651","0.001","90","","90","","90","","3289.9","0.3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C160 H128 O48 -","8","1","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0535","0.0511","","","0.1336","0.1368","","","","","","1.305","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242899","10.3129","0.0004","16.4452","0.0006","14.8941","0.0005","90","","103.446","0.002","90","","2456.77","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Na3.8 O45 Ru2 W8 -","- C12 H12 Na3.8 O45 Ru2 W8 -","- C24 H24 Na7.6 O90 Ru4 W16 -","2","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.1002","0.0513","","","0.112","0.1285","","","","","","0.948","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242900","25.8211","0.0011","16.9966","0.0007","17.3342","0.0007","90","","127.743","0.001","90","","6015.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na6 O52 Ru2 W8 -","- C12 H12 Na6 O52 Ru2 W8 -","- C48 H48 Na24 O208 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0784","0.0812","","","","","","1.032","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242901","20.5086","0.0008","17.1615","0.0007","17.3902","0.0008","90","","93.08","0.004","90","","6111.8","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H54 Na4 O48.95 Ru2 W8 -","- C12 H12 Na4 O48.95 Ru2 W8 -","- C48 H48 Na16 O195.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0499","0.0372","","","0.091","0.0966","","","","","","1.061","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242902","24.1881","0.0007","18.2571","0.0006","16.5476","0.0006","90","","125.354","0.001","90","","5959.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C48 H48 Na2 O154.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0926","0.0532","","","0.1379","0.1518","","","","","","1.045","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242903","25.5718","0.0004","17.0393","0.0003","17.3183","0.0003","90","","127.656","0.001","90","","5974.14","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C48 H48 Na16.8 O217.6 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0578","0.0396","","","0.082","0.089","","","","","","1.07","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242904","41.592","0.007","16.437","0.003","14.21","0.003","90","","90.489","0.011","90","","9714","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 N4 O13 Zn2 -","- C50 H36 N4 O13 Zn2 -","- C400 H288 N32 O104 Zn16 -","8","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0749","0.043","","","0.1262","0.1431","","","","","","1.004","","","","has coordinates,has disorder","267122","2021-07-05","17:10:40",""
"7242905","14.2507","0.0004","19.6734","0.0007","16.6986","0.0005","90","","98.1584","0.0018","90","","4634.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cd2 N4 O12 -","- C52 H40 Cd2 N4 O12 -","- C208 H160 Cd8 N16 O48 -","4","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0565","0.0396","","","0.0985","0.1067","","","","","","1.037","","","","has coordinates","267122","2021-07-05","17:10:40",""
"7242907","13.0012","0.0007","20.168","0.0008","38.2835","0.0016","90","","93.6201","0.0018","90","","10018.2","0.8","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C108 H156 Cl8 K40 N54 O256 V96 -","4","1","","Greiner, Simon; Anjass, Montaha; Streb, Carsten","Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework","CrystEngComm","2021","23","22","3946","3950","10.1039/D1CE00661D","","","0.71073","MoKα","","0.1005","0.0792","","","0.1389","0.1469","","","","","","1.156","","","","has coordinates","267111","2021-07-05","17:08:02",""
"7242918","23.6033","0.0008","23.6033","0.0008","23.6033","0.0008","90","","90","","90","","13149.8","0.8","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C60 H36 Co4 F3 N15 O10 S -","- C60 H36 Co4 F3 N15 O10 S -","- C240 H144 Co16 F12 N60 O40 S4 -","4","0.333333","","Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun","A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones","CrystEngComm","2021","23","26","4667","4673","10.1039/D1CE00545F","","","0.71073","MoKα","","0.0611","0.0394","","","0.0842","0.0908","","","","","","1.002","","","","has coordinates","268658","2021-09-06","10:26:12",""
"7242919","17.196","0.003","14.198","0.003","13.203","0.003","90","","90.97","0.03","90","","3223","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Dy Fe N14 O9 -","- C24 H23 B Dy Fe N14 O9 -","- C96 H92 B4 Dy4 Fe4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0571","0.0494","","","0.1332","0.138","","","","","","1.067","","","","has coordinates,has disorder","268662","2021-09-06","10:26:42",""
"7242920","17.194","0.003","14.188","0.003","13.177","0.003","90","","90.93","0.03","90","","3214.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Ho N14 O9 -","- C24 H23 B Fe Ho N14 O9 -","- C96 H92 B4 Fe4 Ho4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","Mokα","","0.0484","0.0402","","","0.1016","0.1059","","","","","","1.05","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242921","17.221","0.003","14.199","0.003","13.197","0.003","90","","90.93","0.03","90","","3226.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe N14 O9 Tb -","- C24 H23 B Fe N14 O9 Tb -","- C96 H92 B4 Fe4 N56 O36 Tb4 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0611","0.0526","","","0.1475","0.1543","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242922","17.244","0.003","14.193","0.003","13.216","0.003","90","","90.93","0.03","90","","3234.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Gd N14 O9 -","- C24 H23 B Fe Gd N14 O9 -","- C96 H92 B4 Fe4 Gd4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0672","0.0617","","","0.1673","0.171","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242926","6.6598","0.0004","10.7886","0.0006","19.2106","0.0008","96.432","0.002","98.294","0.002","107.416","0.002","1285.5","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd Cl N6 O11 -","- C26 H16 Cd Cl N6 O11 -","- C52 H32 Cd2 Cl2 N12 O22 -","2","1","","Zhang, Guoshuai; Fu, Chen; Zhang, Heyi; Zhang, Hong","A multifunctional colorimetric sensor originating from a cadmium naphthalene diimide-based metal‒organic framework: photochromism, hydrochromism, and vapochromism","CrystEngComm","2021","23","25","4513","4521","10.1039/D1CE00352F","","","0.71073","MoKα","","0.0329","0.0268","","","0.0664","0.0693","","","","","","1.084","","","","has coordinates","267126","2021-07-05","17:11:18",""
"7242927","8.6981","0.0005","12.6447","0.0006","12.8788","0.0007","81.679","0.004","77.685","0.004","78.768","0.004","1349.48","0.13","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8-(dimethylamino)-4,5-diphenylnaphthalen-1-yl)-","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0798","0.0522","","","0.1104","0.1233","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242928","10.7625","0.0005","32.3176","0.001","8.613","0.0003","90","","98.945","0.004","90","","2959.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclopentan-1,3-acenaphth[5,6-bc]azepine]-2,5-dione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1484","0.104","","","0.1877","0.2072","","","","","","1.15","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242929","8.4109","0.0002","9.6735","0.0003","17.0655","0.0005","90","","90.496","0.002","90","","1388.45","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5-diiodo-9,9-dimethyl-9H-fluorene","","- C15 H12 I2 -","- C15 H12 I2 -","- C60 H48 I8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0366","0.0289","","","0.0613","0.0646","","","","","","1.05","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242930","10.4257","0.0003","8.8243","0.0003","18.7805","0.0007","90","","101.546","0.003","90","","1692.83","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[1,3-dioxane-5,3-acenaphth[5,6-bc]azepine]-4,6-dione","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0764","0.0552","","","0.1024","0.1132","","","","","","1.094","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242931","8.7457","0.0005","9.3638","0.0007","11.2739","0.0007","108.887","0.006","91.171","0.005","113.671","0.006","787.91","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(6-(dimethylamino)-1,2-dihydroacenaphthylen-5-yl)propenoate,","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0683","0.0506","","","0.1229","0.136","","","","","","1.058","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242932","10.9539","0.0003","9.5493","0.0003","19.3902","0.0006","90","","104.652","0.003","90","","1962.3","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,2,8,8-Pentamethyl-1,2,3,4-tetrahydro-8H-spiro[1,3-dioxane-5,3-fluoreno[4,5-bcd]azocine]-4,6-dione","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0681","0.051","","","0.103","0.1109","","","","","","1.057","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242933","15.2738","0.0006","10.3218","0.0004","10.2175","0.0003","90","","93.356","0.003","90","","1608.06","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclohexan-1,3-acenaphth[5,6-bc]azepine]-2,6-dione","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0695","0.0514","","","0.1004","0.1111","","","","","","1.084","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242934","9.1836","0.0006","9.4806","0.0005","13.2584","0.0008","90","","99.767","0.007","90","","1137.62","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Dimethylamino-1,2-dihydroacenaphthylene-5-carbaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0607","0.0487","","","0.1057","0.1119","","","","","","1.067","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242935","9.7431","0.0003","6.9459","0.0002","12.1403","0.0004","90","","105.257","0.004","90","","792.63","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitro-1,2,3,4-tetrahydro-1,8,8-trimethyl-8H-fluoreno[4,5-bcd]azocine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.052","0.0462","","","0.0935","0.0961","","","","","","1.077","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242936","24.7956","0.0001","24.7956","0.0001","9.4744","0.0001","90","","90","","90","","5825.07","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4-(dimethylamino)-9,9-dimethyl-9H-fluorene-5-carbaldehyde","","- C18 H19 N O -","- C18 H19 N O -","- C288 H304 N16 O16 -","16","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0322","0.0314","","","0.0797","0.0803","","","","","","1.072","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242937","18.4256","0.0004","11.2921","0.0003","16.4939","0.0004","90","","99.223","0.002","90","","3387.42","0.14","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","2-cyano-2-((4-(dimethylamino)-9,9-dimethyl-9H-fluoren-5-yl) propenenitrile","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0605","0.0478","","","0.1108","0.1188","","","","","","1.042","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242938","10.6932","0.0003","8.4601","0.0003","25.0272","0.0008","90","","101.328","0.003","90","","2219.99","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyano-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-methoxycarbonyl-methanide","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0459","0.0399","","","0.1027","0.1067","","","","","","1.026","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242939","22.0584","0.0007","9.7183","0.0002","16.5596","0.0004","90","","99.142","0.003","90","","3504.79","0.16","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Dimethylamino-4,5-diphenylnaphthalene","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","","0.71073","MoKα","","0.0746","0.0476","","","0.1015","0.1137","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242940","9.8042","0.0002","15.4073","0.0004","52.7317","0.0011","90","","90","","90","","7965.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N-Bis(4,5-diphenyl-8-dimethylaminonaphth-1-methylidene)-1,2-ethanediamine,","","- C52 H46 N4 -","- C52 H46 N4 -","- C416 H368 N32 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0752","0.0524","","","0.1278","0.1423","","","","","","1.024","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242941","19.4622","0.0012","9.934","0.0008","29.6756","0.0015","90","","93.325","0.005","90","","5727.7","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6-dioxocyclohexan-1-ide","","- C32 H28 Cl3 N O2 -","- C32 H28 Cl3 N O2 -","- C256 H224 Cl24 N8 O16 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1795","0.0805","","","0.1354","0.1734","","","","","","1.018","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242942","12.6676","0.0005","9.9541","0.0003","15.1783","0.0006","90","","108.164","0.004","90","","1818.53","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dimethylamino-4,5-diphenylnaphthalene-8-carbaldehyde","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0799","0.0721","","","0.1891","0.1953","","","","","","1.082","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242943","6.0395","0.0003","13.8019","0.0008","14.6137","0.0009","67.4","0.005","86.108","0.004","81.742","0.004","1112.84","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium monomalonate,","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C56 H50 N2 O10 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1127","0.0644","","","0.1326","0.1563","","","","","","1.038","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242944","6.1138","0.0003","11.1707","0.0005","33.835","0.0017","90","","90","","90","","2310.78","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C26 H24 Cl3 N O -","- C26 H24 Cl3 N O -","- C104 H96 Cl12 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0918","0.0594","","","0.1074","0.1217","","","","","","1.023","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242949","10.269","0.005","16.787","0.008","20.919","0.008","90","","90","","90","","3606","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cu2 N10 O5 Zn -","- C34 H42 Cu2 N10 O5 Zn -","- C136 H168 Cu8 N40 O20 Zn4 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0533","0.0486","","","0.1272","0.1302","","","","","","1.121","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242950","19.337","0.008","20.605","0.008","21.248","0.009","90","","115.62","0.005","90","","7634","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cu2 N10 O4 Zn -","- C36 H44 Cu2 N10 O4 Zn -","- C288 H352 Cu16 N80 O32 Zn8 -","8","2","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0991","0.057","","","0.1469","0.182","","","","","","1.049","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7242951","13.0155","0.0007","13.2744","0.0007","4.9013","0.0002","90","","90","","90","","846.81","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H16 Cl2 N2 O8 -","- C13 H16 Cl2 N2 O8 -","- C26 H32 Cl4 N4 O16 -","2","0.5","","Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao","Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal","CrystEngComm","2021","23","31","5306","5313","10.1039/D1CE00680K","","","0.71073","MoKα","","0.0766","0.0657","","","0.197","0.212","","","","","","1.182","","","","has coordinates","268672","2021-09-06","10:29:18",""
"7242953","8.9676","0.0005","8.9772","0.0004","11.5304","0.0006","76.582","0.002","77.282","0.002","85.623","0.002","880.44","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C22 H19 O4 -","- C22 H19 O4 -","- C44 H38 O8 -","2","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0483","0.038","","","0.0939","0.1005","","","","","","1.042","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242954","21.1712","0.0015","15.3453","0.0008","11.4218","0.0008","90","","90","","90","","3710.7","0.4","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dimethyl-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate 1,4-xylene","","- C22.67 H21.33 O4 -","- C22.6664 H21.333 O4 -","- C181.331 H170.664 O32 -","8","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0714","0.053","","","0.1441","0.1601","","","","","","1.022","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242955","14.155","0.002","10.243","0.016","14.822","0.002","90","","114.922","0.015","90","","1949","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 Cu2 F6 N2 O6 -","- C45 H27 Cu2 F6 N2 O6 -","- C90 H54 Cu4 F12 N4 O12 -","2","0.5","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.158","0.0891","","","0.2046","0.2562","","","","","","1.033","","","","has coordinates","267101","2021-07-05","17:04:27",""
"7242956","8.3115","0.0012","12.3766","0.0018","14.844","0.002","68.362","0.005","86.264","0.006","81.552","0.006","1403.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu F6 O5 S -","- C30 H22 Cu F6 O5 S -","- C60 H44 Cu2 F12 O10 S2 -","2","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.0928","0.0618","","","0.1359","0.1504","","","","","","1.004","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242957","11.688","0.002","15.619","0.003","12.799","0.003","90","","107.847","0.008","90","","2224.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cu F3 N O5 -","- C25 H18 Cu F3 N O5 -","- C100 H72 Cu4 F12 N4 O20 -","4","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71073","MoKα","","0.0614","0.0464","","","0.1135","0.1233","","","","","","1.045","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242958","13.1512","0.0005","13.1512","0.0005","4.3773","0.0003","90","","90","","90","","757.07","0.07","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag N5 O3 S2 -","- C10 H16 Ag N5 O3 S2 -","- C20 H32 Ag2 N10 O6 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0373","0.0284","","","0.0532","0.058","","","","","","1.044","","","","has coordinates,has disorder","268643","2021-09-06","10:23:04",""
"7242959","13.1198","0.0003","13.1198","0.0003","4.686","0.0002","90","","90","","90","","806.6","0.04","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag Cl N4 O4 S2 -","- C10 H16 Ag Cl N4 O4 S2 -","- C20 H32 Ag2 Cl2 N8 O8 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0295","0.026","","","0.0639","0.0666","","","","","","1.038","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242960","12.6128","0.0003","13.1579","0.0003","16.1737","0.0003","90","","90","","90","","2684.15","0.1","293","2","293","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C72 H96 Ag6 Cl6 N48 O24 -","4","0.5","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0369","0.0303","","","0.0864","0.0951","","","","","","1.052","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242961","6.6706","0.0004","10.5894","0.0009","13.5484","0.0011","91.104","0.007","99.965","0.005","103.416","0.006","915.1","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ag N9 O4 -","- C12 H18 Ag N9 O4 -","- C24 H36 Ag2 N18 O8 -","2","1","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0528","0.0425","","","0.0978","0.1048","","","","","","1.096","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242971","10.7505","0.0004","10.132","0.0004","18.7022","0.0008","90","","103.122","0.004","90","","1983.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Amantadine ferulate isopropanol solvate","1-Adamantylammonium 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid propan-2-ol","","- C21.5 H31 N O4.5 -","- C21.5 H31 N O4.5 -","- C86 H124 N4 O18 -","4","1","","Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy","CrystEngComm","2021","23","24","4389","4401","10.1039/D1CE00382H","","","1.54184","CuKα","","0.0456","0.0396","","","0.1001","0.1058","","","","","","1.029","","","","has coordinates,has disorder","267098","2021-07-05","17:03:56",""
"7242972","10.7535","0.0007","8.9587","0.0006","27.8995","0.0019","90","","96.321","0.001","90","","2671.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 N6 O6 -","- C33 H19 N6 O6 -","- C132 H76 N24 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.1367","0.0578","","","0.1396","0.1774","","","","","","0.995","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242973","8.9598","0.0005","21.9155","0.0011","9.5862","0.0005","90","","116.711","0.001","90","","1681.46","0.15","293","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I3 N O6 -","- C14 H7 I3 N O6 -","- C56 H28 I12 N4 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.039","0.0341","","","0.0843","0.0866","","","","","","1.076","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242974","14.811","0.006","9.023","0.004","24.11","0.01","90","","106.673","0.007","90","","3087","2","293","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 I2 N O6 -","- C14 H8 I2 N O6 -","- C112 H64 I16 N8 O48 -","8","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.0637","0.0375","","","0.0799","0.0891","","","","","","1.03","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242975","11.7416","0.0007","12.0658","0.001","15.0919","0.001","113.393","0.007","98.517","0.005","103.527","0.006","1837","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0829","0.0392","","","0.0804","0.0894","","","","","","0.846","","","","has coordinates,has disorder","268641","2021-09-06","10:22:32",""
"7242976","7.664","0.006","10.486","0.008","15.09","0.009","74.09","0.019","87.76","0.03","69.95","0.02","1093.5","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C38 H58 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.1965","0.1455","","","0.4064","0.4386","","","","","","1.045","","","","has coordinates","268641","2021-09-06","10:22:35",""
"7242977","13.4328","0.0006","16.8984","0.0008","9.2577","0.0004","90","","96.591","0.002","90","","2087.54","0.16","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C76 H116 F8 N12 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0499","0.0348","","","0.0999","0.1138","","","","","","0.987","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242978","9.295","0.005","14.527","0.005","11.722","0.005","90","","109.33","0.06","90","","1493.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","","- C26 H32 F6 N6 O6 -","- C26 F6 N6 O6 -","- C52 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","1.54184","CuKα","","0.4752","0.4081","","","0.7372","0.7727","","","","","","2.392","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242979","13.9801","0.0016","15.5918","0.0017","3.6651","0.0004","90","","90","","90","","798.9","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-diamino-3,5,6-trifluorobenzonitrile hydrate","","- C7 H4 F3 N3 O0.5 -","- C7 H4 F3 N3 O0.5 -","- C28 H16 F12 N12 O2 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0608","0.0455","","","0.1384","0.1564","","","","","","1.009","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242980","27.0089","0.0013","10.124","0.0005","17.2092","0.0007","90","","97.123","0.002","90","","4669.3","0.4","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,6-diamino-4-chloro-3-fluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 Cl F N3 O6 -","- C19 H29 Cl F N3 O6 -","- C152 H232 Cl8 F8 N24 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.118","0.0815","","","0.2553","0.2998","","","","","","0.953","","","","has coordinates,has disorder","268641","2021-09-06","10:22:41",""
"7242981","7.1619","0.0005","7.5769","0.0006","7.6716","0.0005","107.27","0.004","100.818","0.003","107.844","0.003","360.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile","","- C7 H5 F2 N3 -","- C7 H5 F2 N3 -","- C14 H10 F4 N6 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0609","0.0448","","","0.1338","0.1506","","","","","","1.087","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242982","7.3003","0.0011","9.7706","0.0014","16.622","0.002","89.928","0.005","89.964","0.005","75.875","0.004","1149.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","2,6-diamino-4-chloro-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H28 Cl F2 N3 O6 -","- C19 H28 Cl F2 N3 O6 -","- C38 H56 Cl2 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0463","0.0355","","","0.078","0.0843","","","","","","0.972","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242983","6.1089","0.0002","9.6567","0.0005","15.8773","0.0006","87.008","0.004","88.263","0.003","88.159","0.003","934.49","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0659","0.0555","","","0.1551","0.1754","","","","","","1.011","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242984","7.5775","0.0009","7.9456","0.0008","16.2096","0.0013","103.927","0.008","96.226","0.008","104.186","0.01","903.71","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","0.71073","MoKα","","0.1124","0.0547","","","0.1284","0.1571","","","","","","0.998","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242985","10.0941","0.0002","10.1582","0.0002","10.8283","0.0003","63.183","0.002","70.379","0.002","80.704","0.002","933.3","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0466","0.042","","","0.1241","0.1289","","","","","","1.073","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242986","10.0975","0.0003","10.1452","0.0004","10.8422","0.0005","63.157","0.004","70.317","0.003","80.642","0.003","933.03","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0556","0.0452","","","0.1278","0.1359","","","","","","1.082","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242987","11.7117","0.0014","12.099","0.0013","11.7979","0.0013","90","","103.17","0.012","90","","1627.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Co1.2 Ni1.8 O10 -","- C16 H8 Co1.2 Ni1.8 O10 -","- C64 H32 Co4.8 Ni7.2 O40 -","4","1","","Yu, Bin-Bin; Hua, Yi-Wei; Huang, Qi; Ye, Si-Yuan; Zhang, Hao-Dong; Yan, Zheng; Li, Rui-Wen; Wu, Jun; Meng, Yan; Cao, Xuebo","Two-dimensional stable and ultrathin cluster-based metal‒organic layers for efficient electrocatalytic water oxidation","CrystEngComm","2021","23","26","4700","4707","10.1039/D1CE00350J","","x-ray","1.54184","CuKα","","0.1264","0.0866","","","0.2141","0.255","","","","","","1.001","","","","has coordinates,has disorder","268661","2021-09-06","10:26:32",""
"7242988","9.4088","0.0007","12.5525","0.0009","15.2532","0.0011","71.5265","0.0015","77.3805","0.0015","71.2592","0.0015","1604.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Br2 N O2 -","- C37 H31 Br2 N O2 -","- C74 H62 Br4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.0576","0.0489","","","0.1378","0.1451","","","","","","1.044","","","","has coordinates,has disorder","268683","2021-09-06","10:31:40",""
"7242989","10.864","0.004","12.004","0.004","14.739","0.005","99.378","0.01","91.705","0.01","91.595","0.01","1894.6","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 B I2 N O -","- C45 H32 B I2 N O -","- C90 H64 B2 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1126","0.0557","","","0.1352","0.1629","","","","","","1.024","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242990","6.0896","0.0004","9.3799","0.0006","24.4891","0.0015","84.352","0.002","86.909","0.002","87.232","0.002","1388.7","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B Cl2 F2 N O -","- C33 H22 B Cl2 F2 N O -","- C66 H44 B2 Cl4 F4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1301","0.0613","","","0.1016","0.1212","","","","","","1.018","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242991","6.2357","0.0003","9.7731","0.0004","24.6541","0.001","79.707","0.001","88.857","0.002","85.753","0.002","1474.2","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B F2 I2 N O -","- C33 H22 B F2 I2 N O -","- C66 H44 B2 F4 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.7288","synchrotron","","0.0343","0.0305","","","0.0604","0.0634","","","","","","1.151","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242992","9.33","0.003","12.726","0.003","15.427","0.003","72.271","0.01","76.816","0.012","70.156","0.01","1625.1","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 I2 N O2 -","- C36 H29 I2 N O2 -","- C72 H58 I4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","1.54178","CuKα","","0.0664","0.0495","","","0.1183","0.1304","","","","","","1.044","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242993","15.498","0.002","7.0467","0.001","9.0692","0.0015","90","","104.821","0.016","90","","957.5","0.3","190","0.1","190","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0974","0.0784","","","0.1941","0.2021","","","","","","1.142","","","","has coordinates,has disorder","267120","2021-07-05","17:10:10",""
"7242994","15.5861","0.0009","7.0608","0.0004","9.0691","0.0006","90","","105.198","0.007","90","","963.15","0.11","210.05","0.1","210.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0484","0.0385","","","0.1083","0.1145","","","","","","1.08","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242995","15.6639","0.0012","7.0936","0.0006","9.0904","0.0009","90","","105.663","0.009","90","","972.56","0.15","250.05","0.1","250.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0506","0.0369","","","0.1034","0.1118","","","","","","1.037","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242996","15.6931","0.0011","7.111","0.0005","9.0908","0.0008","90","","105.856","0.008","90","","975.88","0.14","270.06","0.1","270.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0528","0.0375","","","0.1057","0.1151","","","","","","1.038","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242997","15.6264","0.0011","7.0823","0.0005","9.0843","0.0007","90","","105.399","0.008","90","","969.27","0.13","230.06","0.1","230.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0482","0.037","","","0.1056","0.1129","","","","","","1.033","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242998","15.7226","0.0013","7.1311","0.0006","9.0875","0.001","90","","106.081","0.01","90","","979.02","0.17","290.06","0.11","290.06","0.11","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0565","0.0375","","","0.1061","0.1174","","","","","","1.026","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242999","5.6685","0.00005","7.45207","0.00006","23.56855","0.00019","90","","90","","90","","995.584","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0296","0.0289","","","0.0794","0.08","","","","","","1.08","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243000","5.7302","0.001","7.415","0.0011","23.579","0.003","90","","90","","90","","1001.9","0.3","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0672","0.0599","","","0.1639","0.1743","","","","","","1.078","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243001","5.67404","0.00005","7.47072","0.00006","23.5754","0.0002","90","","90","","90","","999.341","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0317","0.0306","","","0.0828","0.0838","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243002","5.8323","0.0008","7.3764","0.0007","23.496","0.003","90","","90","","90","","1010.8","0.2","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.1002","0.0825","","","0.2012","0.2313","","","","","","1.046","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243003","5.86556","0.00007","7.46244","0.00009","23.3965","0.0003","90","","90","","90","","1024.1","0.02","290","2","290.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0371","0.0332","","","0.0928","0.0962","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243004","5.85572","0.00006","7.39661","0.00007","23.4514","0.0002","90","","90","","90","","1015.74","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0309","0.0294","","","0.0786","0.0799","","","","","","1.046","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243005","5.8614","0.00006","7.42624","0.00008","23.428","0.0003","90","","90","","90","","1019.78","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0817","0.0842","","","","","","1.049","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243006","5.8501","0.00006","7.36978","0.00007","23.4676","0.0002","90","","90","","90","","1011.78","0.017","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0297","0.0282","","","0.075","0.0764","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243007","5.85038","0.00008","7.371","0.00011","23.4704","0.0003","90","","90","","90","","1012.12","0.02","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0284","0.0273","","","0.0728","0.0737","","","","","","1.082","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243008","5.83741","0.00005","7.3243","0.00006","23.48978","0.00019","90","","90","","90","","1004.3","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0283","0.0274","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243009","5.8556","0.0005","7.4394","0.0006","23.4466","0.0018","90","","90","","90","","1021.38","0.14","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0356","0.0319","","","0.087","0.089","","","","","","1.051","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243010","5.82153","0.00008","7.2732","0.00013","23.5087","0.0003","90","","90","","90","","995.39","0.03","130","2","129.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0752","0.076","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243011","5.84375","0.00005","7.34622","0.00006","23.48048","0.0002","90","","90","","90","","1008.01","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0734","0.0742","","","","","","1.073","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243012","5.7261","0.0001","7.5472","0.0001","23.5464","0.0004","90","","90","","90","","1017.58","0.03","290","2","289.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0346","0.0311","","","0.0859","0.0887","","","","","","1.056","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243013","5.81332","0.00008","7.24959","0.00014","23.5153","0.0004","90","","90","","90","","991.03","0.03","100","2","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0325","0.0314","","","0.0859","0.0869","","","","","","1.076","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243014","5.83819","0.00007","7.32399","0.00009","23.4915","0.0003","90","","90","","90","","1004.47","0.02","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0267","0.0258","","","0.0674","0.0679","","","","","","1.047","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243015","5.86137","0.00006","7.42616","0.00008","23.4265","0.0003","90","","90","","90","","1019.7","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0836","0.0861","","","","","","1.043","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243016","5.84449","0.00008","7.34651","0.0001","23.4842","0.0003","90","","90","","90","","1008.33","0.02","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0281","0.0269","","","0.0692","0.07","","","","","","1.055","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243017","5.85593","0.00008","7.39741","0.00011","23.4532","0.0003","90","","90","","90","","1015.96","0.02","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0292","0.0274","","","0.0718","0.0732","","","","","","1.081","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243018","5.83221","0.00008","7.30484","0.00011","23.5004","0.0003","90","","90","","90","","1001.2","0.02","170","2","169.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.028","0.027","","","0.0686","0.0693","","","","","","1.083","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243019","5.85561","0.00006","7.3967","0.00007","23.4494","0.0002","90","","90","","90","","1015.65","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0316","0.0299","","","0.0818","0.0834","","","","","","1.058","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243020","5.82676","0.00008","7.28832","0.00012","23.5058","0.0003","90","","90","","90","","998.23","0.02","150","2","149.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0279","0.027","","","0.0702","0.0708","","","","","","1.066","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243021","8.8064","0.0014","26.14","0.004","8.8642","0.0015","90","","94.291","0.005","90","","2034.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C64 H48 Cl8 Cu4 N8 O36 S4 -","2","0.5","","Thakur, Snehasish; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex","CrystEngComm","2021","23","29","5087","5096","10.1039/D1CE00624J","","","0.71073","MoKα","","0.0478","0.0431","","","0.1254","0.1303","","","","","","0.925","","","","has coordinates","268633","2021-09-06","10:18:59",""
"7243022","7.3163","0.0002","12.5322","0.0004","22.0934","0.0003","99.217","0.002","97.693","0.002","94.038","0.002","1972.82","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10.33 H7.33 Cl4 N2 O0.33 Pt -","- C10.3333 H7.33333 Cl4 N2 O0.333333 Pt -","- C62 H44 Cl24 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0991","0.105","","","","","","1.065","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243023","4.205","0.0001","15.1349","0.0004","11.8849","0.0004","90","","92.547","0.003","90","","755.63","0.04","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl4 N3 Pt -","- C12 H9 Cl4 N3 Pt -","- C24 H18 Cl8 N6 Pt2 -","2","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0635","0.0605","","","0.1702","0.1723","","","","","","1.093","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243024","17.5085","0.0002","6.8605","0.0001","14.2988","0.0002","90","","94.738","0.001","90","","1711.66","0.04","150","","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Br2 Cl2 N2 O Pt -","- C13 H12 Br2 Cl2 N2 O Pt -","- C52 H48 Br8 Cl8 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.1079","0.1093","","","","","","1.075","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243025","17.3962","0.0004","6.7242","0.0001","14.1075","0.0003","90","","93.761","0.002","90","","1646.68","0.06","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Cl4 N2 O Pt -","- C13 H12 Cl4 N2 O Pt -","- C52 H48 Cl16 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0816","0.0822","","","","","","1.125","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243026","7.4532","0.0001","12.7323","0.0002","22.1827","0.0003","99.629","0.001","98.186","0.001","94.794","0.001","2041.78","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10.33 H7.33 Br2 Cl2 N2 O0.33 Pt -","- C10.3333 H7.33333 Br2 Cl2 N2 O0.333333 Pt -","- C62 H44 Br12 Cl12 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0463","0.0395","","","0.1032","0.1086","","","","","","1.097","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243027","27.5455","0.0002","27.5455","0.0002","27.5455","0.0002","90","","90","","90","","20900.3","0.3","243.01","0.1","243.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C44 H38 N40 O25 Zn8 -","- C5.5 H4.5 N5 O3.125 Zn -","- C132 H108 N120 O75 Zn24 -","24","0.5","","Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong","Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72−","CrystEngComm","2021","23","28","4923","4929","10.1039/D1CE00610J","","x-ray","1.54178","CuKα","","0.1234","0.0976","","","0.303","0.3537","","","","","","1.095","","","","has coordinates","268636","2021-09-06","10:20:38",""
"7243028","11.749","0.003","8.961","0.002","25.585","0.006","90","","101.49","0.03","90","","2639.7","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl2 N5 O2 Zn -","- C25 H23 Cl2 N5 O2 Zn -","- C100 H92 Cl8 N20 O8 Zn4 -","4","0.5","","Wang, Yanru; Wang, Ani; Pan, Jie; Xue, Zhenzhen; Li, Jinhua; Wang, Guoming","Metal‒organic complex-derived 3D porous carbon-supported g-C3N4/TiO2 as photocatalysts for the efficient degradation of antibiotic","CrystEngComm","2021","23","26","4717","4723","10.1039/D1CE00709B","","","0.71073","MoKα","","0.0474","0.0366","","","0.0885","0.0953","","","","","","1.06","","","","has coordinates","268660","2021-09-06","10:26:26",""
"7243029","12.6615","0.0007","4.8528","0.0002","39.0056","0.0017","90","","98.502","0.004","90","","2370.31","0.19","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 F6 N2 S -","- C29 H16 F6 N2 S -","- C116 H64 F24 N8 S4 -","4","1","","Kumar, Avulu Vinod; Rohullah, Mehdi; Ravi, Jada; Godumala, Mallesham; Annadhasan, Mari; Chandrasekar, Rajadurai","Mechanophotonic aspects of a room temperature phosphorescent flexible organic microcrystal","CrystEngComm","2021","23","34","5774","5779","10.1039/D1CE00475A","","x-ray","0.71073","MoKα","","0.2165","0.0903","","","0.1965","0.3128","","","","","","1.027","","","","has coordinates,has disorder","268685","2021-09-06","10:31:55",""
"7243030","7.165","0.0004","12.9313","0.0008","13.5","0.0008","90","","90.8316","0.0018","90","","1250.68","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0289","0.0228","","","0.0499","0.0519","","","","","","1.058","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243031","3.8383","0.0002","22.1816","0.0009","14.0252","0.0006","90","","90","","90","","1194.1","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0286","0.0236","","","0.0511","0.0528","","","","","","1.106","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243032","13.0329","0.0007","12.4106","0.0006","14.8895","0.0008","90","","92.525","0.002","90","","2406","0.2","276","2","276","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl Cu N2 S2 -","- C11 H9 Cl Cu N2 S2 -","- C88 H72 Cl8 Cu8 N16 S16 -","8","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0413","0.0296","","","0.071","0.0781","","","","","","0.785","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243039","10.49993","0.00015","11.00975","0.00013","12.68737","0.00015","112.81","0.0011","91.4574","0.0011","109.916","0.0012","1249.96","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C62 H40 N8 S4 -","2","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0382","0.0357","","","0.1001","0.1022","","","","","","1.094","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243040","17.5816","0.0006","20.1048","0.0007","6.9531","0.0003","90","","95.208","0.004","90","","2447.6","0.16","223","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 S2 -","- C31 H17 N4 S2 -","- C124 H68 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","x-ray","1.54184","CuKα","","0.0609","0.0538","","","0.1617","0.1857","","","","","","1.117","","","","has coordinates,has disorder","268682","2021-09-06","10:31:32",""
"7243041","18.6467","0.0007","7.9281","0.0002","20.2852","0.0008","90","","114.132","0.005","90","","2736.7","0.2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C124 H80 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0525","0.0507","","","0.1457","0.1474","","","","","","1.036","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243042","14.016","0.0017","8.1673","0.001","14.8905","0.0019","90","","94.665","0.002","90","","1698.9","0.4","296","0.2","296","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0477","0.0388","","","0.0965","0.1026","","","","","","1.061","","","","has coordinates","268632","2021-09-06","10:18:50",""
"7243043","7.6654","0.0004","12.3371","0.0005","14.5545","0.0007","90","","96.846","0.004","90","","1366.59","0.11","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 Cu N2 O12 -","- C24 H22 Cl2 Cu N2 O12 -","- C48 H44 Cl4 Cu2 N4 O24 -","2","0.5","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0993","0.0543","","","0.1398","0.1813","","","","","","1.031","","","","has coordinates","268632","2021-09-06","10:18:52",""
"7243044","8.459","0.004","10.258","0.005","13.519","0.007","107.813","0.005","96.028","0.006","91.195","0.006","1108.9","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N2 O -","- C31 H19 N2 O -","- C62 H38 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0708","0.0483","","","0.1319","0.1471","","","","","","1.035","","","","has coordinates,has disorder","268638","2021-09-06","10:21:29",""
"7243045","5.6736","0.0015","25.031","0.006","18.519","0.005","90","","105.22","0.007","90","","2537.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0727","0.05","","","0.1308","0.1482","","","","","","1.025","","","","has coordinates","268638","2021-09-06","10:21:32",""
"7243046","9.934","0.004","11.169","0.004","14.409","0.005","81.527","0.004","72.017","0.004","66.137","0.004","1390.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N2 O2 -","- C38 H24 N2 O2 -","- C76 H48 N4 O4 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0733","0.048","","","0.1332","0.151","","","","","","1.029","","","","has coordinates","268638","2021-09-06","10:21:37",""
"7243047","9.633","0.0006","25.6233","0.0011","10.1786","0.0006","90","","101.978","0.005","90","","2457.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H28 Mn3 N6 O12 -","- C52 H28 Mn3 N6 O12 -","- C104 H56 Mn6 N12 O24 -","2","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0909","0.0708","","","0.195","0.2117","","","","","","1.067","","","","has coordinates","268635","2021-09-06","10:20:11",""
"7243048","7.0276","0.0011","11.7785","0.0014","13.2567","0.0017","114.548","0.012","94.882","0.012","103.487","0.012","949.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1271","0.0795","","","0.2207","0.2572","","","","","","1.052","","","","has coordinates,has disorder","268635","2021-09-06","10:20:14",""
"7243049","9.6405","0.0009","10.1868","0.0008","12.8047","0.0012","76.922","0.007","70.96","0.009","78.692","0.007","1147.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0572","0.0413","","","0.0974","0.109","","","","","","0.88","","","","has coordinates","268635","2021-09-06","10:20:17",""
"7243050","8.0999","0.0003","27.363","0.001","20.2667","0.0008","90","","96.328","0.004","90","","4464.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Co3 N4 O24 -","- C40 H44 Co3 N4 O24 -","- C160 H176 Co12 N16 O96 -","4","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1086","0.0737","","","0.1849","0.2108","","","","","","1.048","","","","has coordinates","268635","2021-09-06","10:20:28",""
"7243051","16.9","0.002","5.571","0.0007","16.42","0.002","90","","96.441","0.004","90","","1536.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1999","0.0779","","","0.1928","0.3051","","","","","","1.091","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243052","9.7595","0.0005","7.9919","0.0003","36.1641","0.0016","90","","91.478","0.0018","90","","2819.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_1,2,4,5-tetracyanobenzene","","- C37 H17 N6 -","- C37 H17 N6 -","- C148 H68 N24 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1199","0.0668","","","0.1336","0.1608","","","","","","1.066","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243053","6.8012","0.0004","24.7708","0.0015","14.5619","0.0009","90","","101.513","0.002","90","","2403.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_octafluoronaphthalene","","- C32 H14 F8 -","- C32 H14 F8 -","- C128 H56 F32 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1417","0.0784","","","0.1464","0.176","","","","","","1.074","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243056","12.8677","0.0014","9.6306","0.001","16.3003","0.0016","90","","92.7196","0.0008","90","","2017.7","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_25deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.6437","","","","","","","has coordinates","268639","2021-09-06","10:22:03",""
"7243057","13.0245","0.0019","9.6841","0.0014","16.368","0.002","90","","92.7266","0.0009","90","","2062.2","0.5","418","","418","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_120deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.1475","","","","","","","has coordinates","268639","2021-09-06","10:22:09",""
"7243058","5.778","0.003","13.713","0.007","16.811","0.008","81.532","0.019","81.28","0.02","86.7","0.02","1301.4","1.1","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C17 H10 O4 S2 -","- C17 H10 O4 S2 -","- C34 H20 O8 S4 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","x-ray","0.71073","MoKα","","0.181","0.142","","","0.4046","0.4283","","","","","","1.395","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243059","8.4537","0.0017","14.128","0.003","18.021","0.004","106.291","0.009","97.991","0.009","103.267","0.01","1962.5","0.7","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.2914","0.1694","","","0.4085","0.4897","","","","","","1.442","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243060","8.301","0.007","18.954","0.018","20.558","0.015","114.88","0.05","96.22","0.06","95.19","0.07","2884","4","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-78","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.28","0.196","","","0.493","0.554","","","","","","1.882","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7243061","57.3567","0.001","57.3567","0.001","29.225","0.0005","90","","90","","90","","96144","3","123","","123.15","","","","","","","","","5","I 41","I 4bw","80","","Rb@18-crown","","- C262.38 H275.18 N18 O85.27 Rb3.98 -","- C262.376 H275.172 N18 O85.263 Rb3.982 -","- C2099.01 H2201.38 N144 O682.104 Rb31.856 -","8","1","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams","CrystEngComm","2021","23","29","5053","5059","10.1039/D1CE00628B","","","1.54187","CuKα","","0.1059","0.0494","","","0.1363","0.1806","","","","","","0.92","","","","has coordinates,has disorder","268634","2021-09-06","10:19:55",""
"7243068","8.4828","0.0016","12.528","0.002","6.6496","0.0011","90","","92.535","0.016","90","","706","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(butane-1,4-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,4-dimer","","- C14 H16 N2 O6 -","- C7 H8 N O3 -","- C28 H32 N4 O12 -","4","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.1162","0.0954","","","0.2552","0.2825","","","","","","1.056","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243069","11.8489","0.0004","15.6629","0.0004","11.8621","0.0003","90","","93.465","0.002","90","","2197.44","0.11","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-hydroxycyclobut-3-ene-1,2-dione)","Sq-12-dimer-hydrate","","- C10 H9 N2 O7 -","- C10 H9 N2 O7 -","- C80 H72 N16 O56 -","8","2","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0615","0.0453","","","0.1171","0.1251","","","","","","1.069","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7243070","7.8262","0.0003","9.1203","0.0004","10.2647","0.0004","79.094","0.004","86.345","0.003","79.409","0.003","706.86","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(ethane-1,2-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-methyldimer","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0572","0.0492","","","0.1304","0.1365","","","","","","1.036","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243071","9.8568","0.0001","10.1633","0.0001","12.2811","0.0001","90","","101.617","0.001","90","","1205.09","0.02","122.99","0.1","122.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-dimer","","- C12 H12 N2 O6 -","- C9.6 H9.6 N1.6 O4.8 -","- C48 H48 N8 O24 -","5","0.625","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","1.54184","CuKα","","0.033","0.0325","","","0.0872","0.0875","","","","","","1.057","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243072","8.4804","0.0005","13.0556","0.0008","13.3103","0.001","84.028","0.006","86.103","0.006","89.868","0.005","1462.27","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(propane-1,3-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,3-methyldimer","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","2","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","","0.71073","MoKα","","0.1433","0.0795","","","0.1752","0.222","","","","","","1.03","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243073","7.4436","0.0003","10.1464","0.0005","11.1808","0.0004","89.53","0.001","74.805","0.001","86.082","0.002","812.97","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H17 N23 O -","- C4 H17 N23 O -","- C8 H34 N46 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0578","0.0397","","","0.0959","0.1049","","","","","","1.031","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243074","7.3804","0.0003","11.4595","0.0005","11.8445","0.0005","64.029","0.001","81.549","0.002","89.905","0.001","888.6","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H19 N21 O6 -","- C4 H19 N21 O6 -","- C8 H38 N42 O12 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0549","0.0397","","","0.0978","0.1049","","","","","","1.049","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243075","9.5686","0.0011","9.5808","0.001","9.5851","0.0011","81.051","0.003","81.699","0.003","60.468","0.003","752.9","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 N19 Na O -","- C4 H10 N19 Na O -","- C8 H20 N38 Na2 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0683","0.0443","","","0.1108","0.123","","","","","","1.048","","","","has coordinates,has disorder","268669","2021-09-06","10:28:30",""
"7243076","13.226","0.002","10.403","0.002","7.7069","0.0015","90","","117.138","0.005","90","","943.7","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H15 N17 O2 S2 -","- C8 H15 N17 O2 S2 -","- C16 H30 N34 O4 S4 -","2","0.5","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0343","0.0311","","","0.0804","0.0822","","","","","","1.081","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243077","7.2417","0.0006","10.6666","0.0007","11.9926","0.0009","77.757","0.002","85.569","0.002","80.379","0.002","891.72","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 N17 Na O3 -","- C7 H14 N17 Na O3 -","- C14 H28 N34 Na2 O6 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0704","0.0451","","","0.1137","0.1267","","","","","","1.02","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243078","7.234","0.0013","10.5985","0.0019","13.966","0.003","70.681","0.005","89.167","0.006","71.541","0.005","953.6","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H18 N26 -","- C7 H18 N26 -","- C14 H36 N52 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0554","0.0406","","","0.0971","0.1047","","","","","","1.03","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243084","11.443","0.003","25.579","0.005","5.1731","0.0009","90","","90","","90","","1514.2","0.6","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.116","0.0693","","","0.1567","0.1811","","","","","","1.0407","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243085","11.54","0.005","5.32","0.002","22.8","0.011","90","","100.001","0.012","90","","1378.5","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0774","0.0481","","","0.1044","0.1154","","","","","","1.0617","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243086","5.6676","0.0003","10.5227","0.0005","12.1824","0.0006","93.86","0.002","94.947","0.002","98.214","0.002","714.07","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C28 H26 N6 O8 S2 -","2","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0358","0.0329","","","0.1056","0.1106","","","","","","0.9873","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243087","20.0412","0.0009","10.228","0.0005","15.0199","0.0007","90","","102.816","0.003","90","","3002.1","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C112 H104 N24 O32 S8 -","8","2","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0788","0.048","","","0.0999","0.1133","","","","","","1.0714","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243093","10.1573","0.001","12.9967","0.0012","17.941","0.0017","106.658","0.003","94.168","0.003","92.148","0.003","2258.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Co2 N14 O14 -","- C48 H30 Co2 N14 O14 -","- C96 H60 Co4 N28 O28 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.1019","0.0511","","","0.0859","0.1014","","","","","","1.021","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243094","6.0668","0.0004","25.6268","0.0015","19.263","0.0012","90","","93.306","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cd N6 O9 S -","- C30 H24 Cd N6 O9 S -","- C120 H96 Cd4 N24 O36 S4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0546","0.045","","","0.0976","0.1011","","","","","","1.202","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243095","10.2125","0.0013","11.4153","0.0015","15.21","0.002","95.508","0.004","102.091","0.004","104.351","0.003","1659.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.25 H27.25 N6.25 O8.25 Zn -","- C31.25 H25.25 N6.25 O8.25 Zn -","- C62.5 H50.5 N12.5 O16.5 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.092","0.0643","","","0.1746","0.1989","","","","","","1.005","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243096","27.066","0.007","8","0.002","23.551","0.005","90","","109.498","0.007","90","","4807","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O6 -","- C24 H24 Cd N6 O6 -","- C192 H192 Cd8 N48 O48 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0295","0.0253","","","0.0571","0.0591","","","","","","1.072","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243097","16.038","0.007","8.955","0.004","17.558","0.007","90","","111.217","0.011","90","","2350.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N7 O6 Zn -","- C25 H17 N7 O6 Zn -","- C100 H68 N28 O24 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0856","0.0509","","","0.0906","0.1019","","","","","","1.042","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243098","7.2333","0.0005","9.681","0.0007","17.5939","0.0012","98.331","0.002","98.781","0.002","103.468","0.002","1163.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N7 O8 Zn -","- C24 H17 N7 O8 Zn -","- C48 H34 N14 O16 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0489","0.0368","","","0.0893","0.0962","","","","","","1.034","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243099","7.8677","0.0011","25.794","0.004","16.371","0.003","90","","95.172","0.004","90","","3308.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cd2 N6 O10 -","- C34 H26 Cd2 N6 O10 -","- C136 H104 Cd8 N24 O40 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0216","0.0184","","","0.0433","0.0448","","","","","","1.044","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243100","12.243","0.003","12.243","0.003","12.243","0.003","90","","90","","90","","1835.1","0.8","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- B12 H13 K O25 -","- B12 H12.9996 K O25 -","- B48 H51.9984 K4 O100 -","4","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0578","0.0502","","","0.135","0.1405","","","","","","1.068","","","","has coordinates,has disorder","268664","2021-09-06","10:27:31",""
"7243101","7.027","0.002","8.039","0.002","11.442","0.004","108.567","0.01","93.633","0.011","90.442","0.011","611.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- B6 Cs Ga H3 Na O13 -","- B6 Cs Ga H3 Na O13 -","- B12 Cs2 Ga2 H6 Na2 O26 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.069","0.0439","","","0.0898","0.1","","","","","","1.027","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243102","6.686","0.005","8.082","0.006","10.485","0.008","90","","97.192","0.018","90","","562.1","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H10 B5 Ga N2 O10 -","- C2 H10 B5 Ga N2 O10 -","- C4 H20 B10 Ga2 N4 O20 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0677","0.0554","","","0.1212","0.1299","","","","","","1.054","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243103","11.9101","0.0005","14.8958","0.0006","16.5644","0.0007","106.243","0.001","109.77","0.001","96.022","0.001","2589.55","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 N8 O14 S2 Zn2 -","- C52 H44 N8 O14 S2 Zn2 -","- C104 H88 N16 O28 S4 Zn4 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","","0.71073","MoKα","","0.0686","0.0419","","","0.0963","0.1077","","","","","","1.018","","","","has coordinates,has disorder","268644","2021-09-06","10:23:12",""
"7243104","10.0385","0.001","11.1557","0.0012","12.4792","0.0013","79.339","0.002","80.212","0.002","68.539","0.002","1270.1","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N4 O6 S Zn -","- C27 H22 N4 O6 S Zn -","- C54 H44 N8 O12 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0597","0.0409","","","0.0948","0.103","","","","","","1.021","","","","has coordinates,has disorder","268644","2021-09-06","10:23:13",""
"7243105","9.8851","0.0008","10.896","0.0008","12.2041","0.001","82.082","0.002","80.528","0.002","68.643","0.002","1203.18","0.17","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 N4 O7 S Zn -","- C26 H20 N4 O7 S Zn -","- C52 H40 N8 O14 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0406","","","0.0746","0.0842","","","","","","1.004","","","","has coordinates","268644","2021-09-06","10:23:13",""
"7243110","7.4211","0.0004","6.5606","0.0004","5.1633","0.0003","83.817","0.002","110.727","0.002","123.412","0.002","195.03","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","1","0.5","","Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier","Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph","CrystEngComm","2021","23","29","5124","5130","10.1039/D1CE00802A","powder diffraction","x-ray","1.54187","CuKα","","0.0383","0.0383","","0.0483","0.0483","","","","3.53","","","","","","","has coordinates","268631","2021-09-06","10:18:36",""
"7243111","9.4495","0.0003","11.2688","0.0003","18.2721","0.0006","73.315","0.001","82.268","0.001","74.353","0.001","1791.27","0.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl N2 -","- C47 H33 Cl N2 -","- C94 H66 Cl2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.0603","0.0511","","","0.1242","0.1303","","","","","","1.046","","","","has coordinates","268670","2021-09-06","10:28:44",""
"7243112","9.397","0.0014","10.5684","0.0015","19.829","0.003","100.913","0.003","91.886","0.004","113.365","0.003","1762.3","0.5","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N2 -","- C47 H34 N2 -","- C94 H68 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.2186","0.0801","","","0.1794","0.2475","","","","","","0.967","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243113","9.3263","0.001","10.8791","0.0012","19.822","0.002","98.441","0.004","94.465","0.003","114.358","0.003","1790.8","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 F N2 -","- C47 H33 F N2 -","- C94 H66 F2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.172","0.1461","","","0.4138","0.4278","","","","","","1.085","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243114","29.6992","0.0015","14.6641","0.0004","25.7385","0.0009","90","","108.808","0.005","90","","10610.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0456","0.0383","","","0.087","0.0912","","","","","","0.989","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243115","29.771","0.006","14.658","0.003","25.708","0.005","90","","108.927","0.004","90","","10612","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0574","0.0556","","","0.1535","0.1581","","","","","","1.033","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243116","21.53","0.02","10.926","0.01","18.35","0.016","90","","90","","90","","4317","7","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","0.71073","MoKα","","0.1948","0.0717","","","0.1495","0.1953","","","","","","0.979","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243117","21.3258","0.0011","10.8147","0.0003","17.9497","0.0008","90","","90","","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","1.54184","CuKα","","0.0897","0.0741","","","0.1861","0.2034","","","","","","1.056","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243125","5.1833","0.0004","23.147","0.002","6.8285","0.0007","90","","107.681","0.01","90","","780.57","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N4 O2 -","- C8 H4 Cu N4 O2 -","- C32 H16 Cu4 N16 O8 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0496","0.0346","","","0.0749","0.0824","","","","","","1.037","","","","has coordinates","268650","2021-09-06","10:24:28",""
"7243126","6.8724","0.0004","8.5555","0.0006","10.8947","0.0007","103.025","0.005","102.889","0.005","111.241","0.006","547.97","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl N4 O4 Zn1.5 -","- C8 H8 Cl N4 O4 Zn1.5 -","- C16 H16 Cl2 N8 O8 Zn3 -","2","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.05","0.034","","","0.0729","0.0809","","","","","","1.062","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243127","8.5821","0.001","13.578","0.0011","9.2842","0.0011","90","","116.067","0.015","90","","971.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 Ni O4 -","- C8 H7 N4 Ni O4 -","- C32 H28 N16 Ni4 O16 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0425","0.0322","","","0.0712","0.0761","","","","","","1.033","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243128","13.8772","0.0007","9.5629","0.0005","7.5481","0.0004","90","","94.152","0.006","90","","999.05","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N4 O2 Pb -","- C8 H4 Cl N4 O2 Pb -","- C32 H16 Cl4 N16 O8 Pb4 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71","MoKα","","0.0431","0.0315","","","0.0689","0.0755","","","","","","1.082","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243129","20.5149","0.0008","16.0901","0.0012","15.5524","0.0005","90","","90","","90","","5133.6","0.5","296.3","0.9","296.3","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H16 Co0.67 N2 O6 -","- C16 H16 Co0.666667 N2 O6 -","- C192 H192 Co8 N24 O72 -","12","0.75","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1258","0.0598","","","0.1331","0.1626","","","","","","1","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243130","17.034","0.0005","11.4043","0.0003","12.6992","0.0003","90","","90","","90","","2466.96","0.11","299","0.2","299","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 N3 O7 Zn2 -","- C23 H22 N3 O7 Zn2 -","- C92 H88 N12 O28 Zn8 -","4","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0506","0.0309","","","0.079","0.0944","","","","","","0.852","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243131","11.3588","0.0007","30.0187","0.001","12.2991","0.0008","90","","117.471","0.008","90","","3720.8","0.4","297.1","0.8","297.1","0.8","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14.5 H11.5 N1.5 Ni0.75 O6.62 -","- C14.5 H11.5 N1.5 Ni0.75 O6.625 -","- C116 H92 N12 Ni6 O53 -","8","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1073","0.084","","","0.247","0.2646","","","","","","1.005","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243132","20.5127","0.0006","16.0761","0.0005","15.2569","0.0005","90","","90","","90","","5031.2","0.3","298","0.1","298","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C46 H38 N6 Ni2 O18 -","- C45.9998 H38 N6 Ni2 O18 -","- C183.999 H152 N24 Ni8 O72 -","4","0.25","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0746","0.0538","","","0.1995","0.2447","","","","","","0.99","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243133","10.4617","0.001","14.6431","0.001","12.7995","0.0009","90","","97.576","0.007","90","","1943.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Fe3 N4 O12 -","- C36 H24 Fe3 N2 O18 -","- C72 H48 Fe6 N4 O36 -","2","0.5","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.2008","0.0745","","","0.1098","0.1552","","","","","","0.875","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243134","6.1846","0.0002","27.8403","0.0008","7.4558","0.0002","90","","109.007","0.003","90","","1213.76","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","GABA-L-tartaric acid (1:1) monohydrate","GABA-L-tartaric acid (1:1) monohydrate","","- C8 H17 N O9 -","- C8 H17 N O9 -","- C32 H68 N4 O36 -","4","2","","Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V.","A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water","CrystEngComm","2021","23","35","6086","6092","10.1039/D1CE00470K","","x-ray","0.71073","MoKα","","0.0629","0.0477","","","0.0937","0.1002","","","","","","1.024","","","","has coordinates,has disorder","269687","2021-10-06","14:54:03",""
"7243135","11.388","0.003","12.621","0.003","14.493","0.004","100.52","0.005","109.121","0.005","97.132","0.005","1896.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Ag2 N7 O8.5 -","- C28 H19 Ag2 N5 O6 -","- C56 H38 Ag4 N10 O12 -","2","1","","Jiang, Wei; Lv, Mengying; Gao, Baihui; Liu, Bo; Yan, Guosong; Zhou, Shi; Liu, Chunbo; Xie, Wei; Che, Guangbo","Facile construction of an Ag0-doped Ag(i)-based coordination polymer via a self-photoreduction strategy for enhanced visible light driven photocatalysis","CrystEngComm","2021","23","31","5397","5402","10.1039/D1CE00699A","","","0.71073","MoKα","","0.1081","0.0518","","","0.1002","0.1149","","","","","","0.847","","","","has coordinates","268667","2021-09-06","10:28:07",""
"7243136","16.206","0.002","13.665","0.002","19.848","0.003","90","","105.603","0.004","90","","4233.5","1","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C72 H128 Cu12 Mo24 N40 O124 Te4 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0327","0.0258","","","0.0656","0.0686","","","","","","1.036","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243137","10.4645","0.0007","14.6884","0.001","13.0321","0.0009","90","","95.1","0.001","90","","1995.2","0.2","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C24 H88 Cu4 Mo12 N16 O60 Te2 -","2","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0285","0.0256","","","0.0644","0.0655","","","","","","1.198","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243138","12.79","0.002","21.231","0.002","19.024","0.002","90","","97.734","0.003","90","","5118.9","1.1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H72 Cu4 Mo16 N24 O54 -","- C52 H72 Cu4 Mo16 N24 O54 -","- C104 H144 Cu8 Mo32 N48 O108 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.117","0.0809","","","0.1632","0.1851","","","","","","1.034","","","","has coordinates,has disorder","268673","2021-09-06","10:29:30",""
"7243139","10.7719","0.0006","18.3338","0.001","12.7561","0.0007","90","","113.685","0.001","90","","2307","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cu Mo4 N4 O15 -","- C13 H16 Cu Mo4 N4 O15 -","- C52 H64 Cu4 Mo16 N16 O60 -","4","1","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.072","0.037","","","0.0655","0.0753","","","","","","0.972","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243140","11.1044","0.0014","11.8366","0.0015","13.6033","0.0017","77.836","0.002","72.274","0.002","85.532","0.002","1664.7","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","1","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0589","0.0361","","","0.0785","0.0877","","","","","","1.017","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243143","10.188","0.004","11.162","0.004","19.431","0.007","86.926","0.009","77.759","0.009","88.866","0.01","2156.2","1.4","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.55 F6 Fe N O8 P0.45 -","- C43 H54 As0.555 F6 Fe N O8 P0.445 -","- C86 H108 As1.11 F12 Fe2 N2 O16 P0.89 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1067","","","","0.3538","","","","","","1.337","","","","has coordinates","268679","2021-09-06","10:30:50",""
"7243144","10.1785","0.0005","11.0668","0.001","19.4314","0.0009","86.883","0.009","77.412","0.007","88.969","0.01","2133","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0628","","","","0.1987","","","","","","0.954","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243145","10.204","0.002","11.089","0.003","19.442","0.004","86.955","0.006","77.616","0.004","88.875","0.006","2145.6","0.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.49 F6 Fe N O8 P0.51 -","- C43 H54 As0.488 F6 Fe N O8 P0.512 -","- C86 H108 As0.976 F12 Fe2 N2 O16 P1.024 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1134","","","","0.3708","","","","","","1.343","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243146","10.175","0.005","11.163","0.006","19.424","0.008","86.799","0.013","77.778","0.013","88.65","0.02","2152.7","1.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C86 H108 As1.34 F12 Fe2 N2 O16 P0.66 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1076","","","","0.3508","","","","","","1.237","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243147","10.203","0.003","11.091","0.003","19.44","0.005","86.95","0.006","77.515","0.005","88.98","0.006","2144.8","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.92 Sb0.08 -","- C43 H54 F6 Fe N O8 P0.916 Sb0.084 -","- C86 H108 F12 Fe2 N2 O16 P1.832 Sb0.168 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1175","","","","0.3812","","","","","","1.457","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243148","10.163","0.003","11.824","0.004","17.902","0.005","85.765","0.007","86.936","0.006","87.915","0.007","2141.2","1.1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C86 H108 F12 Fe2 N2 O16 P0.7 Sb1.3 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0979","","","","0.2659","","","","","","1.06","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243149","10.194","0.003","11.112","0.003","19.439","0.005","86.85","0.006","77.726","0.006","88.805","0.007","2148.3","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.36 F6 Fe N O8 P0.64 -","- C43 H54 As0.358 F6 Fe N O8 P0.642 -","- C86 H108 As0.716 F12 Fe2 N2 O16 P1.284 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0808","","","","0.2747","","","","","","1.056","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243150","10.171","0.0017","11.182","0.002","19.436","0.004","86.772","0.005","77.689","0.005","88.611","0.005","2156.1","0.7","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.72 F6 Fe N O8 P0.28 -","- C43 H54 As0.724 F6 Fe N O8 P0.276 -","- C86 H108 As1.448 F12 Fe2 N2 O16 P0.552 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0946","","","","0.275","","","","","","1.076","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243151","10.17","0.003","11.106","0.004","19.439","0.006","86.836","0.009","77.378","0.006","88.73","0.009","2139.2","1.2","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C86 H108 F12 Fe2 N2 O16 P1.68 Sb0.32 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0909","","","","0.278","","","","","","1.47","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243152","21.497","0.005","9.893","0.002","22.324","0.005","90","","116.199","0.002","90","","4259.9","1.6","93.15","","93.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C172 H216 F24 Fe4 N4 O32 P4 -","4","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.71073","MoKα","","0.1267","0.0762","","","0.1466","0.1637","","","","","","1.092","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243153","10.139","0.0018","11.679","0.002","17.971","0.003","85.655","0.004","87.434","0.004","88.542","0.005","2119.2","0.6","113.35","","113.35","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.484 Sb0.516 -","- C43 H54 F6 Fe N O8 P0.48436 Sb0.51564 -","- C86 H108 F12 Fe2 N2 O16 P0.96872 Sb1.03128 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","0.0645","0.0548","","","0.1452","0.1637","","","","","","1.0287","","","","has coordinates,has disorder","268679","2021-09-06","10:30:53",""
"7243154","9.4922","0.0002","39.4939","0.0009","9.7199","0.0003","90","","110.321","0.001","90","","3417.05","0.15","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","1","0.25","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0875","0.0535","","","0.1141","0.1346","","","","","","1.054","","","","has coordinates","268653","2021-09-06","10:25:22",""
"7243155","9.311","0.0009","10.2559","0.0009","14.891","0.0014","105.346","0.003","94.24","0.003","115.645","0.003","1206.8","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn N4 O5 -","- C26 H20 Mn N4 O5 -","- C52 H40 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0798","0.0517","","","0.1131","0.1402","","","","","","1.045","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243156","10.0622","0.0005","10.432","0.0005","11.9877","0.0006","67.814","0.002","71.39","0.002","68.516","0.001","1060.07","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","1","0.5","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0599","0.0402","","","0.0865","0.1018","","","","","","1.057","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243157","9.2544","0.0005","10.3343","0.0006","14.8355","0.0008","105.384","0.002","93.551","0.002","116.082","0.002","1202.28","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Mn N4 O5 -","- C27 H22 Mn N4 O5 -","- C54 H44 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0826","0.0537","","","0.1211","0.143","","","","","","1.058","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243158","13.1164","0.0004","16.1174","0.0005","14.7873","0.0005","90","","109.782","0.001","90","","2941.59","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 Ni O5 -","- C23 H15 N3 Ni O5 -","- C92 H60 N12 Ni4 O20 -","4","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0914","0.0625","","","0.1566","0.1724","","","","","","1.081","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243182","9.1218","0.0004","17.4862","0.0008","9.4704","0.0004","90","","91.7907","0.0017","90","","1509.84","0.11","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Cerium Thiophosphate","","- Ce Na0.5 P2 Rb2.5 S8 -","- Ce Na0.499 P2 Rb2.501 S8 -","- Ce4 Na1.996 P8 Rb10.004 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0837","0.0563","","","0.1174","0.1267","","","","","","1.129","","","","has coordinates","268665","2021-09-06","10:27:44",""
"7243183","9.057","0.0003","17.3059","0.0006","9.4252","0.0003","90","","91.8396","0.0013","90","","1476.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Praseodymium Thiophosphate","","- Na0.55 P2 Pr Rb2.45 S8 -","- Na0.551 P2 Pr Rb2.449 S8 -","- Na2.204 P8 Pr4 Rb9.796 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0471","0.0503","","","","","","1.093","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243184","9.8512","0.0006","6.753","0.0004","11.4321","0.0007","90","","90.241","0.002","90","","760.52","0.08","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Cerium Thiophosphate","","- Ce P2 Rb3 S8 -","- Ce P2 Rb3 S8 -","- Ce2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0302","0.0262","","","0.0503","0.0515","","","","","","1.157","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243185","17.3308","0.0004","6.6787","0.0002","6.4347","0.0001","90","","90","","90","","744.8","0.03","301","2","301","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu P Rb S4 -","- Eu P Rb S4 -","- Eu4 P4 Rb4 S16 -","4","0.5","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0263","0.0247","","","0.0638","0.0647","","","","","","1.171","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243186","9.9053","0.0009","6.7376","0.0006","11.4553","0.001","90","","90.005","0.003","90","","764.5","0.12","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Lanthanum Thiophosphate","","- La P2 Rb3 S8 -","- La P2 Rb3 S8 -","- La2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0541","0.0493","","","0.0951","0.0983","","","","","","1.099","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243187","9.8265","0.0003","6.7613","0.0002","11.4228","0.0004","90","","90.2997","0.0012","90","","758.92","0.04","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Praseodymium Thiophosphate","","- P2 Pr Rb3 S8 -","- P2 Pr Rb3 S8 -","- P4 Pr2 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0373","0.0329","","","0.0527","0.0541","","","","","","1.181","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243188","7.1682","0.0007","8.2406","0.0009","29.792","0.003","90","","92.704","0.008","90","","1757.9","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N6 -","- C44 H24 F8 N6 -","- C88 H48 F16 N12 -","2","0.5","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","x-ray","0.71073","MoKα","","0.0618","0.0436","","","0.0887","0.101","","","","","","1.051","","","","has coordinates","268675","2021-09-06","10:29:49",""
"7243189","15.694","0.005","7.226","0.002","17.313","0.005","90","","95.538","0.007","90","","1954.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N5 -","- C24 H14 N5 -","- C96 H56 N20 -","4","1","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","","0.71073","MoKα","","0.0887","0.0477","","","0.1191","0.1441","","","","","","1.066","","","","has coordinates","268675","2021-09-06","10:29:50",""
"7243193","7.938","0.0002","13.3534","0.0002","14.1943","0.0002","112.959","0.002","92.287","0.002","96.766","0.001","1369.67","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O5 S -","- C30 H32 N4 O5 S -","- C60 H64 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0536","0.0517","","","0.1416","0.1438","","","","","","1.09","","","","has coordinates","268652","2021-09-06","10:24:43",""
"7243194","7.8512","0.0001","13.6163","0.0002","14.6035","0.0002","62.989","0.001","82.242","0.001","79.912","0.001","1366.64","0.03","275","4","275","4","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C62 H52 N8 O6 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0606","0.0573","","","0.1629","0.1673","","","","","","1.084","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243195","8.1582","0.0003","13.1348","0.0004","13.1911","0.0004","102.579","0.003","105.605","0.003","93.678","0.003","1317.35","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 S -","- C28 H24 N4 O7 S -","- C56 H48 N8 O14 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0509","0.0468","","","0.1258","0.1283","","","","","","1.074","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243196","3.6879","0.0008","11.923","0.002","9.13","0.0018","90","","97.392","0.019","90","","398.12","0.14","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H5 Cl3 O -","- C8 H5 Cl3 O -","- C16 H10 Cl6 O2 -","2","1","","Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya","A plastically bendable and polar organic crystal","CrystEngComm","2021","23","33","5560","5563","10.1039/D1CE00724F","","x-ray","0.71073","MoKα","","0.0427","0.0414","","","0.1016","0.1022","","","","","","1.044","","","","has coordinates","268655","2021-09-06","10:25:45",""
"7243198","15.125","0.002","11.8601","0.0016","21.373","0.003","90","","100.169","0.003","90","","3773.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H102 Cl6 O4 -","- C88 H102 Cl6 O4 -","- C176 H204 Cl12 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0882","0.0803","","","0.2208","0.2338","","","","","","1.109","","","","has coordinates,has disorder","268630","2021-09-06","10:15:02",""
"7243199","14.0848","0.0008","13.6156","0.0008","15.0281","0.0009","90","","92.682","0.002","90","","2878.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H73 Cl3 O4 -","- C75 H73 Cl3 O4 -","- C150 H146 Cl6 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.066","0.0571","","","0.1669","0.1784","","","","","","1.094","","","","has coordinates,has disorder","268630","2021-09-06","10:15:03",""
"7243200","12.6452","0.0017","29.23","0.004","7.4103","0.001","90","","98.251","0.006","90","","2710.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0602","0.0529","","","0.15","0.1565","","","","","","1.038","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243201","10.238","0.0006","11.9538","0.0007","14.5269","0.0009","100.417","0.003","103.463","0.003","93.348","0.003","1691.08","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","1","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0876","0.078","","","0.2327","0.2404","","","","","","1.091","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243202","7.7495","0.0002","33.5689","0.0008","39.6305","0.0009","68.5122","0.0014","88.362","0.0015","84.7067","0.0016","9551.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","M1015F18","","","- C42 H50 N4 S2 -","- C42 H50 N4 S2 -","- C420 H500 N40 S20 -","10","5","","Echeverri, Marcelo; Ruiz, Constanza; Gómez-Lor, Berta","A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative","CrystEngComm","2021","23","34","5925","5930","10.1039/D1CE00462J","","","0.71073","MoKα","","0.2474","0.0771","","","0.1569","0.2341","","","","","","0.955","","","","has coordinates","268691","2021-09-06","10:33:05",""
"7243241","25.237","0.006","19.307","0.004","15.041","0.003","90","","107.575","0.007","90","","6987","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 N3 O9 Zn2 -","- C40 H24 N3 O9 Zn2 -","- C320 H192 N24 O72 Zn16 -","8","1","","Chuang, Po-Min; Wu, Jing-Yun","A highly stable Zn coordination polymer exhibiting pH-dependent fluorescence and as a visually ratiometric and on‒off fluorescent sensor","CrystEngComm","2021","23","30","5226","5240","10.1039/D1CE00705J","","","0.71073","MoKα","","0.1413","0.0992","","","0.2651","0.2911","","","","","","1.09","","","","has coordinates","268628","2021-09-06","10:12:32",""
"7243242","6.82","0.0003","8.8363","0.0003","26.14","0.0011","90","","90","","90","","1575.29","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(S)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.0536","0.0393","","","0.0738","0.0772","","","","","","0.99","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243243","9.637","0.0002","25.3851","0.0006","13.5859","0.0003","90","","90.277","0.006","90","","3323.56","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.1228","0.107","","","0.2808","0.301","","","","","","1.023","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243244","10.464","0.0006","10.4673","0.0007","29.8915","0.0016","90","","96.843","0.003","90","","3250.7","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-4-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(4-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.0974","0.0908","","","0.1842","0.1879","","","","","","1.136","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243245","6.7938","0.0003","8.6704","0.0003","27.7144","0.0009","90","","90","","90","","1632.52","0.11","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-(1-cyclohexylethyl)ammonium (R)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (R)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.1422","0.0931","","","0.1968","0.2515","","","","","","1.13","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243246","24.2266","0.0008","10.0661","0.0008","13.3665","0.0008","90","","92.533","0.001","90","","3256.5","0.3","119","2","119","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","2","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.0526","0.0468","","","0.107","0.11","","","","","","1.08","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243247","9.0572","0.0009","29.711","0.003","12.6381","0.0013","90","","93.337","0.003","90","","3395.1","0.6","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.1934","0.0934","","","0.1687","0.2376","","","","","","1.018","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243248","25.2017","0.0013","18.1205","0.0012","24.0709","0.001","90","","105.576","0.005","90","","10588.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H126 Fe10 N4 Na2 O41 -","- C73 H122 Fe10 N4 Na2 O41 -","- C292 H488 Fe40 N16 Na8 O164 -","4","0.5","","Podgornii, Daniel; van Leusen, Jan; Kravtsov, Victor Ch.; Kögerler, Paul; Baca, Svetlana G.","A {Na2Fe10} isobutyrate cluster, interlinked into 1D chains","CrystEngComm","2021","23","30","5153","5156","10.1039/D1CE00777G","","","0.71073","MoKα","","0.1622","0.0748","","","0.1261","0.1537","","","","","","0.99","","","","has coordinates,has disorder","268629","2021-09-06","10:12:53",""
"7243257","9.9671","0.0003","7.2","0.0003","14.1385","0.0006","90","","92.803","0.003","90","","1013.41","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phe.H2O2.0.5H2O","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0529","0.0505","","","0.1285","0.1325","","","","","","1.096","","","","has coordinates","268648","2021-09-06","10:24:00",""
"7243258","11.6333","0.0003","5.9869","0.0001","28.5029","0.001","90","","90","","90","","1985.15","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","DL-Phe.H2O2","","- C9 H13 N O3.9675 -","- C9 H13 N O3.9675 -","- C72 H104 N8 O31.74 -","8","2","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0446","0.0364","","","0.0836","0.0879","","","","","","1.052","","","","has coordinates,has disorder","268648","2021-09-06","10:24:01",""
"7243259","4.7744","0.0004","7.3961","0.0007","9.8715","0.0006","90.222","0.005","90.124","0.003","101.127","0.006","342.03","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","DL-Asn.H2O2","","- C4 H10 N2 O5 -","- C4 H10 N2 O5 -","- C8 H20 N4 O10 -","2","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.043","0.0371","","","0.0865","0.0919","","","","","","1.045","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243260","5.571","0.002","9.766","0.004","11.738","0.004","90","","90","","90","","638.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asn.H2O","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0301","0.0294","","","0.0775","0.0784","","","","","","1.067","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243261","15.502","0.002","7.5316","0.0011","19.141","0.003","90","","102.593","0.004","90","","2181","0.5","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F12 H48 N10 O30 P6 Zr6 -","- F12 H48 N10 O30 P6 Zr6 -","- F24 H96 N20 O60 P12 Zr12 -","2","0.5","","Yu, Jing-Wei; Yu, Hai-Jiao; Yao, Zhi-Yuan; Li, Zi-Han; Ren, Qiu; Luo, Hong-Bin; Zou, Yang; Wang, Lifeng; Ren, Xiao-Ming","A water-stable open-framework zirconium(iv) phosphate and its water-assisted high proton conductivity","CrystEngComm","2021","23","35","6093","6097","10.1039/D1CE00852H","","","0.71073","MoKα","","0.0349","0.0315","","","0.1019","0.1046","","","","","","1.078","","","","has coordinates","269685","2021-10-06","14:53:20",""
"7243262","6.7098","0.0002","21.4689","0.0008","9.428","0.0002","90","","91.889","0.002","90","","1357.38","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu1-net]","","","- C30 H30 Cu N4 O8 -","- C30 H30 Cu N4 O8 -","- C60 H60 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.0509","0.0481","","","0.1099","0.1113","","","","","","1.303","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243263","8.6156","0.0001","11.3142","0.0001","14.8436","0.0002","90","","100.887","0.001","90","","1420.89","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu]n-2","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C60 H68 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.043","0.0424","","","0.1401","0.1406","","","","","","1.138","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243269","13.506","0.005","17.59","0.004","18.041","0.006","90","","97.01","0.02","90","","4254","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H65 N27 O23 Zn4 -","- C69 H65 N27 O23 Zn4 -","- C138 H130 N54 O46 Zn8 -","2","0.5","","Zhou, Yan; Han, Lei; Chen, Wen-Jie","Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework","CrystEngComm","2021","23","35","5982","5988","10.1039/D1CE00689D","","","0.71073","MoKα","","0.1743","0.0682","","","0.124","0.146","","","","","","1.023","","","","has coordinates","269690","2021-10-06","14:54:30",""
"7243272","10.3161","0.0003","14.7176","0.0004","16.3208","0.0004","90","","98.968","0.003","90","","2447.67","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Co N4 O5 -","- C29 H21 Co N4 O5 -","- C116 H84 Co4 N16 O20 -","4","1","","Zhao, Dongsheng; Song, Junqi; Zhang, Xiutang; Wang, Feng; Li, Bei; Yang, Lulu; Deng, Yuxin; Li, Qingbo; Fan, Liming","A pillar-layered binuclear 3D cobalt(ii) coordination polymer as an electrocatalyst for overall water splitting and as a chemosensor for Cr(vi) anion detection","CrystEngComm","2021","23","36","6245","6252","10.1039/D1CE00685A","","","0.71073","MoKα","","0.0644","0.0465","","","0.1172","0.1276","","","","","","1.044","","","","has coordinates","269675","2021-10-06","14:51:14",""
"7243273","4.928","0.0003","17.0736","0.0011","16.567","0.0011","90","","91.691","0.001","90","","1393.32","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Hg I2 N4 O -","- C10 H8 Hg I2 N4 O -","- C40 H32 Hg4 I8 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0205","0.0171","","","0.0315","0.0322","","","","","","1.115","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243274","19.052","0.002","59.023","0.007","4.0392","0.0005","90","","90","","90","","4542.1","0.9","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd I2 N8 O2 -","- C20 H16 Cd I2 N8 O2 -","- C160 H128 Cd8 I16 N64 O16 -","8","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.025","0.0244","","","0.0655","0.0656","","","","","","1.467","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243275","3.9055","0.0004","34.576","0.003","9.6848","0.0009","90","","101.416","0.001","90","","1281.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br2 Hg N4 O -","- C10 H8 Br2 Hg N4 O -","- C40 H32 Br8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0299","0.025","","","0.0421","0.0431","","","","","","1.153","","","","has coordinates","288154","2023-12-07","16:16:26",""
"7243276","3.8092","0.0004","33.691","0.004","9.6053","0.0011","90","","100.534","0.0015","90","","1211.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Hg N4 O -","- C10 H8 Cl2 Hg N4 O -","- C40 H32 Cl8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0272","0.0224","","","0.0395","0.0407","","","","","","1.12","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243277","7.5409","0.0007","11.8032","0.0011","13.1436","0.0013","79.856","0.001","89.98","0.001","74.499","0.001","1108.35","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N8 O2 Zn -","- C20 H16 Cl2 N8 O2 Zn -","- C40 H32 Cl4 N16 O4 Zn2 -","2","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0318","0.0254","","","0.0576","0.0601","","","","","","1.042","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243285","11.0881","0.0002","33.6789","0.0005","12.0491","0.0002","90","","108.137","0.002","90","","4275.99","0.13","169.99","0.1","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(((aquo)-N-(2-oxo-3-hydroxybenzylidene)isonicotinylhydrazonato)dioxomolybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H62 Mo12 N14 O54 -","- C56 H62 Mo12 N14 O54 -","- C112 H124 Mo24 N28 O108 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0503","0.0443","","","0.1281","0.1324","","","","","","1.094","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243286","7.9678","0.0003","10.7556","0.0006","18.9607","0.0007","83.396","0.004","83.567","0.003","73.581","0.004","1542.89","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0639","0.0416","","","0.0873","0.1026","","","","","","1.074","","","","has coordinates,has disorder","269676","2021-10-06","14:51:41",""
"7243287","9.4085","0.0004","16.2433","0.0005","17.3878","0.0004","116.276","0.003","95.232","0.003","93.035","0.003","2359.8","0.15","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0536","0.0515","","","0.1461","0.1482","","","","","","1.09","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243288","9.3622","0.0007","10.7026","0.0009","15.853","0.001","106.074","0.006","92.475","0.006","107.934","0.007","1437.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.1813","0.0738","","","0.103","0.1375","","","","","","0.985","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243289","10.8617","0.0004","10.9074","0.0004","13.8765","0.0006","97.652","0.003","107.915","0.003","114.577","0.004","1356.26","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-methoxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0464","0.0335","","","0.0772","0.0847","","","","","","1.136","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243290","7.5406","0.0006","8.665","0.0015","17.325","0.003","103.429","0.014","90.359","0.009","89.999","0.01","1101","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","[bis-(N'-(2-oxo-3-methoxybenzylidene)isonicotinoylhydrazonato)tetraoxodimolybdenum(vi) hexamolybdate","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","x-ray","0.71073","MoKα","","0.1783","0.0765","","","0.1486","0.1747","","","","","","0.78","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243291","10.2611","0.0002","10.5249","0.0002","15.9967","0.0002","100.373","0.001","104.041","0.002","106.41","0.002","1549.28","0.06","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0368","0.0342","","","0.0927","0.0944","","","","","","1.087","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243292","7.6794","0.0002","9.3605","0.0003","29.2326","0.0009","90","","89.706","0.003","90","","2101.3","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((aquo)-dioxo-(N-(2-oxy-3-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate","","- C26 H24 Mo8 N6 O31 -","- C26 H24 Mo8 N6 O31 -","- C52 H48 Mo16 N12 O62 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0827","0.0525","","","0.0952","0.1056","","","","","","1.089","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243293","10.5703","0.0002","11.3121","0.0002","14.2003","0.0002","107.159","0.001","102.412","0.001","105.877","0.002","1477.54","0.05","169.98","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0353","0.0315","","","0.0835","0.085","","","","","","1.105","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243294","21.0479","0.0004","8.6686","0.0002","29.2039","0.0005","90","","95.92","0.002","90","","5300","0.18","169.98","0.1","170.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[N'-(2-oxo-4-hydroxybenzylidene)isonicotinoylhydrazonato](acetonitrile)dioxomolybdenum(vi) hexamolybdate acetonitrile solvate","","- C34 H32 Mo8 N10 O29 -","- C34 H32 Mo8 N10 O29 -","- C136 H128 Mo32 N40 O116 -","4","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0442","0.0418","","","0.1177","0.1208","","","","","","1.081","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243295","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243296","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243297","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243298","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243299","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243300","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243301","6.3273","0.0004","12.3383","0.0007","29.2787","0.0016","90","","95.255","0.002","90","","2276.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C88 H112 N8 O24 S8 -","4","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71076","MoKα","","0.0943","0.0821","","","0.1799","0.1853","","","","","","1.223","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243302","39.252","0.005","13.2429","0.0016","11.3983","0.0015","90","","103.326","0.003","90","","5765.4","1.3","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O14 S3 -","- C26 H24 N2 O14 S3 -","- C208 H192 N16 O112 S24 -","8","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71073","MoKα","","0.0741","0.0626","","","0.1554","0.1612","","","","","","1.125","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243304","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243305","10.8154","0.0006","15.2133","0.0009","16.0136","0.0008","64.677","0.003","83.593","0.003","75.477","0.003","2305.5","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C96 H84 B4 F8 I4 N12 -","4","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.1079","0.0805","","","0.2111","0.2206","","","","","","1.069","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243306","16.712","0.0011","7.8829","0.0004","34.6268","0.0019","90","","90","","90","","4561.7","0.5","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C192 H168 B8 F16 I8 N24 -","8","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0639","0.0417","","","0.0925","0.1002","","","","","","1.043","","","","has coordinates","269684","2021-10-06","14:53:13",""
"7243307","13.2078","0.001","7.3883","0.0005","13.6241","0.0009","90","","110.544","0.003","90","","1244.93","0.15","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0289","0.0222","","","0.0459","0.049","","","","","","1.0562","","","","has coordinates","269695","2021-10-06","15:00:29",""
"7243308","13.857","0.0006","13.7638","0.0006","11.5041","0.0005","90","","104.737","0.002","90","","2121.94","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F8 I2 N2 -","- C20 H12 F8 I2 N2 -","- C80 H48 F32 I8 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0186","0.0164","","","0.0389","0.041","","","","","","1.0477","","","","has coordinates","269695","2021-10-06","15:00:38",""
"7243309","6.8796","0.0006","7.4209","0.0006","9.2086","0.0008","82.848","0.003","82.965","0.003","75.554","0.003","449.67","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0294","0.0258","","","0.0682","0.072","","","","","","1.054","","","","has coordinates","269695","2021-10-06","15:00:40",""
"7243310","5.7357","0.0001","6.2412","0.0001","10.6257","0.0001","86.11","0.001","74.656","0.001","77.418","0.001","357.986","0.009","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.021","0.0173","","","0.0373","0.0418","","","","","","1.0986","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243311","8.0424","0.0004","7.0976","0.0004","33.8513","0.0017","90","","94.497","0.002","90","","1926.34","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Br2 F8 N2 -","- C20 H6 Br2 F8 N2 -","- C80 H24 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0521","0.0341","","","0.0812","0.0928","","","","","","1.0666","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243312","7.3598","0.0005","11.2484","0.0008","13.8819","0.001","88.308","0.003","78.403","0.002","76.782","0.002","1095.78","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N2 -","- C24 H10 Br2 F8 N2 -","- C48 H20 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0359","0.0288","","","0.0586","0.0605","","","","","","1.0766","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243313","7.9217","0.0005","11.1526","0.0009","12.8382","0.001","105.19","0.004","107.58","0.002","90.334","0.003","1039.01","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C44 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0613","0.0453","","","0.0884","0.0951","","","","","","1.0647","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243314","4.8003","0.0002","6.6036","0.0002","10.9521","0.0004","83.796","0.003","84.121","0.003","79.072","0.003","337.69","0.02","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.0329","0.028","","","0.0614","0.0626","","","","","","1.0432","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243315","12.9213","0.0006","12.3927","0.0006","11.7294","0.0005","90","","90","","90","","1878.23","0.15","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 Br2 F8 N2 -","- C18 H8 Br2 F8 N2 -","- C72 H32 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0309","0.0216","","","0.0447","0.0473","","","","","","1.007","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243316","7.7281","0.0002","7.6981","0.0003","36.2272","0.0013","90","","91.551","0.001","90","","2154.43","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C88 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0299","0.0249","","","0.0495","0.0518","","","","","","1.0663","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243317","13.3837","0.0009","13.8699","0.001","11.1754","0.0008","90","","102.784","0.003","90","","2023.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br2 F8 N2 -","- C20 H12 Br2 F8 N2 -","- C80 H48 Br8 F32 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0179","0.0162","","","0.0412","0.0421","","","","","","1.0309","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243318","7.776","0.0004","10.0737","0.0006","14.895","0.0009","81.781","0.002","78.26","0.002","83.082","0.002","1125.59","0.11","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 Br2 F8 N2 -","- C24 H12 Br2 F8 N2 -","- C48 H24 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0235","0.0193","","","0.0468","0.0491","","","","","","1.0529","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243319","7.0459","0.0003","14.8959","0.0006","11.1802","0.0005","90","","102.71","0.0015","90","","1144.66","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 F4 N4 -","- C22 H24 Br2 F4 N4 -","- C44 H48 Br4 F8 N8 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0366","0.0277","","","0.0593","0.0658","","","","","","1.0569","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243320","7.4148","0.0005","11.4097","0.0007","21.198","0.0012","90.035","0.002","90.01","0.002","107.163","0.002","1713.5","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H10 Br4 F16 N2 -","- C36 H10 Br4 F16 N2 -","- C72 H20 Br8 F32 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0319","0.0243","","","0.0529","0.0565","","","","","","1.0571","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243321","7.7409","0.0004","11.2944","0.0006","12.7419","0.0008","73.313","0.002","72.443","0.002","89.944","0.002","1012.9","0.1","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N2 -","- C22 H8 Br2 F8 N2 -","- C44 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0785","0.0554","","","0.1159","0.1231","","","","","","1.0489","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243322","11.499","0.001","6.267","0.0005","19.965","0.0018","90","","98.291","0.003","90","","1423.7","0.2","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 F4 N2 -","- C14 H6 Br2 F4 N2 -","- C56 H24 Br8 F16 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.029","0.0208","","","0.0463","0.0523","","","","","","1.066","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243323","13.5292","0.0011","10.9229","0.0008","14.122","0.001","90","","108.47","0.003","90","","1979.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F8 I2 N2 -","- C18 H12 F8 I2 N2 -","- C72 H48 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0223","0.0191","","","0.0436","0.047","","","","","","1.0544","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243324","7.9651","0.0005","10.8942","0.0007","14.4024","0.001","108.756","0.002","105.483","0.002","90.273","0.003","1134.8","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N2 -","- C24 H10 F8 I2 N2 -","- C48 H20 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0308","0.0236","","","0.0503","0.058","","","","","","1.0903","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243325","13.1047","0.001","10.8097","0.0008","14.146","0.0011","90","","107.369","0.003","90","","1912.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 F8 N2 -","- C18 H12 Br2 F8 N2 -","- C72 H48 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0449","0.0297","","","0.0594","0.0661","","","","","","1.0284","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243326","13.1529","0.0017","18.502","0.003","15.239","0.003","90","","90","","90","","3708.5","1.1","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H12 F4 I2 N2 -","- C18 H12 F4 I2 N2 -","- C144 H96 F32 I16 N16 -","8","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0316","0.0239","","","0.0447","0.0503","","","","","","1.061","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243327","7.938","0.003","10.577","0.004","29.826","0.011","91.873","0.011","94.086","0.013","105.304","0.011","2405.8","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H18 Br6 F24 N3 -","- C45 H18 Br6 F24 N3 -","- C90 H36 Br12 F48 N6 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.041","0.0285","","","0.055","0.062","","","","","","1.0693","","","","has coordinates,has disorder","269695","2021-10-06","15:00:41",""
"7243328","7.7139","0.0006","12.2385","0.001","13.5005","0.0011","113.307","0.003","99.272","0.003","94.932","0.003","1139.37","0.16","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I2 N2 -","- C24 H8 F8 I2 N2 -","- C48 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0163","0.0143","","","0.034","0.0355","","","","","","1.0633","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243329","7.6092","0.0004","12.2473","0.0007","12.89","0.0008","111.115","0.002","100.664","0.002","95.114","0.002","1085.22","0.11","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 Br2 F8 N2 -","- C24 H8 Br2 F8 N2 -","- C48 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0222","0.0182","","","0.0413","0.0437","","","","","","1.0713","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243330","8.2738","0.0005","6.9896","0.0004","34.5606","0.0018","90","","93.006","0.002","90","","1995.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 F8 I2 N2 -","- C20 H6 F8 I2 N2 -","- C80 H24 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.021","0.0171","","","0.0361","0.0388","","","","","","1.0613","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243331","6.8925","0.0009","7.6625","0.001","8.623","0.0012","108.019","0.005","97.023","0.005","109.558","0.004","394.92","0.09","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0236","0.0199","","","0.0425","0.0455","","","","","","1.0716","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243332","7.6382","0.0004","15.066","0.0008","35.9783","0.0018","90","","90.815","0.002","90","","4139.9","0.4","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H16 Br4 F16 N4 -","- C44 H16 Br4 F16 N4 -","- C176 H64 Br16 F64 N16 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0377","0.0265","","","0.0544","0.0593","","","","","","1.074","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243333","12.6612","0.0011","12.5742","0.0012","12.2189","0.0011","90","","90","","90","","1945.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F8 I2 N2 -","- C18 H8 F8 I2 N2 -","- C72 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0274","0.0265","","","0.065","0.0658","","","","","","1.0488","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243334","7.7759","0.0002","9.1295","0.0002","11.648","0.0001","97.062","0.001","95.417","0.001","110.587","0.002","759.74","0.03","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F4 I2 N2 -","- C13 H10 F4 I2 N2 -","- C26 H20 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.035","0.0302","","","0.0809","0.1058","","","","","","1.258","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243335","7.9933","0.0007","10.05","0.001","15.0745","0.0014","80.124","0.003","78.66","0.003","83.953","0.003","1166.52","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F8 I2 N2 -","- C24 H12 F8 I2 N2 -","- C48 H24 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0184","0.0168","","","0.0389","0.0397","","","","","","1.0609","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243340","10.3439","0.0005","11.4569","0.0006","11.9709","0.0006","76.621","0.002","64.402","0.002","85.987","0.002","1243.97","0.11","298","2","298.01","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22.5 Cd2 N2 O12.75 -","- C21 H22.5 Cd2 N2 O12.75 -","- C42 H45 Cd4 N4 O25.5 -","2","1","","Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu","An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives","CrystEngComm","2021","23","35","6171","6179","10.1039/D1CE00939G","","","0.71073","MoKα","","0.0453","0.0302","","","0.0634","0.0688","","","","","","1.039","","","","has coordinates,has disorder","269692","2021-10-06","14:55:06",""
"7243341","9.19375","0.00021","12.33041","0.00024","3.016669","0.000051","90","","90","","90","","341.978","0.012","300","","300","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.228","","","","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243342","9.1828","0.0003","12.2766","0.0003","3.0091","0.0001","90","","90","","90","","339.227","0.018","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.043","0.0425","","","0.1203","0.1206","","","","","","1.968","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243343","9.1735","0.0002","12.2939","0.0003","3.0018","0.0001","90","","90","","90","","338.537","0.016","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B2 Cu Mn2 Ni3 O10 -","- B2 Cu Mn2 Ni3 O10 -","- B4 Cu2 Mn4 Ni6 O20 -","2","0.25","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.0418","0.0413","","","0.1266","0.127","","","","","","2.021","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243345","3.7462","0.0011","9.557","0.003","29.904","0.008","90","","90.357","0.005","90","","1070.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F2 O2 -","- C15 H8 F2 O2 -","- C60 H32 F8 O8 -","4","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0856","0.0478","","","0.1117","0.1273","","","","","","1.034","","","","has coordinates","268687","2021-09-06","10:32:12",""
"7243346","18.665","0.002","3.8338","0.0004","33.213","0.004","90","","95.3374","0.0017","90","","2366.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8.07 Cl1.93 O2 -","- C15 H8.07 Cl1.93 O2 -","- C120 H64.56 Cl15.44 O16 -","8","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0546","0.0443","","","0.1126","0.1199","","","","","","1.066","","","","has coordinates,has disorder","268687","2021-09-06","10:32:13",""
"7243347","8.6373","0.0005","10.47","0.0007","11.2282","0.0006","69.078","0.002","87.216","0.002","66.729","0.002","866.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0738","0.061","","","0.1965","0.205","","","","","","1.061","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243348","8.5037","0.0005","10.2366","0.0006","11.0539","0.0007","68.641","0.002","87.059","0.002","67.707","0.002","824.94","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0316","0.0288","","","0.0822","0.0838","","","","","","1.048","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243353","8.695","0.009","11.849","0.013","13.515","0.014","71.182","0.011","88.994","0.011","80.25","0.011","1298","2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl N5 O -","- C31 H28 Cl N5 O -","- C62 H56 Cl2 N10 O2 -","2","1","","Dhir, Abhimanew; Rajkumar, Madhu; Desiraju, Gautam R.","Cocrystal hydrate of Bandrowski's base and clotrimazole: a prospective ingredient for hair dye formulations","CrystEngComm","2021","23","32","5421","5424","10.1039/D1CE00751C","","","0.71075","MoKα","","0.2314","0.1016","","","0.2055","0.2649","","","","","","0.953","","","","has coordinates","268649","2021-09-06","10:24:21",""
"7243354","7.7083","0.0002","17.6112","0.0005","23.3347","0.0004","96.381","0.002","96.351","0.002","94.418","0.002","3115.98","0.13","123","2","123","","","","","","","","","3","P -1","-P 1","2","","HPyB-TCNQ","","- C78 H38 N20 -","- C78 H38 N20 -","- C156 H76 N40 -","2","1","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.1129","0.064","","","0.1731","0.2055","","","","","","1.028","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243355","7.7403","0.0001","17.6776","0.0002","23.7797","0.0002","96.408","0.001","96.97","0.001","94.633","0.001","3194.85","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H19 N10 -","- C39 H19 N10 -","- C156 H76 N40 -","4","2","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.0801","0.0638","","","0.194","0.2108","","","","","","1.069","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243356","8.0531","0.0005","8.0531","0.0005","6.9501","0.0008","90","","90","","90","","450.73","0.07","292.22","0.1","292.22","0.1","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.0625","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","x-ray","0.71073","MoKα","","0.0976","0.096","","","0.2515","0.2524","","","","","","1.33","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243357","18.4754","0.0008","18.4754","0.0008","18.4754","0.0008","90","","90","","90","","6306.4","0.5","298.15","","298.15","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu8 Na6 Se13 Sn3 -","- Cu8 Na6 Se13 Sn3 -","- Cu64 Na48 Se104 Sn24 -","8","0.0416667","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","","0.71073","MoKα","","0.0646","0.0442","","","0.0964","0.1068","","","","","","1.068","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243358","11.774","0.0009","12.4266","0.0012","17.269","0.002","90","","90","","90","","2526.6","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(2-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0759","0.0589","","","0.152","0.1682","","","","","","1.033","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243359","12.7104","0.0007","10.0355","0.0005","23.7593","0.0016","90","","90","","90","","3030.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(3-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0411","0.0327","","","0.0856","0.09","","","","","","1.06","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243360","6.0734","0.0004","15.4472","0.001","27.066","0.002","90","","90","","90","","2539.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(3-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0816","0.0852","","","","","","1.03","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243361","15.6551","0.0011","11.7852","0.0007","16.3034","0.0008","90","","90","","90","","3008","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(2-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0355","0.0321","","","0.0837","0.086","","","","","","1.049","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243362","9.606","0.0003","9.606","0.0003","23.5219","0.0013","90","","90","","120","","1879.7","0.13","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C2 H6 B12 K Li Na8 O30 -","- C2 H6 B12 K Li Na8 O30 -","- C6 H18 B36 K3 Li3 Na24 O90 -","3","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.039","0.0356","","","0.0881","0.0899","","","","","","1.097","","","","has coordinates","269669","2021-10-06","14:48:16",""
"7243363","9.3037","0.0019","10.863","0.002","13.007","0.003","90","","96.316","0.006","90","","1306.6","0.5","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Cs5 H8 Li O25 -","- B12 Cs5 H6.5 Li O25 -","- B24 Cs10 H13 Li2 O50 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0742","0.0666","","","0.1496","0.1548","","","","","","1.005","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243364","18.5529","0.0005","10.8877","0.0003","13.0326","0.0003","90","","96.274","0.002","90","","2616.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B24 Cs10 H16 Li2 O50 -","- B24 Cs10 H16 Li2 O50 -","- B48 Cs20 H32 Li4 O100 -","2","0.5","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0383","0.0368","","","0.082","0.0829","","","","","","1.089","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243367","12.2879","0.0011","13.4691","0.0013","15.8572","0.0015","67.268","0.009","89.258","0.008","63.953","0.009","2135.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H53 N5 Ni2 O10 S -","- C43 H53 N5 Ni2 O10 S -","- C86 H106 N10 Ni4 O20 S2 -","2","1","","Roy, Sourav; Sutradhar, Dipankar; Drew, Michael G. B.; Chattopadhyay, Shouvik","Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond","CrystEngComm","2021","23","38","6724","6735","10.1039/D1CE00855B","","","0.71073","MoKα","","0.1468","0.0798","","","0.1759","0.2123","","","","","","0.908","","","","has coordinates","270450","2021-11-06","19:59:59",""
"7243368","9.9901","0.0008","10.1477","0.0007","11.9438","0.0009","64.998","0.007","76.806","0.007","82.831","0.006","1067.84","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Eu N6 O8 -","- C21 H16 Eu N6 O8 -","- C42 H32 Eu2 N12 O16 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.046","0.0364","","","0.0696","0.0739","","","","","","0.976","","","","has coordinates","269667","2021-10-06","14:47:54",""
"7243369","8.2132","0.0005","9.955","0.0007","11.4034","0.0006","101.681","0.005","102.242","0.005","107.25","0.006","834.27","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N4 O7 Tb -","- C15 H10 N4 O7 Tb -","- C30 H20 N8 O14 Tb2 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.0382","0.0322","","","0.0716","0.0751","","","","","","1.076","","","","has coordinates","269667","2021-10-06","14:47:56",""
"7243371","4.4398","0.0003","19.0129","0.0011","13.8958","0.001","90","","92.18","0.003","90","","1172.14","0.13","149.59","","149.59","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0747","0.0576","","","0.1428","0.1548","","","","","","1.027","","","","has coordinates","268694","2021-09-06","10:33:30",""
"7243372","25.1344","0.0012","3.8736","0.0001","11.9831","0.0005","90","","90","","90","","1166.68","0.08","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0317","0.0238","","","0.0481","0.051","","","","","","1.01","","","","has coordinates","268694","2021-09-06","10:33:31",""
"7243373","19.1729","0.0001","5.8157","0.0001","22.9536","0.0001","90","","90","","90","","2559.41","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.039","0.019","","","","0.042","0.019","","","","","1.009","","","","has coordinates","269686","2021-10-06","14:53:55",""
"7243374","19.157","0.006","5.791","0.002","22.956","0.007","90","","90","","90","","2546.7","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.25","neutron","","0.0957","0.0886","","","0.2142","0.2274","","","","","","1.048","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243375","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0447","0.0263","","","0.0616","0.0678","","","","","","0.8748","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243376","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.055","0.019","","","","0.046","0.026","","","","","1.071","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243377","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C160 H192 N64 O112 -","16","2","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0466","0.0279","","","0.084","0.0963","","","","","","0.7239","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243378","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C20 H24 N8 O14 -","- C20 H24 N8 O14 -","- C160 H192 N64 O112 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.054","0.025","","","","0.053","0.025","","","","","1.028","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243379","6.8169","0.0005","7.3756","0.0005","8.5055","0.0006","105.538","0.002","90.512","0.002","111.867","0.002","379.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 Ni O6 -","- C5 H6 N2 Ni O6 -","- C10 H12 N4 Ni2 O12 -","2","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0421","0.0404","","","0.1039","0.1059","","","","","","1.067","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243380","7.7733","0.0005","9.819","0.0006","14.7763","0.001","90","","90","","90","","1127.82","0.13","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 Ni O5 -","- C10 H8 N4 Ni O5 -","- C40 H32 N16 Ni4 O20 -","4","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0468","0.042","","","0.1054","0.111","","","","","","1.0735","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243381","20.7074","0.0011","4.9052","0.0002","28.1381","0.0014","90","","90","","90","","2858.1","0.2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0435","","0.1074","0.0998","0.1074","","","","","","1.1689","","","","has coordinates","269680","2021-10-06","14:52:27",""
"7243382","20.3217","0.00004","4.7007","0.00001","27.4573","0.00003","90","","90","","90","","2622.89","0.008","293","","293","","","","760000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H43 N4 O4 Pt -","- C28 H43 N4 O4 Pt -","- C112 H172 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.08","0.08","","0.1652","0.1652","0.068","","","","","","1.0829","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243383","20.088","0.003","4.6778","0.0003","27.3616","0.0015","90","","90","","90","","2571.1","0.4","293","","293","","","","1430000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0827","0.0827","","0.1235","0.1235","0.1165","","","","","","1.0521","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243384","20.602","0.0017","4.8431","0.0001","27.9031","0.0007","90","","90","","90","","2784.1","0.2","293","","293","","","","140000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0603","","0.0932","0.0932","0.0932","","","","","","1.1217","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243385","18.0232","0.0011","18.0621","0.0009","24.6633","0.0016","90","","90.917","0.004","90","","8027.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H58 Cd2 N14 O10 -","- C84 H58 Cd2 N14 O10 -","- C336 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1374","0.0632","","","0.138","0.1701","","","","","","0.985","","","","has coordinates","268106","2021-08-17","22:42:14",""
"7243386","18.151","0.005","18.053","0.005","24.485","0.007","90","","90.522","0.004","90","","8023","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H58 Cd2 N14 O10 -","- C82 H58 Cd2 N14 O10 -","- C328 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1052","0.0525","","","0.1272","0.148","","","","","","0.976","","","","has coordinates","268106","2021-08-17","22:42:15",""
"7243387","14.0509","0.0007","10.1555","0.0005","17.9303","0.001","90","","103.03","0.002","90","","2492.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N3 O6 Zn -","- C27 H25 N3 O6 Zn -","- C108 H100 N12 O24 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.067","0.0559","","","0.1422","0.1521","","","","","","1.049","","","","has coordinates","269691","2021-10-06","14:54:53",""
"7243388","31.098","0.003","5.719","0.0004","23.853","0.002","90","","106.322","0.004","90","","4071.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N4 O7 Zn -","- C46 H44 N4 O7 Zn -","- C184 H176 N16 O28 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0871","0.0601","","","0.1325","0.1499","","","","","","1.04","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243389","33.183","0.007","8.9246","0.0018","15.409","0.003","90","","115.059","0.008","90","","4133.8","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H45 N7 O8 Zn -","- C43 H45 N7 O8 Zn -","- C172 H180 N28 O32 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.123","0.0763","","","0.1496","0.1701","","","","","","1.059","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243390","16.763","0.002","15.8859","0.0019","16.337","0.002","90","","108.155","0.004","90","","4133.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O10 Zn -","- C40 H52 N4 O10 Zn -","- C160 H208 N16 O40 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0996","0.0564","","","0.1332","0.16","","","","","","1.021","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243391","11.8153","0.0009","12.2801","0.0011","17.4928","0.0016","108.449","0.004","96.437","0.004","102.812","0.004","2301.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N5 O10 Zn -","- C48 H53 N5 O10 Zn -","- C96 H106 N10 O20 Zn2 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1056","0.0631","","","0.1551","0.1849","","","","","","1.054","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243392","16.8072","0.0009","16.4259","0.0008","24.7605","0.0015","90","","90","","90","","6835.7","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C74 H74 N8 O15 Zn2 -","- C74 H74 N8 O15 Zn2 -","- C296 H296 N32 O60 Zn8 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1321","0.0415","","","0.0739","0.1085","","","","","","0.92","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243393","11.4978","0.00015","11.4978","0.00015","5.62608","0.00008","90","","90","","90","","743.764","0.017","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B12 Cu5.994 Ni0.006 O24 -","- B12 Cu5.994 Ni0.006 O24 -","- B24 Cu11.988 Ni0.012 O48 -","2","0.125","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.58","","","","","","","has coordinates","270449","2021-11-06","19:59:36",""
"7243394","11.49731","0.00009","11.49731","0.00009","5.62593","0.00006","90","","90","","90","","743.681","0.011","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","1","0.0625","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.61","","","","","","","has coordinates","270449","2021-11-06","19:59:37",""
"7243403","6.312","0.0004","7.4057","0.0005","8.1661","0.0005","108.309","0.005","109.791","0.004","92.81","0.005","335.79","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","1","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","x-ray","1.54178","CuKα","","0.1149","0.0934","","","0.1831","0.1915","","","","","","1.29","","","","has coordinates","268153","2021-08-20","22:40:43",""
"7243404","7.0977","0.0003","7.7054","0.0004","10.1834","0.0005","79.516","0.002","85.59","0.003","70.03","0.003","514.64","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","1","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","","1.54178","CuKα","","0.1391","0.1137","","","0.2756","0.2917","","","","","","1.125","","","","has coordinates","268153","2021-08-20","22:40:44",""
"7243405","18.781","0.0012","7.6668","0.0005","17.9141","0.0008","90","","112.728","0.003","90","","2379.2","0.2","115","0.1","115","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O8 -","- C26 H22 N4 O8 -","- C104 H88 N16 O32 -","4","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","x-ray","0.71073","MoKα","","0.0746","0.054","","","0.1018","0.1134","","","","","","1.104","","","","has coordinates","268153","2021-08-20","22:40:44",""
"7243406","10.146","0.002","13.915","0.002","14.641","0.012","90","","96.29","0.07","90","","2054.6","1.8","290.6","0.3","290.6","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O6 S Zn -","- C23 H14 N2 O6 S Zn -","- C92 H56 N8 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Liu, Si-Rui; Wang, Si-Jin","Construction of a viologen-derived 2D material with photochromism, photoswitchable luminescence and inkless and erasable prints via sunlight irradiation","CrystEngComm","2021","23","36","6315","6321","10.1039/D1CE00900A","","x-ray","0.71073","MoKα","","0.0469","0.036","","","0.0757","0.0797","","","","","","1.068","","","","has coordinates","269679","2021-10-06","14:52:15",""
"7243407","8.125","0.0005","13.7648","0.0011","15.2241","0.0011","90","","90","","90","","1702.6","0.2","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0974","0.0906","","","0.259","0.266","","","","","","1.039","","","","has coordinates,has disorder","269674","2021-10-06","14:51:03",""
"7243408","11.0804","0.001","18.793","0.002","7.5692","0.0003","90","","98.945","0.006","90","","1557","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H17.322 N2 O2 -","- C76 H69.288 N8 O8 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0573","0.0447","","","0.0916","0.0995","","","","","","1.067","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243409","12.9151","0.0009","14.7249","0.0009","17.8978","0.0012","76.037","0.002","76.919","0.002","82.899","0.002","3208.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 Cu2 N4 O10.5 -","- C84 H58 Cu2 N4 O10.5 -","- C168 H116 Cu4 N8 O21 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1341","","","","","","1.032","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243410","11.41009","0.00012","16.18167","0.00018","16.91043","0.00019","90","","92.4308","0.001","90","","3119.44","0.06","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O5 Zn -","- C41 H28 N2 O5 Zn -","- C164 H112 N8 O20 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0805","0.0823","","","","","","1.022","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243411","7.639","0.002","14.165","0.004","14.697","0.004","95.51","0.02","104.51","0.02","96.46","0.02","1517","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C82 H60 N4 O8 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.1475","0.0907","","","0.2117","0.2438","","","","","","1.141","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243412","11.3049","0.0004","17.2598","0.0007","15.7727","0.0006","90","","92.748","0.0015","90","","3074","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O4 Zn -","- C41 H28 N2 O4 Zn -","- C164 H112 N8 O16 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0903","0.0482","","","0.0917","0.1069","","","","","","1.012","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243413","14.023","0.003","15.366","0.003","14.628","0.003","90","","109.68","0.03","90","","2967.9","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C160 H112 N8 O16 -","4","0.5","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0543","0.0364","","","0.0956","0.1008","","","","","","1.035","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243416","30.983","0.004","30.983","0.004","31.523","0.007","90","","90","","90","","30260","9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1048","0.0631","","","0.1582","0.1943","","","","","","1.006","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243417","31.0292","0.0005","31.0292","0.0005","31.3898","0.0006","90","","90","","90","","30222.5","0.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","0.71073","MoKα","","0.0851","0.0427","","","0.0835","0.0895","","","","","","0.807","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243418","31.008","0.004","31.008","0.004","30.85","0.004","90","","90","","90","","29662","7","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.0514","0.0432","","","0.1208","0.1296","","","","","","1.032","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243419","31.0353","0.0011","31.0353","0.0011","31.3981","0.0012","90","","90","","90","","30242.3","1.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1078","0.0976","","","0.2507","0.2673","","","","","","1.068","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243420","20.206","0.007","6.6378","0.0019","20.461","0.005","90","","116.74","0.02","90","","2450.8","1.3","298","","298","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C100 H128 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0927","0.0708","","","0.1952","0.2094","","","","","","1.003","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243421","6.943","0.003","17.066","0.006","20.466","0.008","90","","90","","90","","2425","1.7","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0824","0.0438","","","0.0841","0.0942","","","","","","0.831","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243422","19.945","0.01","6.698","0.004","18.303","0.01","90","","94.98","0.009","90","","2436","2","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N2 O7 -","- C23 H29 N2 O7 -","- C92 H116 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1203","0.0832","","","0.2214","0.2455","","","","","","0.945","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243423","21.387","0.01","6.419","0.003","18.467","0.008","90","","121.541","0.007","90","","2160.7","1.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H25 N2 O7 -","- C21 H25 N2 O7 -","- C84 H100 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1078","0.0728","","","0.1904","0.2199","","","","","","0.95","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243424","6.6594","0.0003","11.845","0.0005","26.345","0.0013","90","","90","","90","","2078.11","0.16","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0478","0.0461","","","0.1205","0.1224","","","","","","1.095","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243425","8.978","0.004","9.713","0.005","28.903","0.014","90","","90","","90","","2520","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1296","0.0495","","","0.0916","0.1102","","","","","","0.766","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243426","6.5187","0.0003","10.9299","0.0006","17.6311","0.0009","99.531","0.002","97.444","0.002","106.711","0.002","1165.47","0.1","100","","99.98","","","","","","","","","4","P 1","P 1","1","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","1","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.054","0.0444","","","0.1041","0.1131","","","","","","1.05","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243427","6.722","0.002","19.671","0.006","20.29","0.006","90","","90","","90","","2682.9","1.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O7 -","- C24 H28 F6 N2 O7 -","- C96 H112 F24 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.0591","","","0.1579","0.1813","","","","","","0.907","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243428","6.5291","0.0019","19.368","0.006","20.431","0.006","90","","90","","90","","2583.6","1.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C112 H136 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.051","","","0.0819","0.0982","","","","","","0.825","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243429","15.5984","0.0005","15.7897","0.0005","23.5416","0.0007","90","","90","","90","","5798.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 N3 O7.5 S -","- C29 H33 N3 O7.5 S -","- C232 H264 N24 O60 S8 -","8","2","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0468","0.0447","","","0.1184","0.1203","","","","","","1.035","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7243430","30.0476","0.0016","6.6972","0.0003","21.922","0.0012","90","","127.752","0.007","90","","3488","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","AS-CND","","- C38 H50 N2 O9 -","- C38 H50 N2 O9 -","- C152 H200 N8 O36 -","4","1","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","","1.54178","CuKα","","0.0791","0.0692","","","0.155","0.16","","","","","","1.077","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243431","6.7848","0.0003","10.6171","0.0005","15.4805","0.0008","98.689","0.002","97.586","0.002","108.323","0.002","1027.12","0.09","100","","100","","","","","","","","","5","P 1","P 1","1","","QN HCl 2H2O","","- C20 H29 Cl N2 O4 -","- C20 H29 Cl N2 O4 -","- C40 H58 Cl2 N4 O8 -","2","2","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","x-ray","1.54178","CuKα","","0.0816","0.0804","","","0.2147","0.2213","","","","","","1.099","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243435","11.0719","0.0007","13.1489","0.001","11.7587","0.0006","90","","98.256","0.002","90","","1694.13","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","1","0.25","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1398","0.0635","","","0.0912","0.1158","","","","","","1.064","","","","has coordinates","269681","2021-10-06","14:52:36",""
"7243436","9.4348","0.0014","9.9705","0.0016","11.5494","0.0018","68.346","0.003","83.463","0.003","76.625","0.003","981.9","0.3","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Co N3 O5 -","- C22 H14 Co N3 O5 -","- C44 H28 Co2 N6 O10 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.0582","0.0444","","","0.1305","0.1545","","","","","","1.151","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243437","10.0359","0.0006","14.6155","0.001","19.1561","0.0014","76.537","0.002","89.864","0.003","89.195","0.002","2732.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Co3 N8 O17 -","- C50 H34 Co3 N8 O17 -","- C100 H68 Co6 N16 O34 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1011","0.064","","","0.1601","0.1791","","","","","","1.053","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243438","7.908","0.0002","9.0612","0.0002","18.642","0.0003","95.133","0.002","100.853","0.002","107.104","0.002","1238.88","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","x-ray","1.54184","CuKα","","0.0365","0.0349","","","0.0909","0.0946","","","","","","1.064","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243439","6.1936","0.0005","15.2015","0.0012","18.859","0.0014","71.913","0.001","89.28","0.001","89.947","0.002","1687.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","","0.71073","MoKα","","0.0905","0.0501","","","0.0995","0.128","","","","","","1.01","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243451","25.85","0.005","13.375","0.003","27.037","0.005","90","","91.89","0.03","90","","9343","3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C17 H88 Ce2.5 N2.5 O91 P4 W16 -","- C14 H16 Ce2.5 N O85.5 P4 W16 -","- C56 H64 Ce10 N4 O342 P16 W64 -","4","1","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains","CrystEngComm","2021","23","35","5989","5993","10.1039/D1CE00896J","","","0.71073","MoKα","","0.0708","0.0692","","","0.1891","0.1919","","","","","","1.019","","","","has coordinates,has disorder","269689","2021-10-06","14:54:23",""
"7243452","7.177","0.0014","7.455","0.0015","11.03","0.002","105.64","0.03","97.57","0.03","90.8","0.03","562.6","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","1","0.5","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.63","synchrotron","","0.1284","0.0943","","","0.2936","0.317","","","","","","1.115","","","","has coordinates,has disorder","268334","2021-08-31","22:44:22",""
"7243453","6.633","0.0013","8.53","0.0017","19.929","0.004","90","","94.24","0.03","90","","1124.5","0.4","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O2 S -","- C24 H30 N4 O2 S -","- C48 H60 N8 O4 S2 -","2","1","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.61","synchrotron","","0.0583","0.0545","","","0.1556","0.1585","","","","","","1.051","","","","has coordinates","268334","2021-08-31","22:44:23",""
"7243455","8.748","0.0008","8.7951","0.0008","15.4152","0.0018","96.274","0.009","97.889","0.009","98.627","0.008","1151.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C56 H48 N4 O10 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.1562","0.0612","","","0.072","0.0916","","","","","","1.04","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243456","7.9646","0.0015","12.144","0.002","14.685","0.003","112.558","0.002","90.032","0.003","99.526","0.002","1290.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C62 H52 N8 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0876","0.0543","","","0.1512","0.1745","","","","","","1.029","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243457","8.8551","0.0007","9.9074","0.0007","14.9941","0.0012","103.891","0.006","95.539","0.006","112.603","0.007","1152.44","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N2 O4 -","- C31 H21 N2 O4 -","- C62 H42 N4 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.086","0.0582","","","0.1416","0.1642","","","","","","1.042","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243458","9.065","0.001","12.112","0.002","13.231","0.003","110.005","0.017","94.095","0.012","105.378","0.013","1294.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N3 O4 -","- C35 H25 N3 O4 -","- C70 H50 N6 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.193","0.087","","","0.1564","0.205","","","","","","1.009","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243459","7.6359","0.0005","13.6124","0.0009","14.8657","0.0008","103.866","0.005","103.123","0.005","100.924","0.005","1411.53","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N6 O4 -","- C34 H26 N6 O4 -","- C68 H52 N12 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0883","0.0538","","","0.1294","0.1515","","","","","","1.017","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243460","7.1375","0.0007","12.3754","0.0011","19.214","0.0016","94.647","0.007","98.852","0.007","98.195","0.008","1650.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N5 O9 -","- C33 H29 N5 O9 -","- C66 H58 N10 O18 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.2393","0.1364","","","0.283","0.3282","","","","","","1.069","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243461","9.7458","0.0003","9.7458","0.0003","74.416","0.002","90","","90","","90","","7068.1","0.4","340","1","340","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","0.25","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1497","0.0747","","","0.1741","0.2294","","","","","","0.93","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243462","9.478","0.0003","9.9772","0.0003","74.311","0.002","91.03","0.003","90.423","0.002","90.136","0.003","7025.8","0.4","315","1","315","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1607","0.0847","","","0.1527","0.1954","","","","","","1.043","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243463","9.31052","0.00018","9.9603","0.0002","74.2011","0.0015","91.3016","0.0016","90.4551","0.0016","90.3631","0.0016","6878.9","0.2","180","1","180","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1027","0.0776","","","0.1211","0.1314","","","","","","1.113","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243464","9.38534","0.00017","9.99249","0.00019","74.2113","0.0014","91.1767","0.0015","90.4551","0.0015","90.1829","0.0015","6958","0.2","280","1","280","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0988","0.0593","","","0.1022","0.1221","","","","","","0.991","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243465","9.28488","0.00018","9.9294","0.0002","74.1606","0.0014","91.2956","0.0017","90.4755","0.0015","90.4013","0.0018","6834.9","0.2","130","1","130","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0974","0.0719","","","0.1386","0.1494","","","","","","1.089","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243466","9.3549","0.0002","9.9886","0.0003","74.2441","0.0018","91.25","0.002","90.478","0.002","90.243","0.002","6935.6","0.3","240","1","240","0.1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1116","0.0678","","","0.1254","0.1432","","","","","","1.027","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243467","7.3905","0.0002","8.8156","0.0003","16.4817","0.0005","90","","90","","90","","1073.81","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 Ca3 K2 O12 -","- C4 Ca3 K2 O12 -","- C16 Ca12 K8 O48 -","4","1","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D.","High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4","CrystEngComm","2021","23","38","6675","6681","10.1039/D1CE00882J","","x-ray","0.71073","MoKα","","0.0358","0.0266","","","0.0532","0.0558","","","","1.351","1.351","1.3081","","","","has coordinates","270447","2021-11-06","19:59:15",""
"7243468","9.0827","0.0004","9.5303","0.0005","15.2656","0.0005","81.275","0.004","78.069","0.003","85.015","0.004","1275.79","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 2,4-dicarboxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,4-dicarboxybenzoate","","- C31 H23 Cl N2 O6 -","- C31 H23 Cl N2 O6 -","- C62 H46 Cl2 N4 O12 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.041","0.0365","","","0.0917","0.0951","","","","","","1.038","","","","has coordinates","270436","2021-11-06","19:54:37",""
"7243469","9.1618","0.0007","10.0986","0.0008","14.4711","0.001","80.377","0.006","78.44","0.006","86.267","0.006","1292.58","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-dinitrosalicylate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2-hydroxy-3,5-dinitrobenzoate","","- C29 H21 Cl N4 O7 -","- C29 H21 Cl N4 O7 -","- C58 H42 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1457","0.0657","","","0.1546","0.196","","","","","","1.027","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243470","9.4734","0.0004","12.1901","0.0006","13.6109","0.0007","78.39","0.004","71.852","0.004","89.207","0.004","1461.05","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 4-Carboxy-1-naphthoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 4-Carboxy-1-naphthoate","","- C36 H31 Cl N2 O5 -","- C36 H31 Cl N2 O5 -","- C72 H62 Cl2 N4 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0767","0.0653","","","0.1733","0.1862","","","","","","1.049","","","","has coordinates,has disorder","270436","2021-11-06","19:54:40",""
"7243471","8.7637","0.0005","9.2884","0.0005","15.7219","0.0008","106.107","0.005","103.639","0.005","90.928","0.005","1190.29","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3-Nitrobenzoic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole 3-Nitrobenzoic acid","","- C29 H22 Cl N3 O4 -","- C29 H22 Cl N3 O4 -","- C58 H44 Cl2 N6 O8 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0958","0.0674","","","0.1702","0.1921","","","","","","1.036","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243472","8.6793","0.0003","10.6795","0.0006","13.6524","0.0007","95.603","0.004","95.284","0.004","97.549","0.004","1241.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Indole-6-carboxylic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole Indole-6-carboxylic acid","","- C31 H24 Cl N3 O2 -","- C31 H24 Cl N3 O2 -","- C62 H48 Cl2 N6 O4 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.076","0.0538","","","0.122","0.1395","","","","","","1.045","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243473","9.0175","0.0004","9.9958","0.0005","16.7343","0.0008","86.397","0.004","75.472","0.004","86.959","0.004","1456.18","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Syringic acid","1-((2-chlorophenyl)diphenylmethyl)-1h-imidazol 4-Hydroxy-3,5-dimethoxybenzoic acid","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C66 H60 Cl2 N6 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0571","0.0475","","","0.1192","0.1273","","","","","","1.05","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243474","21.0772","0.0007","8.2738","0.0003","13.8978","0.0005","90","","90","","90","","2423.62","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Clotrimazole 2,3-dihydroxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,3-dihydroxybenzoate","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C116 H92 Cl4 N8 O16 -","4","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0649","0.0507","","","0.1065","0.1188","","","","","","1.076","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243475","11.7142","0.0006","15.503","0.0007","16.6489","0.0008","69.389","0.004","89.642","0.004","89.69","0.004","2829.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazolium Pyromellitate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium trihydrogen 1,2,4,5-Benzenetetracarboxylate","","- C32 H23 Cl N2 O8 -","- C32 H23 Cl N2 O8 -","- C128 H92 Cl4 N8 O32 -","4","2","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1314","0.0705","","","0.1596","0.2005","","","","","","1.029","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243476","8.8976","0.0004","12.8529","0.0007","13.9071","0.0007","102.931","0.004","98.041","0.004","106.569","0.004","1449.97","0.14","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-Dinitrobenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 3,5-Dinitrobenzoate","","- C31 H27 Cl N4 O7 -","- C31 H27 Cl N4 O7 -","- C62 H54 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0648","0.0482","","","0.1157","0.128","","","","","","1.03","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243477","23.728","0.003","13.165","0.002","30.085","0.006","90","","90","","90","","9398","3","175","2","175","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H12 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.0562","0.0456","","","0.1368","0.1425","","","","","","1.052","","","","has coordinates","268482","2021-09-04","19:55:38",""
"7243478","15.135","0.004","22.028","0.005","18.37","0.004","90","","101.248","0.004","90","","6007","2","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","2","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.085","0.044","","","0.111","0.119","","","","","","1.004","","","","has coordinates","268482","2021-09-04","19:55:39",""
"7243483","8.09","0.003","16.018","0.007","3.5317","0.0014","90","","101.284","0.004","90","","448.8","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 Ho O10 -","- B3 Ca4.0004 Ho0.9996 O10 -","- B6 Ca8.0008 Ho1.9992 O20 -","2","0.5","","Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang","Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal","CrystEngComm","2021","23","37","6574","6581","10.1039/D1CE00816A","","x-ray","0.71073","MoKα","","0.0292","0.0291","","","0.0777","0.0777","","","","","","1.063","","","","has coordinates,has disorder","269672","2021-10-06","14:49:41",""
"7243484","19.133","0.005","24.566","0.007","15.782","0.005","90","","108.873","0.006","90","","7019","4","100","2","100","2","","","","","","","Co-precipitation and slow evaporation","3","C 1 2 1","C 2y","5","Beta-cyclodextrin valproic acid 19.0 hydrate","'5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 2-propylpentanoic acid 19.9 hydrate'","","- C100 H210 O93 -","- C84 H130 O89.184 -","- C168 H260 O178.368 -","2","0.5","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.132","0.0997","","","0.2742","0.3047","","","","","","1.12","","","","has coordinates","269670","2021-10-06","14:48:45",""
"7243485","10.396","0.002","15.111","0.003","25.494","0.005","83.247","0.004","81.556","0.004","89.475","0.004","3933.9","1.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","DIMEB valproic acid clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin 2-propylpentanoic acidhydrate (2:2:3.9)","","- C129 H237.8 O77.88 -","- C129 H226 O77.87 -","- C129 H226 O77.87 -","1","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1494","0.1055","","","0.2904","0.3294","","","","","","1.186","","","","has coordinates","269670","2021-10-06","14:48:57",""
"7243486","15.337","0.003","20.728","0.004","23.104","0.005","90","","90","","90","","7345","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","permethylated alpha-cyclodextrin valproic acid hydrate","hexakis-(2,3,6-tri-O-methyl)-cyclomaltohexaose 2-propylpentanoic acid clathrate hydrate","","- C62 H114.4 O33.2 -","- C62 H112 O32.5 -","- C248 H448 O130 -","4","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1342","0.0676","","","0.1482","0.1761","","","","","","1.016","","","","has coordinates,has disorder","269670","2021-10-06","14:49:00",""
"7243487","23.745","0.004","23.745","0.004","23.1","0.005","90","","90","","90","","13024","4","293","2","293","2","","","","","","","","3","P 4 21 2","P 4ab 2ab","90","tris(gamma-cyclodextrin) tetrakis(valproic acid) clathrate hydrate","tris(cyclooctylamylose) tetrakis(2-propylpentanoic acid) clathrate hydrate","","- C176 H402 O177 -","- C144 H216 O155.88 -","- C288 H432 O311.76 -","2","0.25","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1554","0.1431","","","0.4024","0.4101","","","","","","1.73","","","","has coordinates","269670","2021-10-06","14:49:10",""
"7243488","13.5174","0.0003","13.5174","0.0003","14.9399","0.0003","90","","90","","90","","2729.82","0.1","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I.","The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals","CrystEngComm","2021","23","37","6599","6609","10.1039/D1CE00556A","","x-ray","0.71073","MoKα","","0.0393","0.0285","","","0.0614","0.0644","","","","1.7897","1.7897","1.6973","","","","has coordinates","269673","2021-10-06","14:49:48",""
"7243489","15.186","0.003","15.21","0.003","26.964","0.005","91.53","0.03","102.04","0.03","91.69","0.03","6085","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","catena-[(m-N,N''-(biphenyl-4,4'-diyl)diisonicotinamide)-bis(m-biphenyl-4,4'-dicarboxylato)-di-zinc(ii)guest N,N-dimethylformamide solvate]","","- C94 H83 N8 O18 Zn3 -","- C94 H83 N8 O18 Zn3 -","- C188 H166 N16 O36 Zn6 -","2","1","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","Synchrotron","","0.0713","0.0705","","","0.2002","0.2007","","","","","","1.044","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243490","21.473","0.005","21.553","0.0009","26.886","0.002","94.896","0.003","102.406","0.008","89.986","0.014","12106","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C521.4 H529.2 N35.8 O89.2 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","","","0.0589","0.0534","","","0.1407","0.1462","","","","","","1.038","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243491","15.263","0.003","30.497","0.006","26.95","0.005","89.2","0.03","82.16","0.03","87.8","0.03","12418","4","100","","100.15","","","","","","","","","5","P -1","-P 1","2","PUM168@propofol","","","- C126.62 H125.75 N7.62 O20.25 Zn3 -","- C126.625 H125.75 N7.625 O20.25 Zn3 -","- C506.5 H503 N30.5 O81 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","synchrotron","","0.0918","0.0898","","","0.2695","0.2716","","","","","","1.042","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243492","7.3212","0.0014","9.9861","0.0019","19.292","0.003","78.231","0.012","89.49","0.013","77.581","0.013","1347.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H15 N6 -","- C39 H15 N6 -","- C78 H30 N12 -","2","1","","Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong","Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph","CrystEngComm","2021","23","40","7132","7140","10.1039/D1CE00741F","","","0.71073","MoKα","","0.1582","0.0663","","","0.1465","0.1955","","","","","","0.985","","","","has coordinates","270441","2021-11-06","19:56:27",""
"7243497","7.385","0.003","7.98","0.003","8.186","0.003","65.269","0.008","89.12","0.009","70.156","0.009","407.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Co0.5 N3 O4 -","- C6 H7 Co0.5 N3 O4 -","- C12 H14 Co N6 O8 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.1023","0.0853","","","0.2255","0.2435","","","","","","1.049","","","","has coordinates","270412","2021-11-06","19:47:44",""
"7243498","7.1998","0.0011","10.346","0.0016","12.6281","0.0019","73.713","0.003","84.815","0.003","79.798","0.003","887.8","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.0464","0.0394","","","0.0964","0.0992","","","","","","1.064","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243499","10.3709","0.0007","10.4034","0.0008","13.8572","0.0009","71.806","0.006","86.047","0.006","88.735","0.006","1416.96","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","x-ray","0.71073","MoKα","","0.0758","0.0523","","","0.142","0.1571","","","","","","1.003","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243509","16.8468","0.0003","20.5523","0.0004","8.3102","0.0002","90","","90.541","0.002","90","","2877.2","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Li N4 O8 -","- C28 H36 Li N4 O8 -","- C112 H144 Li4 N16 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","1.54178","CuKα","K-L~3~","0.0554","0.0388","","","0.0929","0.1014","","","","","","1.03","","","","has coordinates,has disorder","270446","2021-11-06","19:58:57",""
"7243510","8.0221","0.0002","13.6455","0.0003","18.3816","0.0005","80.507","0.002","85.505","0.002","85.457","0.002","1973.99","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 K N8 O8 -","- C40 H40 K N8 O8 -","- C80 H80 K2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0597","0.0405","","","0.0976","0.1042","","","","","","1.06","","","","has coordinates","270446","2021-11-06","19:58:59",""
"7243511","8.1103","0.0002","13.6858","0.0004","17.7029","0.0005","78.737","0.002","86.244","0.002","85.714","0.002","1919.11","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N8 Na O8 -","- C40 H40 N8 Na O8 -","- C80 H80 N16 Na2 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0583","0.0375","","","0.0879","0.0946","","","","","","1.037","","","","has coordinates","270446","2021-11-06","19:59:02",""
"7243512","17.191","0.002","20.518","0.002","8.3079","0.0009","90","","90.131","0.006","90","","2930.4","0.5","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 Na O8 -","- C28 H36 N4 Na O8 -","- C112 H144 N16 Na4 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","","0.71075","MoKα","K-L~2,3~","0.1905","0.0839","","","0.1982","0.2922","","","","","","1.016","","","","has coordinates,has disorder","270446","2021-11-06","19:59:04",""
"7243513","8.2066","0.0004","13.7299","0.0006","17.8792","0.0008","72.441","0.004","83.006","0.004","86.623","0.004","1905.87","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Li N8 O8 -","- C40 H40 Li N8 O8 -","- C80 H80 Li2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.1237","0.0529","","","0.0987","0.1151","","","","","","0.995","","","","has coordinates","270446","2021-11-06","19:59:04",""
"7243514","6.869","0.003","9.873","0.004","15.041","0.006","90","","90","","90","","1020","0.7","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs H2 Mn O10 V3 -","- Cs H2 Mn O10 V3 -","- Cs4 H8 Mn4 O40 V12 -","4","0.5","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0219","0.0191","","","0.0501","0.0517","","","","","","1.005","","","","has coordinates","270431","2021-11-06","19:52:04",""
"7243515","13.569","0.0003","13.569","0.0003","8.5361","0.0004","90","","90","","90","","1571.65","0.09","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cs4.34 H5.93 Mn1.83 O26.97 V8 -","- Cs4.3412 H5.9288 Mn1.8288 O26.9644 V8 -","- Cs8.6824 H11.8576 Mn3.6576 O53.9288 V16 -","2","0.125","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0202","0.0192","","","0.04","0.0406","","","","","","1.172","","","","has coordinates,has disorder","270431","2021-11-06","19:52:07",""
"7243516","10.7972","0.0005","13.496","0.0006","13.6852","0.0007","62.208","0.005","86.974","0.004","67.181","0.004","1605.91","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 Ag2 B2 F8 N8 S4 -","- C20 H28 Ag2 B2 F8 N8 S4 -","- C40 H56 Ag4 B4 F16 N16 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","0.71073","MoKα","","0.0538","0.0413","","","0.1232","0.1317","","","","","","1.167","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243517","10.0969","0.0005","18.6753","0.0008","7.9739","0.0003","90","","92.264","0.001","90","","1502.41","0.11","102","2","102","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","AB160","","","- C10 H14 Ag Cl N4 O4 S2 -","- C10 H14 Ag Cl N4 O4 S2 -","- C40 H56 Ag4 Cl4 N16 O16 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","","0.71073","MoKα","","0.0361","0.0318","","","0.0723","0.0751","","","","","","1.113","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243518","12.0332","0.0006","6.5856","0.0004","22.1176","0.0011","90","","102.28","0.005","90","","1712.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Ag2 N6 O6 S2 -","- C10 H14 Ag2 N6 O6 S2 -","- C40 H56 Ag8 N24 O24 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0881","0.0773","","","0.1936","0.2055","","","","","","1.049","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243519","8.7766","0.0005","10.4029","0.0008","11.8505","0.0009","86.302","0.006","81.916","0.006","86.791","0.006","1067.79","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O6 S4 -","- C12 H14 Ag2 F6 N4 O6 S4 -","- C24 H28 Ag4 F12 N8 O12 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0459","0.0362","","","0.0887","0.0958","","","","","","1.02","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243520","16.532","0.0015","11.115","0.0007","27.2509","0.0018","90","","99.442","0.008","90","","4939.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ag3 F18 N12 P3 S6 -","- C30 H42 Ag3 F18 N12 P3 S6 -","- C120 H168 Ag12 F72 N48 P12 S24 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.1129","0.077","","","0.197","0.2273","","","","","","0.977","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243521","28.89","0.004","5.5858","0.0008","28.523","0.003","90","","104.4","0.02","90","","4458.3","1.1","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F42 I2 N4 O -","- C32 H8 F42 I2 N4 O -","- C128 H32 F168 I8 N16 O4 -","4","1","","Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals","CrystEngComm","2021","23","41","7324","7333","10.1039/D1CE01001H","","","0.71073","MoKα","","0.1009","0.0493","","","0.0924","0.1095","","","","","","1.037","","","","has coordinates,has disorder","270413","2021-11-06","19:47:53",""
"7243534","8.6398","0.0005","19.4072","0.001","10.7039","0.0006","90","","101.237","0.003","90","","1760.36","0.17","99.87","","99.87","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-iodophenyl)quinoxaline","","- C20 H12 I2 N2 -","- C20 H12 I2 N2 -","- C80 H48 I8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0854","0.0461","","","0.0947","0.1067","","","","","","1.022","","","","has coordinates","270437","2021-11-06","19:55:09",""
"7243535","13.368","0.003","7.5374","0.0012","16.175","0.004","90","","104.64","0.009","90","","1576.9","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-chlorophenyl)quinoxaline","","- C20 H12 Cl2 N2 -","- C20 H12 Cl2 N2 -","- C80 H48 Cl8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0917","0.045","","","0.0847","0.1008","","","","","","1.012","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243536","12.7621","0.0018","7.6916","0.0009","15.439","0.002","90","","101.23","0.007","90","","1486.5","0.3","99.82","","99.82","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-fluorophenyl)quinoxaline","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C80 H48 F8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1424","0.0592","","","0.1002","0.1237","","","","","","1.018","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243537","12.313","0.004","7.563","0.002","17.916","0.005","90","","102.333","0.011","90","","1629.9","0.8","99.78","","99.78","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-di-m-tolylquinoxaline","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1509","0.085","","","0.2017","0.2449","","","","","","1.036","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243538","6.2638","0.0003","10.7726","0.0004","12.388","0.0004","111.317","0.003","96.567","0.003","105.524","0.004","729.15","0.06","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cd N2 O5 S -","- C15 H13 Cd N2 O5 S -","- C30 H26 Cd2 N4 O10 S2 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0545","0.0549","","","","","","1.128","","","","has coordinates","270425","2021-11-06","19:50:58",""
"7243539","7.5153","0.0006","9.8544","0.0008","10.3104","0.0009","62.368","0.008","76.205","0.007","67.714","0.007","624.13","0.1","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cd N O4 -","- C14 H10 Cd N2 O4 -","- C28 H20 Cd2 N4 O8 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","x-ray","0.71073","MoKα","","0.0382","0.0326","","","0.0776","0.0797","","","","","","1.074","","","","has coordinates","270425","2021-11-06","19:50:59",""
"7243540","9.4083","0.0016","13.686","0.002","18.288","0.003","90","","99.846","0.005","90","","2320.1","0.6","150","2","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 N7 O13 Zn2 -","- C39 H37 N7 O13 Zn2 -","- C78 H74 N14 O26 Zn4 -","2","0.5","","Wu, Qi; Yang, Xiao-Li; Ding, Ze-Yu; Meng, Xiao-Yun; Zhang, Wen-Yan; Yan, Yang-Tian; Yang, Guo-Ping; Wang, Yao-Yu","A multi-functional two-dimensional Zn(ii)-organic framework for selective carbon dioxide adsorption, sensing of nitrobenzene and Cr2O72−","CrystEngComm","2021","23","43","7643","7649","10.1039/D1CE01095F","","","0.71073","MoKα","","0.0975","0.0704","","","0.1988","0.221","","","","","","1.114","","","","has coordinates","271168","2021-12-07","03:05:30",""
"7243541","10.3931","0.0014","16.027","0.002","14.996","0.002","90","","98.243","0.002","90","","2472.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.1085","0.0655","","","0.1677","0.1878","","","","","","1.042","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243542","10.4014","0.0011","16.133","0.0017","14.6878","0.0015","90","","98.482","0.002","90","","2437.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0749","0.043","","","0.0959","0.1071","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243543","10.114","0.003","16.501","0.004","14.7","0.004","90","","97.159","0.004","90","","2434.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co I1.6 N2 O4 -","- C24 H16 Co I1.6 N2 O4 -","- C96 H64 Co4 I6.4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0934","0.0687","","","0.1838","0.1956","","","","","","1.11","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243544","10.2197","0.0005","16.1263","0.0008","14.8826","0.0007","90","","98.059","0.002","90","","2428.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16.5 N2 O4.25 Zn -","- C24 H16 N2 O4.25 Zn -","- C96 H64 N8 O17 Zn4 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0715","0.0508","","","0.1329","0.1459","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243546","27.0844","0.0011","27.0844","0.0011","22.219","0.002","90","","90","","120","","14115.4","1.5","297","","297","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O4 -","- C22 H14 Co N2 O4 -","- C396 H252 Co18 N36 O72 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0914","0.0651","","","0.1736","0.1891","","","","","","1.035","","","","has coordinates","271167","2021-12-07","03:05:20",""
"7243547","25.1587","0.0007","12.6586","0.0003","16.9319","0.0005","90","","102.447","0.003","90","","5265.6","0.3","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 Co N3 O5 -","- C29 H18 Co N3 O5 -","- C232 H144 Co8 N24 O40 -","8","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0872","0.0605","","","0.1564","0.1741","","","","","","1.037","","","","has coordinates,has disorder","271167","2021-12-07","03:05:21",""
"7243548","10.1206","0.0003","13.677","0.0005","15.8965","0.0005","70.383","0.001","78.221","0.001","83.458","0.001","2026.56","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","1","0.5","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0293","0.0269","","","0.0853","0.087","","","","","","1.08","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243549","27.0648","0.0013","27.0648","0.0013","22.965","0.003","90","","90","","120","","14568","2","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O5 -","- C22 H13 Co N2 O5 -","- C396 H234 Co18 N36 O90 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0672","0.0559","","","0.1498","0.1585","","","","","","1.04","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243550","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","270443","2021-11-06","19:57:22",""
"7243551","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243552","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243553","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243554","12.1233","0.0004","8.2762","0.0003","11.5289","0.0004","90","","99.076","0.001","90","","1142.27","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 K2 N10 O5 -","- C4 H2 K2 N10 O5 -","- C16 H8 K8 N40 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0566","0.0467","","","0.1109","0.1196","","","","","","1.041","","","","has coordinates","271165","2021-12-07","03:03:46",""
"7243555","12.6801","0.0005","8.2805","0.0003","11.665","0.0005","90","","97.819","0.002","90","","1213.41","0.08","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0705","0.0499","","","0.0975","0.1061","","","","","","1.086","","","","has coordinates","271165","2021-12-07","03:03:57",""
"7243556","9.4839","0.0005","9.0436","0.0005","22.4984","0.0013","90","","90","","90","","1929.66","0.18","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C32 H32 N80 O40 -","8","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.1104","0.0472","","","0.0964","0.1313","","","","","","1.142","","","","has coordinates","271165","2021-12-07","03:04:07",""
"7243557","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","269247","2021-09-22","22:41:31",""
"7243558","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243559","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243560","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243561","11.1487","0.0004","11.1487","0.0004","20.6785","0.0015","90","","90","","120","","2225.9","0.2","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B12 H12 Na O27 Rb5 -","- B12 H12 Na O27 Rb4.9998 -","- B36 H36 Na3 O81 Rb14.9994 -","3","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0266","0.0254","","","0.0678","0.0683","","","","","","1.125","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243562","9.154","0.0005","6.6585","0.0004","18.6325","0.0011","90","","117.594","0.002","90","","1006.5","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H4 O22 Rb4 -","- B12 H4 O22 Rb4 -","- B24 H8 O44 Rb8 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0387","0.0292","","","0.0651","0.0682","","","","","","1.095","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243563","9.058","0.003","6.62","0.002","18.294","0.006","90","","117.603","0.007","90","","972.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B12 Ba H4 O22 Rb2 -","- B12 Ba H4 O22 Rb2 -","- B24 Ba2 H8 O44 Rb4 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0732","0.052","","","0.1353","0.1458","","","","","","1.05","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243564","8.5942","0.0009","7.6284","0.0008","13.1321","0.0014","90","","90","","90","","860.94","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B5 H O9 Rb2 -","- B5 H O9 Rb2 -","- B20 H4 O36 Rb8 -","4","1","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0267","0.0223","","","0.0439","0.0449","","","","","","0.927","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243565","12.3596","0.0011","12.3596","0.0011","12.3596","0.0011","90","","90","","90","","1888","0.3","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- B12 H3 Na2 O21 Rb -","- B12 Na2 O20.9996 Rb -","- B48 Na8 O83.9984 Rb4 -","4","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0431","0.0339","","","0.093","0.1006","","","","","","1.121","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243566","9.76","0.004","10.85","0.004","15.146","0.005","98.37","0.017","96.251","0.017","103.375","0.017","1526.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0839","0.0527","","","0.1425","0.161","","","","","","1.053","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243567","9.83","0.003","10.658","0.003","15.343","0.004","96.197","0.01","96.104","0.011","105.604","0.011","1523.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0949","0.0462","","","0.1306","0.1544","","","","","","1.065","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243568","10.3172","0.0019","12.742","0.002","13.082","0.002","67.795","0.009","71.424","0.008","72.877","0.009","1479.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0701","0.0459","","","0.1167","0.1341","","","","","","1.023","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243569","9.8151","0.0004","10.9036","0.0005","14.5415","0.0006","94.486","0.002","97.7538","0.0019","104.653","0.0019","1481.57","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0562","0.0429","","","0.1099","0.1195","","","","","","1.03","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243573","5.0851","0.0017","13.6181","0.0018","18.784","0.002","90","","90","","90","","1300.8","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0361","0.0338","","","0.0794","0.0814","","","","","","1.069","","","","has coordinates","269268","2021-09-23","22:49:14",""
"7243574","12.4314","0.0016","5.0981","0.0007","20.634","0.003","90","","106.37","0.004","90","","1254.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0343","0.0341","","","0.0913","0.0915","","","","","","1.034","","","","has coordinates","269268","2021-09-23","22:49:26",""
"7243575","11.9737","0.0006","11.9737","0.0006","17.3326","0.0013","90","","90","","90","","2485","0.3","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.42(4)Gd0.58Sb9.69(1)","","- Ca10.42 Gd0.58 Sb9.69 -","- Ca10.42 Gd0.58 Sb9.692 -","- Ca41.68 Gd2.32 Sb38.768 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0629","0.0329","","","0.057","0.0655","","","","","","1.08","","","","has coordinates","270439","2021-11-06","19:56:09",""
"7243576","11.9875","0.0017","11.9875","0.0017","17.36","0.003","90","","90","","90","","2494.6","0.7","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.63(2)Gd0.37Sb9.74(1)","","- Ca10.63 Gd0.37 Sb9.74 -","- Ca10.63 Gd0.37 Sb9.74 -","- Ca42.52 Gd1.48 Sb38.96 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.61","synchrotron","","0.0327","0.0315","","","0.0908","0.0916","","","","","","1.112","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243577","11.985","0.0006","11.985","0.0006","17.2845","0.0011","90","","90","","90","","2482.7","0.2","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.64(2)Gd0.36Sb9.63(1)","","- Ca10.64 Gd0.36 Sb9.63 -","- Ca10.644 Gd0.356 Sb9.634 -","- Ca42.576 Gd1.424 Sb38.536 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0355","0.0274","","","0.0558","0.0595","","","","","","1.058","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243578","21.8237","0.0009","6.3425","0.0002","23.2717","0.0009","90","","112.529","0.004","90","","2975.4","0.2","113.15","","113.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","x-ray","0.71073","MoKα","","0.0695","0.0565","","","0.1375","0.1512","","","","","","1.031","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243579","25.2663","0.0009","6.3994","0.0002","22.1324","0.0008","90","","120.785","0.001","90","","3074.33","0.19","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","1.34139","GaKα","","0.0396","0.0394","","","0.1137","0.114","","","","","","1.066","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243580","25.321","0.006","6.4135","0.0015","22.097","0.005","90","","121.404","0.003","90","","3062.8","1.2","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.25 N O7.12 S2 -","- C31 H37.25 N O7.125 S2 -","- C124 H149 N4 O28.5 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.0948","0.0525","","","0.1119","0.1288","","","","","","0.991","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243581","25.208","0.002","6.3747","0.0006","21.98","0.002","90","","121.001","0.001","90","","3027.5","0.5","393","1","393","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1712","0.0716","","","0.199","0.2627","","","","","","0.934","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243582","25.2658","0.0018","6.3976","0.0005","22.0858","0.0016","90","","121.138","0.001","90","","3055.6","0.4","353","1","353","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.5 N O7.25 S2 -","- C31 H37.5 N O7.25 S2 -","- C124 H150 N4 O29 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1013","0.0858","","","0.2633","0.2855","","","","","","1.058","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243583","17.714","0.01","17.989","0.01","15.344","0.011","90","","105.098","0.01","90","","4721","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co N4 O6 -","- C27 H20 Co N4 O6 -","- C216 H160 Co8 N32 O48 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0771","0.0444","","","0.1216","0.1445","","","","","","0.839","","","","has coordinates","270424","2021-11-06","19:50:51",""
"7243584","12.6009","0.0007","30.1566","0.0012","13.5693","0.0008","90","","107.237","0.006","90","","4924.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H21 Co N3 O5 -","- C28.5 H21 Co N3 O5 -","- C228 H168 Co8 N24 O40 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0824","0.0519","","","0.1159","0.1274","","","","","","1.037","","","","has coordinates","270424","2021-11-06","19:50:52",""
"7243585","19.937","0.005","19.937","0.005","6.4202","0.0016","90","","90","","90","","2551.9","1.1","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C128 H64 N32 Nd2 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0785","0.0647","","","0.3028","0.3147","","","","","","1.399","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243586","28.086","0.003","14.16","0.002","13.1416","0.0014","90","","115.708","0.01","90","","4709.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0617","0.0462","","","0.093","0.0996","","","","","","1.038","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243587","28.1354","0.0006","22.945","0.0006","7.8933","0.0002","90","","90","","90","","5095.7","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C65 H34 Cl2 N16 Sm -","- C65 H34 Cl2 N16 Sm -","- C260 H136 Cl8 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0446","0.031","","","0.081","0.0944","","","","","","0.876","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243588","19.9227","0.0006","19.9227","0.0006","6.3925","0.0004","90","","90","","90","","2537.27","0.19","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lathanum(III)","","- C64 H32 La N16 -","- C64 H32 La N16 -","- C128 H64 La2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0948","0.0803","","","0.2442","0.2526","","","","","","1.932","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243589","8.8412","0.0014","10.5892","0.0015","50.762","0.008","90","","90","","90","","4752.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0585","0.0539","","","0.1287","0.1305","","","","","","1.197","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243590","28.0851","0.0016","22.9636","0.0013","7.8897","0.0004","90","","90","","90","","5088.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C65 H34 Cl2 N16 Nd -","- C65 H34 Cl2 N16 Nd -","- C260 H136 Cl8 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0396","0.0266","","","0.0588","0.0646","","","","","","1.043","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243591","28.356","0.003","22.882","0.003","8.046","0.001","90","","90","","90","","5220.6","1.1","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C65 H34 Cl2 Gd N16 -","- C65 H34 Cl2 Gd N16 -","- C260 H136 Cl8 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0849","0.0445","","","0.0857","0.0987","","","","","","1.02","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243592","8.8171","0.0011","10.5671","0.0012","50.648","0.006","90","","90","","90","","4718.9","1","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0535","0.0457","","","0.0812","0.0833","","","","","","1.116","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243593","28.01","0.003","22.923","0.003","7.8994","0.001","90","","90","","90","","5072","1.1","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(II)","","- C65 H34 Cl2 Dy N16 -","- C65 H34 Cl2 Dy N16 -","- C260 H136 Cl8 Dy4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0729","0.0421","","","0.0801","0.089","","","","","","1.036","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243594","27.955","0.006","22.921","0.005","7.8802","0.0017","90","","90","","90","","5049.3","1.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyaninato-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C65 H34 Cl2 N16 Yb -","- C65 H34 Cl2 N16 Yb -","- C260 H136 Cl8 N64 Yb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0949","0.0498","","","0.1081","0.1282","","","","","","0.972","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243595","8.8136","0.0006","10.5756","0.0007","50.713","0.003","90","","90","","90","","4726.9","0.5","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato) Tb(III)","(phthalocyaninato)-(phthalocyaninato-radical) terbium (III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0567","0.0501","","","0.0815","0.0832","","","","","","1.184","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243596","8.7901","0.0006","10.5965","0.0012","50.568","0.004","90","","90","","90","","4710.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C64 H32 N16 Yb -","- C64 H32 N16 Yb -","- C256 H128 N64 Yb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.045","0.041","","","0.117","0.1199","","","","","","0.873","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243597","19.548","0.004","19.548","0.004","6.477","0.002","90","0.03","90","0.03","90","0.03","2475","1","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato) dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C128 H64 Dy2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0702","0.07","","","0.1907","0.1909","","","","","","1.509","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243598","28.0409","0.0009","22.944","0.0007","7.8783","0.0002","90","","90","","90","","5068.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lanthanum(III)","","- C65 H34 Cl2 La N16 -","- C65 H34 Cl2 La N16 -","- C260 H136 Cl8 La4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0382","0.0301","","","0.0763","0.0797","","","","","","1.073","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243599","28.103","0.003","14.1751","0.0013","13.1851","0.0012","90","","115.596","0.002","90","","4737","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(bis)phthalocyanine neodymium","(phthalocyaninato)-phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","","0.71073","MoKα","","0.0522","0.0355","","","0.0671","0.0725","","","","","","1.014","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243600","28.1112","0.0014","14.2031","0.0012","13.1654","0.0005","90","","115.574","0.002","90","","4741.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0181","0.0173","","","0.0471","0.0476","","","","","","1.098","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243601","28.016","0.003","22.942","0.003","7.8678","0.0007","90","","90","","90","","5057","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-erbium","(phthalocyaninato)-(phthalocyaninato-radical)-erbium(III)","","- C65 H34 Cl2 Er N16 -","- C65 H34 Cl2 Er N16 -","- C260 H136 Cl8 Er4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0657","0.046","","","0.0856","0.0928","","","","","","1.028","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243602","28.106","0.003","14.1593","0.001","13.1975","0.0008","90","","115.551","0.004","90","","4738.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-Pr","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C64 H32 N16 Pr -","- C64 H32 N16 Pr -","- C256 H128 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0323","0.0268","","","0.0684","0.0721","","","","","","0.829","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243603","8.8201","0.0002","10.6092","0.0003","50.7567","0.0011","90","","90","","90","","4749.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium (III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0467","0.038","","","0.0599","0.0619","","","","","","1.087","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243604","28.125","0.003","14.1663","0.0014","13.1416","0.0014","90","","115.688","0.004","90","","4718.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0622","0.0512","","","0.0955","0.0984","","","","","","1.2","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243605","28.0516","0.0007","22.9642","0.0008","7.8827","0.0002","90","","90","","90","","5077.9","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C65 H34 Cl2 N16 Tb -","- C65 H34 Cl2 N16 Tb -","- C260 H136 Cl8 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.029","0.0239","","","0.0596","0.062","","","","","","1.046","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243606","8.852","0.002","10.604","0.002","50.844","0.012","90","","90","","90","","4772.6","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis)phthalocyanine neodymium","[phthalocyaninato]-[phthalocyaninato-radical]neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0345","0.0307","","","0.072","0.0739","","","","","","0.859","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243607","28.1128","0.0016","22.9663","0.0014","7.8883","0.0005","90","","90","","90","","5093.1","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-praseodymium","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C65 H34 Cl2 N16 Pr -","- C65 H34 Cl2 N16 Pr -","- C260 H136 Cl8 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0708","0.0752","","","","","","1.067","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243608","3.8492","0.0008","25.618","0.005","15.127","0.003","90","","96.92","0.03","90","","1480.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl2 N3 O4 -","- C13 H11 Cl2 N3 O4 -","- C52 H44 Cl8 N12 O16 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.1424","0.0759","","","0.1509","0.1808","","","","","","0.951","","","","has coordinates","271163","2021-12-07","02:56:51",""
"7243609","11.1527","0.0007","5.1499","0.0003","24.1986","0.0012","90","","94.245","0.005","90","","1386.04","0.14","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.1008","0.0616","","","0.1277","0.1488","","","","","","1.039","","","","has coordinates","271163","2021-12-07","02:58:42",""
"7243610","4.9189","0.0002","12.7069","0.0004","19.7761","0.0007","90","","90.777","0.003","90","","1235.97","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 N2 O3 -","- C11 H10 Cl2 N2 O3 -","- C44 H40 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.0624","0.0444","","","0.0924","0.1015","","","","","","1.051","","","","has coordinates","271163","2021-12-07","02:59:09",""
"7243611","10.5164","0.0003","5.3915","0.0002","24.4188","0.0008","90","","90.966","0.003","90","","1384.33","0.08","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.0619","0.0467","","","0.1066","0.1172","","","","","","1.036","","","","has coordinates","271163","2021-12-07","02:59:42",""
"7243612","3.9581","0.0002","10.518","0.0006","17.6996","0.001","79.048","0.005","84.886","0.004","85.843","0.004","719.39","0.07","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O4 -","- C14 H12 Cl2 N2 O4 -","- C28 H24 Cl4 N4 O8 -","2","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.052","0.0412","","","0.0987","0.1073","","","","","","1.047","","","","has coordinates","271163","2021-12-07","03:00:18",""
"7243615","18.3597","0.0008","30.8839","0.0013","11.3262","0.0004","90","","90","","90","","6422.2","0.5","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn-MOF","","- C16 H21 N2 O6 Zn -","- C16 H21 N2 O6 Zn -","- C128 H168 N16 O48 Zn8 -","8","1","","Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui","Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection","CrystEngComm","2021","23","42","7442","7449","10.1039/D1CE00931A","","x-ray","1.54184","CuKα","","0.0772","0.07","","","0.1844","0.1901","","","","","","1.079","","","","has coordinates","270418","2021-11-06","19:49:37",""
"7243616","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243617","7.8667","0.0004","16.1141","0.0006","21.1102","0.0014","90","","90.836","0.005","90","","2675.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ga N O11 P -","- C8 H9 Ga N O11 P -","- C64 H72 Ga8 N8 O88 P8 -","8","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","0.71073","MoKα","","0.0484","0.0393","","","0.0916","0.0965","","","","","","1.07","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243622","39.9546","0.0006","39.9546","0.0006","39.9546","0.0006","90","","90","","90","","63782.3","1.7","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C172 H352 N24 O117 Pt4 S4 -","- C104 H80 N24 O29.3333 Pt4 S3.33333 -","- C1248 H960 N288 O352 Pt48 S40 -","12","0.25","","Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi","A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite","CrystEngComm","2021","23","43","7691","7697","10.1039/D1CE00994J","","","0.71075","MoKα","","0.2014","0.0664","","","0.1466","0.2012","","","","","","0.983","","","","has coordinates","271166","2021-12-07","03:04:43",""
"7243623","27.0123","0.0016","21.1322","0.0011","11.5913","0.0006","90","","90","","90","","6616.7","0.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H30 Eu N2 O19.5 -","- C28 H15 Eu N2 O12 -","- C224 H120 Eu8 N16 O96 -","8","1","","Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei","The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution","CrystEngComm","2021","23","43","7581","7589","10.1039/D1CE01192H","","","0.71073","MoKα","","0.0401","0.0266","","","0.0571","0.0628","","","","","","1.041","","","","has coordinates","271164","2021-12-07","03:02:46",""
"7243628","11.287","0.002","11.583","0.002","15.893","0.003","74.88","0.03","86.45","0.03","66.47","0.03","1837","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N O10.5 -","- C18 H22 N O10.5 -","- C72 H88 N4 O42 -","4","2","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.1186","0.0618","","","0.142","0.1723","","","","","","0.951","","","","has coordinates","269375","2021-09-29","22:45:04",""
"7243629","9.4396","0.0019","11.62","0.002","13.907","0.003","90","","91.59","0.03","90","","1524.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O9 -","- C16 H16 O9 -","- C64 H64 O36 -","4","1","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.0621","0.0544","","","0.1419","0.1469","","","","","","1.036","","","","has coordinates","269375","2021-09-29","22:45:05",""
"7243630","8.4936","0.0017","16.17","0.003","11.847","0.002","90","","109.38","0.03","90","","1534.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O10 S -","- C16 H16 O10 S -","- C64 H64 O40 S4 -","4","1","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.0931","0.067","","","0.159","0.1783","","","","","","1.005","","","","has coordinates","269375","2021-09-29","22:45:05",""
"7243631","10.6218","0.0008","11.3383","0.0008","12.3181","0.0009","68.588","0.002","88.724","0.002","85.755","0.002","1377.31","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0522","0.0517","","","0.2067","0.2071","","","","","","1.075","","","","has coordinates,has disorder","270444","2021-11-06","19:57:36",""
"7243632","7.803","0.002","11.554","0.003","15.741","0.004","72.604","0.005","89.478","0.005","83.484","0.005","1345","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0402","0.0334","","","0.1002","0.1356","","","","","","1.049","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243633","11.3807","0.0008","11.6442","0.0008","13.1925","0.0009","83.978","0.003","66.041","0.003","86.807","0.003","1588.64","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0458","0.0378","","","0.0939","0.0976","","","","","","1.036","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243634","6.588","0.0003","14.1875","0.0007","15.2526","0.0007","64.022","0.002","82.732","0.002","85.997","0.002","1271.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0431","0.041","","","0.1215","0.1233","","","","","","1.068","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243635","6.5928","0.0011","14.239","0.002","15.231","0.003","63.995","0.005","82.597","0.005","85.988","0.005","1274.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0538","0.0508","","","0.1525","0.1582","","","","","","1.082","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243636","32.1757","0.0018","32.1757","0.0018","13.5257","0.0011","90","","90","","120","","12126.8","1.4","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","1","0.0833333","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","","1.54184","CuKα","","0.2253","0.1534","","","0.323","0.3443","","","","","","1.032","","","","has coordinates,has disorder","270442","2021-11-06","19:56:52",""
"7243637","21.5046","0.0017","16.0447","0.0006","23.0476","0.0014","90","","115.557","0.009","90","","7174.2","0.9","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H110 Cu8 I8 N10 O16 S8 -","- C124 H110 Cu8 I8 N10 O16 S8 -","- C248 H220 Cu16 I16 N20 O32 S16 -","2","0.5","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","x-ray","0.71073","MoKα","","0.1169","0.0605","","","0.0987","0.1265","","","","","","0.9434","","","","has coordinates","270442","2021-11-06","19:56:53",""
"7243638","18.1803","0.0007","9.4604","0.0003","9.0591","0.0003","90","","99.762","0.004","90","","1535.54","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu Fe N2 S2 -","- C15 H15 Cu Fe N2 S2 -","- C60 H60 Cu4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0522","0.0376","","","0.0718","0.0775","","","","","","1.046","","","","has coordinates","271158","2021-12-07","02:53:16",""
"7243639","18.0463","0.0004","9.80453","0.00019","9.3793","0.0002","90","","100.689","0.002","90","","1630.74","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag Fe N2 S2 -","- C15 H15 Ag Fe N2 S2 -","- C60 H60 Ag4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0341","0.0287","","","0.0568","0.0586","","","","","","1.147","","","","has coordinates","271158","2021-12-07","02:53:19",""
"7243640","5.9876","0.0003","17.204","0.0008","17.2608","0.0008","89.062","0.008","84.677","0.008","87.989","0.007","1769.13","0.15","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C58 H62 Cl6 Cu4 Fe4 I4 N4 S8 -","2","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0636","0.0486","","","0.0966","0.1018","","","","","","1.122","","","","has coordinates","271158","2021-12-07","02:53:29",""
"7243652","4.57964","0.00007","5.58662","0.00008","4.9692","0.00007","90","","90","","90","","127.136","0.003","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe2.667 O8 W1.333 -","- Fe2.6668 O8 W1.3332 -","- Fe2.6668 O8 W1.3332 -","1","0.125","","Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry","Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations","CrystEngComm","2021","23","41","7298","7304","10.1039/D1CE00916H","powder diffraction","x-ray","1.54186","","","0.0417","0.0381","","0.0449","0.0442","","","","1.33","","","","","","","has coordinates","270416","2021-11-06","19:48:23",""
"7243653","9.8424","0.0018","9.9803","0.0019","10.836","0.002","95.012","0.008","109.791","0.008","107.971","0.008","930.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O9 -","- C18 H19 Co N2 O9 -","- C36 H38 Co2 N4 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0776","0.0812","","","","","","1.052","","","","has coordinates","270420","2021-11-06","19:50:13",""
"7243654","10.4474","0.0009","12.2491","0.001","13.1227","0.0011","77.35","0.005","76.486","0.005","74.932","0.005","1554.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co N4 O8 -","- C30 H38 Co N4 O8 -","- C60 H76 Co2 N8 O16 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0865","0.0477","","","0.1103","0.1235","","","","","","1.03","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243655","10.4957","0.0003","10.1234","0.0003","16.807","0.0005","90","","106.706","0.002","90","","1710.41","0.09","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Co N3 O6 -","- C17 H18 Co N3 O6 -","- C68 H72 Co4 N12 O24 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0773","0.0479","","","0.1293","0.147","","","","","","1.039","","","","has coordinates","270420","2021-11-06","19:50:14",""
"7243656","9.1047","0.0007","11.1545","0.0008","22.7393","0.0017","99.678","0.004","93.31","0.004","106.073","0.004","2174.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co1.5 N6 O17 -","- C36 H50 Co1.5 N6 O17 -","- C72 H100 Co3 N12 O34 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0622","0.0492","","","0.1493","0.1582","","","","","","1.055","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243657","22.271","0.002","22.271","0.002","12.529","0.0016","90","","90","","90","","6214.4","1.1","295","2","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Ni4AQ","","- C124 H108 N4 Ni O8 -","- C124 H108 N4 Ni O8 -","- C248 H216 N8 Ni2 O16 -","2","0.25","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","","1.54178","CuKα","","0.1197","0.0972","","","0.2893","0.3111","","","","","","1.189","","","","has coordinates,has disorder","271162","2021-12-07","02:55:25",""
"7243658","20.4751","0.0003","20.4751","0.0003","13.4593","0.001","90","","90","","90","","5642.5","0.4","100","0.1","100","0.1","","","","","","","","5","P -4","P -4","81","","Ni4TQ","","- C140.3 H117.1 N4 Ni O8 -","- C140.304 H117.112 N4 Ni O8 -","- C280.608 H234.224 N8 Ni2 O16 -","2","0.5","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","x-ray","1.54184","CuKα","","0.0909","0.0708","","","0.1993","0.2207","","","","","","1.059","","","","has coordinates,has disorder","271162","2021-12-07","02:55:37",""
"7243659","7.3361","0.0004","11.8575","0.0007","12.8075","0.0008","70.641","0.002","78.588","0.002","76.401","0.002","1012.86","0.1","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N7 O2 S -","- C21 H23 N7 O2 S -","- C42 H46 N14 O4 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1237","0.0756","","","0.1675","0.1936","","","","","","1.037","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243660","16.2967","0.0012","8.5063","0.0005","21.3502","0.0014","90","","108.21","0.002","90","","2811.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N7 O6 S -","- C28 H31 N7 O6 S -","- C112 H124 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1427","0.0729","","","0.1651","0.2041","","","","","","1.049","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243661","8.6083","0.0006","21.2446","0.0019","33.276","0.003","90","","90","","90","","6085.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N7 O7 S -","- C30 H35 N7 O7 S -","- C240 H280 N56 O56 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0766","0.0557","","","0.1408","0.1553","","","","","","1.033","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243662","36.464","0.006","8.7361","0.0017","24.937","0.005","90","","132.658","0.006","90","","5842","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 N7 O6 S -","- C29 H33 N7 O6 S -","- C232 H264 N56 O48 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.068","0.0658","","","0.1852","0.187","","","","","","1.086","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243663","16.4349","0.0008","8.4148","0.0005","22.4426","0.0012","90","","103.464","0.002","90","","3018.4","0.3","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N7 O8 S -","- C29 H35 N7 O8 S -","- C116 H140 N28 O32 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0562","0.047","","","0.1188","0.1266","","","","","","1.048","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243664","16.0673","0.0017","8.5659","0.0009","23.125","0.002","90","","106.194","0.003","90","","3056.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N8 O6 S -","- C32 H34 N8 O6 S -","- C128 H136 N32 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0735","0.0612","","","0.1296","0.1355","","","","","","1.127","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243665","8.687","0.0014","10.446","0.002","16.411","0.003","77.708","0.009","77.031","0.008","74.897","0.009","1382.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C56 H58 N14 O12 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0946","0.1011","","","","","","1.071","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243666","7.499","0.002","14.142","0.004","15.071","0.003","77.4","0.011","77.647","0.013","86.005","0.014","1523.2","0.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N7 O10 S -","- C28 H37 N7 O10 S -","- C56 H74 N14 O20 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0615","0.0588","","","0.1661","0.1713","","","","","","1.164","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243667","8.5756","0.0003","22.7659","0.0008","14.185","0.0005","90","","90.794","0.001","90","","2769.09","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C112 H116 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0523","0.0483","","","0.1214","0.1244","","","","","","1.069","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243668","11.358","0.004","14.023","0.006","16.34","0.006","105.473","0.011","91.683","0.011","97.049","0.016","2484","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N7 O3 S -","- C25 H31 N7 O3 S -","- C100 H124 N28 O12 S4 -","4","2","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.048","0.0427","","","0.1104","0.1153","","","","","","1.131","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243669","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243670","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243671","13.247","0.006","7.6192","0.0016","15.469","0.01","90","","92.42","0.06","90","","1559.9","1.3","394","2","394","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl N6 O5 S -","- C30 H31 Cl N6 O5 S -","- C60 H62 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.4052","0.0956","","","0.1217","0.2293","","","","","","0.961","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243672","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243673","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243674","15.4711","0.0018","7.0655","0.0006","13.0349","0.0012","90","","104.993","0.011","90","","1376.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H29 Cl N6 O5 S -","- C29 H29 Cl N6 O5 S -","- C58 H58 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.1","0.0689","","","0.1092","0.1229","","","","","","1.017","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243675","14.5891","0.0008","7.5159","0.0003","15.6522","0.0009","90","","113.725","0.007","90","","1571.22","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H35 Cl N6 O6 S -","- C31 H35 Cl N6 O6 S -","- C62 H70 Cl2 N12 O12 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.0616","0.0509","","","0.0961","0.1059","","","","","","1.045","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243676","8.175","0.0004","11.225","0.0005","12.1741","0.0005","76.648","0.002","86.085","0.002","70.908","0.002","1027.13","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 N3 O10 U2 -","- C17 H13 N3 O10 U2 -","- C34 H26 N6 O20 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0389","0.0252","","","0.0557","0.063","","","","","","1.157","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243677","10.4295","0.0005","10.5028","0.0006","11.5621","0.0006","63.375","0.002","74.261","0.002","80.69","0.002","1088.56","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 N3 O11 Pb U -","- C18 H16 N3 O11 Pb U -","- C36 H32 N6 O22 Pb2 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0209","0.0203","","","0.0466","0.0468","","","","","","1.192","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243678","8.7682","0.0002","16.9333","0.0005","28.1757","0.0007","90","","98.6612","0.0013","90","","4135.67","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N7 Ni O12.5 U -","- C32 H25 N7 Ni O12.5 U -","- C128 H100 N28 Ni4 O50 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.038","0.0337","","","0.0747","0.0763","","","","","","1.093","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243679","18.5799","0.0005","18.5799","0.0005","42.3462","0.0013","90","","90","","90","","14618.4","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H60 N14 Ni2 O29 U2 -","- C64 H42 N14 Ni2 O29 U2 -","- C512 H336 N112 Ni16 O232 U16 -","8","2","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0383","0.036","","","0.08","0.081","","","","","","1.159","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243681","9.2609","0.0019","24.972","0.005","9.6398","0.0019","90","","109.03","0.03","90","","2107.5","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N5 O2 S -","- C21 H25 N5 O2 S -","- C84 H100 N20 O8 S4 -","4","1","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","270448","2021-11-06","19:59:25",""
"7243682","5.7687","0.0012","7.8235","0.0016","35.517","0.007","90","","91.67","0.03","90","","1602.3","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DAP-PYR (2:1)","","- C33 H37 N7 O4 S2 -","- C33 H37 N7 O4 S2 -","- C66 H74 N14 O8 S4 -","2","0.5","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","0.71073","MoKα","","0.0645","0.0481","","","0.1123","0.1227","","","","","","1.079","","","","has coordinates,has disorder","270448","2021-11-06","19:59:26",""
"7243683","7.8228","0.0003","13.8222","0.0006","16.4334","0.0008","90","","90","","90","","1776.92","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0296","0.0226","","","0.0467","0.0487","","","","","","1.042","","","","has coordinates","271159","2021-12-07","02:53:53",""
"7243684","7.8558","0.0003","13.8616","0.0005","16.5205","0.0007","90","","90","","90","","1798.98","0.12","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0403","0.0262","","","0.0507","0.0546","","","","","","0.992","","","","has coordinates","271159","2021-12-07","02:53:56",""
"7243685","7.9139","0.0003","13.9195","0.0006","16.6734","0.0008","90","","90","","90","","1836.7","0.14","315","2","315","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0536","0.0282","","","0.0444","0.0494","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:58",""
"7243686","7.9357","0.0003","13.9514","0.0006","16.7733","0.0008","90","","90","","90","","1857.04","0.14","350","2","350","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0676","0.034","","","0.0543","0.0619","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:59",""
"7243687","7.9192","0.0003","13.9256","0.0006","16.7036","0.0008","90","","90","","90","","1842.07","0.14","330","2","330","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0589","0.0314","","","0.0518","0.0577","","","","","","1.038","","","","has coordinates","271159","2021-12-07","02:54:01",""
"7243688","7.9171","0.0003","13.9272","0.0005","16.6694","0.0007","90","","90","","90","","1838.02","0.12","305","2","305","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0575","0.031","","","0.0491","0.0549","","","","","","1.022","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243689","7.8962","0.0003","13.9023","0.0005","16.6281","0.0008","90","","90","","90","","1825.36","0.13","290","2","290","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0483","0.0268","","","0.0453","0.0502","","","","","","1.026","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243690","7.8377","0.0003","13.8396","0.0006","16.4718","0.0008","90","","90","","90","","1786.71","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0363","0.0258","","","0.0492","0.0521","","","","","","1.036","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243691","7.8755","0.0003","13.8822","0.0005","16.5729","0.0007","90","","90","","90","","1811.9","0.12","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0474","0.0272","","","0.0496","0.0543","","","","","","1.031","","","","has coordinates","271159","2021-12-07","02:54:08",""
"7243692","13.6568","0.001","4.4427","0.0003","18.6786","0.0014","90","","101.195","0.001","90","","1111.72","0.14","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H19 N2 O8 Pb2 -","- C19 H19 N2 O8 Pb2 -","- C38 H38 N4 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.0582","0.0534","","","0.1291","0.1327","","","","","","1.128","","","","has coordinates,has disorder","271169","2021-12-07","03:05:41",""
"7243693","18.508","0.002","4.0982","0.0005","18.984","0.002","90","","96.68","0.002","90","","1430.2","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 N4 O8 Pb2 -","- C28 H24 N4 O8 Pb2 -","- C56 H48 N8 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.062","0.0489","","","0.1202","0.1274","","","","","","1.057","","","","has coordinates,has disorder","271169","2021-12-07","03:05:44",""
"7243694","21.4117","0.0012","11.5851","0.0006","25.3771","0.0014","90","","103.588","0.001","90","","6118.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67 Cu2 N11 O21 -","- C57 H67 Cu2 N11 O21 -","- C228 H268 Cu8 N44 O84 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","0.71073","MoKα","","0.0563","0.0379","","","0.092","0.1023","","","","","","1.03","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243695","19.6662","0.0002","20.9151","0.0001","18.3648","0.0002","90","","117.44","0.002","90","","6703.97","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H40 Cu2 N8 O16 Pd2 -","- C50 H40 Cu2 N8 O16 Pd2 -","- C200 H160 Cu8 N32 O64 Pd8 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","1.54184","CuKα","","0.0478","0.0468","","","0.1209","0.1216","","","","","","1.029","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243703","14.3455","0.0005","27.8054","0.0011","27.708","0.0011","90","","90.205","0.002","90","","11052.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N3 O8 S4 Zn2 -","- C23 H16 N3 O8 S4 Zn2 -","- C184 H128 N24 O64 S32 Zn16 -","8","1","","Liang, Yu-Jie; Yao, Jun; Deng, Min; Liu, Yan-E.; Xu, Quan-Qing; Li, Qiu-Xia; Jing, Bi; Zhu, Ai-Xin; Huang, Bo","A porous anionic zinc(ii) metal–organic framework for gas adsorption, selective uptake of dyes and sensing of Fe3+ by Tb3+ ion encapsulation","CrystEngComm","2021","23","41","7348","7357","10.1039/D1CE01074C","","","1.54178","CuKα","","0.1197","0.1137","","","0.2747","0.2794","","","","","","1.059","","","","has coordinates","270410","2021-11-06","19:46:40",""
"7243705","16.1541","0.0002","18.0486","0.0002","23.7037","0.0003","90","","91.155","0.001","90","","6909.62","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H108 Ce N9 O12 S2 -","- C50 H107 Ce N9 O12 S2 -","- C200 H428 Ce4 N36 O48 S8 -","4","1","","Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen","Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium)","CrystEngComm","2021","23","46","8104","8109","10.1039/D1CE01153G","","","0.71073","MoKα","","0.039","0.0363","","","0.0981","0.0994","","","","","","1.052","","","","has coordinates,has disorder","271172","2021-12-07","03:07:31",""
"7243706","8.9895","0.0003","11.5404","0.0003","33.0283","0.0007","95.255","0.002","96.857","0.002","102.441","0.002","3297.64","0.16","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H96 Cd5 N6 O30 -","- C112 H80 Cd5 N4 O30 -","- C112 H80 Cd5 N4 O30 -","1","0.5","","Qiao, Yang; Li, Zeqi; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","A metal–organic framework featuring highly sensitive fluorescence sensing for Al3+ ions","CrystEngComm","2021","23","46","8087","8092","10.1039/D1CE01115D","","","1.54184","CuKα","","0.0721","0.0668","","","0.1712","0.1748","","","","","","1.049","","","","has coordinates,has disorder","271175","2021-12-07","03:08:10",""
"7243707","12.004","0.002","13.159","0.002","14.922","0.002","86.296","0.004","87.495","0.006","71.75","0.004","2233.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","heterobimetallc ruthenium gallate complex","","- C51 H51 Cl2 Ga P2 Ru -","- C51 H51 Cl2 Ga P2 Ru -","- C102 H102 Cl4 Ga2 P4 Ru2 -","2","1","","García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia","SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex","CrystEngComm","2021","23","42","7479","7484","10.1039/D1CE01076J","","","0.71073","MoKα","","0.0308","0.0254","","","0.0553","0.0579","","","","","","1.063","","","","has coordinates","270426","2021-11-06","19:51:09",""
"7243708","11.035","0.002","11.907","0.002","13.273","0.003","81.38","0.002","70.064","0.002","71.719","0.002","1554.9","0.5","101","2","101","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMA solvate","","","- C39 H33 N3 O7 -","- C39 H33 N3 O7 -","- C78 H66 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0725","0.0496","","","0.1189","0.1322","","","","","","1.033","","","","has coordinates","270422","2021-11-06","19:50:32",""
"7243709","10.653","0.003","11.153","0.003","13.566","0.004","85.062","0.004","74.512","0.003","72.396","0.003","1480.5","0.7","108","2","108","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate THF solvate","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C78 H64 N4 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0966","0.0681","","","0.1946","0.2175","","","","","","1.071","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243710","10.6989","0.0018","11.63","0.002","13.421","0.002","82.162","0.005","72.106","0.005","72.058","0.005","1510.3","0.4","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMF solvate","","","- C38 H31 N3 O7 -","- C38 H31 N3 O7 -","- C76 H62 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0661","0.0503","","","0.1335","0.148","","","","","","1.02","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243711","10.554","0.0002","11.3682","0.0002","13.7388","0.0002","84.165","0.001","74.55","0.001","72.852","0.001","1517.71","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMSO solvate","","","- C37 H30 N2 O7 S -","- C37 H30 N2 O7 S -","- C74 H60 N4 O14 S2 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0692","0.0459","","","0.1125","0.1295","","","","","","1.013","","","","has coordinates,has disorder","270422","2021-11-06","19:50:33",""
"7243712","18.7914","0.0004","9.2921","0.0004","19.0621","0.0004","90","","99.32","","90","","3284.52","0.17","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Clopamide anhydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide","","- C14 H20 Cl N3 O3 S -","- C14 H20 Cl N3 O3 S -","- C112 H160 Cl8 N24 O24 S8 -","8","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54178","CuKα","","0.1199","0.0998","","","0.2258","0.2344","","","","","","1.229","","","","has coordinates","270419","2021-11-06","19:49:58",""
"7243713","7.8247","0.0014","13.829","0.002","15.156","0.003","78.981","0.004","81.309","0.004","85.041","0.004","1588.5","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C56 H76 Cl4 Cu2 N12 O12 S4 -","2","1","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.2417","0.1496","","","0.3058","0.3567","","","","","","1.11","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243714","13.46","0.001","15.2424","0.0011","18.1855","0.0016","114.627","0.006","93.362","0.008","90.021","0.006","3384.5","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C112 H152 Cl8 Cu4 N24 O24 S8 -","4","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1375","0.0777","","","0.12","0.1368","","","","","","1.054","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243715","23.078","0.003","23.078","0.003","18.3291","0.0012","90","","90","","120","","8454.1","1.6","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C252 H342 Cl18 Cu9 N54 O54 S18 -","9","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.2142","0.1033","","","0.1672","0.2052","","","","","","1.094","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243716","26.699","0.002","9.8941","0.0008","15.6876","0.0014","90","","104.75","0.007","90","","4007.5","0.6","128","2","128","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","clopamide copper(II) dichloromethane","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dichloromethane solvate","","- C30 H42 Cl6 Cu N6 O6 S2 -","- C30 H42 Cl6 Cu N6 O6 S2 -","- C120 H168 Cl24 Cu4 N24 O24 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.1623","0.1231","","","0.2351","0.2539","","","","","","1.151","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243717","8.497","0.005","8.404","0.004","16.31","0.008","83.113","0.012","79.445","0.01","67.366","0.01","1055.2","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1149","0.0856","","","0.2121","0.2365","","","","","","1.059","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243718","8.3107","0.0014","8.7469","0.0014","16.387","0.003","79.713","0.005","87.099","0.004","65.629","0.004","1067.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diisoprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diisoprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0816","0.069","","","0.1506","0.1574","","","","","","1.087","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243719","7.7518","0.0003","8.0901","0.0004","16.3683","0.0007","83.113","0.001","78.821","0.001","71.659","0.001","953.96","0.07","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) dimethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dimethanol solvate dihydrate","","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0684","0.0472","","","0.102","0.1282","","","","","","1.101","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243720","8.2195","0.0007","8.2439","0.0007","16.4822","0.0014","85.598","0.002","78.212","0.002","68.273","0.002","1015.62","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diethanol solvate dihydrate","","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1175","0.0969","","","0.2379","0.2553","","","","","","1.095","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243721","14.5166","0.0008","9.3747","0.0007","24.7064","0.0017","90","","100.965","0.002","90","","3300.9","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Clopamide hemihydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide hemihydrate","","- C28 H40 Cl2 N6 O7 S2 -","- C28 H40 Cl2 N6 O7 S2 -","- C112 H160 Cl8 N24 O28 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0508","0.0438","","","0.1063","0.1109","","","","","","1.049","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243722","17.5326","0.0011","18.5686","0.0011","19.6507","0.0011","65.24","0.002","66.895","0.002","69.537","0.002","5210.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TeO6)Ag36(CCtBu)18(tfa)8(F5PhCO2)4","","","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","1","0.5","","Hou, Lin-Lin; Li, Hong-Jing; Yu, Dong-Nan; Cheng, Xun; Yao, Zi-Xuan; Liu, Kuan-Guan; Yan, Xiao-Wei","Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster","CrystEngComm","2021","23","41","7202","7205","10.1039/D1CE01061A","","","0.71073","MoKα","","0.0578","0.0483","","","0.1227","0.1281","","","","","","1.042","","","","has coordinates,has disorder","270415","2021-11-06","19:48:14",""
"7243723","3.8349","0.0004","8.8365","0.0007","13.2606","0.0009","88.717","0.005","89.773","0.006","78.865","0.006","440.79","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","1","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54184","CuKα","","0.035","0.0331","","","0.0975","0.1011","","","","","","1.021","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243724","3.8029","0.0003","13.8237","0.001","14.1694","0.001","90","","94.395","0.005","90","","742.7","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2H,2'H-[1,1'-biacenaphthylenylidene]-2,2'-dione","","- C24 H12 O2 -","- C24 H12 O2 -","- C48 H24 O4 -","2","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.075","0.0519","","","0.119","0.1407","","","","","","1.045","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243725","31.7745","0.0016","3.8742","0.0002","15.4074","0.001","90","","90","","90","","1896.66","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H8 Br4 O2 -","- C24 H8 Br4 O2 -","- C96 H32 Br16 O8 -","4","1","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.0805","0.0582","","","0.1448","0.1648","","","","","","1.07","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243729","28.727","0.002","28.727","0.002","14.5895","0.0019","90","","90","","90","","12040","2","293","","293","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C23 H14 Cu2 O12 -","- C23 H14 Cu2 O12 -","- C184 H112 Cu16 O96 -","8","0.25","","Yan, Yang-Tian; Wang, Chen-Yang; Zheng, Li-Na; Wu, Yun-long; Liu, Jiao; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","A new multi-functional Cu(ii)-organic framework as a platform for selective carbon dioxide chemical fixation and separation of organic dyes","CrystEngComm","2021","23","47","8315","8322","10.1039/D1CE01274F","","","0.71073","MoKα","","0.1108","0.0737","","","0.228","0.2673","","","","","","1.099","","","","has coordinates,has disorder","271829","2022-01-06","21:12:55",""
"7243730","9.965","0.005","10.598","0.005","12.54","0.006","94.375","0.008","108.088","0.007","94.539","0.008","1247.8","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0901","0.0617","","","0.1479","0.1652","","","","","","0.969","","","","has coordinates,has disorder","271170","2021-12-07","03:06:22",""
"7243731","10.256","0.002","12.989","0.003","14.013","0.003","63.783","0.004","81.4","0.003","82.923","0.004","1652.4","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd N5 O8 -","- C33 H23 Cd N5 O8 -","- C66 H46 Cd2 N10 O16 -","2","1","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0854","0.0507","","","0.1091","0.1444","","","","","","0.986","","","","has coordinates","271170","2021-12-07","03:06:25",""
"7243732","10.0981","0.0007","11.7986","0.0007","12.4956","0.0006","86.098","0.004","76.446","0.005","72.064","0.005","1376.95","0.15","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","x-ray","1.54184","CuKα","","0.0537","0.0448","","","0.1211","0.1289","","","","","","1.042","","","","has coordinates","271170","2021-12-07","03:06:35",""
"7243733","10.081","0.004","10.549","0.004","12.362","0.006","91.1","0.006","107.393","0.008","99.635","0.006","1233.5","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.1163","0.0841","","","0.1905","0.2097","","","","","","1.101","","","","has coordinates","271170","2021-12-07","03:06:37",""
"7243734","7.0314","0.0003","10.5042","0.0004","10.5476","0.0004","61.155","0.001","87.596","0.002","71.433","0.001","640.99","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0178","0.0161","","","0.0375","0.0381","","","","","","1.062","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243735","7.1834","0.0008","7.7618","0.0008","10.873","0.0012","89.66","0.004","76.812","0.004","71.301","0.003","557.61","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0172","0.0144","","","0.028","0.0289","","","","","","1.099","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243736","20.419","0.001","10.2159","0.0006","12.8155","0.0007","90","","99.731","0.002","90","","2634.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N12 O Pb2 S4 -","- C18 H22 N12 O Pb2 S4 -","- C72 H88 N48 O4 Pb8 S16 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0248","0.0186","","","0.034","0.0353","","","","","","1.057","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243737","20.5481","0.0007","10.7642","0.0003","12.7256","0.0004","90","","97.74","0.001","90","","2789.05","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N12 O8 Pb2 S2 -","- C17 H26 N12 O8 Pb2 S2 -","- C68 H104 N48 O32 Pb8 S8 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0212","0.0173","","","0.0366","0.0376","","","","","","1.064","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243741","9.702","0.005","10.763","0.005","11.435","0.005","75.894","0.006","84.943","0.007","69.928","0.008","1087.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","JLNU-91","","- C42 H43 Ag3 N6 O8 -","- C40 H31 Ag3 N6 O4 -","- C40 H31 Ag3 N6 O4 -","1","1","","Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo","Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance","CrystEngComm","2021","23","42","7496","7501","10.1039/D1CE01133B","","","0.71073","MoKα","","0.0457","0.0421","","","0.1194","0.1225","","","","","","1.067","","","","has coordinates","270421","2021-11-06","19:50:19",""
"7243745","9.5767","0.0013","11.1881","0.0015","12.2524","0.0017","83.416","0.003","68.138","0.002","73.915","0.002","1170.6","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","Compound 3","","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0461","0.0363","","","0.0978","0.1035","","","","","","1.086","","","","has coordinates,has disorder","271153","2021-12-07","02:50:59",""
"7243746","9.589","0.004","11.22","0.004","12.27","0.005","83.409","0.008","68.107","0.007","73.943","0.007","1177","0.8","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Fe Mo4 N4 O17 -","- C13 H13 Fe Mo4 N4 O17 -","- C26 H26 Fe2 Mo8 N8 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.1061","0.0734","","","0.189","0.2142","","","","","","1.007","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243747","9.593","0.002","11.205","0.002","12.283","0.003","83.427","0.004","68.122","0.004","73.812","0.004","1176.5","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0621","0.0429","","","0.1008","0.1107","","","","","","0.997","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243748","9.6183","0.0003","11.1742","0.0004","12.2597","0.0004","83.415","0.001","68.179","0.001","73.86","0.001","1174.92","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Mo4 N4 O17 Zn -","- C13 H12 Mo4 N4 O17 Zn -","- C26 H24 Mo8 N8 O34 Zn2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0334","0.0257","","","0.056","0.0587","","","","","","1.049","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243749","9.5458","0.0005","11.1569","0.0006","12.2071","0.0007","83.619","0.001","68.162","0.001","74.084","0.001","1160.46","0.11","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Mo4 N4 Ni O17 -","- C13 H13 Mo4 N4 Ni O17 -","- C26 H26 Mo8 N8 Ni2 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.027","0.0219","","","0.052","0.0541","","","","","","1.032","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243750","13.2622","0.0008","13.533","0.0008","16.2984","0.001","87.28","0.001","74.467","0.001","88.037","0.001","2814.5","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cd Mo12 N8 O46 P -","- C26 H24 Cd Mo12 N8 O46 P -","- C52 H48 Cd2 Mo24 N16 O92 P2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0735","0.043","","","0.0871","0.0999","","","","","","1.018","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243751","9.3815","0.0008","12.1909","0.001","14.0591","0.0011","92.007","0.006","101.5","0.007","101.086","0.007","1541.7","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 La N2.3 O10.9 -","- C26 H14 La N2.3 O10.9 -","- C52 H28 La2 N4.6 O21.8 -","2","1","","Liu, Jian-Jun; Fu, Jia-Jia; Li, Gui-Jun; Liu, Teng; Xia, Shu-Biao; Cheng, Fei-Xiang","A water-stable photochromic MOF with controllable iodine sorption and efficient removal of dichromate","CrystEngComm","2021","23","43","7628","7634","10.1039/D1CE00935D","","","0.71073","MoKα","","0.0599","0.0507","","","0.1274","0.1306","","","","","","1.112","","","","has coordinates","271161","2021-12-07","02:55:00",""
"7243752","5.7835","0.0005","16.051","0.0015","21.5072","0.0017","90","","94.365","0.002","90","","1990.7","0.3","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cu N6 O8 -","- C40 H48 Cu N6 O8 -","- C80 H96 Cu2 N12 O16 -","2","0.5","","Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira","Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure","CrystEngComm","2021","23","46","8139","8149","10.1039/D1CE01290H","","","0.71073","MoKα","","0.0622","0.0439","","","0.1163","0.1254","","","","","","1.054","","","","has coordinates","271179","2021-12-07","03:09:14",""
"7243753","15.728","0.0004","13.5055","0.0002","24.0316","0.0006","90","","108.218","0.003","90","","4848.8","0.2","104.9","","104.9","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Cu F3 N4 O3 P2 S -","- C56 H44 Cu F3 N4 O3 P2 S -","- C224 H176 Cu4 F12 N16 O12 P8 S4 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0574","0.0413","","","0.0887","0.0971","","","","","","1.021","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243754","14.5279","0.0003","19.7802","0.0004","16.4881","0.0003","90","","93.0114","0.0016","90","","4731.56","0.16","105.2","","105.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55.27 H45.07 B Cu F4 N4 O0.27 P2 -","- C55.268 H45.072 B Cu F4 N4 O0.268 P2 -","- C221.072 H180.288 B4 Cu4 F16 N16 O1.072 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0459","0.0339","","","0.0717","0.0776","","","","","","1.046","","","","has coordinates,has disorder","271833","2022-01-06","21:13:46",""
"7243755","16.0954","0.0006","13.4388","0.0004","23.1216","0.0009","90","","107.221","0.004","90","","4777.1","0.3","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Cl Cu N4 O4 P2 -","- C55 H43 Cl Cu N4 O4 P2 -","- C220 H172 Cl4 Cu4 N16 O16 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0781","0.0727","","","0.2205","0.2279","","","","","","1.097","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243756","11.9044","0.0001","19.1935","0.0002","21.5471","0.0003","90","","105.907","0.001","90","","4734.71","0.09","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Br Cu N4 O2 P2 -","- C57 H52 Br Cu N4 O2 P2 -","- C228 H208 Br4 Cu4 N16 O8 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1249","0.1259","","","","","","1.028","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243757","14.3536","0.0001","20.0276","0.0002","16.8454","0.0002","90","","94.109","0.001","90","","4830.07","0.08","132.99","0.1","132.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cu I N4 O P2 -","- C56 H48 Cu I N4 O P2 -","- C224 H192 Cu4 I4 N16 O4 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.0914","0.0921","","","","","","1.052","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243758","8.9053","0.0018","12.585","0.003","17.847","0.004","90","","90.73","0.03","90","","2000","0.8","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N14 O16 -","- C8 H12 N14 O16 -","- C32 H48 N56 O64 -","4","1","","Zhang, Wenjin; Bao, Lingxiang; Fei, Teng; Lv, Penghao; Sun, Chenghui; Pang, Siping","Taming CL-20 through hydrogen bond interaction with nitromethane","CrystEngComm","2021","23","46","8099","8103","10.1039/D1CE01275D","","","0.71073","MoKα","","0.0564","0.0458","","","0.1482","0.1848","","","","","","1.187","","","","has coordinates,has disorder","271174","2021-12-07","03:07:57",""
"7243759","8.79899","0.00006","12.17385","0.00009","15.22942","0.00012","90","","90","","90","","1631.34","0.02","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","1.54187","CuKα","","0.0293","0.0292","","","0.0744","0.0745","","","","","","1.089","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243760","14.8313","0.0005","16.0368","0.0007","20.2334","0.0007","90","","91.974","0.003","90","","4809.6","0.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N3 O3 S -","- C28 H23 N3 O3 S -","- C224 H184 N24 O24 S8 -","8","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1054","0.057","","","0.119","0.1376","","","","","","1.022","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243761","8.4505","0.0004","13.524","0.0006","13.0184","0.0006","90","","100.599","0.005","90","","1462.42","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C56 H56 Cl4 N4 O16 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.062","0.0418","","","0.09","0.0969","","","","","","1.036","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243762","8.4205","0.0005","9.8122","0.0005","11.2928","0.0006","93.998","0.004","101.829","0.005","108.5","0.005","856.87","0.09","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl N2 O2 S -","- C17 H13 Br Cl N2 O2 S -","- C34 H26 Br2 Cl2 N4 O4 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0484","0.033","","","0.0673","0.0715","","","","","","1.067","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243763","31.8179","0.0011","8.1924","0.0003","17.861","0.0006","90","","103.002","0.003","90","","4536.4","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0468","0.0421","","","0.1102","0.1135","","","","","","1.058","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243764","10.2247","0.0006","13.3486","0.0006","15.0139","0.0013","90","","98.168","0.007","90","","2028.4","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N3 O2 S -","- C23 H20 F N3 O2 S -","- C92 H80 F4 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1268","0.0632","","","0.1393","0.162","","","","","","1.03","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243765","9.0097","0.0005","12.3524","0.0007","12.9152","0.0007","82.341","0.005","84.612","0.005","84.72","0.005","1413.62","0.14","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.153","0.0774","","","0.1845","0.2176","","","","","","1.016","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243766","12.6908","0.0004","11.0757","0.0003","15.7411","0.0005","90","","91.683","0.003","90","","2211.61","0.12","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N3 O2 S -","- C25 H24 N3 O2 S -","- C100 H96 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0607","0.0518","","","0.1177","0.1219","","","","","","1.119","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243767","8.3499","0.0005","11.4704","0.0004","13.571","0.0006","101.723","0.004","95.458","0.004","110.537","0.004","1172","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C52 H54 N6 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0849","0.0536","","","0.125","0.137","","","","","","1.035","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243768","9.175","0.0005","5.9502","0.0003","22.5","0.0013","90","","95.764","0.005","90","","1222.13","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F N O2 S -","- C13 H12 F N O2 S -","- C52 H48 F4 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0697","0.051","","","0.1306","0.144","","","","","","1.073","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243769","11.5492","0.0005","7.5883","0.0004","31.0045","0.0014","90","","90","","90","","2717.2","0.2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C128 H96 F8 N8 O16 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0557","0.0385","","","0.0853","0.0907","","","","","","1.029","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243770","11.7276","0.0004","14.3853","0.0004","16.9385","0.0005","99.089","0.002","98.944","0.002","110.799","0.003","2567.63","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Br4 N8 O4 S2 -","- C54 H42 Br4 N8 O4 S2 -","- C108 H84 Br8 N16 O8 S4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0716","0.041","","","0.071","0.0779","","","","","","1.022","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243771","9.958","0.0004","21.7896","0.001","6.0999","0.0003","90","","90","","90","","1323.56","0.1","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0302","0.0259","","","0.0525","0.0541","","","","","","1.086","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243772","5.0813","0.0004","20.4639","0.0013","12.2504","0.0009","90","","90.757","0.006","90","","1273.72","0.16","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O2 S -","- C13 H10 F3 N O2 S -","- C52 H40 F12 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0766","0.0676","","","0.1769","0.1812","","","","","","1.092","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243773","10.0096","0.0003","12.4631","0.0006","17.7972","0.0007","80.489","0.004","73.938","0.003","87.66","0.003","2104.19","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F N3 O2 S -","- C24 H22 F N3 O2 S -","- C96 H88 F4 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.115","0.0951","","","0.2732","0.2847","","","","","","1.052","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243774","8.56656","0.00014","11.3193","0.00019","12.12655","0.00019","85.376","0.0013","87.7729","0.0013","80.6487","0.0014","1156.08","0.03","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl4 N2 O4 S -","- C20 H19 Cl4 N2 O4 S -","- C40 H38 Cl8 N4 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0423","0.037","","","0.0967","0.1","","","","","","1.046","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243775","8.24874","0.00018","9.01497","0.00018","29.484","0.0006","82.9508","0.0016","83.6918","0.0018","76.4332","0.0018","2107.72","0.08","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F3 N3 O2 S -","- C23 H18 F3 N3 O2 S -","- C92 H72 F12 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0604","0.0484","","","0.1213","0.1257","","","","","","1.104","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243776","15.703","0.0005","30.2596","0.0008","17.0294","0.0006","90","","111.871","0.004","90","","7509.4","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H68 F3 N11 O6 S3 -","- C88 H68 F3 N11 O6 S3 -","- C352 H272 F12 N44 O24 S12 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0905","0.0538","","","0.1226","0.1367","","","","","","1.065","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243777","8.123","0.008","20.61","0.02","18.053","0.017","90","","99.8","0.03","90","","2978","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Cl2 N8 O6 -","- C52 H94 Cl2 N8 O6 -","- C104 H188 Cl4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1124","0.0679","","","0.1923","0.2326","","","","","","1.024","","","","has coordinates","271156","2021-12-07","02:52:12",""
"7243778","21.998","0.002","8.4985","0.0005","19.2091","0.0015","90","","99.496","0.007","90","","3541.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Cl2 F12 N8 O2 -","- C60 H102 Cl2 F12 N8 O2 -","- C120 H204 Cl4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.2107","0.0809","","","0.1395","0.1949","","","","","","0.984","","","","has coordinates,has disorder","271156","2021-12-07","02:52:15",""
"7243779","12.8556","0.0012","13.8433","0.0013","8.8264","0.0011","90","","99.395","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F12 N6 O2 -","- C28 H30 F12 N6 O2 -","- C56 H60 F24 N12 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1976","0.0804","","","0.1794","0.2657","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:25",""
"7243780","21.98","0.002","8.6346","0.001","19.393","0.0018","90","","99.074","0.003","90","","3634.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Br2 F12 N8 O2 -","- C60 H102 Br2 F12 N8 O2 -","- C120 H204 Br4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1752","0.0687","","","0.1545","0.2061","","","","","","0.997","","","","has coordinates,has disorder","271156","2021-12-07","02:52:29",""
"7243781","8.2545","0.0015","20.43","0.004","18.277","0.003","90","","100.194","0.006","90","","3033.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Br2 N8 O6 -","- C52 H94 Br2 N8 O6 -","- C104 H188 Br4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1009","0.0511","","","0.1407","0.1721","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:41",""
"7243803","11.0626","0.0005","13.5522","0.0006","11.9227","0.0005","90","","94.194","0.002","90","","1782.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Bi2 N10 O14 -","- C32 H28 Bi2 N10 O14 -","- C64 H56 Bi4 N20 O28 -","2","0.5","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0506","0.0277","","","0.0417","0.0461","","","","","","1.021","","","","has coordinates","271171","2021-12-07","03:06:58",""
"7243804","36.9899","0.0017","9.7296","0.0004","18.0256","0.0008","90","","90.543","0.002","90","","6487.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Bi F6 N4 O7 S2 -","- C31 H19 Bi F6 N4 O7 S2 -","- C248 H152 Bi8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0737","0.0839","","","","","","1.024","","","","has coordinates,has disorder","271171","2021-12-07","03:07:08",""
"7243805","10.2659","0.0006","10.8192","0.0006","14.9442","0.0008","91.545","0.002","92.281","0.002","109.003","0.002","1566.73","0.15","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Br F6 N3 O4 S2 -","- C31 H19 Bi Br F6 N3 O4 S2 -","- C62 H38 Bi2 Br2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0157","0.0144","","","0.0334","0.0338","","","","","","1.059","","","","has coordinates,has disorder","271171","2021-12-07","03:07:11",""
"7243806","37.6364","0.0016","9.6744","0.0004","18.2345","0.0007","90","","95.909","0.001","90","","6604.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Eu F6 N4 O7 S2 -","- C31 H19 Eu F6 N4 O7 S2 -","- C248 H152 Eu8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0356","0.0275","","","0.0622","0.0652","","","","","","1.061","","","","has coordinates,has disorder","271171","2021-12-07","03:07:14",""
"7243807","10.3216","0.0005","10.7535","0.0005","14.8647","0.0007","91.665","0.002","91.689","0.002","109.018","0.002","1557.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C62 H38 Bi2 Cl2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0268","0.0207","","","0.0381","0.0393","","","","","","1.044","","","","has coordinates,has disorder","271171","2021-12-07","03:07:17",""
"7243808","30.2542","0.0014","8.7876","0.0004","18.6371","0.0008","90","","96.051","0.001","90","","4927.3","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Bi Br2 F3 N3 O2 S -","- C23 H15 Bi Br2 F3 N3 O2 S -","- C184 H120 Bi8 Br16 F24 N24 O16 S8 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0229","0.0185","","","0.0412","0.0425","","","","","","1.128","","","","has coordinates","271171","2021-12-07","03:07:19",""
"7243811","13.2618","0.0009","8.7178","0.0006","13.2822","0.0009","90","","109.205","0.002","90","","1450.14","0.17","110","","110","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H40 N14 Ni2 -","- C16 H40 N14 Ni2 -","- C32 H80 N28 Ni4 -","2","0.25","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0673","0.0587","","","0.1399","0.1486","","","","","","1.115","","","","has coordinates,has disorder","272603","2022-02-04","19:18:06",""
"7243812","22.9171","0.0016","22.9171","0.0016","15.2853","0.0011","90","","90","","120","","6952.2","0.8","110","","110","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H20 N6 Ni S2 -","- C10 H20 N6 Ni S2 -","- C180 H360 N108 Ni18 S36 -","18","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0527","0.0486","","","0.1178","0.1217","","","","","","1.068","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243813","12.842","0.0006","14.8998","0.0006","16.5728","0.0007","90","","90","","90","","3171.1","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N10 Ni -","- C12 H20 N10 Ni -","- C96 H160 N80 Ni8 -","8","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0557","0.0485","","","0.1524","0.1623","","","","","","1.079","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243814","12.8292","0.0009","13.3387","0.001","18.2848","0.0014","90","","90","","90","","3129","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N6 S2 -","- C10 H20 Cu N6 S2 -","- C80 H160 Cu8 N48 S16 -","8","2","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.1357","0.0616","","","0.0683","0.0818","","","","","","1.007","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243815","9.5813","0.0006","9.5813","0.0006","7.5171","0.0005","90","","90","","90","","690.08","0.08","300","2","300","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H20 Br2 Cu N4 -","- C8 H20 Br2 Cu N4 -","- C16 H40 Br4 Cu2 N8 -","2","0.125","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","","0.71073","MoKα","","0.0468","0.0288","","","0.0327","0.035","","","","","","1.064","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243816","8.3568","0.0004","14.4655","0.0007","11.2207","0.0005","90","","92.8489","0.0012","90","","1354.74","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cu N10 -","- C8 H20 Cu N10 -","- C32 H80 Cu4 N40 -","4","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0268","0.022","","","0.0525","0.0547","","","","","","1.076","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243817","15.1276","0.0011","8.9116","0.0007","11.1889","0.0008","90","","90","","90","","1508.39","0.19","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H23 Br N4 Ni O2 -","- C10 H23 Br N4 Ni O2 -","- C40 H92 Br4 N16 Ni4 O8 -","4","0.5","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0548","0.0434","","","0.0814","0.0862","","","","","","1.182","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243818","7.8876","0.0005","8.3604","0.0006","9.668","0.0007","65.082","0.002","76.419","0.002","73.429","0.002","549.34","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H12 O12 Sc -","- C3 H12 O12 Sc -","- C6 H24 O24 Sc2 -","2","1","","Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing","Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties","CrystEngComm","2021","23","44","7813","7821","10.1039/D1CE01206A","","","0.71073","MoKα","","0.0511","0.0474","","","0.1319","0.1369","","","","","","1.056","","","","has coordinates","271154","2021-12-07","02:51:31",""
"7243819","13.9162","0.0005","25.5541","0.001","14.1871","0.0005","90","","106.461","0.001","90","","4838.4","0.3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 Mo12 N2 O64 Si -","- C52 H102 K4 Mo12 N2 O64 Si -","- C104 H204 K8 Mo24 N4 O128 Si2 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0754","0.0556","","","0.1054","0.1138","","","","","","1.041","","","","has coordinates","271838","2022-01-06","21:14:46",""
"7243820","13.9948","0.0007","25.5334","0.0013","14.1995","0.0007","90","","106.73","0.002","90","","4859.2","0.4","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 N2 O64 Si W12 -","- C52 H102 K4 N2 O64 Si W11.9998 -","- C104 H204 K8 N4 O128 Si2 W23.9996 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0729","0.0423","","","0.0718","0.0799","","","","","","1.018","","","","has coordinates","271838","2022-01-06","21:14:47",""
"7243821","7.057","0.0004","12.6851","0.0006","14.8883","0.0009","80.126","0.004","77.986","0.005","76.607","0.005","1257.45","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br4 I2 N4 O2 -","- C18 H18 Br4 I2 N4 O2 -","- C36 H36 Br8 I4 N8 O4 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0526","0.0507","","","","0.1452","","","","","","0.928","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243822","15.4807","0.0005","9.1376","0.0004","17.3524","0.0005","90","","91.217","0.003","90","","2454.06","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br4 Cl0 I2 N2 O2 -","- C18 H16 Br4 I2 N2 O2 -","- C72 H64 Br16 I8 N8 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0625","0.056","","","","0.1565","","","","","","1.044","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243823","10.9816","0.0002","15.6952","0.0002","13.8514","0.0002","90","","110.729","0.002","90","","2232.86","0.07","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Br2 Cl2 I2 N2 O -","- C15 H14 Br2 Cl2 I2 N2 O -","- C60 H56 Br8 Cl8 I8 N8 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0537","0.0522","","","","0.1591","","","","","","1.048","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243824","8.5741","0.0007","9.1611","0.0007","9.2506","0.0007","105.323","0.007","94.024","0.007","95.605","0.007","693.94","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","1","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0679","0.0635","","","","0.1949","","","","","","1.099","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243825","13.9401","0.0002","13.8771","0.0002","7.6055","0.0001","90","","90","","90","","1471.27","0.04","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C20 H30 Br4 I2 N4 O2 -","- C20 H32 Br4 I2 N4 O2 -","- C40 H64 Br8 I4 N8 O4 -","2","0.25","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0509","0.0504","","","","0.166","","","","","","1.163","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243826","7.773","0.0017","9.519","0.002","17.246","0.004","90","","91.254","0.004","90","","1275.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 I N O -","- C9 H8 Br2 I N O -","- C36 H32 Br8 I4 N4 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0608","0.0579","","","","0.1761","","","","","","1.037","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243827","6.95","0.0014","7.941","0.0016","21.253","0.004","96.36","0.03","93.79","0.03","101.98","0.03","1135.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H15 N5 -","- C29 H15 N5 -","- C58 H30 N10 -","2","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1922","0.0684","","","0.1265","0.1721","","","","","","1.002","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243828","9.951","0.005","11.055","0.004","11.472","0.006","61.503","0.013","81.14","0.01","82.377","0.01","1093.3","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C2.82 H1.64 N0.27 -","- C2.81818 H1.63636 N0.272727 -","- C62 H36 N6 -","22","11","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.0888","0.0587","","","0.1616","0.1865","","","","","","1.008","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243829","14.271","0.003","10.228","0.002","14.842","0.003","90","","98.44","0.03","90","","2142.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 N3 -","- C29 H18 N3 -","- C116 H72 N12 -","4","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1224","0.059","","","0.1352","0.1699","","","","","","1.005","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243830","11.6758","0.0005","9.9495","0.0005","31.6357","0.0012","90","","94.133","0.004","90","","3665.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 N2 O9.56 -","- C43 H34 N2 O9.56 -","- C172 H136 N8 O38.24 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1693","0.0724","","","0.1359","0.1752","","","","","","0.961","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243831","11.5248","0.0004","9.7579","0.0003","33.3652","0.0011","90","","95.796","0.001","90","","3733","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 N2 O9 -","- C43 H35 N2 O9 -","- C172 H140 N8 O36 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1275","0.0793","","","0.209","0.262","","","","","","0.829","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243832","11.1855","0.0002","9.8257","0.0002","33.0145","0.0006","90","","92.215","0.002","90","","3625.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.59 H33.41 N2.59 O8.41 -","- C43.588 H33.412 N2.588 O8.412 -","- C174.352 H133.648 N10.352 O33.648 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.0576","0.0509","","","0.1254","0.1285","","","","","","1.095","","","","has coordinates,has disorder","271834","2022-01-06","21:14:02",""
"7243833","11.8376","0.0005","9.829","0.0004","31.8542","0.0015","90","","95.889","0.002","90","","3686.7","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H74 N4 O19 -","- C86 H74 N4 O19 -","- C172 H148 N8 O38 -","2","0.5","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1367","0.0921","","","0.1509","0.1665","","","","","","1.129","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243835","21.43","0.0003","13.5076","0.0001","9.2943","0.0001","90","","113.17","0.001","90","","2473.4","0.05","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TBPADP","","","- C44 H89 O8 P2 -","- C44 H89 O8 P2 -","- C88 H178 O16 P4 -","2","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.10497","","","","","","0.10497","0.19512","0.715","","","","","","","has coordinates","271155","2021-12-07","02:51:49",""
"7243836","13.8216","0.0004","10.531","0.0003","9.538","0.0002","83.576","0.001","93.435","0.001","109.149","0.002","1302.86","0.06","300","","300","","","","","","","","","4","P -1","-P 1","2","TBP","","","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","1","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","1.77","synchrotron","","0.02813","","","","","","0.02811","0.06802","4.3378","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243837","19.5817","0.0002","19.58544","0.00006","12.02036","0.00006","90","","90","","90","","4610","0.05","300","","300","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","BTB-Pyram","","","- C21 O4 P -","- C21 O4 P -","- C168 O32 P8 -","8","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.12309","","","","","","0.12329","0.14659","0.4902","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243838","9.3115","0.0003","13.0344","0.0004","19.6397","0.0007","90","","91.56","0.003","90","","2382.78","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H45 O4 P -","- C22 H45 O4 P -","- C88 H180 O16 P4 -","4","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.0363","0.0322","","","0.0841","0.0864","","","","","","1.054","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243839","19.1921","0.0007","20.0035","0.0008","11.7616","0.0004","90","","90","","90","","4515.4","0.3","223","","223","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C42 H76 O8 P2 -","- C42 H76 O8 P2 -","- C168 H304 O32 P8 -","4","0.25","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1367","0.1489","","","","","","1.066","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243840","9.5325","0.0004","10.0097","0.0003","13.4783","0.0004","74.634","0.003","87.007","0.003","81.876","0.003","1227.5","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H41 O4 P -","- C24 H41 O4 P -","- C48 H82 O8 P2 -","2","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.084","0.0639","","","0.1843","0.1976","","","","","","1.111","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243841","15.9106","0.0005","14.2542","0.0004","15.9668","0.0005","90","","95.032","0.007","90","","3607.2","0.19","296","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 O4 P -","- C16 H25 O4 P -","- C128 H200 O32 P8 -","8","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","","1.54187","CuKα","","0.0815","0.0598","","","0.1823","0.2064","","","","","","1.083","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243854","9.5985","0.0004","23.0985","0.0011","16.6315","0.0007","90","","90","","90","","3687.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish","Structure–mechanical property relationship of a pentapeptide crystal","CrystEngComm","2021","23","46","8093","8098","10.1039/D1CE00738F","","x-ray","0.71073","MoKα","","0.0562","0.0482","","","0.1048","0.1119","","","","","","1.07","","","","has coordinates","271177","2021-12-07","03:08:47",""
"7243861","13.0139","0.0006","8.364","0.0004","15.6352","0.0007","90","","105.259","0.001","90","","1641.87","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cd N6 O10 -","- C38 H26 Cd N6 O10 -","- C76 H52 Cd2 N12 O20 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0393","0.0279","","","0.0715","0.078","","","","","","0.996","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243862","7.4456","0.0006","10.0938","0.0008","20.1002","0.0015","80.984","0.002","81.683","0.002","87.5","0.002","1475.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 Cd N5 O9 -","- C32 H25 Cd N5 O9 -","- C64 H50 Cd2 N10 O18 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.088","0.05","","","0.0901","0.1165","","","","","","1.005","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243863","8.604","0.005","10.136","0.005","11.831","0.005","90.865","0.005","101.993","0.005","101.402","0.005","987.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cd N2 O6 -","- C21 H18 Cd N2 O6 -","- C42 H36 Cd2 N4 O12 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.055","0.0421","","","0.1066","0.1139","","","","","","1.021","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243864","6.8068","0.0003","22.8205","0.0011","14.2425","0.0007","90","","92.986","0.001","90","","2209.35","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cd3 N4 O16 -","- C44 H42 Cd3 N4 O16 -","- C88 H84 Cd6 N8 O32 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0683","0.0414","","","0.0886","0.0994","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243865","9.033","0.005","9.906","0.005","19.233","0.005","98.94","0.005","96.928","0.005","115.762","0.005","1496.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O6 Zn -","- C33 H26 N4 O6 Zn -","- C66 H52 N8 O12 Zn2 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.1241","0.0737","","","0.2074","0.241","","","","","","1.057","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243866","4.8119","0.0005","12.3498","0.0012","34.966","0.004","90.387","0.002","93.527","0.002","93.29","0.002","2070.4","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cd2 Cl8 N4 O10 -","- C40 H20 Cd2 Cl8 N4 O10 -","- C80 H40 Cd4 Cl16 N8 O20 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","x-ray","0.71073","MoKα","K-L~3~","0.094","0.0556","","","0.1384","0.1635","","","","","","1.04","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243867","21.4405","0.0015","10.1496","0.0006","27.784","0.0018","90","","108.755","0.002","90","","5725.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C256 H208 Cd8 N32 O64 -","8","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.06","0.0342","","","0.0668","0.0757","","","","","","0.966","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243868","8.609","0.0007","9.6249","0.0008","17.9177","0.0014","97.561","0.002","94.156","0.002","116.185","0.002","1306.43","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.62 H3.12 N0.5 O Zn0.12 -","- C3.625 H3.125 N0.5 O Zn0.125 -","- C58 H50 N8 O16 Zn2 -","16","8","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0715","0.042","","","0.0824","0.0936","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243869","11.1927","0.001","12.9714","0.0011","21.8377","0.0019","80.98","0.005","77.033","0.005","76.035","0.005","2980.6","0.5","173","2","173.02","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","1","0.5","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.133","0.0635","","","0.1572","0.1865","","","","","","1.037","","","","has coordinates","271176","2021-12-07","03:08:25",""
"7243870","10.51","0.004","16.988","0.007","29.61","0.012","90","","90","","90","","5287","4","173","2","173.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N4 Ni O19 Zr3 -","- C33 H29 Cl3 N3 Ni O13 Zr3 -","- C132 H116 Cl12 N12 Ni4 O52 Zr12 -","4","1","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.0559","","","0.1086","0.1264","","","","","","0.99","","","","has coordinates","271176","2021-12-07","03:08:28",""
"7243871","16.9618","0.001","16.9618","0.001","28.201","0.003","90","","90","","120","","7026.5","0.9","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H81 Mn6 N12 Na3 O47 -","- C69.9998 H69.0002 Mn6 N12 Na3 O47.0002 -","- C209.999 H207.001 Mn18 N36 Na9 O141.001 -","3","0.166667","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0355","0.0314","","","0.0834","0.0881","","","","","","1.057","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243872","11.6155","0.0004","13.4396","0.0006","16.6802","0.0008","86.026","0.004","75.057","0.003","85.102","0.005","2503.64","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Mn3 N8 O24 -","- C38 H39 Mn3 N8 O24 -","- C76 H78 Mn6 N16 O48 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.171","0.092","","","0.2347","0.2937","","","","","","1.079","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243873","13.502","0.0007","14.1079","0.0008","15.3728","0.0007","84.81","0.004","68.896","0.004","77.273","0.005","2664.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Mn3 N6 Na2 O21 -","- C45 H51 Mn3 N6 Na2 O21 -","- C90 H102 Mn6 N12 Na4 O42 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0895","0.0687","","","0.1675","0.1847","","","","","","1.139","","","","has coordinates,has disorder","271843","2022-01-06","21:16:20",""
"7243878","12.765","0.0007","12.8233","0.0008","14.6204","0.0008","76.975","0.005","64.278","0.005","68.218","0.006","1996.2","0.2","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 Dy N9 O4 -","- C39 H48 Cl2 Dy N9 O4 -","- C78 H96 Cl4 Dy2 N18 O8 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0371","","","0.0807","0.0852","","","","","","1.059","","","","has coordinates","271836","2022-01-06","21:14:26",""
"7243879","9.1671","0.0005","11.9694","0.0008","19.5627","0.0011","84.62","0.005","84.325","0.005","88.419","0.005","2126.2","0.2","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Dy N10 O10 -","- C41 H43 Dy N10 O10 -","- C82 H86 Dy2 N20 O20 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0801","0.0615","","","0.124","0.1352","","","","","","1.047","","","","has coordinates,has disorder","271836","2022-01-06","21:14:27",""
"7243880","9.2418","0.0004","11.8854","0.0004","19.2808","0.0007","81.334","0.003","82.417","0.003","88.254","0.003","2075.24","0.14","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Dy N11 O11 -","- C40 H42 Dy N11 O11 -","- C80 H84 Dy2 N22 O22 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0362","","","0.0675","0.071","","","","","","1.071","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243881","11.8504","0.0004","9.1104","0.0003","37.8203","0.0011","90","","97.811","0.003","90","","4045.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Dy N10 O9 -","- C40 H43 Dy N10 O9 -","- C160 H172 Dy4 N40 O36 -","4","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0499","0.0408","","","0.065","0.0671","","","","","","1.188","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243882","46.8542","0.0019","18.1479","0.0008","18.2239","0.0008","90","","112.584","0.001","90","","14307.6","1.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C163 H183 B2 Dy2 O14 Si4 -","- C163 H183 B2 Dy2 O14 Si4 -","- C652 H732 B8 Dy8 O56 Si16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0995","0.0598","","","0.1301","0.157","","","","","","1.014","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243883","14.334","0.002","16.468","0.002","14.54","0.002","90","","113.635","0.003","90","","3144.3","0.7","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0914","0.0564","","","0.0996","0.1104","","","","","","0.996","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243884","14.2745","0.0004","16.2901","0.0005","15.0762","0.0004","90","","115.806","0.001","90","","3156.1","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H69 Dy N2 O5 Si3 -","- C72 H69 Dy N2 O5 Si3 -","- C144 H138 Dy2 N4 O10 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0504","0.0349","","","0.0539","0.0572","","","","","","1.028","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243885","14.2076","0.0006","14.4956","0.0006","20.1298","0.0008","75.221","0.002","83.003","0.002","64.803","0.001","3626.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H96 B Dy O6 Sn2 -","- C82 H96 B Dy O6 Sn2 -","- C164 H192 B2 Dy2 O12 Sn4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0886","0.0452","","","0.0787","0.0901","","","","","","1.031","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243886","16.5639","0.0008","17.9149","0.0009","25.3059","0.0015","104.626","0.003","106.317","0.002","91.236","0.002","6938.6","0.6","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C180 H372 Ag8 Mo32 N36 O108 -","4","2","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.1124","0.0742","","","0.1557","0.1699","","","","","","1.087","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243887","17.5214","0.0004","16.1843","0.0004","23.4644","0.0006","90","","90","","90","","6653.8","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H86 Ag2 Mo8 N8 O26 -","- C42 H86 Ag2 Mo8 N8 O26 -","- C168 H344 Ag8 Mo32 N32 O104 -","4","0.5","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0471","0.0505","","","","","","1.047","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243888","12.9493","0.0007","16.7502","0.0005","18.016","0.0009","88.198","0.001","74.295","0.001","68.962","0.001","3501.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C90 H186 Ag4 Mo16 N18 O54 -","2","1","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","","0.71073","MoKα","","0.1062","0.0694","","","0.1466","0.1824","","","","","","1.104","","","","has coordinates,has disorder","271844","2022-01-06","21:16:31",""
"7243889","11.4556","0.0003","26.8887","0.0007","9.5696","0.0003","90","","91.164","0.002","90","","2947.08","0.14","103","5","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lumifantrine-Fumaric Acid 2:1 salt","2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid","","- C32 H34 Cl3 N O3 -","- C32 H34 Cl3 N O3 -","- C128 H136 Cl12 N4 O12 -","4","1","","Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R.","The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine","CrystEngComm","2022","24","1","156","168","10.1039/D0CE01709D","","","0.71073","MoKα","","0.0692","0.0554","","","0.1315","0.1389","","","","","","1.023","","","","has coordinates,has disorder","272601","2022-02-04","19:17:40",""
"7243890","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243891","9.0815","0.0018","19.394","0.004","14.389","0.003","90","","101.562","0.003","90","","2482.9","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C96 H104 Cd4 N16 O24 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.049","","","","has coordinates,has disorder","272599","2022-02-04","19:17:28",""
"7243892","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.6","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243903","16.0135","0.0006","16.0135","0.0006","26.0061","0.0014","90","","90","","120","","5775.4","0.4","297","","297","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H42 N14 Ni -","- C54 H42 N14 Ni -","- C162 H126 N42 Ni3 -","3","0.166667","","Li, Bei; Lei, Qingjuan; Qin, Tong; Zhang, Xiaoxian; Zhao, Dongsheng; Wang, Feng; Li, Wenqian; Zhang, Zhengguo; Fan, Liming","Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks","CrystEngComm","2021","23","47","8260","8264","10.1039/D1CE01210J","","x-ray","1.54184","CuKα","","0.0624","0.0569","","","0.17","0.176","","","","","","1.144","","","","has coordinates","271835","2022-01-06","21:14:17",""
"7243904","7.9191","0.0004","21.1203","0.0007","8.6696","0.0004","90","","111.691","0.005","90","","1347.35","0.11","299.44","0.18","299.44","0.18","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs3 Ga2 H I8 O25 -","- Cs3 Ga2 H I8 O25 -","- Cs6 Ga4 H2 I16 O50 -","2","0.5","","Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]","CrystEngComm","2022","24","1","77","82","10.1039/D1CE01234G","","","0.71073","MoKα","","0.0369","0.0343","","","0.0765","0.0775","","","","","","1.234","","","","has coordinates,has disorder","272606","2022-02-04","19:18:57",""
"7243905","15.4575","0.0009","15.4575","0.0009","88.791","0.007","90","","90","","120","","18373","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1519","0.1067","","","0.29","0.319","","","","","","1.128","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243906","15.531","0.002","15.531","0.002","89.937","0.018","90","","90","","120","","18787","5","243","2","243","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.67","synchrotron","","0.1332","0.1014","","","0.2793","0.2997","","","","","","1.742","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243907","15.3498","0.0004","15.3498","0.0004","84.37","0.003","90","","90","","120","","17215.7","0.9","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H88 N18 O38 Zn3 -","- C108 H84 N18 O38 Zn3 -","- C648 H504 N108 O228 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1355","0.1171","","","0.2976","0.3111","","","","","","1.237","","","","has coordinates","271841","2022-01-06","21:15:54",""
"7243908","15.1763","0.0005","15.1763","0.0005","84.264","0.003","90","","90","","120","","16807.6","1","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O38 Zn3 -","- C108 H84 N17.991 O37.973 Zn3 -","- C648 H504 N107.946 O227.838 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1654","0.1409","","","0.3414","0.3564","","","","","","1.34","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243909","16.7706","0.0005","9.876","0.0003","30.6219","0.0009","90","","90","","90","","5071.8","0.3","165","","165","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.099","0.0796","","","0.188","0.1986","","","","","","1.119","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243910","16.955","0.003","9.9034","0.0015","30.69","0.006","90","","90","","90","","5153.2","1.6","255","","255","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1519","0.0645","","","0.1437","0.1887","","","","","","1.014","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243911","16.8821","0.001","9.894","0.0005","30.6933","0.0019","90","","90","","90","","5126.7","0.5","225","","225","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1222","0.0773","","","0.2072","0.2385","","","","","","1.084","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243912","17.015","0.006","9.93","0.003","30.709","0.008","90","","90","","90","","5189","3","270","","270","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1511","0.0652","","","0.146","0.1927","","","","","","1.02","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243913","16.9294","0.0017","9.9015","0.0008","30.714","0.003","90","","90","","90","","5148.5","0.8","240","","240","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1608","0.064","","","0.1591","0.2297","","","","","","1.057","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243914","17.064","0.002","9.9101","0.0012","30.823","0.004","90","","90","","90","","5212.4","1.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.171","0.0712","","","0.1615","0.2135","","","","","","1.024","","","","has coordinates","272622","2022-02-04","19:22:45",""
"7243915","16.988","0.004","9.9204","0.0018","30.779","0.006","90","","90","","90","","5187.1","1.8","285","","285","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1616","0.0671","","","0.1496","0.1989","","","","","","1.019","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243916","16.8302","0.0004","9.886","0.0002","30.6702","0.0008","90","","90","","90","","5103","0.2","195","","195","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0957","0.0704","","","0.1609","0.1735","","","","","","1.118","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243917","16.856","0.0004","9.8906","0.0003","30.6845","0.0009","90","","90","","90","","5115.6","0.2","210","","210","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1036","0.0758","","","0.1725","0.1848","","","","","","1.134","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243918","16.8024","0.0004","9.8815","0.0002","30.6532","0.0008","90","","90","","90","","5089.4","0.2","180","","180","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0932","0.0704","","","0.1578","0.1696","","","","","","1.102","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243919","32.7739","0.0005","32.7739","0.0005","73.5789","0.0011","90","","90","","120","","68444.8","1.8","130","2","130","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo132 N25.8 O628.56 Se30 -","- Mo132 N25.8 O628.56 Se30 -","- Mo396 N77.4 O1885.68 Se90 -","3","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","x-ray","0.71073","MoKα","","0.1164","0.0698","","","0.2187","0.2442","","","","","","1.149","","","","has coordinates","272623","2022-02-04","19:23:20",""
"7243920","50.337","0.007","50.337","0.007","61.099","0.012","90","","90","","120","","134072","4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C130.8 H784.8 Cl18 Mo792 N392.4 O3488.4 Se180 -","6","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","","0.79272","synchrotron","","0.1236","0.0921","","","0.2929","0.3187","","","","","","1.211","","","","has coordinates,has disorder","272623","2022-02-04","19:23:20",""
"7243921","8.3887","0.0007","10.3405","0.0009","11.1345","0.0011","80.652","0.001","89.883","0.002","80.627","0.001","940","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H5 Cd2 N7 O8 -","- C15 H7 Cd2 N7 O9 -","- C30 H14 Cd4 N14 O18 -","2","1","","Li, Jing; Zhao, Yun-Xiu; Wu, Qian; Yang, Hua; Lu, Jing; Ma, Hui-Yan; Wang, Su-Na; Li, Yun-Wu","A Cd-MOF fluorescence sensor with dual functional sites for efficient detection of metal ions in multifarious water environments","CrystEngComm","2021","23","47","8392","8403","10.1039/D1CE01308D","","","0.71073","MoKα","","0.1029","0.0945","","","0.2783","0.2999","","","","","","1.315","","","","has coordinates","271831","2022-01-06","21:13:20",""
"7243928","14.1916","0.0004","14.043","0.0005","26.3455","0.0006","90","","92.889","0.002","90","","5243.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Co N3 O5 -","- C29 H22 Co N3 O5 -","- C232 H176 Co8 N24 O40 -","8","1","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.1103","0.0607","","","0.1516","0.1774","","","","","","1.03","","","","has coordinates","271840","2022-01-06","21:15:15",""
"7243929","12.622","0.0009","11.7644","0.0009","23.5657","0.0017","90","","95.079","0.006","90","","3485.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H66 Co2 N14 O14 -","- C76 H66 Co2 N14 O14 -","- C152 H132 Co4 N28 O28 -","2","0.5","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.0844","0.0505","","","0.1148","0.1313","","","","","","1.028","","","","has coordinates,has disorder","271840","2022-01-06","21:15:15",""
"7243930","16.8783","0.0005","14.9191","0.0003","16.6035","0.0005","90","","108.071","0.003","90","","3974.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","sys-135-2","","- C44 H42 N6 O6 Zn -","- C44 H42 N6 O6 Zn -","- C176 H168 N24 O24 Zn4 -","4","1","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.1223","0.0709","","","0.11","0.1238","","","","","","1.06","","","","has coordinates","272605","2022-02-04","19:18:50",""
"7243931","10.8732","0.0006","15.9024","0.0009","17.0471","0.0007","105.773","0.004","103.099","0.004","91.265","0.004","2751.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","sys-109","","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","1","0.5","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.0543","0.0424","","","0.1056","0.1101","","","","","","1.117","","","","has coordinates,has disorder","272605","2022-02-04","19:18:50",""
"7243935","29.078","0.004","8.723","0.0012","12.0174","0.0016","90","","93.915","0.006","90","","3041.1","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.42 H25.64 F2 N5.21 O4 S2 -","- C29.424 H25.636 F2 N5.212 O4 S2 -","- C117.696 H102.544 F8 N20.848 O16 S8 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0745","0.0623","","","0.1397","0.1454","","","","","","1.05","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243936","7.892","0.0002","11.2256","0.0003","24.2967","0.0006","90","","90","","90","","2152.5","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F2 N5 O2 S -","- C22 H19 F2 N5 O2 S -","- C88 H76 F8 N20 O8 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.031","0.0285","","","0.0697","0.0711","","","","","","1.035","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243937","5.825","0.0003","17.3293","0.0008","9.7547","0.0004","90","","97.072","0.002","90","","977.18","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F2 N5 O S -","- C22 H17 F2 N5 O S -","- C44 H34 F4 N10 O2 S2 -","2","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0269","0.0258","","","0.0655","0.0663","","","","","","1.053","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243938","6.1215","0.0003","11.1722","0.0005","34.3989","0.0017","90","","90","","90","","2352.56","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F2 N5 O5 P S -","- C22 H20 F2 N5 O5 P S -","- C88 H80 F8 N20 O20 P4 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0292","0.0276","","","0.066","0.067","","","","","","1.062","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243939","17.497","0.005","17.497","0.005","17.497","0.005","90","","90","","90","","5357","3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","zinc;2-methylimidazol-3-ide","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1644","0.1137","","","0.2787","0.3136","","","","","","1.089","","","","has coordinates,has disorder","283751","2023-05-14","07:37:52",""
"7243940","7.0688","0.0011","7.0688","0.0011","4.157","0.0016","90","","90","","90","","207.72","0.09","293","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1652","0.1652","","","0.4466","0.4466","","","","","","3.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243941","13.507","0.01","11.432","0.007","11.114","0.009","90","","109.81","0.07","90","","1615","2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-tripyridin-4-yl-1,3,5-triazine","","- C18 H12 N6 -","- C18 H12 N6 -","- C72 H48 N24 -","4","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2375","0.19","","","0.4192","0.4328","","","","","","2.477","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243942","5.1022","0.0018","13.858","0.005","14.596","0.005","90","","90","","90","","1032","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","- C9 H12 N3 O5 -","- C9 H12 N3 O5 -","- C36 H48 N12 O20 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1583","0.0988","","","0.2293","0.2634","","","","","","1.044","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243943","7.8","0.5","20.2","0.2","11.5","0.2","90","","90","","90","","1812","12","293","","293","","","","","","","","","2","P n a 21","P 2c -2n","33","","1,3,5-triphenylbenzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1722","0.1067","","","0.2658","0.3098","","","","","","1.031","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243944","6.66","0.19","13.2","0.3","26.77","0.12","90","","90","","90","","2353","9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide","","- C23 H36 N2 O2 -","- C23 H36 N2 O2 -","- C92 H144 N8 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1799","0.1351","","","0.2804","0.3083","","","","","","1.086","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243945","9.146","0.004","9.99","0.005","13.028","0.005","93.78","0.04","97","0.04","101.72","0.04","1151.8","0.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.208","0.1545","","","0.3466","0.3697","","","","","","2.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243946","8.302","0.003","10.025","0.006","10.638","0.006","115.25","0.06","91.67","0.05","95.51","0.04","794.7","0.8","293","","293.15","","","","","","","","","6","P -1","-P 1","2","","N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide","","- C12 H8 F3 N5 O3 S -","- C12 H8 F3 N5 O3 S -","- C24 H16 F6 N10 O6 S2 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2143","0.1602","","","0.363","0.3769","","","","","","2.269","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243947","5.96","0.09","7.09","0.14","21.59","0.15","90","","90","","90","","912","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1455","0.1363","","","0.318","0.3235","","","","","","1.116","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243948","5.177","0.002","10.691","0.005","15.272","0.007","90","","90","","90","","845.3","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1663","0.1194","","","0.3194","0.3469","","","","","","1.156","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243949","7.344","0.005","9.645","0.006","12.087","0.007","90","","97.37","0.05","90","","849.1","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1471","0.1202","","","0.3152","0.3394","","","","","","1.074","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243950","26.34","0.1","7.03","0.1","14.16","0.16","90","","90","","90","","2622","5","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1178","0.092","","","0.2275","0.2452","","","","","","1.111","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243951","9.25","0.12","19.99","0.19","9.66","0.1","90","","111.6","0.8","90","","1661","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Fe N10 -","- C42 H28 Fe N10 -","- C84 H56 Fe2 N20 -","2","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1773","0.1659","","","0.3547","0.3604","","","","","","1.276","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243952","8.1229","0.0002","3.9138","0.0001","15.0718","0.0004","90","","92.013","0.002","90","","478.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl5 I -","- C6 Cl5 I -","- C12 Cl10 I2 -","2","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.028","0.026","","","0.0663","0.0674","","","","","","1.112","","","","has coordinates,has disorder","271828","2022-01-06","21:12:43",""
"7243953","3.9516","0.0001","11.1045","0.0002","12.2703","0.0003","112.085","0.002","91.11","0.002","96.392","0.002","494.72","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0268","0.0252","","","0.0633","0.0643","","","","","","1.075","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243954","3.9144","0.0001","10.6909","0.0001","12.4925","0.0002","111.51","0.001","93.205","0.001","91.807","0.001","484.858","0.016","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0751","0.0758","","","","","","1.076","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243955","3.9746","0.0001","10.7984","0.0002","12.4426","0.0003","111.056","0.002","93.327","0.002","93.491","0.002","495.61","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0298","0.0281","","","0.0724","0.074","","","","","","1.056","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243956","12.4079","0.0008","20.8937","0.0014","19.4442","0.0012","90","","90.801","0.002","90","","5040.4","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.5 H112.5 N2.5 O41 Yb6 -","- C88 H104 N2 O38 Yb6 -","- C176 H208 N4 O76 Yb12 -","2","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0952","0.0599","","","0.1442","0.1657","","","","","","1.022","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243957","11.3429","0.001","12.4311","0.001","18.5115","0.0014","90","","90","","90","","2610.2","0.4","150","","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H32 N3.33 O6.67 Zn -","- C21 H20 N2 O4 Zn -","- C84 H80 N8 O16 Zn4 -","4","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0758","0.0501","","","0.1293","0.1502","","","","","","1.053","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243966","12.9504","0.0007","12.8021","0.0006","6.8288","0.0004","90","","94.149","0.005","90","","1129.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 O6 Tb -","- C13 H6 O6 Tb -","- C52 H24 O24 Tb4 -","4","1","","Qiu, Miao-Miao; Chen, Ke-Fu; Liu, Qi-Rui; Miao, Wei-Ni; Liu, Bing; Xu, Ling","A ratiometric fluorescent sensor made of a terbium coordination polymer for the anthrax biomarker 2,6-dipicolinic acid with on-site detection assisted by a smartphone app","CrystEngComm","2022","24","1","132","142","10.1039/D1CE01256H","","","1.54178","CuKα","","0.0525","0.0456","","","0.1188","0.125","","","","","","1.064","","","","has coordinates","272600","2022-02-04","19:17:34",""
"7243970","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N5 O2 -","- C30 H27 N5 O2 -","- C120 H108 N20 O8 -","4","2","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243971","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272629","2022-02-04","19:24:26",""
"7243972","25.0401","0.0008","13.9581","0.0004","14.3689","0.0004","90","","102.219","0.001","90","","4908.3","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Eu N3 O11 -","- C17 H23 Eu N3 O11 -","- C136 H184 Eu8 N24 O88 -","8","1","","Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui","Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water","CrystEngComm","2022","24","3","552","559","10.1039/D1CE01411K","","","0.71073","MoKα","","0.0678","0.0497","","","0.1093","0.1182","","","","","","1.078","","","","has coordinates","272633","2022-02-04","19:25:29",""
"7243973","8.4045","0.001","8.6975","0.0009","9.854","0.0013","64.455","0.003","86.316","0.004","74.126","0.004","623.92","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ca N2 O7 -","- C11 H10 Ca N2 O7 -","- C22 H20 Ca2 N4 O14 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0904","0.0637","","","0.168","0.1819","","","","","","1.093","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243974","17.7069","0.0008","10.4537","0.0008","9.3801","0.0006","90","","92.379","0.004","90","","1734.78","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Ca N4 O8 -","- C14 H16 Ca N4 O8 -","- C56 H64 Ca4 N16 O32 -","4","0.5","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0419","0.0367","","","0.094","0.0982","","","","","","1.064","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243975","10.628","0.002","13.31","0.003","13.741","0.003","79.741","0.006","73.155","0.006","71.586","0.005","1757.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ca2 N8 O17 -","- C28 H34 Ca2 N8 O17 -","- C56 H68 Ca4 N16 O34 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.1592","0.1062","","","0.2921","0.3345","","","","","","1.051","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243976","6.7109","0.0003","10.271","0.0004","17.775","0.0007","90","","90","","90","","1225.19","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Ca N2 O5 -","- C11 H10 Ca N2 O5 -","- C44 H40 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0688","0.0594","","","0.1396","0.1436","","","","","","1.199","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243977","7.0098","0.0002","10.9304","0.0003","16.616","0.0005","92.618","0.001","99.659","0.001","102.704","0.001","1219.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C44 H40 Ca4 N8 O20 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0401","0.0325","","","0.0777","0.0821","","","","","","1.045","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243978","6.8835","0.0004","17.9272","0.0011","20.4957","0.0013","90","","90.043","0.003","90","","2529.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C88 H80 Ca8 N16 O40 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0788","0.055","","","0.1364","0.1487","","","","","","1.067","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243980","19.824","0.0007","13.4404","0.0005","13.6238","0.0005","90","","119.291","0.001","90","","3165.9","0.2","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl In N O7 -","- C14 H13 Cl In N O7 -","- C112 H104 Cl8 In8 N8 O56 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0208","0.0205","","","0.0485","0.0487","","","","","","1.09","","","","has coordinates","272625","2022-02-04","19:23:44",""
"7243981","19.849","0.002","13.4206","0.0015","13.6014","0.0015","90","","119.38","0.002","90","","3157.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 In N2 O9 -","- C14 H11 In N2 O9 -","- C112 H88 In8 N16 O72 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0799","0.0709","","","0.1605","0.1648","","","","","","1.192","","","","has coordinates,has disorder","272625","2022-02-04","19:23:44",""
"7243990","11.8741","0.0005","8.4164","0.0003","12.6736","0.0006","90","","90","","90","","1266.56","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Cl N O4 -","- C8 H24 Cl N O4 -","- C32 H96 Cl4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0366","0.0359","","","0.1005","0.1013","","","","","","1.042","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243991","7.242","0.0003","10.069","0.0004","14.7992","0.0006","90","","100.379","0.002","90","","1061.5","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O2 -","- C9 H16 Cl N O2 -","- C36 H64 Cl4 N4 O8 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0302","0.027","","","0.0713","0.0735","","","","","","1.045","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243992","7.5628","0.0002","9.9033","0.0003","25.3929","0.0007","90","","90","","90","","1901.84","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl2 N O2 -","- C5 H15 Cl2 N O2 -","- C40 H120 Cl16 N8 O16 -","8","2","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0189","0.0187","","","0.0492","0.0493","","","","","","1.063","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243993","12.0887","0.0006","8.5504","0.0005","12.7308","0.0007","90","","90","","90","","1315.9","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Br N O4 -","- C8 H24 Br N O4 -","- C32 H96 Br4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0219","0.0198","","","0.0422","0.0429","","","","","","1.023","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243994","7.5119","0.0001","7.5163","0.0002","17.4195","0.0003","90","","101.945","0.002","90","","962.24","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M.","Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal","CrystEngComm","2022","24","3","560","570","10.1039/D1CE01352A","","x-ray","1.54184","CuKα","","0.0449","0.0438","","","0.1075","0.1091","","","","","","1.052","","","","has coordinates","272628","2022-02-04","19:24:18",""
"7243995","19.7947","0.0004","9.4219","0.0002","3.5826","0.0001","90","0.0016","98.7506","0.0016","90","0.0017","660.39","0.03","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","0.5","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0562","0.0539","","","0.0732","0.0734","","","","4.4","4.4","4.14","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243996","19.7858","0.0008","9.397","0.0005","3.5684","0.0002","89.986","0.004","98.729","0.004","89.982","0.004","655.78","0.06","20","","20","","","","","","","","","4","C 1","C 1","1","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0537","0.0479","","","0.0622","0.0625","","","","3.96","3.96","3.73","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243997","16.733","0.0005","12.1818","0.0003","17.9613","0.0005","90","","91","0.002","90","","3660.64","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H41 Co F3 N5 O12 S -","- C34 H41 Co F3 N5 O12 S -","- C136 H164 Co4 F12 N20 O48 S4 -","4","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0471","0.0413","","","0.0885","0.0927","","","","","","1.031","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243998","12.5531","0.0004","13.0741","0.0004","14.6993","0.0005","68.163","0.003","65.87","0.003","64.215","0.003","1926.33","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","1","0.5","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","1.54178","CuKα","","0.0448","0.0374","","","0.0989","0.1062","","","","","","1.046","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243999","11.0416","0.0003","11.7979","0.0004","14.2305","0.0003","104.917","0.002","98.643","0.002","113.012","0.003","1581.79","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30.54 F3 N5 Ni O8.27 S -","- C31 H28 F3 N5 Ni O8.272 S -","- C62 H56 F6 N10 Ni2 O16.544 S2 -","2","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0706","0.0475","","","0.1103","0.1221","","","","","","1.03","","","","has coordinates,has disorder","272602","2022-02-04","19:17:49",""
"7244002","5.8675","0.0005","20.1101","0.0016","18.3448","0.0015","90","","98.579","0.004","90","","2140.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu Fe N2 O5 -","- C24 H22 Cu Fe N2 O5 -","- C96 H88 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.0519","0.0408","","","0.0959","0.1002","","","","","","1.093","","","","has coordinates","271117","2021-12-05","01:08:58",""
"7244003","6.34","0.03","15.31","0.05","23.14","0.09","90","","84.1","0.3","90","","2234","16","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co Fe N2 O4.48 -","- C23.4 H22 Co Fe N2 O3.277 -","- C93.6 H88 Co4 Fe4 N8 O13.108 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","powder diffraction","","1.54186","CuKα","","","","","","","","","","1.2529","","","","","","","has coordinates","271117","2021-12-05","01:09:19",""
"7244004","5.707","0.01","25.67","0.05","14.37","0.03","90","","97.07","0.05","90","","2089","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu Fe N2 O5 -","- C24 H18 Cu Fe N2 O5 -","- C96 H72 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.1057","0.0599","","","0.1285","0.1501","","","","","","1.135","","","","has coordinates","271117","2021-12-05","01:09:22",""
"7244005","5.9086","0.0003","16.8542","0.0008","21.1889","0.0012","90","","92.684","0.005","90","","2107.78","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cd Fe N2 O4.5 -","- C24 H21 Cd Fe N2 O4.5 -","- C96 H84 Cd4 Fe4 N8 O18 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0354","0.0315","","","0.0782","0.0799","","","","","","1.061","","","","has coordinates,has disorder","271117","2021-12-05","01:09:23",""
"7244006","10.2015","0.0008","12.2977","0.0006","13.0982","0.0005","105.694","0.004","92.706","0.005","93.349","0.005","1575.88","0.16","99.95","0.1","99.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Fe N2 O5 Zn -","- C38 H32 Fe N2 O5 Zn -","- C76 H64 Fe2 N4 O10 Zn2 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0385","0.0368","","","0.0993","0.1013","","","","","","1.048","","","","has coordinates","271117","2021-12-05","01:09:25",""
"7244007","23.977","0.011","12.069","0.005","8.344","0.004","90","","90","","90","","2414.6","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H24 Co Fe N2 O6 -","- C24 H24 Co Fe N2 O6 -","- C96 H96 Co4 Fe4 N8 O24 -","4","0.5","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.0912","0.0605","","","0.1042","0.1181","","","","","","1.141","","","","has coordinates","271117","2021-12-05","01:09:28",""
"7244008","10.241","0.006","12.46","0.009","13.234","0.009","106.27","0.03","91.968","0.017","93.26","0.02","1616.2","1.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Co Fe N2 O5 -","- C38 H32 Co Fe N2 O5 -","- C76 H64 Co2 Fe2 N4 O10 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.2261","0.0925","","","0.1296","0.1775","","","","","","1.073","","","","has coordinates","271117","2021-12-05","01:09:31",""
"7244009","10.7394","0.0004","12.0118","0.0005","12.6687","0.0003","77.694","0.003","78.073","0.003","79.98","0.003","1547.74","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu Fe N2 O4 -","- C38 H30 Cu Fe N2 O4 -","- C76 H60 Cu2 Fe2 N4 O8 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.54184","CuKα","","0.0348","0.0324","","","0.0854","0.0873","","","","","","1.063","","","","has coordinates,has disorder","271117","2021-12-05","01:09:32",""
"7244014","20.3991","0.0005","15.4857","0.0003","30.0422","0.0005","90","","90","","90","","9490.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56.25 H45.25 N10.75 O1.75 -","- C51 H33 N9 -","- C408 H264 N72 -","8","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","1.34143","GaKα","","0.0746","0.0515","","","0.152","0.1612","","","","","","0.964","","","","has coordinates","272639","2022-02-04","19:27:25",""
"7244015","19.889","0.004","21.178","0.004","34.375","0.007","90","","104.32","0.03","90","","14029","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H80.1 Cl1.2 Cu3 F36 N9 O12 -","- C117.8 H75.3 Cl1.2 Cu3 F36 N9 O12 -","- C471.2 H301.2 Cl4.8 Cu12 F144 N36 O48 -","4","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","0.72083","synchrotron","","0.2092","0.1912","","","0.4998","0.5408","","","","","","1.177","","","","has coordinates,has disorder","272639","2022-02-04","19:27:25",""
"7244016","22.82","0.003","11.9888","0.0015","22.879","0.003","90","","111.912","0.004","90","","5807.2","1.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C128 H288 Br56 Mo24 N8 -","4","1","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.141","0.0643","","","0.1373","0.1684","","","","","","0.957","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244017","13.0071","0.001","11.6664","0.0009","19.0278","0.0014","90","","90.481","0.003","90","","2887.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.0792","0.0644","","","0.166","0.177","","","","","","1.027","","","","has coordinates","272627","2022-02-04","19:24:12",""
"7244018","13.1355","0.0004","11.7629","0.0003","18.9747","0.0006","90","","90.737","0.001","90","","2931.57","0.15","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.073","0.0416","","","0.0914","0.1031","","","","","","1.035","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244019","17.6067","0.0004","17.6067","0.0004","29.9221","0.0015","90","","90","","90","","9275.7","0.6","293","2","296.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 Mo12 N36 Ni7 O60 P -","- C24 H60 Mo12 N36 Ni7 O60 P -","- C96 H240 Mo48 N144 Ni28 O240 P4 -","4","0.25","","Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan","Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites","CrystEngComm","2022","24","3","579","586","10.1039/D1CE01471D","","","0.71073","MoKα","","0.0878","0.053","","","0.1372","0.163","","","","","","1.054","","","","has coordinates","272631","2022-02-04","19:24:49",""
"7244020","14.767","0.003","16.296","0.003","18.365","0.003","71.143","0.004","87.189","0.004","84.839","0.004","4164.3","1.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","1","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.1609","0.0798","","","0.1859","0.2351","","","","","","0.999","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244021","12.1279","0.0015","21.743","0.003","21.136","0.003","90","","102.364","0.002","90","","5444.2","1.3","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Co Mo24 N24 O82 Si2 -","- C52 H66 Co Mo24 N24 O82 Si2 -","- C104 H132 Co2 Mo48 N48 O164 Si4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0497","0.0345","","","0.0653","0.0705","","","","","","1.107","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244022","13.7397","0.0009","10.2909","0.0007","17.8945","0.0012","90","","105.235","0.001","90","","2441.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Co3 Mo6 N12 O32 Te -","- C26 H44 Co3 Mo6 N12 O32 Te -","- C52 H88 Co6 Mo12 N24 O64 Te2 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.046","0.0297","","","0.0604","0.0661","","","","","","1.015","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244023","23.2769","0.0007","13.9736","0.0004","19.3429","0.0006","90","","90","","90","","6291.5","0.3","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C104 H164 Cu10 Mo44 N48 O178 P4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0597","0.0437","","","0.1062","0.1173","","","","","","1.084","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244024","12.2348","0.0007","13.557","0.0008","13.8907","0.0008","110.677","0.001","110.381","0.001","98.307","0.001","1924.4","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H34 Cr Cu Mo6 N7 O31 -","- C12 H34 Cr Cu Mo6 N7 O31 -","- C24 H68 Cr2 Cu2 Mo12 N14 O62 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.064","0.0381","","","0.0764","0.086","","","","","","1.009","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244025","19.0455","0.0016","14.5002","0.0012","23.178","0.002","90","","95.835","0.001","90","","6367.8","0.9","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Co2 N12 O45.5 P W11 -","- C26 H52 Co2 N12 O45.5 P W11 -","- C104 H208 Co8 N48 O182 P4 W44 -","4","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0478","0.0285","","","0.0556","0.062","","","","","","1.042","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244026","8.3059","0.0003","10.2707","0.0004","27.0831","0.001","90.502","0.001","95.784","0.001","112.687","0.001","2117.91","0.14","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C26 H74 Co4 Mo12 N12 Na2 O70 Te2 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0576","0.0386","","","0.0867","0.0945","","","","","","1.054","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244034","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N5 O2 -","- C30 H27 N5 O2 -","- C120 H108 N20 O8 -","4","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7244035","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272604","2022-02-04","19:18:18",""
"7244036","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","272611","2022-02-04","19:19:52",""
"7244038","7.3849","0.0001","8.0981","0.0002","11.1254","0.0002","72.216","0.002","84.21","0.002","74.767","0.002","611.13","0.02","299.78","0.1","299.78","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0407","0.0398","","","0.1121","0.1132","","","","","","1.034","","","","has coordinates","272638","2022-02-04","19:26:55",""
"7244039","11.6672","0.00018","7.4166","0.0001","15.6676","0.0003","90","","108.305","0.0017","90","","1287.13","0.04","300.43","0.1","300.43","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.046","0.0424","","","0.1222","0.1255","","","","","","1.069","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244040","12.4611","0.0003","6.86735","0.00012","15.5404","0.0003","90","","110.487","0.002","90","","1245.75","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C52 H36 Cl8 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0436","0.0402","","","0.1131","0.1167","","","","","","1.086","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244041","14.2255","0.0002","24.628","0.0003","8.1632","0.0001","90","","99.282","0.001","90","","2822.49","0.06","259.6","0.6","259.6","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl4 N3 O4 -","- C28 H25 Cl4 N3 O4 -","- C112 H100 Cl16 N12 O16 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0548","0.0492","","","0.1291","0.1335","","","","","","1.033","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244042","6.5565","0.0001","17.6948","0.0004","12.4912","0.0003","90","","102.335","0.0006","90","","1415.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 N7 O8 -","- C11.9994 H5 N6.9994 O7.9994 -","- C47.9976 H20 N27.9976 O31.9976 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0813","0.0628","","","0.1475","0.1623","","","","","","1.039","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244043","12.0783","0.0003","12.3615","0.0003","12.6822","0.0003","107.053","0.001","95.261","0.001","112.021","0.001","1634.2","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H4 N20 O22 -","- C24 H4 N20 O22 -","- C48 H8 N40 O44 -","2","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0981","0.0696","","","0.1803","0.204","","","","","","1.093","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244044","7.1886","0.0008","17.2834","0.0019","12.4782","0.0014","90","","94.337","0.003","90","","1545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N8 O10 -","- C12 H4 N8 O10 -","- C48 H16 N32 O40 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.1003","0.0802","","","0.2155","0.2348","","","","","","1.068","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244051","13.0104","0.0005","7.1278","0.0003","17.3503","0.0007","90","","90","","90","","1608.99","0.11","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Cl]n","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0283","0.0255","","","0.0707","0.0746","","","","","","1.173","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244052","13.7536","0.0004","6.8778","0.0002","17.8671","0.0005","90","","90","","90","","1690.13","0.08","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)I]n","","- C6 H4 I N O3 Pb -","- C6 H4 I N O3 Pb -","- C48 H32 I8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0225","0.0195","","","0.049","0.0503","","","","","","1.116","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244053","13.2594","0.0007","7.0293","0.0004","17.5526","0.0009","90","","90","","90","","1635.98","0.15","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Br)n","","- C6 H4 Br N O3 Pb -","- C6 H4 Br N O3 Pb -","- C48 H32 Br8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0231","0.0197","","","0.0495","0.051","","","","","","1.106","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244055","19.4078","0.0001","19.4078","0.0001","23.1536","0.0002","90","","90","","120","","7552.69","0.09","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C30 H50 Cl2 Eu2 N2 O20 -","- C30 H49.9998 Cl2 Eu2 N2 O20 -","- C180 H299.999 Cl12 Eu12 N12 O120 -","6","1","","Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan","Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption","CrystEngComm","2022","24","6","1156","1160","10.1039/D1CE01244D","","","0.71073","MoKα","","0.0341","0.0295","","","0.068","0.0704","","","","","","1.072","","","","has coordinates,has disorder","273354","2022-03-04","22:08:12",""
"7244056","8.409","0.002","16.64","0.001","11.274","0.001","90","","101.37","0.02","90","","1546.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","Sulfathiazole, diethylmalonate solvate","Sulfathiazole, diethylmalonate (2:1) solvate","","- C25 H30 N6 O8 S4 -","- C25 H30 N6 O8 S4 -","- C50 H60 N12 O16 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0406","0.0396","","","0.1131","0.1141","","","","","","1.055","","","","has coordinates","272632","2022-02-04","19:25:18",""
"7244057","8.523","0.002","21.073","0.004","9.087","0.002","90","","96.54","0.03","90","","1621.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sebaconitrile solvate","Sulfathiazole, 1,10-decanedinitrile (2:1) solvate","","- C28 H34 N8 O4 S4 -","- C28 H34 N8 O4 S4 -","- C56 H68 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1026","0.0495","","","0.1015","0.1188","","","","","","0.988","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244058","8.783","0.001","14.728","0.004","23.8","0.005","90","","98.46","0.01","90","","3045.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclooctanone solvate","Sulfathiazole, cyclooctanone (2:1) solvate","","- C26 H32 N6 O5 S4 -","- C26 H32 N6 O5 S4 -","- C104 H128 N24 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1367","0.0691","","","0.166","0.1863","","","","","","0.918","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244059","8.636","0.002","19.187","0.004","9.354","0.002","90","","91.03","0.03","90","","1549.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, gamma-butyrolactone","Sulfathiazole, 4-butyrolactone (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0978","0.0554","","","0.1593","0.1754","","","","","","1.118","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244060","8.416","0.002","17.394","0.003","10.342","0.002","90","","104.7","0.03","90","","1464.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, diethyloxalate solvate","Sulfathiazole, oxalic acid diethyl ester (2:1) solvate","","- C24 H28 N6 O8 S4 -","- C24 H28 N6 O8 S4 -","- C48 H56 N12 O16 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1295","0.0605","","","0.1154","0.1296","","","","","","0.791","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244061","8.154","0.002","17.399","0.003","10.077","0.002","90","","101.32","0.03","90","","1401.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, adiponitrile solvate","Sulfathiazole, 1,6-hexanenitrile (2:1) solvate","","- C24 H26 N8 O4 S4 -","- C24 H26 N8 O4 S4 -","- C48 H52 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0415","0.0331","","","0.0821","0.0864","","","","","","1.057","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244062","11.448","0.002","14.224","0.003","15.323","0.003","90","","111.6","0.03","90","","2319.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, caprolactam solvate","Sulfathiazole, hexahydro-2H-azepin-2-one (1:2) solvate","","- C21 H31 N5 O4 S2 -","- C21 H31 N5 O4 S2 -","- C84 H124 N20 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0789","0.0552","","","0.1373","0.152","","","","","","1.029","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244063","8.01","0.002","20.82","0.004","8.99","0.002","90","","94.65","0.03","90","","1494.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, suberonitrile solvate","Sulfathiazole, 1,8-octanedinitrile (2:1) solvate","","- C26 H30 N8 O4 S4 -","- C26 H30 N8 O4 S4 -","- C52 H60 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71069","MoKα","","0.0531","0.0391","","","0.0859","0.093","","","","","","1.072","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244064","6.487","0.003","12.332","0.004","22.259","0.003","90","","94.19","0.03","90","","1775.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclohexanone solvate","Sulfathiazole, cyclohexanone (1:1) solvate","","- C15 H19 N3 O3 S2 -","- C15 H19 N3 O3 S2 -","- C60 H76 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1671","0.0832","","","0.2083","0.2309","","","","","","0.818","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244065","8.2478","0.0002","21.0191","0.0006","9.0739","0.0003","90","","96.534","0.001","90","","1562.85","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, butyronitrile solvate","Sulfathiazole, butyronitrile (1:1) solvate","","- C13 H16 N4 O2 S2 -","- C13 H16 N4 O2 S2 -","- C52 H64 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0892","0.0537","","","0.1274","0.1486","","","","","","1.041","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244066","8.051","0.002","11.492","0.002","15.552","0.003","77.45","0.03","88.64","0.02","88.64","0.02","1403.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole, dimethylethyleneurea solvate","Sulfathiazole, 1,3 dimethyl-2-imidazolidone (2:1) solvate","","- C23 H28 N8 O5 S4 -","- C23 H28 N8 O5 S4 -","- C46 H56 N16 O10 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1053","0.0498","","","0.0898","0.1069","","","","","","0.949","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244067","8.606","0.002","21.643","0.004","8.735","0.002","90","","98.76","0.03","90","","1608","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, beta-butyrolactone solvate","Sulfathiazole, 4-methyloxetan-2-one (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0886","0.0534","","","0.1217","0.1381","","","","","","1.029","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244068","6.036","0.001","21.02","0.004","12.791","0.003","90","","94.44","0.03","90","","1618","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sulfalone solvate","Sulfathiazole, tetramethylene sulfone (1:1) solvate","","- C13 H17 N3 O4 S3 -","- C13 H17 N3 O4 S3 -","- C52 H68 N12 O16 S12 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1133","0.0678","","","0.1452","0.1551","","","","","","0.814","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244069","6.613","0.003","12.074","0.003","22.085","0.003","90","","93.44","0.001","90","","1760.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cycloheptanone solvate","Sulfathiazole, cycloheptanone (1:1) solvate","","- C16 H21 N3 O3 S2 -","- C16 H21 N3 O3 S2 -","- C64 H84 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1215","0.1159","","","0.2809","0.2878","","","","","","1.124","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244070","8.363","0.0017","21.146","0.004","9.116","0.0018","90","","95.76","0.03","90","","1604","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, azelanitrile solvate","Sulfathiazole, 1,9-nonanedinitrile (2:1) solvate","","- C27 H32 N8 O4 S4 -","- C27 H32 N8 O4 S4 -","- C54 H64 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1437","0.1259","","","0.2951","0.3033","","","","","","1.216","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244071","8.3551","0.0009","18.88","0.003","10.7764","0.0017","90","","96.79","0.009","90","","1688","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, morpholine-4-carbonitrile solvate","Sulfathiazole, morpholine-4-carbonitrile (1:1) solvate","","- C14 H17 N5 O3 S2 -","- C14 H17 N5 O3 S2 -","- C56 H68 N20 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1879","0.0611","","","0.1112","0.1436","","","","","","0.933","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244072","16.533","0.003","9.996","0.001","19.81","0.002","90","","112.26","0.02","90","","3029.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, N,N'-Dimethylpropylene urea solvate","Sulfathiazole, 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (2:1) solvate","","- C24 H30 N8 O5 S4 -","- C24 H30 N8 O5 S4 -","- C96 H120 N32 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0758","0.0493","","","0.1416","0.1536","","","","","","1.097","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244073","8.4758","0.0003","20.7179","0.0009","9.6108","0.0005","90","","97.84","0.002","90","","1671.89","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, valeronitrile solvate","Sulfathiazole, pentanenitrile (1:1) solvate","","- C14 H18 N4 O2 S2 -","- C14 H18 N4 O2 S2 -","- C56 H72 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.097","0.0509","","","0.1074","0.125","","","","","","0.978","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244074","8.194","0.002","21.111","0.004","9.57","0.002","90","","94.2","0.03","90","","1651","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, alpha-angelica lactone solvate","Sulfathiazole, 5-Methyl-2(3H)-furanone (1:1) solvate","","- C14 H15 N3 O4 S2 -","- C14 H15 N3 O4 S2 -","- C56 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1212","0.0473","","","0.0909","0.1035","","","","","","0.698","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244075","8.417","0.002","20.975","0.004","9.472","0.002","90","","93.83","0.03","90","","1668.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, gamma-valerolactone solvate","Sulfathiazole, (+/-) 5-methyldihydrofuran-2-one (1:1) solvate","","- C14 H17 N3 O4 S2 -","- C14 H17 N3 O4 S2 -","- C56 H68 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1115","0.0494","","","0.1123","0.1265","","","","","","0.968","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244076","8.6785","0.0002","19.911","0.0006","10.0217","0.0003","90","","97.776","0.001","90","","1715.8","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, dodecanedinitrile solvate","Sulfathiazole, 1,12-dodecanedinitrile (2:1) solvate","","- C30 H38 N8 O4 S4 -","- C30 H38 N8 O4 S4 -","- C60 H76 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0575","0.0397","","","0.0956","0.1035","","","","","","1.023","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244077","16.616","0.003","16.088","0.003","12.63","0.003","90","","110.69","0.03","90","","3158.5","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sulfathiazole, N,N-dibutylformamide solvate","Sulfathiazole, N,N-dibutylformamide (2:1) solvate","","- C27 H37 N7 O5 S4 -","- C27 H37 N7 O5 S4 -","- C108 H148 N28 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0819","0.0859","","","","","","1.026","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244078","12.071","0.003","12.071","0.003","12.118","0.002","90","","90","","120","","1529.1","0.6","296","2","296.15","","","","","","","","","7","P 63/m","-P 6c","176","","","","- B9 Cd3 H3 K Na5 O38 P6 -","- B9 Cd3 H3 K Na5 O38 P6 -","- B18 Cd6 H6 K2 Na10 O76 P12 -","2","0.166667","","Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui","Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate","CrystEngComm","2022","24","3","479","483","10.1039/D1CE01449H","","","0.71073","MoKα","","0.095","0.0919","","","0.2092","0.2105","","","","","","1.071","","","","has coordinates","272634","2022-02-04","19:25:35",""
"7244085","13.921","0.003","16.888","0.003","7.6224","0.0015","90","","120","0.03","90","","1551.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","0.5","","Zhang, Xiunan; Wang, Jingkang; Yu, Fei; Cheng, Xiaowei; Hao, Yunhui; Liu, Yue; Huang, Xin; Wang, Ting; Hao, Hongxun","Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism","CrystEngComm","2022","24","4","854","862","10.1039/D1CE01285A","","","0.71073","MoKα","","0.0872","0.0541","","","0.1322","0.1473","","","","","","1.022","","","","has coordinates","272617","2022-02-04","19:20:37",""
"7244086","4.0639","0.0001","23.333","0.001","10.0221","0.0004","90","","93.341","0.003","90","","948.71","0.06","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-iodo-1-(4-nitrophenyl)prop-2-yn-1-one","","- C9 H4 I N O3 -","- C9 H4 I N O3 -","- C36 H16 I4 N4 O12 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.08","0.0835","","","","","","1.0409","","","","has coordinates","271547","2021-12-20","23:35:38",""
"7244087","19.4398","0.0005","19.4398","0.0005","5.0577","0.0001","90","","90","","90","","1911.33","0.08","200","2","200","2","","","","","","","","5","I -4","I -4","82","","1-(4-fluorophenyl)-3-iodoprop-2-yn-1-one","","- C9 H4 F I O -","- C9 H4 F I O -","- C72 H32 F8 I8 O8 -","8","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0398","0.039","","","0.1007","0.1014","","","","","","1.028","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244088","10.0763","0.0002","11.2448","0.0002","7.2619","0.0002","90","","91.013","0.001","90","","822.69","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-iodo-1-phenylprop-2-yn-1-one","","- C9 H5 I O -","- C9 H5 I O -","- C36 H20 I4 O4 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0279","0.0265","","","0.0687","0.0697","","","","","","1.061","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244089","5.6138","0.0003","7.8625","0.0004","11.1133","0.0005","104.33","0.002","96.117","0.002","94.399","0.003","469.84","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3-(3-iodopropioloyl)benzonitrile","","- C10 H4 I N O -","- C10 H4 I N O -","- C20 H8 I2 N2 O2 -","2","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0402","0.0392","","","0.1038","0.1053","","","","","","1.041","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244090","6.8676","0.0009","11.0423","0.001","13.0715","0.0011","82.581","0.007","74.932","0.009","77.837","0.009","932.79","0.17","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","3-iodo-1-(3-nitrophenyl)prop-2-yn-1-one","","- C9 H4 I N O3 -","- C9 H4 I N O3 -","- C36 H16 I4 N4 O12 -","4","2","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","0.71073","MoKα","","0.0614","0.0539","","","0.1161","0.1193","","","","","","1.152","","","","has coordinates,has disorder","271547","2021-12-20","23:35:40",""
"7244091","4.06532","0.00016","24.0246","0.0011","9.7176","0.0004","90","","96.002","0.004","90","","943.89","0.07","100.02","0.19","100.02","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-iodoprop-2-ynoyl)benzonitrile","","- C10 H4 I N O -","- C10 H4 I N O -","- C40 H16 I4 N4 O4 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","1.54184","CuKα","","0.0434","0.0429","","","0.1262","0.1271","","","","","","1.105","","","","has coordinates","271547","2021-12-20","23:35:40",""
"7244095","12.638","0.003","13.524","0.003","21.208","0.004","84.09","0.03","84.24","0.03","64.85","0.03","3257.3","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","1","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7927","synchrotron","","0.1267","0.1101","","","0.2865","0.3052","","","","","","1.022","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244096","31.887","0.006","23.216","0.005","23.261","0.005","90","","90","","90","","17220","6","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C130 H194 N14 O48 S8 Zn6 -","- C130 H194 N14 O48 S8 Zn6 -","- C520 H776 N56 O192 S32 Zn24 -","4","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7931","synchrotron","","0.1088","0.0713","","","0.1871","0.217","","","","","","1.025","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244097","22.981","0.003","22.981","0.003","13.534","0.003","90","","90","","90","","7148","2","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C108 H138 N4 Ni9 O50 S8 -","- C108 H138 N4 Ni9 O50 S8 -","- C216 H276 N8 Ni18 O100 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7937","synchrotron","","0.081","0.0645","","","0.1705","0.1856","","","","","","1.048","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244098","22.99439","0.00004","22.99439","0.00004","13.59342","0.00005","90","","90","","90","","7187.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C120 H162 Co9 N8 O54 S8 -","- C120 H162 Co9 N8 O54 S8 -","- C240 H324 Co18 N16 O108 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","x-ray","1.54184","CuKα","","0.0491","0.0484","","","0.1408","0.1417","","","","","","1.059","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244099","14.717","0.0006","14.3696","0.0006","23.7326","0.001","90","","90","","90","","5018.9","0.4","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C45 H49 Eu3 N12 O24 S4 -","- C33 H9 Eu3 N8 O20 S4 -","- C132 H36 Eu12 N32 O80 S16 -","4","0.5","","He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui","A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions","CrystEngComm","2022","24","5","1041","1048","10.1039/D1CE01503F","","","0.71073","MoKα","","0.0397","0.0384","","","0.1154","0.1166","","","","","","1.123","","","","has coordinates,has disorder","272614","2022-02-04","19:20:15",""
"7244112","11.3034","0.0006","12.7188","0.0006","21.9772","0.0012","82.236","0.002","76.045","0.002","75.545","0.002","2959.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Co","","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.072","0.0526","","","0.141","0.1565","","","","","","1.022","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244113","11.3213","0.0006","12.545","0.0007","21.9866","0.0013","82.573","0.002","76.173","0.002","75.347","0.002","2925.7","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Ni","","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.065","0.0477","","","0.1317","0.1446","","","","","","1.031","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244114","10.5089","0.0004","24.083","0.0011","6.4952","0.0003","90","","90","","90","","1643.84","0.12","150","2","149.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","artesiminin hemikis(acetylenedicarboxylic acid)","Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid)","","- C17 H23 O7 -","- C17 H23 O7 -","- C68 H92 O28 -","4","1","","Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong","Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation","CrystEngComm","2022","24","5","1056","1067","10.1039/D1CE01400E","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0922","","","","","","1.039","","","","has coordinates","272607","2022-02-04","19:19:04",""
"7244117","24.4715","0.0007","8.9399","0.0003","9.9133","0.0003","90","","90","","90","","2168.76","0.12","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C88 H80 Cd4 N16 O20 -","4","0.5","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0456","0.0289","","","0.0613","0.0662","","","","","","1.092","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244118","8.7652","0.0019","10.148","0.002","12.958","0.003","73.895","0.003","77.424","0.003","75.347","0.004","1057.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C44 H40 Cd2 N8 O10 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0306","0.0252","","","0.0667","0.0862","","","","","","1.187","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244119","9.907","0.005","10.86","0.005","11.41","0.006","114.119","0.006","107.767","0.007","97.924","0.007","1017.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C44 H36 Cd2 N8 O8 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.04","0.033","","","0.0976","0.1094","","","","","","1.077","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244120","7.9711","0.0004","38.293","0.002","13.9006","0.0007","90","","96.469","0.001","90","","4216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N8 O10 Zn2 -","- C44 H40 N8 O10 Zn2 -","- C176 H160 N32 O40 Zn8 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0648","0.0423","","","0.0894","0.1008","","","","","","1.125","","","","has coordinates","271657","2022-01-01","00:11:12",""
"7244121","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction","CrystEngComm","2022","","","","","10.1039/D1CE01659H","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","271769","2022-01-03","23:25:37",""
"7244122","9.1586","0.0002","10.0083","0.0003","12.7498","0.0004","90","","94.467","0.002","90","","1165.12","0.06","295.7","0.5","295.7","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Fe N2 O10 P2 -","- C5 H10 Fe N2 O10 P2 -","- C20 H40 Fe4 N8 O40 P8 -","4","1","","Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction","CrystEngComm","2022","","","","","10.1039/D1CE01659H","","x-ray","1.54184","CuKα","","0.0661","0.0625","","","0.1566","0.162","","","","","","1.08","","","","has coordinates","271769","2022-01-03","23:25:38",""
"7244123","11.26","0.005","11.656","0.005","12.787","0.005","79.302","0.005","84.606","0.005","68.048","0.005","1529","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","1","0.5","","Li, Meng-Ting; Sun, Jing-Wen; Yi-Fei-Liu,; Niu, Mei-Hui; Zou, Han-Yu; Sun, Da-Qiang; Yu, Yang","POM-based metal organic frameworks with a woven fabric structure for lithium storage","CrystEngComm","2022","24","6","1279","1284","10.1039/D1CE01538A","","","0.71069","MoKα","","0.1479","0.0824","","","0.2423","0.2982","","","","","","1.048","","","","has coordinates","273356","2022-03-04","22:09:02",""
"7244124","14.1506","0.0013","14.5033","0.0014","22.5841","0.0017","90","","90.46","0.003","90","","4634.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H102 Cd2 Cl8 N34 O34 -","- C58 H80 Cd2 Cl8 N34 O24 -","- C116 H160 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0797","0.0703","","","0.206","0.2127","","","","","","1.007","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244125","14.075","0.005","14.636","0.004","22.677","0.007","90","","90.564","0.012","90","","4671","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H105 Cd2 Cl8 N34 O34 -","- C60 H76 Cd2 Cl8 N34 O24 -","- C120 H152 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0996","0.0697","","","0.2175","0.2364","","","","","","1.003","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244126","17.535","0.006","17.696","0.007","18.62","0.007","69.886","0.011","78.459","0.012","66.732","0.011","4970","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Cd Cl4 N33 O28 S -","- C53 H60 Cd Cl4 N33 O20 S -","- C106 H120 Cd2 Cl8 N66 O40 S2 -","2","1","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.1668","0.1141","","","0.2978","0.3415","","","","","","1.011","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244127","10.9002","0.0005","11.5504","0.0005","14.7377","0.0007","89.771","0.001","86.393","0.001","81.188","0.001","1829.94","0.14","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","1","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0898","0.0748","","","0.163","0.17","","","","","","1.165","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244128","16.046","0.0011","20.6074","0.0014","18.8644","0.0013","90","","96.972","0.002","90","","6191.7","0.7","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C96 H120 Cu8 Mo48 N48 O188 Si4 -","4","1","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1127","0.0621","","","0.1495","0.1791","","","","","","1.012","","","","has coordinates","272619","2022-02-04","19:21:06",""
"7244129","15.8588","0.0014","21.3036","0.0014","10.4152","0.0008","90","","98.134","0.002","90","","3483.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H41 Co2 N12 O49.5 Si W12 -","- C28 H41 Co2 N12 O49.5 Si W12 -","- C56 H82 Co4 N24 O99 Si2 W24 -","2","0.25","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0493","0.0348","","","0.0778","0.0854","","","","","","1.043","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244130","10.1453","0.0007","17.138","0.0011","19.2588","0.0012","90","","96.218","0.002","90","","3328.8","0.4","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu2 N12 O52 Si W12 -","- C28 H48 Cu2 N12 O52 Si W12 -","- C56 H96 Cu4 N24 O104 Si2 W24 -","2","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1286","0.0689","","","0.1058","0.1225","","","","","","1.075","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244131","14.0968","0.0004","10.5774","0.0003","15.0772","0.0005","90","","109.13","","90","","2123.98","0.11","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Mo6 N8 Ni2 O30 Te -","- C20 H36 Mo6 N8 Ni2 O30 Te -","- C40 H72 Mo12 N16 Ni4 O60 Te2 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0219","0.0197","","","0.049","0.0499","","","","","","1.104","","","","has coordinates","271803","2022-01-04","23:43:57",""
"7244132","14.0938","0.0009","10.6509","0.0009","15.1734","0.0011","90","","109.21","0.001","90","","2150.9","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Mo6 N8 O30 Te Zn2 -","- C20 H36 Mo6 N8 O30 Te Zn2 -","- C40 H72 Mo12 N16 O60 Te2 Zn4 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0233","0.019","","","0.0469","0.0488","","","","","","1.043","","","","has coordinates","271803","2022-01-04","23:43:58",""
"7244133","12.5062","0.0005","16.3162","0.0007","12.9106","0.0006","90","","94.116","0.001","90","","2627.7","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co Mo8 N8 O28 -","- C20 H30 Co Mo8 N8 O28 -","- C40 H60 Co2 Mo16 N16 O56 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.047","0.0323","","","0.0788","0.084","","","","","","1.038","","","","has coordinates","271803","2022-01-04","23:43:58",""
"7244134","7.388","0.0005","10.9847","0.0007","12.672","0.0009","84.161","0.001","80.99","0.001","73.956","0.001","974.29","0.11","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu Mo4 N4 O13 -","- C10 H12 Cu Mo4 N4 O13 -","- C20 H24 Cu2 Mo8 N8 O26 -","2","1","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0651","0.0356","","","0.0668","0.0765","","","","","","0.981","","","","has coordinates,has disorder","271803","2022-01-04","23:43:58",""
"7244135","12.4291","0.0009","12.762","0.001","25.4693","0.0019","78.479","0.002","89.827","0.002","76.701","0.002","3848.5","0.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H74 Cu6 N30 O88 P2 W24 -","- C60 H74 Cu6 N30 O88 P2 W24 -","- C60 H74 Cu6 N30 O88 P2 W24 -","1","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.1058","0.0608","","","0.1411","0.1591","","","","","","1.052","","","","has coordinates,has disorder","271803","2022-01-04","23:43:58",""
"7244137","12.47","0.003","10.334","0.002","13.219","0.003","90","","111.93","0.03","90","","1580.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O9 Y -","- C10 H16 N3 O9 Y -","- C40 H64 N12 O36 Y4 -","4","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.0621","0.057","","","0.1544","0.1583","","","","","","1.089","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244138","7.19","0.0014","7.578","0.0015","9.979","0.002","71.83","0.03","83.47","0.03","84.8","0.03","512.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O7 Y -","- C9 H6 O7 Y -","- C18 H12 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0731","0.0611","","","0.1613","0.1699","","","","","","1.14","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244139","7.635","0.0015","10.112","0.002","11.216","0.002","115.76","0.03","105.96","0.03","95.18","0.03","727.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N O7 Y -","- C12 H13 N O7 Y -","- C24 H26 N2 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.057","0.0558","","","0.1578","0.1591","","","","","","1.185","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244140","9.621","0.0019","9.918","0.002","11.149","0.002","77.87","0.03","80.29","0.03","79.96","0.03","1014.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O10 Y -","- C15 H20 N2 O10 Y -","- C30 H40 N4 O20 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0789","0.0718","","","0.2031","0.2113","","","","","","1.168","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244141","8.52","0.0017","10.069","0.002","16.751","0.003","81.28","0.03","79.95","0.03","79.63","0.03","1381.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N2 O18.5 Y2 -","- C18 H20 N2 O18.5 Y2 -","- C36 H40 N4 O37 Y4 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.75","synchrotron","","0.0789","0.0699","","","0.2312","0.2438","","","","","","1.115","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244142","9.573","0.0019","14.857","0.003","19.601","0.004","99.49","0.03","95.46","0.03","101.53","0.03","2670.4","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 N6 O26 Y4 -","- C34 H50 N6 O26 Y4 -","- C68 H100 N12 O52 Y8 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.1413","0.1002","","","0.3066","0.3316","","","","","","1.173","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244143","13.7701","0.0004","11.51","0.0003","29.1745","0.0007","90","","90.088","0.002","90","","4624","0.2","150","0.3","150","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N2 O15 -","- C20 H20 Cd2 N2 O15 -","- C160 H160 Cd16 N16 O120 -","8","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0373","0.0321","","","0.0638","0.0659","","","","","","1.074","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244144","8.0862","0.0015","8.1863","0.0013","8.4893","0.0011","72.651","0.013","81.681","0.013","65.767","0.017","488.97","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0614","0.0488","","","0.1187","0.1273","","","","","","1.045","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244145","9.0126","0.0001","18.6624","0.0001","9.1644","0.0001","90","","103.467","0.001","90","","1499.04","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cd3 N2 O21 -","- C20 H30 Cd3 N2 O21 -","- C40 H60 Cd6 N4 O42 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0418","0.0418","","","0.1045","0.1045","","","","","","1.072","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244146","4.8959","0.0001","10.063","0.0003","11.3009","0.0004","90","","95.584","0.003","90","","554.12","0.03","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O8 Zn -","- C10 H11 N O8 Zn -","- C20 H22 N2 O16 Zn2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0803","0.081","","","","","","1.068","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244147","4.8412","0.0002","10.1675","0.0004","11.332","0.0004","90","","95.158","0.004","90","","555.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Co N O8 -","- C10 H11 Co N O8 -","- C20 H22 Co2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0472","0.0461","","","0.1224","0.1241","","","","","","1.044","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244148","4.9056","0.0005","9.7392","0.001","11.4649","0.0014","90","","97.117","0.01","90","","543.53","0.1","150.1","0.4","150.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9.4 Cu N O7.2 -","- C10 H9.4 Cu N O7.2 -","- C20 H18.8 Cu2 N2 O14.4 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0611","0.0481","","","0.0958","0.0989","","","","","","0.953","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244149","7.4213","0.0003","19.3205","0.0006","10.8081","0.0004","90","","96.871","0.003","90","","1538.57","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O12 Zn2 -","- C10 H13 N O12 Zn2 -","- C40 H52 N4 O48 Zn8 -","4","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0391","0.0323","","","0.0774","0.0808","","","","","","1.081","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244150","14.1081","0.0001","14.3068","0.0002","23.1617","0.0003","90","","90.945","0.001","90","","4674.36","0.1","220","0.1","220","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51.25 H105.75 Cd6 N7.75 O55.5 -","- C48.55 H63.45 Cd6 N6.85 O36.6 -","- C97.1 H126.9 Cd12 N13.7 O73.2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0648","0.0626","","","0.1711","0.1735","","","","","","1.013","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244151","7.2467","0.0006","8.5509","0.0007","10.9978","0.0006","101.892","0.006","95.728","0.005","114.776","0.008","592.04","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cd N O8 -","- C10 H11 Cd N O8 -","- C20 H22 Cd2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0636","0.0668","","","","","","1.069","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244152","7.7777","0.0002","8.9715","0.0004","11.4851","0.0004","67.353","0.004","75.848","0.003","70.505","0.003","690.98","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0216","0.0199","","","0.0489","0.0496","","","","","","1.026","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244153","11.9314","0.0004","26.0057","0.001","10.2556","0.0003","90","","101.605","0.003","90","","3117.1","0.19","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0267","0.0232","","","0.0522","0.0535","","","","","","1","","","","has coordinates","271925","2022-01-06","23:38:14",""
"7244154","11.9641","0.0005","26.0973","0.001","10.2505","0.0004","90","","101.699","0.004","90","","3134","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0323","0.0276","","","0.0648","0.0663","","","","","","1.014","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244155","11.9564","0.0004","26.0615","0.001","10.2663","0.0004","90","","101.52","0.004","90","","3134.6","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.033","0.0284","","","0.0685","0.0705","","","","","","1.001","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244156","12.0314","0.0004","26.2812","0.001","10.1334","0.0004","90","","102.376","0.003","90","","3129.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.03","0.0251","","","0.0576","0.0592","","","","","","1.051","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244157","11.9956","0.0005","26.2113","0.0009","10.1788","0.0003","90","","102.258","0.004","90","","3127.5","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0297","0.0258","","","0.0621","0.0634","","","","","","1.059","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244158","12.0065","0.0006","26.2353","0.0011","10.1974","0.0003","90","","102.144","0.004","90","","3140.2","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0384","0.0322","","","0.0777","0.0806","","","","","","1.05","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244159","12.017","0.0005","26.3115","0.0011","10.1716","0.0004","90","","102.509","0.004","90","","3139.8","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0375","0.0313","","","0.0763","0.0792","","","","","","1.032","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244162","21.701","0.0007","6.1737","0.0002","20.5621","0.0007","90","","120.251","0.001","90","","2379.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","0.71073","MoKα","","0.062","0.0421","","","0.1018","0.1108","","","","","","1.031","","","","has coordinates","272611","2022-02-04","19:19:53",""
"7244167","11.853","0.002","14.016","0.002","16.932","0.003","105.883","0.003","99.311","0.003","92.164","0.003","2659.9","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H64 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.079","0.0587","","","0.1579","0.1754","","","","","","1.018","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244168","11.8092","0.0012","14.143","0.0015","17.0587","0.0019","106.843","0.0017","100","0.0016","91.8117","0.0016","2675.3","0.5","296","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H52 Mn2 Mo12 N8 Na4 O70 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0681","0.0483","","","0.1311","0.1451","","","","","","1.025","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244169","11.856","0.001","14.0079","0.0012","16.8886","0.0014","105.922","0.0013","99.3799","0.0014","92.0586","0.0015","2651.5","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","","0.71073","MoKα","","0.0659","0.0466","","","0.1248","0.1385","","","","","","1.022","","","","has coordinates","272608","2022-02-04","19:19:16",""
"7244170","12.079","0.002","13.62","0.002","17.023","0.003","75.738","0.003","80.286","0.003","89.388","0.003","2673.9","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C64 H60 K2 Mo12 N8 Na2 O69 P8 Zn -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0944","0.0601","","","0.1444","0.1727","","","","","","1.038","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244171","12.5169","0.0015","12.5282","0.0016","15.952","0.003","99.623","0.003","98.647","0.003","112.828","0.002","2208.5","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H88 As2 Cd4 Cl2 N12 O76 W18 -","- C18 H72 As2 Cd4 Cl2 N12 O74 W18 -","- C18 H72 As2 Cd4 Cl2 N12 O74 W18 -","1","0.5","","Hua, Jiai; Wei, Xueman; Ma, Xiang; Jiao, Jinzhe; Chai, Binghui; Wu, Chenbin; Zhang, Changli; Niu, Yulan","A {Cd4Cl2O14} cluster functionalized sandwich-type tungsto-arsenate as conformation modulator for misfolding Aβ peptide","CrystEngComm","2022","","","","","10.1039/D1CE01637G","","","0.71073","MoKα","","0.095","0.0799","","","0.1771","0.1896","","","","","","1.016","","","","has coordinates","271976","2022-01-10","23:29:12",""
"7244172","10.086","0.002","30.644","0.006","17.347","0.004","90","","90.27","0.03","90","","5361.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 N12 O14 Zn3 -","- C42 H30 N12 O14.06 Zn3 -","- C168 H120 N48 O56.24 Zn12 -","4","0.5","","Liu, Han-Fu; Tao, Ye; Qin, Xiao-Huan; Chen, Chao; Huang, Fu-Ping; Zhang, Xiu-Qing; Bian, He-Dong","Three-fold Interpenetrated Metal–Organic Framework as a Multifunctional Fluorescent Probe for Detecting 2,4,6-Trinitrophenol, Levofloxacin, and L-Cystine","CrystEngComm","2022","","","","","10.1039/D1CE01590G","","","0.71073","MoKα","","0.074","0.055","","","0.1207","0.1279","","","","","","1.031","","","","has coordinates,has disorder","271977","2022-01-10","23:29:40",""
"7244173","22.3971","0.0006","13.9013","0.0001","17.865","0.0005","90","","114.487","0.001","90","","5062","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H47 N5 O36 Pr3 -","- C35 H15 N5 O36 Pr3 -","- C140 H60 N20 O144 Pr12 -","4","0.5","","Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY","CrystEngComm","2022","","","","","10.1039/D1CE01601F","","","0.71073","MoKα","","0.1139","0.0784","","","0.1559","0.1779","","","","","","1.162","","","","has coordinates","271978","2022-01-10","23:30:26",""
"7244174","25.451","0.003","14.4966","0.0014","7.1113","0.0007","90","","95.795","0.006","90","","2610.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-acetyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile","","- C13 H9 N3 O3 S -","- C13 H9 N3 O3 S -","- C104 H72 N24 O24 S8 -","8","2","","Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY","CrystEngComm","2022","","","","","10.1039/D1CE01601F","","","0.71073","MoKα","","0.0977","0.0584","","","0.1342","0.1582","","","","","","1.099","","","","has coordinates","271978","2022-01-10","23:30:27",""
"7244175","14.4786","0.0006","11.6381","0.0006","34.8047","0.0016","90","","90.017","0.003","90","","5864.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1868","0.1302","","","0.3871","0.4345","","","","","","1.482","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244176","7.6581","0.0003","7.3941","0.0003","13.4241","0.0006","90","","98.09","0.002","90","","752.57","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-3,6-difluorobenzonitrile","","- C7 H2 Cl F2 N2 -","- C7 H3 Cl F2 N2 -","- C28 H12 Cl4 F8 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0517","0.0396","","","0.107","0.1217","","","","","","1.059","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244177","9.7777","0.0019","7.7816","0.0015","10.246","0.0016","90","","99.955","0.008","90","","767.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile","","- C7 H2 Cl F3 N2 -","- C7 H2 Cl F3 N2 -","- C28 H8 Cl4 F12 N8 -","4","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1221","0.0962","","","0.2726","0.282","","","","","","1.016","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244178","7.5702","0.0005","5.8303","0.0003","15.8912","0.0011","90","","96.846","0.003","90","","696.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,6-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C28 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0709","0.0455","","","0.1199","0.141","","","","","","1.026","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244179","14.459","0.0006","11.6131","0.0006","34.7535","0.0015","90","","90.333","0.003","90","","5835.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1175","0.0882","","","0.2544","0.2939","","","","","","0.954","","","","has coordinates,has disorder","272610","2022-02-04","19:19:43",""
"7244180","3.736","0.0007","8.4997","0.0017","10.654","0.002","90","","96.061","0.007","90","","336.43","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2,3,5-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C14 H6 F6 N4 -","2","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.038","0.0325","","","0.0949","0.102","","","","","","0.815","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244181","9.276","0.0004","9.884","0.0005","10.2679","0.0005","111.106","0.002","98.506","0.002","116.108","0.002","734","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,6-difluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0439","0.037","","","0.1032","0.1108","","","","","","1.035","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244182","9.4276","0.0006","9.9092","0.0006","10.3213","0.0007","111.749","0.002","97.219","0.003","116.798","0.002","747.91","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.042","0.0355","","","0.0925","0.0988","","","","","","1.031","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244183","7.0616","0.0004","12.96","0.0006","10.6639","0.0004","90","","94.752","0.004","90","","972.59","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C32 H44 N8 O16 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0607","0.0422","","","0.1065","0.1195","","","","","","1.029","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244184","7.6501","0.0002","11.8612","0.0004","10.4802","0.0003","90","","98.09","0.003","90","","941.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O8 S2 -","- C14 H20 N2 O8 S2 -","- C28 H40 N4 O16 S4 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","1.5418","CuKα","","0.0499","0.0407","","","0.1073","0.1157","","","","","","1.05","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244185","9.547","0.0008","10.2921","0.0009","11.4084","0.0011","70.436","0.009","66.208","0.009","86.296","0.007","963.26","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","1","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.1456","0.0636","","","0.1528","0.1948","","","","","","0.985","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244186","5.9712","0.0003","7.004","0.0003","20.4618","0.0009","90","","98.336","0.004","90","","846.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O6 -","- C14 H22 N4 O6 -","- C28 H44 N8 O12 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0441","0.0366","","","0.0945","0.1001","","","","","","1.049","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244187","8.5687","0.0006","15.4864","0.0011","9.023","0.0008","90","","94.159","0.007","90","","1194.18","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B6 N2 O11 -","- C3 H14 B6 N2 O11 -","- C12 H56 B24 N8 O44 -","4","1","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.047","0.0362","","","0.0957","0.1018","","","","","","1.043","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7244188","8.7306","0.0005","8.7306","0.0005","12.5809","0.0008","90","","90","","120","","830.48","0.09","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","1","0.166667","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.0341","0.0339","","","0.0973","0.0975","","","","","","1.086","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7244189","14.3707","0.0004","14.3707","0.0004","36.5666","0.0013","90","","90","","90","","7551.6","0.4","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C24 H56 Br18 N8 Pb5 -","- C24 H56 Br18 N8 Pb5 -","- C96 H224 Br72 N32 Pb20 -","4","0.125","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0734","0.0636","","","0.2312","0.24","","","","","","1.064","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244190","19.2189","0.0007","13.7924","0.0006","11.7827","0.0005","90","","90","","90","","3123.3","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Cl6 N2 Sn2 -","- C6 H14 Cl6 N2 Sn2 -","- C48 H112 Cl48 N16 Sn16 -","8","1","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0244","0.0184","","","0.061","0.078","","","","","","0.968","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244198","7.6333","0.0013","8.2742","0.0014","13.236","0.002","90.191","0.002","93.865","0.002","109.561","0.002","785.6","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Br N2 O8 Re2 -","- C8 H17 Br N2 O8 Re2 -","- C16 H34 Br2 N4 O16 Re4 -","2","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0257","0.0235","","","0.0577","0.0588","","","","","","1.068","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244199","8.8362","0.0005","12.7362","0.0005","13.7512","0.0005","91.289","0.002","94.366","0.002","96.252","0.002","1533.15","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Cl N2 O8 Re2 -","- C8 H17 Cl N2 O8 Re2 -","- C32 H68 Cl4 N8 O32 Re8 -","4","2","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0702","0.0593","","","0.1601","0.1649","","","","","","1.133","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244200","10.1928","0.0005","14.8794","0.0006","19.0803","0.0008","90","","90","","90","","2893.8","0.2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 F N2 O8 Re2 -","- C8 H17 F N2 O8 Re2 -","- C64 H136 F8 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0201","0.0159","","","0.0327","0.0338","","","","","","1.075","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244201","10.236","0.0013","14.7742","0.0019","19.084","0.002","90","","90","","90","","2886","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 N2 O8 Re2 -","- C8 H18 N2 O8 Re2 -","- C64 H144 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.05","0.0399","","","0.094","0.1002","","","","","","1.083","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244202","4.9136","0.0004","14.4136","0.0011","17.9643","0.0014","92.224","0.002","93.232","0.002","92.069","0.002","1268.36","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H25 N5 -","- C10 H25 N5 -","- C40 H100 N20 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0645","0.0534","","","0.1319","0.137","","","","","","1.124","","","","has coordinates,has disorder","273355","2022-03-04","22:08:52",""
"7244203","9.8206","0.0008","13.9643","0.0011","13.9819","0.0011","90","","90","","90","","1917.4","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 N5 Ni O2 P -","- C12 H28 F6 N5 Ni O2 P -","- C48 H112 F24 N20 Ni4 O8 P4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0275","0.0257","","","0.0673","0.0686","","","","","","1.059","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244204","5.1713","0.0004","27.181","0.002","18.8959","0.0014","90","","93.137","0.002","90","","2652","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O6 S3 -","- C25 H31 N3 O6 S3 -","- C100 H124 N12 O24 S12 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0535","0.0394","","","0.0941","0.101","","","","","","1.04","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244205","8.652","0.0008","11.9224","0.001","18.0909","0.0015","90","","90","","90","","1866.1","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl4 Co2 N5 -","- C10 H25 Cl4 Co2 N5 -","- C40 H100 Cl16 Co8 N20 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0259","0.0238","","","0.0602","0.0612","","","","","","1.043","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244206","7.9184","0.0006","6.7907","0.0005","14.7266","0.0011","90","","100.133","0.002","90","","779.52","0.1","150.15","","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cl2 Fe N5 -","- C10 H25 Cl2 Fe N5 -","- C20 H50 Cl4 Fe2 N10 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0231","0.0203","","","0.0515","0.0529","","","","","","1.061","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244207","14.6083","0.0011","14.3727","0.0011","16.8252","0.0012","90","","103.155","0.003","90","","3439.9","0.4","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl6 Co3 N10 -","- C20 H50 Cl6 Co3 N10 -","- C80 H200 Cl24 Co12 N40 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0357","0.0281","","","0.0664","0.0696","","","","","","1.034","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244208","9.1983","0.0007","9.1983","0.0007","43.795","0.004","90","","90","","120","","3209","0.5","150","","150","","","","","","","","","6","P 65","P 65","170","","","","- C10 H28 F12 Mn N6 P2 -","- C10 H28 F12 Mn N6 P2 -","- C60 H168 F72 Mn6 N36 P12 -","6","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0601","0.0478","","","0.1168","0.1251","","","","","","1.024","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244209","12.6817","0.001","25.67","0.003","12.8729","0.001","90","","106.102","0.007","90","","4026.2","0.7","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 F12 N5 P2 Zn -","- C10 H25 F11.996 N5 P2 Zn -","- C80 H200 F95.968 N40 P16 Zn8 -","8","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0788","0.0628","","","0.1758","0.1896","","","","","","1.067","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244210","9.0957","0.0008","9.2333","0.0009","22.464","0.002","97.589","0.003","93.469","0.002","96.344","0.002","1853.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H25 Cl2 Cr F6 N5 P -","- C10 H25 Cl2 Cr F6 N5 P -","- C40 H100 Cl8 Cr4 F24 N20 P4 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0611","0.0453","","","0.1058","0.1122","","","","","","1.05","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244211","7.7456","0.0007","10.3834","0.0009","11.001","0.001","75.896","0.002","88.525","0.002","85.227","0.002","855.1","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H21 Cl F6 N5 P Ru -","- C10 H21 Cl F6 N5 P Ru -","- C20 H42 Cl2 F12 N10 P2 Ru2 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0258","0.0235","","","0.0604","0.0618","","","","","","1.029","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244212","5.7301","0.0005","18.629","0.0015","16.8629","0.0016","90","","91.518","0.002","90","","1799.4","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N2 O10 S4 -","- C34 H40 N2 O10 S4 -","- C68 H80 N4 O20 S8 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0539","0.0351","","","0.085","0.0925","","","","","","1.023","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244213","18.619","0.002","9.6164","0.0008","11.7011","0.001","90","","110.806","0.004","90","","1958.4","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Cl2 F6 N5 P -","- C10 H28 Cl2 F6 N5 P -","- C40 H112 Cl8 F24 N20 P4 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0264","0.0245","","","0.0652","0.0664","","","","","","1.079","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244214","8.2222","0.0004","12.5513","0.0007","12.9958","0.0007","90","","104.977","0.002","90","","1295.6","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H31 Cu F12 N7 O4 P2 -","- C12 H31 Cu F12 N7 O4 P2 -","- C24 H62 Cu2 F24 N14 O8 P4 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.036","0.0355","","","0.0699","0.0702","","","","","","1.12","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244215","17.9648","0.0014","19.2765","0.0014","12.8235","0.001","90","","90","","90","","4440.8","0.6","150","","150","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C110.08 H245.12 F48 Fe8 I0.96 N40 O30.08 P8 -","8","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.064","0.0528","","","0.1538","0.1651","","","","","","1.033","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244216","15.3816","0.0011","9.2277","0.0011","12.6805","0.0011","90","","113.079","0.003","90","","1655.8","0.3","150","","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H27 Cl3 Cr N5 O -","- C10 H27 Cl3 Cr N5 O -","- C40 H108 Cl12 Cr4 N20 O4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0355","0.0296","","","0.0552","0.057","","","","","","1.044","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244217","14.5128","0.0014","12.7676","0.0011","32.102","0.003","90","","90","","90","","5948.3","0.9","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H25 Cl2 Co N5 -","- C10 H25 Cl2 Co N5 -","- C160 H400 Cl32 Co16 N80 -","16","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0742","0.0416","","","0.0836","0.0958","","","","","","1.034","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244218","7.09","0.0005","15.0538","0.0011","16.4613","0.0012","90","","90","","90","","1756.9","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl2 Cu N7 -","- C17 H13 Cl2 Cu N7 -","- C68 H52 Cl8 Cu4 N28 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0265","0.0223","","","0.0756","0.0881","","","","","","0.79","","","","has coordinates","273353","2022-03-04","22:07:53",""
"7244219","6.9172","0.0009","15.1342","0.0019","17.174","0.002","90","","90","","90","","1797.9","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl Cu N8 O3 -","- C17 H13 Cl Cu N8 O3 -","- C68 H52 Cl4 Cu4 N32 O12 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0383","0.0348","","","0.1067","0.1122","","","","","","0.883","","","","has coordinates","273353","2022-03-04","22:07:54",""
"7244220","13.2557","0.001","5.3985","0.0004","23.3604","0.0018","90","","103.761","0.001","90","","1623.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl ditelluride 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C15 H10 F2 I Te2 -","- C15 H10 F2 I Te2 -","- C60 H40 F8 I4 Te8 -","4","1","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0242","0.0195","","","0.0417","0.0433","","","","","","1.0356","","","","has coordinates","273357","2022-03-04","22:09:20",""
"7244221","6.82","0.0004","8.6628","0.0005","33.6106","0.0019","90","","92.684","0.002","90","","1983.5","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenylditelluride 1,4-diiodo-tetrafluorobenzene","","- C18 H10 F4 I2 Te2 -","- C18 H10 F4 I2 Te2 -","- C72 H40 F16 I8 Te8 -","4","0.5","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0479","0.045","","","0.0872","0.0879","","","","","","1.384","","","","has coordinates","273357","2022-03-04","22:09:30",""
"7244225","8.892","0.004","24.276","0.011","11.365","0.005","90","","109.798","0.007","90","","2308.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","1","0.25","","Zeng, Na-Na; Ren, Li; Cui, Guang-Hua","Ultrasensitive fluorescence detection of norfloxacin in aqueous medium employing a 2D Zn(ii)-based coordination polymer","CrystEngComm","2022","24","5","931","935","10.1039/D1CE01537K","","","0.71073","MoKα","","0.1611","0.0663","","","0.1522","0.1959","","","","","","0.983","","","","has coordinates,has disorder","272615","2022-02-04","19:20:22",""
"7244226","8.1236","0.0001","14.0468","0.0002","16.9496","0.0003","90","","90","","90","","1934.13","0.05","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0362","0.0345","","","0.0967","0.098","","","","","","1.107","","","","has coordinates","272111","2022-01-18","23:32:59",""
"7244227","23.301","0.0002","11.3788","0.0001","8.8743","0.0001","90","","90","","90","","2352.91","0.04","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0417","0.0397","","","0.1074","0.109","","","","","","1.086","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244228","8.1294","0.0002","14.0393","0.0003","16.9502","0.0003","90","","90","","90","","1934.54","0.07","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0287","0.0275","","","0.072","0.0728","","","","","","1.115","","","","has coordinates","272111","2022-01-18","23:33:00",""
"7244229","23.3004","0.0002","11.3861","0.0001","8.8768","0.0001","90","","90","","90","","2355.02","0.04","178","","178","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0377","","","0.1034","0.1052","","","","","","1.062","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244230","23.3149","0.0005","11.3966","0.0003","8.87109","0.00018","90","","90","","90","","2357.14","0.09","203","","203","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H8 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0959","0.0928","","","0.2594","0.2658","","","","","","1.16","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244231","23.3051","0.0002","11.4337","0.0001","8.8909","0.0001","90","","90","","90","","2369.1","0.04","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0446","0.0424","","","0.1174","0.1192","","","","","","1.072","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244232","8.16082","0.00019","14.265","0.0003","17.0946","0.0004","90","","90","","90","","1990.05","0.08","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0607","0.0568","","","0.1648","0.1694","","","","","","1.1","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244233","23.6012","0.0004","11.3363","0.0002","8.94002","0.00015","90","","90","","90","","2391.9","0.07","223","","223","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0934","0.0953","","","","","","1.082","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244234","23.3","0.0002","11.4013","0.0001","8.881","0.0001","90","","90","","90","","2359.24","0.04","188","","188","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.056","0.0542","","","0.1556","0.1577","","","","","","1.101","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244235","23.715","0.0008","11.4034","0.0004","8.9608","0.0004","90","","90","","90","","2423.28","0.16","293","","293","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0669","0.0576","","","0.1785","0.2082","","","","","","1.131","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244236","23.3143","0.0004","11.3889","0.0002","8.873","0.0002","90","","90","","90","","2356","0.08","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0638","0.061","","","0.1785","0.1826","","","","","","1.066","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244237","23.3143","0.0005","11.3349","0.0003","8.8651","0.0002","90","","90","","90","","2342.74","0.1","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0579","0.0552","","","0.1559","0.1598","","","","","","1.095","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244238","23.3008","0.0002","11.372","0.0001","8.8724","0.0001","90","","90","","90","","2350.98","0.04","168","","168","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0378","0.0356","","","0.0973","0.0991","","","","","","1.078","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244239","23.2933","0.0003","11.4091","0.0001","8.8839","0.0001","90","","90","","90","","2360.95","0.05","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0375","","","0.1038","0.1058","","","","","","1.064","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244240","23.3005","0.0004","11.4213","0.0002","8.882","0.0002","90","","90","","90","","2363.7","0.08","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0843","0.0811","","","0.2268","0.2321","","","","","","1.06","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244241","23.3401","0.0004","11.5126","0.0002","8.9207","0.0001","90","","90","","90","","2397.04","0.06","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0434","0.0393","","","0.1055","0.1085","","","","","","1.075","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244242","23.3045","0.0002","11.3409","0.0001","8.8643","0.0001","90","","90","","90","","2342.78","0.04","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0346","","","0.0974","0.0993","","","","","","1.053","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244243","23.3229","0.0004","11.3803","0.00019","8.87309","0.00014","90","","90","","90","","2355.11","0.07","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1576","0.161","","","","","","1.07","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244244","23.3007","0.0002","11.4142","0.0001","8.8869","0.0001","90","","90","","90","","2363.55","0.04","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.045","0.0431","","","0.1216","0.1237","","","","","","1.061","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244245","23.5252","0.0004","11.2799","0.0002","8.9163","0.0002","90","","90","","90","","2366.05","0.08","148","","148","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.049","0.0458","","","0.1146","0.1173","","","","","","1.034","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244246","23.303","0.0002","11.3934","0.0001","8.8783","0.0001","90","","90","","90","","2357.19","0.04","183","","183","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.125","0.1272","","","","","","1.117","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244247","14.7213","0.0001","8.5748","0.0001","23.2614","0.0003","90","","94.011","0.001","90","","2929.15","0.05","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C84 H96 Br36 N12 -","12","3","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0467","0.0447","","","0.1453","0.147","","","","","","1.109","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7244248","22.4223","0.0012","7.1139","0.0004","25.519","0.0014","90","","101.57","0.002","90","","3987.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Br2 N4 O4 Zn -","- C48 H34 Br2 N4 O4 Zn -","- C192 H136 Br8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","1.34138","GaKα","","0.0456","0.0396","","","0.1117","0.1166","","","","","","1.045","","","","has coordinates","272112","2022-01-18","23:35:12",""
"7244249","22.545","0.002","7.1602","0.0008","24.832","0.002","90","","102.401","0.003","90","","3915","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 F2 N4 O4 Zn -","- C48 H34 F2 N4 O4 Zn -","- C192 H136 F8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.104","0.0559","","","0.1114","0.1279","","","","","","1.043","","","","has coordinates","272112","2022-01-18","23:35:13",""
"7244250","16.9814","0.0009","5.7781","0.0003","20.4176","0.0008","90","","118.519","0.003","90","","1760.29","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 N5 O6 Zn -","- C42 H28 N5 O6 Zn -","- C84 H56 N10 O12 Zn2 -","2","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.1017","0.0739","","","0.1931","0.2118","","","","","","1.041","","","","has coordinates,has disorder","272112","2022-01-18","23:35:13",""
"7244251","22.4956","0.0019","7.1451","0.0006","25.4267","0.0019","90","","101.767","0.004","90","","4001","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N4 O4 Zn -","- C48 H34 Cl2 N4 O4 Zn -","- C192 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.069","0.0448","","","0.1021","0.1119","","","","","","1.03","","","","has coordinates","272112","2022-01-18","23:35:13",""
"7244252","13.7446","0.0005","18.4533","0.0007","20.1499","0.0007","108.815","0.002","107.5","0.002","97.438","0.002","4466.2","0.3","293.02","","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1093","0.0783","","","0.1859","0.2063","","","","","","1.044","","","","has coordinates","272113","2022-01-18","23:35:57",""
"7244253","13.7311","0.0009","18.3631","0.0012","20.1893","0.0013","108.665","0.003","107.697","0.003","97.375","0.003","4448.8","0.5","293","2","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1123","0.0858","","","0.2019","0.2218","","","","","","1.013","","","","has coordinates,has disorder","272113","2022-01-18","23:35:58",""
"7244254","7.166","0.0003","21.8984","0.0007","13.6849","0.0004","90","","97.476","0.003","90","","2129.23","0.13","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H14 F4 N2 -","- C27 H14 F4 N2 -","- C108 H56 F16 N8 -","4","1","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0518","0.0376","","","0.1007","0.1076","","","","","","1.084","","","","has coordinates","272141","2022-01-19","23:33:26",""
"7244255","9.8311","0.0003","10.2683","0.0003","22.2426","0.0005","95.086","0.002","100.768","0.002","95.042","0.002","2184.59","0.11","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H14 F4 N2 -","- C27 H14 F4 N2 -","- C108 H56 F16 N8 -","4","2","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0714","0.0459","","","0.1229","0.1363","","","","","","1.063","","","","has coordinates","272141","2022-01-19","23:33:27",""
"7244256","7.6818","0.0004","9.1974","0.0003","15.4502","0.0005","76.568","0.003","78.786","0.004","73.558","0.004","1008.58","0.07","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C54 H36 N4 -","2","1","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0572","0.0409","","","0.1105","0.1201","","","","","","1.089","","","","has coordinates","272141","2022-01-19","23:33:27",""
"7244257","7.1397","0.0003","16.0756","0.0006","8.9196","0.0003","90","","104.983","0.001","90","","988.94","0.06","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-Tetrachloroterephthalonitrile Cocrystal","","- C12 H5 Cl2 N -","- C12 H5 Cl2 N -","- C48 H20 Cl8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.0744","0.0478","","","0.0847","0.0967","","","","","","1.135","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244258","7.1268","0.0011","8.6732","0.0014","15.297","0.002","90","","102.303","0.006","90","","923.8","0.2","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cocrystal","","- C12 H5 F2 N -","- C12 H5 F2 N -","- C48 H20 F8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.068","0.0444","","","0.1066","0.1325","","","","","","1.088","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244259","11.7324","0.0002","20.7132","0.0003","23.3587","0.0004","90","","95.466","0.002","90","","5650.72","0.16","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H62 Cu2 N8 O3 P2 -","- C64 H62 Cu2 N8 O3 P2 -","- C256 H248 Cu8 N32 O12 P8 -","4","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","1.54178","CuKα","","0.0832","0.0827","","","0.2124","0.2129","","","","","","1.059","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7244260","12.647","0.003","17.053","0.003","17.208","0.003","90","","131.69","0.03","90","","2771.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Cu2 I2 N6 P2 -","- C59 H48 Cu2 I2 N6 P2 -","- C118 H96 Cu4 I4 N12 P4 -","2","0.5","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.0802","0.0788","","","0.2015","0.2023","","","","","","1.153","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244261","11.5699","0.0005","12.5429","0.0003","13.6715","0.0004","88.298","0.002","73.809","0.003","87.479","0.003","1903.16","0.11","106.7","","106.7","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 B Cu F4 N4 P2 -","- C43 H36 B Cu F4 N4 P2 -","- C86 H72 B2 Cu2 F8 N8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.0339","0.029","","","0.0669","0.0698","","","","","","1.038","","","","has coordinates,has disorder","272169","2022-01-20","23:39:19",""
"7244262","11.74","0.0011","12.5965","0.0013","13.7194","0.0014","88.186","0.002","73.757","0.001","87.479","0.002","1945.6","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 O4.01 P2 -","- C43 H36 Cl Cu N4 O4 P2 -","- C86 H72 Cl2 Cu2 N8 O8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.087","0.0632","","","0.1504","0.1597","","","","","","1.051","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244263","24.6439","0.0003","10.20305","0.00013","31.8756","0.0004","90","","98.5114","0.0011","90","","7926.62","0.17","99.97","0.1","99.97","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 Cl Cu N4 O4 P2 -","- C45 H40 Cl Cu N4 O4 P2 -","- C360 H320 Cl8 Cu8 N32 O32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.0947","0.0958","","","","","","1.024","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244264","24.62","0.0002","10.2078","0.00009","31.7453","0.0003","90","","98.052","0.0009","90","","7899.45","0.12","99.99","0.1","99.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 B Cu F4 N4 P2 -","- C45 H40 B Cu F4 N4 P2 -","- C360 H320 B8 Cu8 F32 N32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1082","0.1088","","","","","","1.058","","","","has coordinates","272169","2022-01-20","23:39:20",""
"7244275","9.2809","0.0009","25.774","0.003","17.6172","0.0018","90","","92.261","0.001","90","","4210.9","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl9 N3 Sb2 -","- C30 H48 Cl9 N3 Sb2 -","- C120 H192 Cl36 N12 Sb8 -","4","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","x-ray","0.71073","MoKα","","0.0576","0.0485","","","0.1448","0.1524","","","","","","1.065","","","","has coordinates","272214","2022-01-24","23:34:41",""
"7244276","9.275","0.002","13.826","0.003","18.274","0.004","83.423","0.005","89.796","0.006","76.621","0.005","2264.1","0.9","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Cl9 F3 N3 Sb2 -","- C30 H45 Cl9 F3 N3 Sb2 -","- C60 H90 Cl18 F6 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1152","0.0898","","","0.2772","0.3029","","","","","","1.058","","","","has coordinates","272214","2022-01-24","23:34:51",""
"7244277","9.1074","0.001","14.2404","0.0016","18.54","0.002","84.512","0.009","89.419","0.009","77.186","0.008","2333.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 Cl12 N3 Sb2 -","- C30 H45 Cl12 N3 Sb2 -","- C60 H90 Cl24 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1601","0.0995","","","0.2704","0.3082","","","","","","1.039","","","","has coordinates","272214","2022-01-24","23:34:51",""
"7244278","9.3055","0.0003","14.9937","0.0006","18.0441","0.0007","84.989","0.003","86.538","0.003","74.258","0.002","2412.13","0.16","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 Cl9 N3 Sb2 -","- C30 H45 Br3 Cl9 N3 Sb2 -","- C60 H90 Br6 Cl18 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1368","0.1008","","","0.3214","0.3504","","","","","","1.334","","","","has coordinates","272214","2022-01-24","23:34:52",""
"7244279","22.3041","0.0009","28.6028","0.0014","29.0127","0.0013","90","","90","","90","","18508.9","1.4","292.4","0.3","292.4","0.3","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C408 H248 Eu16 N52 O112 -","- C408 H248 Eu16 N52 O112 -","- C816 H496 Eu32 N104 O224 -","2","0.0625","","Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng","A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems","CrystEngComm","2022","24","7","1358","1367","10.1039/D1CE01432C","","x-ray","1.54184","CuKα","","0.0478","0.0401","","","0.09","0.0946","","","","","","1.051","","","","has coordinates","273359","2022-03-04","22:09:53",""
"7244280","4.8141","0.0005","27.892","0.002","8.7246","0.0008","90","","104.63","0.003","90","","1133.51","0.18","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-bromo-resorcylic acid acetone solvate","","- C10 H11 Br O5 -","- C10 H11 Br O5 -","- C40 H44 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0783","0.0469","","","0.0753","0.0821","","","","","","1.073","","","","has coordinates","272229","2022-01-25","23:38:00",""
"7244281","10.8995","0.0004","17.2454","0.0006","13.5191","0.0005","90","","111.328","0.005","90","","2367.1","0.17","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-bromo-resorcylic acid DMF solvate","","- C10 H12 Br N O5 -","- C10 H12 Br N O5 -","- C80 H96 Br8 N8 O40 -","8","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0675","0.0431","","","0.0763","0.086","","","","","","1.028","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244282","10.7541","0.001","5.1393","0.0005","18.7589","0.0019","90","","91.411","0.003","90","","1036.46","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid ethanol solvate","","- C9 H11 Br O5 -","- C9 H11 Br O5 -","- C36 H44 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0631","0.0372","","","0.0513","0.0561","","","","","","1.046","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244283","17.681","0.0012","3.8913","0.0003","18.1986","0.0014","90","","90","","90","","1252.1","0.16","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-dibromo-resorcylic acid DMF solvate","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C40 H44 Br8 N4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0224","0.0212","","","0.0466","0.0468","","","","","","1.093","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244284","7.8467","0.0005","8.5738","0.0005","9.3115","0.0006","73.0626","0.0018","68.6204","0.0018","83.6321","0.0019","558.02","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","5-bromo-resorcylic acid DMSO solvate","","- C9 H11 Br O5 S -","- C9 H11 Br O5 S -","- C18 H22 Br2 O10 S2 -","2","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0244","0.02","","","0.0498","0.052","","","","","","1.0743","","","","has coordinates","272229","2022-01-25","23:38:03",""
"7244285","4.275","0.0004","10.1068","0.0009","12.6263","0.0012","108.66","0.003","98.455","0.003","97.857","0.003","501.32","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","5-bromo-resorcylic acid dioxane hemisolvate","","- C9 H9 Br O5 -","- C9 H9 Br O5 -","- C18 H18 Br2 O10 -","2","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0426","0.034","","","0.0776","0.0815","","","","","","1.0591","","","","has coordinates","272229","2022-01-25","23:38:05",""
"7244286","4.9186","0.0007","14.079","0.002","14.695","0.002","97.214","0.004","91.367","0.003","98.717","0.004","996.9","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","5-bromo-resorcylic acid 2-butanone hemisolvate","","- C9 H9 Br O4.5 -","- C9 H9 Br O4.5 -","- C36 H36 Br4 O18 -","4","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.1426","0.0627","","","0.074","0.0897","","","","","","1.0368","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244287","5.0921","0.0003","9.6935","0.0006","27.0491","0.0016","90","","91.041","0.002","90","","1334.93","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dibromo-resorcylic acid dioxane solvate","","- C11 H12 Br2 O6 -","- C11 H12 Br2 O6 -","- C44 H48 Br8 O24 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0347","0.025","","","0.0443","0.0462","","","","","","1.082","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244288","4.8148","0.0004","15.5203","0.0012","15.6723","0.0012","90","","96.448","0.002","90","","1163.74","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid THF solvate","","- C11 H13 Br O5 -","- C11 H13 Br O5 -","- C44 H52 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0801","0.0526","","","0.1279","0.1442","","","","","","0.9714","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244289","4.6177","0.0005","17.933","0.002","11.6033","0.0015","90","","99.898","0.004","90","","946.56","0.19","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Resorcylic acid acetic acid solvate","","- C9 H10 O6 -","- C9 H10 O6 -","- C36 H40 O24 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0683","0.0417","","","0.0886","0.0979","","","","","","1.063","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244290","8.1238","0.0004","24.7317","0.0015","7.2459","0.0004","90","","93.5848","0.0019","90","","1452.96","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dibromo-resorcylic acid pentanol solvate","","- C12 H16 Br2 O5 -","- C12 H16 Br2 O5 -","- C48 H64 Br8 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0361","0.0291","","","0.0553","0.0568","","","","","","1.189","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244291","4.8463","0.0003","14.8609","0.001","13.0678","0.0008","90","","95.0313","0.0019","90","","937.52","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid methanol solvate","","- C8 H9 Br O5 -","- C8 H9 Br O5 -","- C32 H36 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.059","0.0625","","","","","","1.054","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244292","12.32","0.004","24.91","0.007","7.009","0.002","90","","96.322","0.007","90","","2137.9","1.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","resorcylic acid DMF solvate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","Synchrotron","","0.1352","0.0928","","","0.214","0.2537","","","","","","0.843","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244293","22.7597","0.0016","6.6011","0.0005","16.7307","0.0012","90","","90","","90","","2513.6","0.3","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5-bromo-resorcylic acid dioxane solvate","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C88 H104 Br8 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0693","0.0434","","","0.088","0.097","","","","","","1.083","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244294","4.9275","0.0003","16.6356","0.0009","15.8268","0.0008","90","","97.1838","0.0017","90","","1287.17","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dibromo-resorcylic acid THF solvate","","- C11 H12 Br2 O5 -","- C11 H12 Br2 O5 -","- C44 H48 Br8 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0277","0.0211","","","0.047","0.0491","","","","","","1.093","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244295","13.2219","0.0017","6.4624","0.0008","11.2303","0.0014","90","","111.089","0.002","90","","895.3","0.2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","resorcylic acid dioxane hemisolvate","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","Synchrotron","","0.0873","0.0816","","","0.2186","0.2268","","","","","","1.04","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244296","17.2749","0.0009","3.9072","0.0002","35.441","0.002","90","","98.9201","0.0016","90","","2363.2","0.2","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3,5-dibromo-resorcylic acid acetic acid solvate","","- C9 H8 Br2 O6 -","- C9 H8 Br2 O6 -","- C72 H64 Br16 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0642","0.0465","","","0.1078","0.1167","","","","","","1.087","","","","has coordinates","272229","2022-01-25","23:38:07",""
"7244299","4.9401","0.001","15.61","0.003","18.58","0.004","90","","95.47","0.03","90","","1426.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 F6 O8 Sc -","- C12 H4 F6 O8 Sc -","- C48 H16 F24 O32 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","","0.9626","synchrotron","","0.0843","0.055","","","0.1194","0.1331","","","","","","0.935","","","","has coordinates","272261","2022-01-26","23:42:53",""
"7244300","4.79757","0.00017","10.087","0.0004","18.1374","0.0007","80.387","0.003","84.542","0.003","88.51","0.003","861.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F6 O11 Sc -","- C12 H10 F6 O11 Sc -","- C24 H20 F12 O22 Sc2 -","2","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0432","0.0335","","","0.0759","0.0797","","","","","","1.044","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244301","6.4029","0.0011","7.5702","0.0012","19.555","0.002","90","","90.416","0.012","90","","947.8","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 F4 O6 Sc -","- C8 H3 F4 O6 Sc -","- C32 H12 F16 O24 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0965","0.083","","","0.2311","0.2582","","","","","","1.126","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244302","11.7838","0.0003","47.9476","0.0014","9.0077","0.0002","90","","90","","90","","5089.4","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C16 H17 Cs F8 O16.5 Sc -","- C16 Cs F8 O16.5 Sc -","- C128 Cs8 F64 O132 Sc8 -","8","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0675","0.0642","","","0.1696","0.1743","","","","","","1.065","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244303","5.0987","0.001","15.675","0.003","20.124","0.004","67.45","0.03","86.97","0.03","89.01","0.03","1483.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F12 O16 Sc2 -","- C24 H8 F12 O16 Sc2 -","- C48 H16 F24 O32 Sc4 -","2","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","","0.9626","synchrotron","","0.1078","0.0822","","","0.1871","0.2188","","","","","","1.04","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244304","8.9823","0.0002","11.4355","0.0004","48.3424","0.0013","90","","90","","90","","4965.6","0.2","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H18 F8 K O17 Sc -","- C16 H18 F8 K O17 Sc -","- C128 H144 F64 K8 O136 Sc8 -","8","0.25","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.023","0.0221","","","0.0637","0.0642","","","","","","1.074","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244305","11.5295","0.0004","9.0506","0.0003","24.8337","0.0008","90","","103.339","0.004","90","","2521.46","0.15","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F8 N O17 Sc -","- C16 H22 F8 N O17 Sc -","- C64 H88 F32 N4 O68 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0424","0.0308","","","0.0791","0.0837","","","","","","1.037","","","","has coordinates","272261","2022-01-26","23:42:55",""
"7244311","12.0722","0.0005","8.0184","0.0004","16.9466","0.0007","90","","108.408","0.0017","90","","1556.49","0.12","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H22 N4 O10 U Zn -","- C32 H22 N4 O10 U Zn -","- C64 H44 N8 O20 U2 Zn2 -","2","0.5","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0174","0.0163","","","0.0401","0.0406","","","","","","1.063","","","","has coordinates","272324","2022-01-28","23:31:21",""
"7244312","7.3392","0.0004","8.7663","0.0004","11.8187","0.0005","109.042","0.0016","92.0632","0.0019","108.711","0.0017","672.34","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O7 U -","- C11 H13 N O7 U -","- C22 H26 N2 O14 U2 -","2","1","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0142","0.0135","","","0.0325","0.0328","","","","","","1.075","","","","has coordinates,has disorder","272324","2022-01-28","23:31:21",""
"7244313","30.9868","0.0018","13.0858","0.0007","16.4519","0.0009","90","","115.924","0.003","90","","5999.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H82 N2 O16 U2 -","- C43 H82 N2 O16 U2 -","- C172 H328 N8 O64 U8 -","4","0.5","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0414","0.0304","","","0.076","0.0811","","","","","","1.074","","","","has coordinates","272324","2022-01-28","23:31:22",""
"7244314","16.4803","0.0005","8.2141","0.0002","24.4218","0.0007","90","","98.7372","0.0012","90","","3267.63","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 N O7 U -","- C13 H21 N O7 U -","- C104 H168 N8 O56 U8 -","8","1","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0187","0.0181","","","0.0367","0.0369","","","","","","1.279","","","","has coordinates,has disorder","272324","2022-01-28","23:31:22",""
"7244318","15.006","0.0013","20.6811","0.0016","22.944","0.002","90","","99.494","0.004","90","","7022.9","1","292.52","","292.52","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N26 O32 -","- C55 H90 N26 O32 -","- C220 H360 N104 O128 -","4","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0884","0.0556","","","0.1337","0.1561","","","","","","1.061","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244319","12.304","0.002","12.4966","0.0018","13.125","0.002","64.88","0.006","89.809","0.006","79.159","0.006","1787.9","0.5","292.28","","292.28","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1041","","","","","","1.117","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244320","12.4914","0.0007","13.5836","0.0007","13.6906","0.0006","105.65","0.002","95.32","0.002","113.732","0.002","1993.62","0.18","292.26","","292.26","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0609","0.048","","","0.1267","0.1387","","","","","","1.059","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244321","23.0996","0.0013","18.4319","0.0011","33.9541","0.0019","90","","103.095","0.002","90","","14080.7","1.4","143.01","","143.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","1","0.25","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","1.54178","CuKα","","0.0488","0.0439","","","0.111","0.1159","","","","","","1.05","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244322","23.1168","0.0013","24.6194","0.0015","24.9596","0.001","90","","90","","90","","14205.1","1.3","302","","302","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C110 H122 Cl N52 O51 S2 U3 -","- C110 H122 Cl N52 O51 S2 U3 -","- C440 H488 Cl4 N208 O204 S8 U12 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.1428","0.0881","","","0.2335","0.2746","","","","","","0.998","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244323","18.3214","0.0007","17.8962","0.0007","22.4009","0.0009","90","","113.982","0.003","90","","6710.8","0.5","292.36","","292.36","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H62 Br0.27 N27.74 O29.21 U2 -","- C55 H62 Br0.265 N27.735 O29.205 U2 -","- C220 H248 Br1.06 N110.94 O116.82 U8 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0395","0.027","","","0.0578","0.0626","","","","","","1.0459","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244324","9.0932","0.0018","9.1069","0.0017","9.8502","0.0019","90","","108.847","0.004","90","","772","0.3","220","","220","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ag4 H6 N22 -","- Ag4 H6 N22 -","- Ag8 H12 N44 -","2","0.5","","Zhang, Xiaopeng; Hou, Tianyang; Lin, Qiuhan; Wang, Pengcheng; Li, Dongxue; Xu, Yuangang; Lu, Ming","Fascinating 3D energetic [Ag2(N5)2(EDA)]n: filling the ethylenediamine molecules into [Ag(N5)]n framework","CrystEngComm","2022","","","","","10.1039/D2CE00086E","","","0.71073","MoKα","","0.11","0.0415","","","0.0654","0.084","","","","","","0.971","","","","has coordinates","272360","2022-01-31","23:37:58",""
"7244349","22.4223","0.0012","7.1139","0.0004","25.519","0.0014","90","","101.57","0.002","90","","3987.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Br2 N4 O4 Zn -","- C48 H34 Br2 N4 O4 Zn -","- C192 H136 Br8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","1.34138","GaKα","","0.0456","0.0396","","","0.1117","0.1166","","","","","","1.045","","","","has coordinates","272810","2022-02-05","23:30:20",""
"7244350","22.545","0.002","7.1602","0.0008","24.832","0.002","90","","102.401","0.003","90","","3915","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 F2 N4 O4 Zn -","- C48 H34 F2 N4 O4 Zn -","- C192 H136 F8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.104","0.0559","","","0.1114","0.1279","","","","","","1.043","","","","has coordinates","272810","2022-02-05","23:30:30",""
"7244351","16.9814","0.0009","5.7781","0.0003","20.4176","0.0008","90","","118.519","0.003","90","","1760.29","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 N5 O6 Zn -","- C42 H28 N5 O6 Zn -","- C84 H56 N10 O12 Zn2 -","2","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.1017","0.0739","","","0.1931","0.2118","","","","","","1.041","","","","has coordinates,has disorder","272810","2022-02-05","23:30:31",""
"7244352","22.4956","0.0019","7.1451","0.0006","25.4267","0.0019","90","","101.767","0.004","90","","4001","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N4 O4 Zn -","- C48 H34 Cl2 N4 O4 Zn -","- C192 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.069","0.0448","","","0.1021","0.1119","","","","","","1.03","","","","has coordinates","272810","2022-02-05","23:30:34",""
"7244353","6.782","0.0013","9.3889","0.0017","17.885","0.003","94.958","0.013","96.022","0.013","92.421","0.013","1126.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H32 N10 -","- C60 H32 N10 -","- C60 H32 N10 -","1","0.5","","Wang, Luan; Yao, Xu; Zou, Xiaoyan; Li, Jingfang; Sun, Wenbin; Li, Guangming","Salen-type mononuclear dysprosium complex displays significant performance of single-molecule magnet","CrystEngComm","2022","","","","","10.1039/D1CE01684A","","","0.71073","MoKα","","0.1601","0.0688","","","0.1811","0.2286","","","","","","1.025","","","","has coordinates,has disorder","272811","2022-02-05","23:31:58",""
"7244354","14.1375","0.0005","14.1375","0.0005","12.863","0.0005","90","","90","","90","","2570.91","0.16","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Cl4 N4 -","- C28 H18 Cl4 N4 -","- C112 H72 Cl16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.119","0.0467","","","0.0897","0.1087","","","","","","1.008","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244355","14.2289","0.0006","14.2289","0.0006","13.1662","0.0008","90","","90","","90","","2665.6","0.2","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Br4 N4 -","- C28 H18 Br4 N4 -","- C112 H72 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0584","0.0332","","","0.0781","0.0871","","","","","","1.012","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244356","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244357","5.9329","0.0003","23.0822","0.0012","30.2786","0.0016","90","","90","","90","","4146.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 I4 N4 -","- C44 H38 I4 N4 -","- C176 H152 I16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0406","0.0274","","","0.0509","0.0578","","","","","","1.126","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244358","5.8699","0.0002","22.6993","0.0009","29.706","0.0014","90","","90","","90","","3958.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Br4 N4 -","- C44 H38 Br4 N4 -","- C176 H152 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0943","0.0514","","","0.0783","0.0878","","","","","","1.046","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244359","15.4025","0.0009","5.8486","0.0003","22.1487","0.0013","90","","109.329","0.002","90","","1882.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl4 N4 -","- C44 H38 Cl4 N4 -","- C88 H76 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0812","0.0456","","","0.0854","0.0956","","","","","","1.05","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244360","19.9543","0.001","19.7136","0.0009","13.2726","0.0006","90","","90","","90","","5221.1","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.33 H7.72 B0.64 N1.44 O24 Si11.37 -","- C4.326 H7.931 B0.64 N1.442 O24 Si11.36 -","- C34.608 H63.448 B5.12 N11.536 O192 Si90.88 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.012","2.142","","","","","","","has coordinates","272846","2022-02-07","23:41:12",""
"7244361","20.0445","0.0002","19.9204","0.0002","13.3984","0.0001","90","","90","","90","","5349.91","0.09","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","TPA_MFI","","","- C7.08 H15.34 B0.09 N0.59 O24 Si11.71 -","- C7.08 H15.635 B0.0875 N0.59 O24 Si11.7138 -","- C56.64 H125.08 B0.7 N4.72 O192 Si93.7104 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.039","3.512","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244362","19.9997","0.001","19.7849","0.001","13.3278","0.0006","90","","90","","90","","5273.7","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.91 H9.18 B0.59 N1.11 O24 Si11.44 -","- C5.064 H9.495 B0.59 N1.266 O24 Si11.41 -","- C40.512 H75.96 B4.72 N10.128 O192 Si91.28 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.016","1.929","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244363","19.9106","0.0011","19.6572","0.0011","13.2495","0.0007","90","","90","","90","","5185.7","0.5","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3.97 H7.5 B0.79 N1.67 O24 Si11.21 -","- C4.165 H7.497 B0.79 N1.666 O24 Si11.21 -","- C33.32 H59.976 B6.32 N13.328 O192 Si89.68 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.562","1.494","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244364","19.9892","0.0003","19.761","0.0003","13.3066","0.0003","90","","90","","90","","5256.19","0.16","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5.08 H10.56 B0.78 N1.37 O24 Si11.22 -","- C5.278 H10.558 B0.78 N1.564 O24 Si11.22 -","- C42.224 H84.464 B6.24 N12.512 O192 Si89.76 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.019","2.186","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244365","8.5208","0.0003","16.3781","0.0005","12.7517","0.0004","90","","104.438","0.003","90","","1723.36","0.1","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 N2 O6 Zn -","- C14 H14 F4 N2 O6 Zn -","- C56 H56 F16 N8 O24 Zn4 -","4","1","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.033","0.0287","","","0.0719","0.0738","","","","","","1.054","","","","has coordinates","272847","2022-02-07","23:42:55",""
"7244366","5.2395","0.0003","10.1581","0.0005","16.8889","0.0011","90","","95.568","0.005","90","","894.64","0.09","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F4 N0.5 O8 Zn -","- C14 H18 F4 N2 O8 Zn -","- C28 H36 F8 N4 O16 Zn2 -","2","0.5","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.0468","0.0359","","","0.0854","0.0899","","","","","","1.047","","","","has coordinates","272847","2022-02-07","23:42:58",""
"7244367","13.8857","0.0007","4.7775","0.0001","25.5982","0.0008","90","","100.241","0.004","90","","1671.1","0.11","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H2.88 F5.12 O8 Zn2 -","- C16 H2.884 F5.116 O8 Zn2 -","- C64 H11.536 F20.464 O32 Zn8 -","4","1","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.054","0.0453","","","0.1194","0.124","","","","","","1.101","","","","has coordinates,has disorder","272847","2022-02-07","23:42:58",""
"7244368","11.8442","0.0007","12.6156","0.0008","15.127","0.001","100.928","0.001","111.907","0.001","99.186","0.001","1992.1","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0983","0.0645","","","0.1658","0.1883","","","","","","1.027","","","","has coordinates","272848","2022-02-07","23:43:51",""
"7244369","11.4528","0.0017","11.5586","0.0016","14.2713","0.0019","77.001","0.003","89.888","0.003","78.24","0.003","1800.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0496","","","0.0952","0.1091","","","","","","0.95","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244370","12.4696","0.0014","13.3599","0.0014","20.487","0.002","86.843","0.002","73.656","0.002","85.335","0.002","3262.4","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Co N8 O44 Si W12 -","- C26 H26 Co N8 O44 Si W12 -","- C52 H52 Co2 N16 O88 Si2 W24 -","2","1","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","","0.71073","MoKα","","0.0714","0.0413","","","0.0797","0.0882","","","","","","0.969","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244373","15.8603","0.0015","3.7729","0.0004","22.243","0.002","90","","102.306","0.01","90","","1300.4","0.2","149.4","0.4","149.4","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[4]heliceneCOOH","","- C19 H12 O2 -","- C19 H12 O2 -","- C76 H48 O8 -","4","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.1104","0.0976","","","0.2849","0.2961","","","","","","1.104","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7244374","12.7324","0.0014","12.7345","0.0013","16.3097","0.0011","81.224","0.007","78.147","0.007","64.043","0.01","2321.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","exp_1587","","- C38 H27.62 Cl2.01 O4.31 S18 -","- C38 H27.624 Cl2.01 O4.317 S18.005 -","- C76 H55.248 Cl4.02 O8.634 S36.01 -","2","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.107","0.0861","","","0.2312","0.2488","","","","","","1.056","","","","has coordinates,has disorder","272893","2022-02-09","23:42:47",""
"7244375","12.5199","0.0009","21.0758","0.0015","19.3165","0.001","90","","102.089","0.006","90","","4984","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","([4]heliceneSO3)2(TMTTF)2","","- C28 H23 O3 S5 -","- C28 H23 O3 S5 -","- C224 H184 O24 S40 -","8","2","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.1446","0.0952","","","0.2419","0.2851","","","","","","1.066","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7244376","14.0945","0.0002","12.8981","0.0002","20.6753","0.0003","90","","90","","90","","3758.61","0.1","150","0.1","150","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TMTTF-([4]heliceneCOO)2","","- C48 H34 O4 S4 -","- C48 H34 O4 S4 -","- C192 H136 O16 S16 -","4","0.5","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0452","0.0424","","","0.1186","0.1217","","","","","","1.056","","","","has coordinates","272893","2022-02-09","23:42:48",""
"7244377","11.9706","0.0005","17.1872","0.0007","35.0341","0.0007","85.381","0.002","82.114","0.003","76.022","0.004","6919.9","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","(TMTSeF)5([4]heliceneSO3)5","","- C145 H124.04 N2.5 O18.26 S5.71 Se20 -","- C145 H124.041 N2.5 O18.2626 S5.712 Se20 -","- C290 H248.082 N5 O36.5252 S11.424 Se40 -","2","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0767","0.0634","","","0.1661","0.1782","","","","","","1.067","","","","has coordinates,has disorder","272893","2022-02-09","23:42:48",""
"7244394","7.2811","0.0008","8.34","0.0009","9.858","0.0011","68.729","0.005","68.636","0.005","70.01","0.005","504.11","0.1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H28 Cd Cu O18 -","- C8 H28 Cd Cu O18 -","- C8 H28 Cd Cu O18 -","1","0.5","","Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin","Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering","CrystEngComm","2022","","","","","10.1039/D2CE00034B","","","0.71073","MoKα","","0.0587","0.0458","","","0.0968","0.1037","","","","","","1.045","","","","has coordinates,has disorder","272937","2022-02-11","23:35:54",""
"7244395","19.073","0.0013","9.8051","0.0006","12.6998","0.0008","90","","94.61","0.002","90","","2367.3","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cd Cu2 N2 O14 -","- C20 H20 Cd Cu2 N2 O14 -","- C80 H80 Cd4 Cu8 N8 O56 -","4","0.5","","Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin","Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering","CrystEngComm","2022","","","","","10.1039/D2CE00034B","","","0.71073","MoKα","","0.0358","0.0289","","","0.0723","0.0775","","","","","","1.053","","","","has coordinates","272937","2022-02-11","23:35:54",""
"7244396","10.1975","0.0003","10.1011","0.0003","11.0443","0.0003","90","","98.516","0.001","90","","1125.09","0.06","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H18 N6 O4 Zn -","- C27 H18 N6 O4 Zn -","- C54 H36 N12 O8 Zn2 -","2","0.5","","Yao, Shu-Li; Xu, Hui; Zheng, Teng-Fei; Peng, Yan; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","Stable bifunctional ZnII-based sensor toward acetylacetone and l-histidine via a fluorescence red shift and turn-on effect","CrystEngComm","2022","","","","","10.1039/D2CE00026A","","","0.71073","MoKα","","0.0316","0.0262","","","0.0741","0.0789","","","","","","1.056","","","","has coordinates,has disorder","272938","2022-02-11","23:36:18",""
"7244397","13.0905","0.0003","7.4207","0.0002","25.4832","0.0006","90","","99.499","0.001","90","","2441.51","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0405","0.0291","","","0.0664","0.0715","","","","","","1.022","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244398","13.134","0.0006","14.9016","0.0006","14.5799","0.0007","90","","96.515","0.003","90","","2835.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","1.54178","CuKα","","0.0806","0.055","","","0.1289","0.1437","","","","","","1.042","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244399","13.0807","0.0007","7.4178","0.0003","25.4738","0.0013","90","","99.502","0.002","90","","2437.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0323","0.0263","","","0.0654","0.069","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244400","13.1387","0.001","14.9262","0.001","14.6051","0.0011","90","","96.62","0.002","90","","2845.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0934","0.0409","","","0.0811","0.1011","","","","","","1.009","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244401","13.0941","0.0008","7.422","0.0004","25.495","0.0017","90","","99.487","0.002","90","","2443.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0604","0.0341","","","0.0671","0.078","","","","","","1.037","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244402","13.118","0.003","14.899","0.002","14.576","0.003","90","","96.581","0.009","90","","2830","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1968","0.0635","","","0.0834","0.12","","","","","","0.992","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244403","10.4119","0.0004","22.7476","0.0009","13.0866","0.0005","90","","98.274","0.001","90","","3067.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0666","0.038","","","0.0809","0.0934","","","","","","1.039","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244404","13.0845","0.0008","7.4155","0.0004","25.4585","0.0016","90","","99.476","0.002","90","","2436.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0688","0.037","","","0.0707","0.0811","","","","","","1.007","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244405","15.8551","0.0003","15.1122","0.0003","23.9203","0.0005","90","","90","","90","","5731.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0652","0.0665","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244406","10.4162","0.0002","22.7272","0.0005","13.1011","0.0003","90","","98.322","0.001","90","","3068.78","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0615","0.037","","","0.0814","0.095","","","","","","1.033","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244407","15.8587","0.0003","15.1167","0.0003","23.9409","0.0005","90","","90","","90","","5739.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0366","0.0302","","","0.0751","0.0772","","","","","","1.032","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244408","10.4146","0.0007","22.7238","0.0013","13.0926","0.0009","90","","98.34","0.002","90","","3065.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.101","0.0431","","","0.0819","0.1028","","","","","","1.026","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244409","12.5724","0.0006","20.9451","0.001","14.521","0.0008","90","","115.589","0.002","90","","3448.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C36.71 H23.76 B Cl6.3 N6 O -","- C36.705 H23.755 B Cl6.295 N6 O -","- C146.82 H95.02 B4 Cl25.18 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1119","0.0506","","","0.1209","0.1607","","","","","","1.068","","","","has coordinates,has disorder","274972","2022-05-05","20:31:07",""
"7244410","15.891","0.0005","15.1094","0.0005","23.9482","0.0007","90","","90","","90","","5750","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0329","0.0301","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244411","10.4152","0.0003","22.7421","0.0007","13.1005","0.0004","90","","98.286","0.001","90","","3070.64","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0504","0.0327","","","0.0745","0.0829","","","","","","1.024","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244412","15.8915","0.0006","15.1172","0.0006","23.9514","0.0009","90","","90","","90","","5754","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.032","0.0284","","","0.0735","0.075","","","","","","1.04","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244413","8.4159","0.0011","12.6978","0.0017","13.8293","0.0017","105.309","0.004","107.316","0.004","101.13","0.004","1300.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H33 F N4 O5 -","- C25 H33 F N4 O5 -","- C50 H66 F2 N8 O10 -","2","1","","Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.","Thermal Methods Usage Features for Multicomponent Crystals Screening","CrystEngComm","2022","","","","","10.1039/D1CE01717A","","","0.71073","MoKα","","0.1033","0.066","","","0.1656","0.1846","","","","","","1.058","","","","has coordinates,has disorder","272954","2022-02-14","23:37:53",""
"7244414","9.3821","0.0004","10.9262","0.0005","13.5535","0.0006","80.9238","0.0017","79.5855","0.0017","73.4672","0.0018","1301.64","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 F N4 O5 -","- C27 H35 F N4 O5 -","- C54 H70 F2 N8 O10 -","2","1","","Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.","Thermal Methods Usage Features for Multicomponent Crystals Screening","CrystEngComm","2022","","","","","10.1039/D1CE01717A","","","0.71073","MoKα","","0.0743","0.0516","","","0.1239","0.1324","","","","","","1.04","","","","has coordinates","272954","2022-02-14","23:37:54",""
"7244418","4.2682","0.0002","18.1897","0.001","19.6942","0.0012","90","","90","","90","","1529","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","10,13-DiBromo-dibenzo[a,c]phenazine","10,13-DiBromo-dibenzo[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0956","0.0407","","","0.0693","0.0847","","","","","","0.924","","","","has coordinates","272991","2022-02-16","23:34:08",""
"7244419","23.9534","0.0017","13.3698","0.0009","7.2037","0.0005","90","","93.922","0.003","90","","2301.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine","3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine","","- C13 H5 F7 N -","- C13 H5 F7 N -","- C104 H40 F56 N8 -","8","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0958","0.0533","","","0.1309","0.1581","","","","","","1.02","","","","has coordinates","272991","2022-02-16","23:34:09",""
"7244420","16.0011","0.0017","5.2318","0.0005","27.377","0.003","90","","101.533","0.004","90","","2245.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ParaC3F7dibenzphenazine","10,13-bis(perfluoropropyl)-dibenzo[a, c] phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C104 H40 F56 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0702","0.0483","","","0.1112","0.1221","","","","","","1.135","","","","has coordinates","272991","2022-02-16","23:34:09",""
"7244421","6.728","0.003","9.172","0.005","10.765","0.006","106.416","0.014","91.946","0.013","91.011","0.01","636.6","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","4-cyanophenyl 4-(methylthio)benzoate","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C30 H22 N2 O4 S2 -","2","1","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","","0.71075","MoKα","","0.0551","0.0515","","","0.1247","0.1275","","","","","","1.202","","","","has coordinates","274971","2022-05-05","20:29:55",""
"7244422","22.6272","0.0012","5.4014","0.0003","7.6641","0.0004","90","","95.178","0.005","90","","932.87","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-phenylene bis(4-(methylthio)benzoate)","","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","1","0.25","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0344","0.0314","","","0.0817","0.0835","","","","","","1.065","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244423","9.3222","0.0003","13.9997","0.0005","13.3672","0.0005","90","","99.663","0.004","90","","1719.78","0.11","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","1SCB","","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","3","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0547","0.0439","","","0.1201","0.1276","","","","","","0.916","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244435","21.169","0.006","21.169","0.006","9.021","0.003","90","","90","","90","","4043","2","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C36 H32 N6 O8 Zn3 -","- C36 H32 N6 O8 Zn3 -","- C144 H128 N24 O32 Zn12 -","4","0.5","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.07","0.0658","","","0.1629","0.1657","","","","","","1.13","","","","has coordinates","273012","2022-02-17","23:36:58",""
"7244436","10.342","0.0017","10.0637","0.0016","12.093","0.002","90","","109.291","0.003","90","","1188","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 Zn -","- C12 H8 N6 Zn -","- C48 H32 N24 Zn4 -","4","1","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.0904","0.0425","","","0.0685","0.0846","","","","","","1.007","","","","has coordinates","273012","2022-02-17","23:36:59",""
"7244437","9.9844","0.0003","11.0973","0.0002","12.3341","0.0003","98.816","0.002","106.224","0.002","101.344","0.0019","1254.7","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0445","0.0278","","","0.059","0.0658","","","","","","1.0278","","","","has coordinates","274974","2022-05-05","20:32:27",""
"7244438","9.688","0.002","10.331","0.002","12.372","0.003","97.57","0.02","104.512","0.019","102.93","0.02","1145","0.5","298","","298","","992","","992","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1126","0.0994","","","0.2185","0.2264","","","","","","1.131","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244439","9.645","0.005","10.125","0.006","12.395","0.006","96.68","0.05","104.09","0.05","104.23","0.05","1117.8","1.1","298","","298","","1590","","1590","","","","","5","P -1","-P 1","2","","","","- C24 H8 Au2 Cu N8 -","- C24 H15 Au2 Cu N8 -","- C48 H30 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2352","0.1856","","","0.3703","0.4134","","","","","","1.169","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244440","7.8055","0.0007","18.3374","0.0016","22.0881","0.0017","90","","90","","90","","3161.5","0.5","342.9","0.7","342.9","0.7","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0592","0.038","","","0.0744","0.0818","","","","","","1.036","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244441","9.916","0.002","10.95","0.003","12.278","0.002","98.765","0.019","105.877","0.017","101.38","0.02","1226.6","0.5","298","","298","","100","","100","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1023","0.0874","","","0.1978","0.2056","","","","","","1.127","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244442","9.64","0.006","10.225","0.007","12.417","0.008","97.79","0.07","103.42","0.06","104.21","0.07","1129.8","1.4","298","","298","","1340","","1340","","","","","5","P -1","-P 1","2","","","","- C24 H17 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2059","0.1601","","","0.3583","0.3884","","","","","","1.033","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244443","20.838","0.0015","13.0922","0.0005","16.616","0.001","90","","103.178","0.007","90","","4413.7","0.5","298","","298","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Au2 Cu F6 N10 O S -","- C44 H30 Au2 Cu F6 N10 O S -","- C176 H120 Au8 Cu4 F24 N40 O4 S4 -","4","0.5","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.066","0.0376","","","0.0671","0.0769","","","","","","1.028","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244444","9.9689","0.0003","11.1085","0.0004","12.3564","0.0004","98.799","0.003","106.251","0.003","101.677","0.003","1254.1","0.08","343","5","343","5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0619","0.0364","","","0.0654","0.0733","","","","","","1.035","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244445","9.9382","0.0003","10.9997","0.0003","12.2677","0.0003","99.233","0.002","106.193","0.002","100.783","0.002","1232.57","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0514","0.0454","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244446","9.953","0.0003","11.0325","0.0003","12.3018","0.0004","99.041","0.002","106.26","0.003","100.966","0.002","1240.98","0.07","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0422","0.0356","","","0.0864","0.0904","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244447","7.7631","0.001","18.2826","0.0019","22.013","0.002","90","","90","","90","","3124.3","0.6","298","","298","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.056","0.0391","","","0.0814","0.0896","","","","","","1.0818","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244448","11.1876","0.0007","11.8612","0.0008","12.4954","0.0007","98.846","0.005","101.818","0.005","97.377","0.005","1581.6","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au2 Cu N8 O3 -","- C28 H30 Au2 Cu N8 O3 -","- C56 H60 Au4 Cu2 N16 O6 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0737","0.0427","","","0.0531","0.0624","","","","","","0.982","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244449","7.7326","0.0002","18.2993","0.0006","22.0376","0.0006","90","","90","","90","","3118.35","0.16","200","","200","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.047","0.038","","","0.0783","0.0814","","","","","","1.16","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244450","15.2706","0.001","14.29","0.0006","12.7118","0.001","90","","114.476","0.009","90","","2524.6","0.3","298","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Au2 Cu N8 O -","- C24 H18 Au2 Cu N8 O -","- C96 H72 Au8 Cu4 N32 O4 -","4","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0673","0.036","","","0.0551","0.0639","","","","","","0.994","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244451","11.7397","0.0011","12.2661","0.0014","13.3343","0.0017","87.894","0.01","75.657","0.009","64.038","0.01","1666.9","0.4","295","5","295","5","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Au2 Cu2 N11 -","- C32 H21 Au2 Cu2 N11 -","- C64 H42 Au4 Cu4 N22 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0992","0.0539","","","0.1329","0.1903","","","","","","1.025","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244455","6.782","0.0013","9.3889","0.0017","17.885","0.003","94.958","0.013","96.022","0.013","92.421","0.013","1126.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H32 N10 -","- C60 H32 N10 -","- C60 H32 N10 -","1","0.5","","Mandal, Arkalekha","Tuning p-type to n-type semiconductor nature by charge transfer cocrystallization: effect of transfer integral vs. reorganization energy","CrystEngComm","2022","","","","","10.1039/D2CE00006G","","","0.71073","MoKα","","0.1601","0.0688","","","0.1811","0.2286","","","","","","1.025","","","","has coordinates,has disorder","273071","2022-02-21","23:33:36",""
"7244456","10.5277","0.0004","30.222","0.001","26.182","0.001","90","","100.361","0.004","90","","8194.4","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 Cu3 N10 O39 P6 -","- C66 H46 Cu3 N10 O39 P6 -","- C264 H184 Cu12 N40 O156 P24 -","4","1","","Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla","Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3","CrystEngComm","2022","","","","","10.1039/D1CE01733K","","","0.71073","MoKα","","0.1188","0.0844","","","0.1999","0.2205","","","","","","1.098","","","","has coordinates","273072","2022-02-21","23:34:21",""
"7244457","14.6359","0.0005","14.6677","0.0005","15.1995","0.0008","63.897","0.004","64.765","0.004","65.067","0.004","2538.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cu2 N6 O26.5 P3 -","- C36 H34 Cu2 N6 O26.5 P3 -","- C72 H68 Cu4 N12 O53 P6 -","2","1","","Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla","Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3","CrystEngComm","2022","","","","","10.1039/D1CE01733K","","","1.54184","CuKα","","0.1113","0.0799","","","0.2054","0.2659","","","","","","1.035","","","","has coordinates","273072","2022-02-21","23:34:22",""
"7244458","7.2514","0.0002","7.4533","0.0003","12.9171","0.0004","78.29","0.002","81.497","0.003","71.575","0.002","645.92","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]tetrasilver(I)] dihydrate]]","","- C16 H20 Ag4 N12 O10 -","- C16 H20 Ag4 N12 O10 -","- C16 H20 Ag4 N12 O10 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.03","0.0232","","","0.053","0.0559","","","","","","1.04","","","","has coordinates","273073","2022-02-21","23:35:26",""
"7244459","11.8427","0.001","16.4538","0.001","9.059","0.0008","90","","92.905","0.007","90","","1762.9","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]-bis(Nitrato)]-aqua- tetrasilver(I)] aquadioxouranium(VI) Trihydrate]","","- C16 H26 Ag4 N14 O21 U -","- C16 H26 Ag4 N14 O21 U -","- C32 H52 Ag8 N28 O42 U2 -","2","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0291","0.0258","","","0.0658","0.0668","","","","","","0.988","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7244460","7.2551","0.0006","7.517","0.0007","15.0801","0.0013","97.061","0.01","98.041","0.01","109.612","0.009","754.26","0.13","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis[2-(1,2,4-triazol-4-yl)acetato)]-bis[2-(1,2,4-triazol-4-yl)acetic acid)]tetrasilver(I)] dinitrate dihydrate]]","","- C16 H22 Ag4 N14 O16 -","- C16 H22 Ag4 N14 O16 -","- C16 H22 Ag4 N14 O16 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0323","0.0238","","","0.0554","0.0569","","","","","","0.91","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7244461","9.5892","0.001","15.8614","0.0012","22.064","0.002","90","","94.822","0.008","90","","3344","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[decakis[2-(1,2,4-triazol-4-yl)acetato)]-hexasilver(I)] bis- [dioxouranium(VI)] Heptahydrate]","","- C40 H54 Ag6 N30 O31 U2 -","- C40 H40 Ag6 N30 O31 U2 -","- C80 H80 Ag12 N60 O62 U4 -","2","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.1012","0.0472","","","0.0741","0.0849","","","","","","0.863","","","","has coordinates","273073","2022-02-21","23:35:30",""
"7244468","22.0708","0.0002","22.5278","0.0002","27.0547","0.0003","100.228","0.001","112.333","0.001","90.301","0.001","12205.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C466 H323.76 Gd10 N12 O88 -","- C466 H323.736 Gd10 N12 O88 -","- C466 H323.736 Gd10 N12 O88 -","1","0.5","","Li, Yu-Guang; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Peng, Yan; Wen, He-Rui","Lanthanide-based metal-organic framework materials as bifunctional fluorescence sensors toward acetylacetone and aspartic acid","CrystEngComm","2022","","","","","10.1039/D2CE00174H","","","0.71073","MoKα","","0.085","0.0669","","","0.1937","0.2109","","","","","","1.131","","","","has coordinates,has disorder","273115","2022-02-22","23:36:25",""
"7244469","12.2051","0.0003","15.5772","0.0002","12.8295","0.0003","90","","116.732","0.003","90","","2178.46","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Li4 N2 O8 -","- C20 H22 Li4 N2 O8 -","- C80 H88 Li16 N8 O32 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","","1.54184","CuKα","","0.0498","0.0406","","","0.1119","0.1164","","","","","","1.05","","","","has coordinates","273116","2022-02-22","23:37:27",""
"7244470","10.9854","0.0004","15.4568","0.0005","12.8852","0.0005","90","","112.395","0.004","90","","2022.88","0.14","130","1","130","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Mg O10 -","- C18 H22 Mg O10 -","- C72 H88 Mg4 O40 -","4","0.5","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0497","0.04","","","0.1046","0.1118","","","","","","1.056","","","","has coordinates","273116","2022-02-22","23:37:28",""
"7244471","17.5458","0.0002","8.3002","0.0001","18.1756","0.0002","90","","102.014","0.001","90","","2589","0.05","256","1","256","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 Cu3 O12 -","- C22 H26 Cu3 O12 -","- C88 H104 Cu12 O48 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0468","0.0432","","","0.1191","0.1219","","","","","","1.069","","","","has coordinates,has disorder","273116","2022-02-22","23:37:28",""
"7244472","22.444","0.0002","8.0639","0.0001","27.9872","0.0003","90","","92.354","0.001","90","","5061.02","0.09","100","1","100","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H52 Cu6 O24 -","- C44 H52 Cu6 O24 -","- C176 H208 Cu24 O96 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0419","0.0394","","","0.1135","0.1156","","","","","","1.056","","","","has coordinates,has disorder","273116","2022-02-22","23:37:29",""
"7244473","15.9766","0.0002","16.842","0.0003","22.9222","0.0004","90","","90","","90","","6167.86","0.17","298","0.2","298","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N8 O6 Zn2 -","- C30 H28 N8 O6 Zn2 -","- C240 H224 N64 O48 Zn16 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.0847","0.0452","","","0.1168","0.1419","","","","","","1.031","","","","has coordinates","273117","2022-02-22","23:38:26",""
"7244474","32.3897","0.0008","10.8311","0.0004","18.4897","0.0007","90","","90.591","0.003","90","","6486.1","0.4","296","0.2","296","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 O6 S2 Zn -","- C32 H30 N4 O6 S2 Zn -","- C256 H240 N32 O48 S16 Zn8 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.1039","0.0514","","","0.1372","0.1734","","","","","","1.012","","","","has coordinates","273117","2022-02-22","23:38:27",""
"7244475","7.6004","0.0003","14.1706","0.0005","20.2294","0.0008","90","","90","","90","","2178.75","0.14","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cu F N O4 -","- C10 H10 Cu F N O4 -","- C80 H80 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0425","0.0323","","","0.1197","0.1302","","","","","","1.016","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244476","7.7611","0.0012","14.453","0.002","20.556","0.003","90","","90","","90","","2305.8","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cu F N O4 -","- C11 H12 Cu F N O4 -","- C88 H96 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0509","0.032","","","0.0776","0.0852","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244477","17.218","0.013","6.78","0.005","17.448","0.01","90","","110.89","0.02","90","","1903","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cu2 F2 N2 O9 -","- C18 H18 Cu2 F2 N2 O9 -","- C72 H72 Cu8 F8 N8 O36 -","4","0.5","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0753","0.0545","","","0.1571","0.1765","","","","","","1.073","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244478","6.6777","0.0004","8.5198","0.0005","33.3475","0.0018","90","","90","","90","","1897.23","0.19","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cu2 F2 N2 O7 -","- C18 H14 Cu2 F2 N2 O7 -","- C72 H56 Cu8 F8 N8 O28 -","4","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0478","0.0379","","","0.0776","0.081","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244479","8.2976","0.0004","14.3385","0.0005","12.503","0.0004","90","","92.169","0.004","90","","1486.48","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PF-AgNO3","","- C13 H12 Ag N5 O5 -","- C13 H12 Ag N5 O5 -","- C52 H48 Ag4 N20 O20 -","4","1","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Formation of the silver-flavin coordination polymers and their morphological studies","CrystEngComm","2022","","","","","10.1039/D2CE00071G","","x-ray","1.54184","CuKα","","0.0515","0.0441","","","0.1162","0.1242","","","","","","1.038","","","","has coordinates","273119","2022-02-22","23:40:32",""
"7244480","8.9525","0.0018","14.411","0.003","11.948","0.002","90","","93.5","0.03","90","","1538.6","0.5","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PF-AgBF4","","- C13 H12 Ag B F4 N4 O2 -","- C13 H12 Ag B F4 N4 O2 -","- C52 H48 Ag4 B4 F16 N16 O8 -","4","1","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Formation of the silver-flavin coordination polymers and their morphological studies","CrystEngComm","2022","","","","","10.1039/D2CE00071G","","","0.71073","MoKα","","0.0718","0.0506","","","0.1211","0.1359","","","","","","1.048","","","","has coordinates","273119","2022-02-22","23:40:33",""
"7244501","8.1444","0.0001","14.7371","0.0002","18.1313","0.0003","90","","90","","90","","2176.21","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0365","0.0329","","","0.0882","0.0918","","","","","","1.089","","","","has coordinates","274973","2022-05-05","20:32:04",""
"7244502","9.6737","0.0002","13.7426","0.0003","17.4902","0.0004","90","","90","","90","","2325.18","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O2 -","- C28 H33 Br O2 -","- C112 H132 Br4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0753","0.0781","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244503","7.4163","0.0002","24.3559","0.0006","26.0244","0.0006","90","","90","","90","","4700.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C224 H256 Br8 Cl8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0574","0.0387","","","0.067","0.0754","","","","","","1.056","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244504","9.6037","0.0002","14.6224","0.0004","16.3071","0.0004","90","","90","","90","","2289.99","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0453","0.0386","","","0.103","0.1084","","","","","","1.064","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244505","7.3425","0.0004","19.7162","0.0012","31.4052","0.0019","90","","90","","90","","4546.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C224 H256 Cl8 F8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0867","0.0637","","","0.154","0.1694","","","","","","1.027","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244506","7.5823","0.0002","12.3043","0.0004","24.7321","0.0008","90","","90","","90","","2307.38","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl2 O2 -","- C28 H32 Cl2 O2 -","- C112 H128 Cl8 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0471","0.0387","","","0.0891","0.0949","","","","","","1.043","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244507","16.9823","0.0003","19.7469","0.0004","7.0709","0.0001","90","","90","","90","","2371.21","0.07","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Br O2.5 -","- C28.0006 H32.0005 Br1.0001 O2.5 -","- C112.002 H128.002 Br4.0004 O10 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0631","0.0437","","","0.1099","0.121","","","","","","1.031","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244508","9.5984","0.0002","13.7895","0.0004","17.3969","0.0004","90","","90","","90","","2302.6","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0403","0.0352","","","0.0836","0.0877","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244509","7.5079","0.0002","10.4189","0.0003","30.1049","0.0009","90","","90","","90","","2354.93","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C112 H128 Br4 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0553","0.0386","","","0.0788","0.0873","","","","","","1.018","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244510","8.2415","0.0003","14.6409","0.0006","17.9646","0.0008","90","","90","","90","","2167.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0728","0.0498","","","0.1137","0.128","","","","","","1.036","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244511","8.1994","0.0002","9.5995","0.0002","29.1554","0.0007","90","","90","","90","","2294.83","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0945","0.1027","","","","","","1.068","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244512","7.357","0.0001","15.9989","0.0003","19.5774","0.0004","90","","90","","90","","2304.34","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0497","0.0402","","","0.0988","0.1061","","","","","","1.029","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244513","7.1368","0.0003","7.753","0.0003","12.3724","0.0005","90","","99.282","0.002","90","","675.62","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N3 O5 -","- C15 H11 N3 O5 -","- C30 H22 N6 O10 -","2","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0538","0.0431","","","0.1019","0.1088","","","","","","1.015","","","","has coordinates","273148","2022-02-24","23:38:28",""
"7244514","11.3941","0.0002","8.2165","0.0002","12.747","0.0002","90","","107.605","0.001","90","","1137.48","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N6 O10 -","- C24 H16 N6 O10 -","- C48 H32 N12 O20 -","2","0.5","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0345","0.0338","","","0.0839","0.0844","","","","","","1.005","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244515","6.9648","0.0002","8.0641","0.0002","30.4792","0.0007","90","","91.702","0.001","90","","1711.1","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O5 -","- C20 H15 N3 O5 -","- C80 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0407","0.0383","","","0.1088","0.1103","","","","","","1.049","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244516","20.2772","0.0005","6.5794","0.0002","17.0425","0.0004","90","","92.2871","0.0016","90","","2271.86","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O10 -","- C24 H16 N6 O10 -","- C96 H64 N24 O40 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0534","0.0375","","","0.0873","0.0949","","","","","","1.048","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244517","7.9898","0.0003","7.0018","0.0003","25.9225","0.0011","90","","91.907","0.002","90","","1449.38","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O5 -","- C17 H11 N3 O5 -","- C68 H44 N12 O20 -","4","2","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0319","0.0318","","","0.0885","0.0886","","","","","","1.001","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244518","7.6442","0.0003","8.6092","0.0003","27.0462","0.0009","90","","90","","90","","1779.92","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O5 -","- C23 H15 N3 O5 -","- C92 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0516","0.0416","","","0.0962","0.1023","","","","","","0.996","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244519","13.6099","0.0008","8.6026","0.0005","21.6767","0.0013","90","","90.44","0.003","90","","2537.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 O10 -","- C30 H18 N6 O10 -","- C120 H72 N24 O40 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0569","0.0546","","","0.1385","0.1398","","","","","","1.075","","","","has coordinates","273148","2022-02-24","23:38:43",""
"7244520","9.18755","0.000008","13.99638","0.000009","20.528931","0.000011","90","","90","","90","","2639.86","0.003","120","","120","","","","100","","","","","6","P 21 21 21","P 2ac 2ab","19","","sofosbuvir hydrate","","- C22 H31 F N3 O10 P -","- C22 H31 F N3 O10 P -","- C88 H124 F4 N12 O40 P4 -","4","1","","Chatziadi, Argyro; Skořepová, Eliška; Kohout, Martin; Ridvan, Luděk; Šoóš, Miroslav","Exploring the polymorphism of sofosbuvir via mechanochemistry: effect of milling jar geometry and material","CrystEngComm","2022","","","","","10.1039/D1CE01561C","","","1.54184","CuKα","","0.029","0.0287","","0.0747","0.0743","0.0747","","","","","","1.0189","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7244522","32.7746","0.0006","8.1052","0.0001","8.3503","0.0002","90","","95.503","0.002","90","","2207.99","0.07","173","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","0.5","","Wang, Yuyin; Su, Bin; Lin, Guoming; Lou, Huiru; Wang, Shouxin; Yue, Cheng-Yang; Lei, Xiaowu","Exploring the Ruddlesden–Popper layered organic–inorganic hybrid semiconducting perovskite for visible-blind ultraviolet photodetection","CrystEngComm","2022","24","12","2258","2263","10.1039/D1CE01431E","","","1.54184","CuKα","","0.0807","0.0796","","","0.1819","0.1855","","","","","","0.996","","","","has coordinates","274975","2022-05-05","20:32:35",""
"7244524","16.8521","0.0004","11.9552","0.0002","26.6656","0.0006","90","","108.107","0.003","90","","5106.3","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H19.67 N3 O4.33 S -","- C16 H19.6667 N3 O4.33333 S -","- C192 H236 N36 O52 S12 -","12","3","","Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun","Understanding the role of solvent in regulating the crystal habit","CrystEngComm","2022","24","12","2226","2240","10.1039/D1CE01486B","","","1.54184","CuKα","","0.0555","0.053","","","0.1478","0.1515","","","","","","1.035","","","","has coordinates","274976","2022-05-05","20:32:43",""
"7244525","8.9313","0.0018","11.627","0.002","15.232","0.003","110.92","0.03","103.93","0.03","80.74","0.03","1429.1","0.6","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd N8 O7 -","- C27 H24 Cd N8 O7 -","- C54 H48 Cd2 N16 O14 -","2","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","1.54184","CuKα","","0.0342","0.0336","","","0.0968","0.0975","","","","","","1.062","","","","has coordinates","273182","2022-02-28","23:31:31",""
"7244526","8.942","0.001","25.226","0.003","13.604","0.002","90","","105.54","0.04","90","","2956.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd N8 O6.33 -","- C28 H28 Cd N8 O6.329 -","- C112 H112 Cd4 N32 O25.316 -","4","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","0.71073","MoKα","","0.0389","0.0322","","","0.0671","0.07","","","","","","1.067","","","","has coordinates,has disorder","273182","2022-02-28","23:31:31",""
"7244527","9.0978","0.0011","11.7836","0.0014","15.1083","0.0019","112.627","0.006","97.244","0.006","99.811","0.006","1440.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd N8 O5.43 -","- C27 H24 Cd N8 O5.433 -","- C54 H48 Cd2 N16 O10.866 -","2","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","0.71073","MoKα","","0.0436","0.0307","","","0.0698","0.0747","","","","","","1.049","","","","has coordinates,has disorder","273182","2022-02-28","23:31:31",""
"7244530","12.407","0.01","16.723","0.013","17.478","0.014","90","","102.562","0.014","90","","3540","5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Co2(btbu)4(H2O)2(SiW12O40)]","","- C32 H52 Co2 N24 O42 Si W12 -","- C32 H52 Co2 N24 O42 Si W12 -","- C64 H104 Co4 N48 O84 Si2 W24 -","2","0.5","","Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min","N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts","CrystEngComm","2022","","","","","10.1039/D2CE00077F","","x-ray","0.71073","MoKα","K-L~3~","0.0829","0.0672","","","0.1322","0.1386","","","","","","1.168","","","","has coordinates,has disorder","273194","2022-03-01","23:36:45",""
"7244531","12.438","0.002","16.716","0.003","17.383","0.003","90","","102.122","0.003","90","","3533.6","1","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ni2(btbu)4(H2O)2(SiW12O40)]","","- C32 H54 N24 Ni2 O42 Si W12 -","- C32 H54 N24 Ni2 O42 Si W12 -","- C64 H108 N48 Ni4 O84 Si2 W24 -","2","0.5","","Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min","N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts","CrystEngComm","2022","","","","","10.1039/D2CE00077F","","x-ray","0.71073","MoKα","K-L~3~","0.0675","0.0563","","","0.1039","0.1072","","","","","","1.276","","","","has coordinates,has disorder","273194","2022-03-01","23:36:46",""
"7244532","15.1885","0.0002","7.6664","0.0001","22.5682","0.0003","90","","90.818","0.001","90","","2627.6","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O6 S -","- C27 H27.997 N4 O6 S -","- C108 H111.988 N16 O24 S4 -","4","1","","Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study","CrystEngComm","2022","","","","","10.1039/D1CE01740C","","x-ray","1.54184","CuKα","","0.0623","0.0544","","","0.1461","0.1524","","","","","","1.071","","","","has coordinates,has disorder","273195","2022-03-01","23:37:29",""
"7244533","7.6975","0.0002","12.7075","0.0003","14.7757","0.0004","65.633","0.003","83.024","0.002","77.802","0.002","1285.88","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O5 S -","- C27 H26 N4 O5 S -","- C54 H52 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study","CrystEngComm","2022","","","","","10.1039/D1CE01740C","","","1.54184","CuKα","","0.0659","0.063","","","0.1644","0.1677","","","","","","1.078","","","","has coordinates","273195","2022-03-01","23:37:30",""
"7244564","18.3974","0.0001","18.3974","0.0001","20.6604","0.0002","90","","90","","90","","6992.81","0.09","100","0.1","100","0.1","","","","","","","","5","P 42/m","-P 4c","84","p-sulfonatocalix[4]arene/pillar[4]pyridinum host-guest complex","","","- C52 H72 N4 O30 S4 -","- C52 H44 N4 O30 S4 -","- C208 H176 N16 O120 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.0993","0.0893","","","0.2615","0.2781","","","","","","1.026","","","","has coordinates,has disorder","273291","2022-03-03","23:41:40",""
"7244565","20.925","0.0007","21.5501","0.0005","28.2109","0.0006","102.793","0.002","91.143","0.002","116.562","0.003","10992.4","0.6","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","p-sulfonatocalix[4]arene/pillar[6]pyridinum host-guest complex","","","- C156 H246 N12 O105 S12 -","- C156 H131 N12 O104.901 S12 -","- C312 H262 N24 O209.802 S24 -","2","1","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.1794","0.1154","","","0.307","0.3759","","","","","","1.159","","","","has coordinates,has disorder","273291","2022-03-03","23:41:41",""
"7244567","44.809","0.004","10.8964","0.0009","25.255","0.002","90","","113.735","0.002","90","","11287.9","1.6","297.8","","297.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H42 N9 O16 Y2 -","- C43 H42 N9 O16 Y2 -","- C344 H336 N72 O128 Y16 -","8","1","","Hu, Qianlan; Xu, Tong; Gu, Jiaming; Zhang, Lirong; Liu, Yunling","A series of isostructural lanthanide metal-organic frameworks: effective fluorescence sensing for Fe3+, 2,4-DNP and 4-NP","CrystEngComm","2022","","","","","10.1039/D2CE00106C","","","0.71073","MoKα","","0.1466","0.0837","","","0.1975","0.2258","","","","","","1.069","","","","has coordinates","273440","2022-03-04","23:30:38",""
"7244568","7.9798","0.0008","15.7654","0.0016","3.5051","0.0004","90","","100.208","0.01","90","","433.98","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Sm -","- B3 Cd4 O10 Sm -","- B6 Cd8 O20 Sm2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0301","0.0296","","","0.0731","0.0735","","","","","","1.025","","","","has coordinates","273441","2022-03-04","23:31:19",""
"7244569","7.9549","0.0007","15.7709","0.0014","3.4813","0.0003","90","","100.227","0.009","90","","429.81","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Tb -","- B3 Cd4 O10 Tb -","- B6 Cd8 O20 Tb2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.025","0.0244","","","0.0601","0.0608","","","","","","1.091","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244570","7.9673","0.0009","15.7619","0.0017","3.4932","0.0004","90","","100.186","0.011","90","","431.76","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Eu O10 -","- B3 Cd4 Eu O10 -","- B6 Cd8 Eu2 O20 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0297","0.0293","","","0.0756","0.0758","","","","","","1.064","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244571","5.509","0.006","9.973","0.01","22.6","0.03","102.25","0.05","91.01","0.06","94.03","0.03","1210","2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","2-amino 4-methylpyridinium Glutaric acid (C11 H16 N2 O4)","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","2","","D, Joseph Daniel; P., Karuppasamy; Phan, Vuong Quoc; Kim, Hongjoo","Synthesis, crystal growth, structural and physico-chemical properties of an Organic single crystal (C11H16N2O4) for fast scintillation and NLO applications","CrystEngComm","2022","","","","","10.1039/D1CE01674A","","","0.71073","MoKα","","0.1409","0.0827","","","0.2","0.2272","","","","","","1.056","","","","has coordinates","273442","2022-03-04","23:31:50",""
"7244572","9.7596","0.0009","6.3491","0.0006","18.2303","0.0018","90","","102.17","0.003","90","","1104.25","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 O5 -","- C9 H11 N3 O5 -","- C36 H44 N12 O20 -","4","1","","Zhang, Jinyan; Liang, Zhihan; Yang, Fei; JI, Shaochang; Lan, Ping; Liao, Ye-Xin","Unique sandwich structure of pyrazinamide-methylmalonic acid cocrystal：ternary phase diagrams, characterization and property evaluation","CrystEngComm","2022","","","","","10.1039/D1CE01609A","","","0.71073","MoKα","","0.0974","0.0508","","","0.1047","0.1209","","","","","","1.016","","","","has coordinates","273464","2022-03-05","23:35:08",""
"7244573","7.6344","0.0003","6.3521","0.0003","28.5161","0.0012","90","","90.703","0.001","90","","1382.77","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 F N3 O6 -","- C12 H14 F N3 O6 -","- C48 H56 F4 N12 O24 -","4","1","","Bu, Fan-Zhi; Yu, Yueming; Shen, Yu-Li; Liu, Lu; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Cocrystallization-driven self-assembly with vanillic acid offers a new opportunity for surmounting fast and excessive absorption issues of antifungal drug 5-fluorocytosine: a combined theoretical and experimental research","CrystEngComm","2022","","","","","10.1039/D2CE00114D","","","0.71073","MoKα","","0.0606","0.0392","","","0.0944","0.1037","","","","","","1.069","","","","has coordinates","273511","2022-03-07","23:33:02",""
"7244575","16.071","0.003","8.368","0.0017","23.949","0.005","90","","102.49","0.03","90","","3144.5","1.1","220","2","220","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0639","0.0599","","","0.1753","0.1804","","","","","","1.116","","","","has coordinates","273537","2022-03-08","23:31:37",""
"7244576","10.306","0.002","18.839","0.004","8.912","0.0018","90","","112.03","0.03","90","","1604","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0537","0.0488","","","0.1437","0.1473","","","","","","1.103","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244577","6.739","0.0014","11.596","0.002","15.268","0.003","103.81","0.03","92.11","0.03","95.34","0.03","1151.5","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O3 S -","- C29 H22 N2 O3 S -","- C58 H44 N4 O6 S2 -","2","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0561","0.0447","","","0.1271","0.1328","","","","","","1.072","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244578","14.045","0.003","12.833","0.003","17.198","0.003","90","","90","","90","","3099.8","1.1","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0893","0.0507","","","0.1258","0.1366","","","","","","0.904","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244584","21.6663","0.0005","13.0707","0.0002","18.7948","0.0004","90","","102.54","0.002","90","","5195.6","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56.73 Fe2 N12 O2 S14 Sn6 -","- C18 H56.7347 Fe2 N12 O2 S14 Sn6 -","- C72 H226.939 Fe8 N48 O8 S56 Sn24 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","0.71073","MoKα","","0.0538","0.034","","","0.067","0.0721","","","","","","0.986","","","","has coordinates","273624","2022-03-10","23:46:03",""
"7244585","21.4593","0.0005","12.9922","0.0004","18.7194","0.0006","90","","102.264","0.003","90","","5099.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H58 N12 O2 S14 Sn6 Zn2 -","- C18 H58 N12 O2 S14 Sn6 Zn2 -","- C72 H232 N48 O8 S56 Sn24 Zn8 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0927","0.0953","","","","","","1.135","","","","has coordinates","273624","2022-03-10","23:46:04",""
"7244586","21.7391","0.0006","13.0228","0.0003","18.5826","0.0006","90","","103.74","0.003","90","","5110.3","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H58 Mn2 N12 O2 S14 Sn6 -","- C18 H58 Mn2 N12 O2 S14 Sn6 -","- C72 H232 Mn8 N48 O8 S56 Sn24 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","1.3405","GaKα","","0.047","0.0402","","","0.1014","0.1068","","","","","","1.061","","","","has coordinates","273624","2022-03-10","23:46:04",""
"7244587","3.897","0.003","12.568","0.006","9.03","0.004","90","","97.33","0.02","90","","438.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Br2 Cu N2 S -","- C6 H4 Br2 Cu N2 S -","- C12 H8 Br4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0624","0.0563","","","0.1552","0.1582","","","","","","1.257","","","","has coordinates","273625","2022-03-10","23:47:11",""
"7244588","3.677","0.0015","12.682","0.003","8.707","0.002","90","","98.51","0.02","90","","401.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 Se -","- C6 H4 Cl2 Cu N2 Se -","- C12 H8 Cl4 Cu2 N4 Se2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.087","0.057","","","0.1333","0.147","","","","","","1.052","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244589","3.713","0.003","12.553","0.006","8.767","0.004","90","","97.73","0.02","90","","404.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0648","0.0445","","","0.0985","0.1071","","","","","","1.077","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244590","8.487","0.001","9.587","0.0012","10.319","0.0008","94.514","0.01","109.679","0.009","102.793","0.011","760.13","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br2 Cu N4 Se2 -","- C12 H8 Br2 Cu N4 Se2 -","- C24 H16 Br4 Cu2 N8 Se4 -","2","1","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0735","0.052","","","0.1435","0.1529","","","","","","1.135","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7244597","16.6748","0.0018","14.1341","0.0016","28.845","0.003","90","","89.974","0.002","90","","6798.3","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{[Co(btc)(DMF)2] . 2/3 DMF}n","","- C51 H65 Co3 N8 O26 -","- C45 H51 Co3 N6 O24 -","- C180 H204 Co12 N24 O96 -","4","1","","Zacharias, Savannah C.; Ramon, Gaelle; Bourne, Susan A.","Solvatochromism and the effect of solvent on properties in a two-dimensional coordination polymer of cobalt-trimesate","CrystEngComm","2022","","","","","10.1039/D2CE00039C","","","0.71073","MoKα","","0.1191","0.0771","","","0.1941","0.2162","","","","","","1.05","","","","has coordinates","273707","2022-03-15","23:41:43",""
"7244615","15.0645","0.0006","15.3364","0.0006","17.7822","0.0007","90.076","0.001","113.74","0.001","105.522","0.001","3595.7","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","1","0.5","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.0584","0.0366","","","0.0731","0.0811","","","","","","0.979","","","","has coordinates","273745","2022-03-16","23:44:28",""
"7244616","7.7037","0.0003","12.7537","0.0005","13.9504","0.0006","86.173","0.001","85.566","0.001","83.167","0.001","1354.53","0.09","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 Co3 Mo6 N12 O34 Te -","- C28 H46 Co3 Mo6 N12 O34 Te -","- C28 H46 Co3 Mo6 N12 O34 Te -","1","0.5","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.0463","0.0321","","","0.0657","0.0717","","","","","","1.022","","","","has coordinates","273745","2022-03-16","23:44:29",""
"7244617","9.7346","0.0004","16.2688","0.0007","17.667","0.0008","90","","103.479","0.001","90","","2720.9","0.2","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Co Mo4 N6 O16 -","- C14 H18 Co Mo4 N6 O16 -","- C56 H72 Co4 Mo16 N24 O64 -","4","1","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0341","","","0.0692","0.0726","","","","","","1.096","","","","has coordinates","273745","2022-03-16","23:44:29",""
"7244618","8.0458","0.0001","10.7531","0.0002","11.7107","0.0002","69.684","0.001","87.113","0.001","76.21","0.001","922.18","0.03","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cl Cu2 O9 -","- C15 H7 Cl Cu2 O9 -","- C30 H14 Cl2 Cu4 O18 -","2","1","","Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng","Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism","CrystEngComm","2022","","","","","10.1039/D2CE00128D","","","0.71073","MoKα","","0.0334","0.0288","","","0.0813","0.0835","","","","","","1.098","","","","has coordinates","273746","2022-03-16","23:45:57",""
"7244619","10.4588","0.0004","11.5667","0.0003","24.5591","0.0013","86.973","0.003","89.332","0.004","80.888","0.003","2929.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 Br2 N6 O20 Zn4 -","- C60 H44 Br2 N6 O20 Zn4 -","- C120 H88 Br4 N12 O40 Zn8 -","2","1","","Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng","Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism","CrystEngComm","2022","","","","","10.1039/D2CE00128D","","","0.71073","MoKα","","0.1067","0.0709","","","0.1696","0.1969","","","","","","1.028","","","","has coordinates","273746","2022-03-16","23:45:58",""
"7244620","14.2599","0.0005","10.0971","0.0004","17.8998","0.0006","90","","103.077","0.001","90","","2510.44","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cd N3 O6 -","- C27 H25 Cd N3 O6 -","- C108 H100 Cd4 N12 O24 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0387","0.0262","","","0.053","0.0626","","","","","","1.101","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244621","11.8826","0.0007","13.1721","0.0009","13.519","0.001","78.902","0.003","88.255","0.003","83.346","0.002","2062.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Cd N7 O8 -","- C43 H45 Cd N7 O8 -","- C86 H90 Cd2 N14 O16 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0518","0.04","","","0.1002","0.1109","","","","","","1.055","","","","has coordinates,has disorder","273747","2022-03-16","23:47:00",""
"7244622","15.1674","0.0004","16.9696","0.0004","15.2451","0.0004","90","","98.59","0.001","90","","3879.84","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cd N4 O9 -","- C40 H46 Cd N4 O9 -","- C160 H184 Cd4 N16 O36 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0479","0.0336","","","0.0726","0.0828","","","","","","1.063","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244623","8.5444","0.0003","22.0061","0.0008","11.1259","0.0004","90","","98.905","0.001","90","","2066.77","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cd N4 O10 -","- C44 H46 Cd N4 O10 -","- C88 H92 Cd2 N8 O20 -","2","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0285","0.0232","","","0.0566","0.0614","","","","","","1.054","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244624","9.1064","0.0007","12.4497","0.001","14.1999","0.0012","101.718","0.003","106.897","0.003","90.206","0.003","1504.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Cd2 N8 O14 -","- C66 H64 Cd2 N8 O14 -","- C66 H64 Cd2 N8 O14 -","1","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0391","0.0315","","","0.075","0.0803","","","","","","1.06","","","","has coordinates,has disorder","273747","2022-03-16","23:47:00",""
"7244629","12.7882","0.001","13.2551","0.001","14.4372","0.0011","67.94","0.002","79.147","0.003","69.028","0.003","2113.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[Diaqua(/u-/k^2,1^-3,5-dinitrobenzoate)bis(/u^2^-/k^1,1^-3,5-dinitrobenzoate))cobalt(II)]cobalt(II) acetone tetrasolvate","","- C66 H74 Co3 N12 O48 -","- C66 H74 Co3 N12 O48 -","- C66 H74 Co3 N12 O48 -","1","0.5","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0988","0.0565","","","0.1224","0.1641","","","","","","1.136","","","","has coordinates","273758","2022-03-17","23:36:59",""
"7244630","10.3871","0.0009","5.2909","0.0004","22.6353","0.0017","90","","91.788","0.003","90","","1243.36","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diaquabis(3,5-dinitrobenzoato)-bis[(methanesulfinyl)methane]-cobalt(II)","","- C18 H22 Co N4 O16 S2 -","- C18 H22 Co N4 O16 S2 -","- C36 H44 Co2 N8 O32 S4 -","2","0.5","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0314","0.0251","","","0.0605","0.0659","","","","","","1.096","","","","has coordinates","273758","2022-03-17","23:37:00",""
"7244631","11.2634","0.0008","12.6777","0.0009","25.2927","0.0018","99.217","0.003","102.517","0.003","100.46","0.003","3391.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Cocrystal (1:1:3) bis[(acetonitrile-N)aqua-/u-/k^2,1^-3,5-dinitrobenzoatobis(/u-/k^1,1/'^-3,5-dinitrobenzoato))Cobalto(II)]Cobalto(II) : bis[bis(acetonitrile-N)-/u-/k^2,1^-3,5-dinitrobenzoatobis(/u^2^-/k^1,1/'^-3,5-dinitrobenzoato))Cobalto(II)]Cobalto(II) : acetonitrile","","- C54 H38 Co3 N18 O37 -","- C54 H38 Co3 N18 O37 -","- C108 H76 Co6 N36 O74 -","2","1","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0554","0.0356","","","0.0861","0.1016","","","","","","1.164","","","","has coordinates","273758","2022-03-17","23:37:00",""
"7244632","14.7092","0.0004","22.2121","0.0006","30.2861","0.0008","90","","90","","90","","9895.1","0.5","296.15","","296.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H66 Cu Mo24 N12 O90 P2 -","- C27 H66 Cu Mo24 N12 O90 P2 -","- C108 H264 Cu4 Mo96 N48 O360 P8 -","4","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0554","0.0366","","","0.0834","0.0938","","","","","","1.052","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244633","11.2067","0.001","11.2692","0.001","12.4783","0.0011","65.382","0.001","81.493","0.002","62.926","0.001","1274","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Cl Cu2 Mo4 N6 O14 -","- C12 H19 Cl Cu2 Mo4 N6 O14 -","- C24 H38 Cl2 Cu4 Mo8 N12 O28 -","2","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0311","0.0226","","","0.0479","0.0511","","","","","","1.02","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244634","12.4509","0.0017","16.733","0.002","19.224","0.003","98.809","0.002","102.976","0.002","93.813","0.002","3835.6","0.9","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 Co3 Mo26 N24 O92 -","- C54 H106 Co3 Mo26 N24 O92 -","- C54 H106 Co3 Mo26 N24 O92 -","1","0.5","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0705","0.0531","","","0.132","0.1477","","","","","","1.024","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244635","19.1589","0.0006","25.1934","0.0008","21.8895","0.0007","90","","94.505","0.001","90","","10532.9","0.6","296.15","","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H104 Cl2 Cu3 Mo48 N24 O166 P4 -","- C54 H104 Cl2 Cu3 Mo48 N24 O166 P4 -","- C108 H208 Cl4 Cu6 Mo96 N48 O332 P8 -","2","0.5","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.1216","0.0619","","","0.1126","0.1301","","","","","","1.047","","","","has coordinates","273759","2022-03-17","23:39:50",""
"7244636","11.8013","0.0002","6.8401","0.0002","14.1778","0.0003","90","","91.9732","0.0011","90","","1143.78","0.05","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0607","0.0433","","","0.1193","0.139","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:24",""
"7244637","15.0335","0.0012","6.9116","0.0005","13.0522","0.001","90","","110.715","0.009","90","","1268.52","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0797","0.0734","","","0.2059","0.2154","","","","","","1.073","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244638","5.0796","0.0003","10.1603","0.001","26.629","0.0019","90","","91.589","0.006","90","","1373.8","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0976","0.0717","","","0.1822","0.2009","","","","","","1.088","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244639","9.128","0.003","5.9193","0.0019","23.562","0.008","90","","92.81","0.004","90","","1271.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0685","0.0498","","","0.1371","0.1565","","","","","","1.061","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244640","11.2982","0.0002","15.8116","0.0003","7.97734","0.00018","90","","106.196","0.002","90","","1368.54","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.051","0.0481","","","0.1439","0.1466","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244641","26.6725","0.0002","19.708","0.0001","10.3729","0.0001","90","","90","","90","","5452.64","0.07","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C256 H272 N16 O32 -","16","2","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0333","0.0328","","","0.1063","0.1076","","","","","","0.998","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7244642","12.8712","0.0011","15.0167","0.0014","10.342","0.0011","90","","112.057","0.011","90","","1852.6","0.3","300.16","0.1","300.16","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0921","0.0673","","","0.2009","0.2317","","","","","","1.045","","","","has coordinates,has disorder","273760","2022-03-17","23:41:26",""
"7244643","15.00116","0.00017","7.02328","0.00008","12.03785","0.00013","90","","92.2525","0.001","90","","1267.3","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","1.54184","CuKα","","0.053","0.0509","","","0.152","0.1539","","","","","","1.072","","","","has coordinates","273760","2022-03-17","23:41:26",""
"7244649","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H34 Cd3 N6 O9 -","- C60 H34 Cd3 N6 O9 -","- C120 H68 Cd6 N12 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0863","0.0849","","","0.2285","0.2315","","","","","","1.111","","","","has coordinates","273818","2022-03-18","23:36:43",""
"7244650","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C60 H34 Cd2 N6 O9 Zn -","- C60 H34 Cd2 N6 O9 Zn -","- C120 H68 Cd4 N12 O18 Zn2 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0612","0.0608","","","0.1793","0.1799","","","","","","1.174","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244651","18.20082","0.00011","18.20082","0.00011","16.58899","0.00013","90","","90","","90","","5495.43","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C58 H32 Cd3 N8 O9 -","- C58 H32 Cd3 N8 O9 -","- C116 H64 Cd6 N16 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0842","0.0813","","","0.214","0.2185","","","","","","1.133","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244652","19.6298","0.0012","20.2011","0.0012","20.3398","0.0011","82.881","0.002","78.746","0.002","87.263","0.002","7847.2","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl12 Cu8 N8 O25 Sc4 -","- C48 H42 Cl12 Cu8 N8 O25 Sc4 -","- C96 H84 Cl24 Cu16 N16 O50 Sc8 -","2","1","","Ding, Min; Wang, Qian; Cheng, Hongtao; Bai, Junfeng","Synthesis, structure and highly selective C3H8/CH4 and C2H6/CH4 adsorption of a (4,8)-c ternary flu-metal–organic framework based upon both [Sc4O2(COO)8] and [Cu4OCl6] clusters","CrystEngComm","2022","","","","","10.1039/D2CE00133K","","","1.54178","CuKα","","0.0837","0.0695","","","0.2168","0.2312","","","","","","1.066","","","","has coordinates","273819","2022-03-18","23:37:19",""
"7244654","19.7085","0.0008","12.403","0.0006","32.0285","0.0014","90","","90","","90","","7829.2","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H48 Li N4 -","- C46 H48 Li N4 -","- C368 H384 Li8 N32 -","8","2","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","1.54184","CuKα","","0.1121","0.0883","","","0.1957","0.2116","","","","","","1.058","","","","has coordinates,has disorder","273879","2022-03-21","23:40:08",""
"7244655","9.6059","0.0003","17.2348","0.0006","23.4133","0.0008","90","","100.209","0.001","90","","3814.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 K N4 -","- C46 H48 K N4 -","- C184 H192 K4 N16 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0646","0.0447","","","0.0978","0.1068","","","","","","1.015","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244656","18.7293","0.0011","12.8174","0.0008","19.6609","0.0012","90","","103.238","0.002","90","","4594.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N6 Na -","- C56 H56 N6 Na -","- C224 H224 N24 Na4 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0707","0.0482","","","0.1012","0.1112","","","","","","1.044","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244657","9.9723","0.0009","12.5561","0.0012","5.5731","0.0006","90","","92.159","0.003","90","","697.33","0.12","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H4 Ag N5 O5 -","- C2 H4 Ag N5 O5 -","- C8 H16 Ag4 N20 O20 -","4","1","","Wang, Ting-wei; Zhang, Lu; Yi, Zhen-xin; Cao, Wen-li; Dong, Wen-shuai; Zhu, Shun-guan; Zhang, Jian-guo","New synthesis method for urazine and dissolution-crystallization of its Ag(i)-based laser energetic coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00182A","","","0.71073","MoKα","","0.0526","0.0523","","","0.1385","0.1389","","","","","","1.085","","","","has coordinates","273880","2022-03-21","23:40:43",""
"7244661","16.7204","0.0007","31.9354","0.0013","32.9423","0.0013","104.02","0.002","103.807","0.002","99.65","0.002","16091.7","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C280 H378 Dy42 O238 -","- C280 H378 Dy42 O238 -","- C280 H378 Dy42 O238 -","1","0.5","","Che, ZiWei; Chen, JiTun; Wang, TianTian; Yan, Han; Zhou, Teng-Da; Guo, Rui; Sun, Wenbin","Wheel-like Gd42 Polynuclear Complex with Significant Magnetocaloric Effect","CrystEngComm","2022","","","","","10.1039/D2CE00315E","","","0.71073","MoKα","","0.0755","0.0428","","","0.1008","0.1148","","","","","","1.03","","","","has coordinates","273939","2022-03-23","23:35:39",""
"7244662","16.9191","0.0007","32.0586","0.0013","33.1404","0.0013","104.141","0.002","103.764","0.002","99.321","0.002","16461.5","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C280 H378 Gd42 O238 -","- C280 H378 Gd42 O238 -","- C280 H378 Gd42 O238 -","1","0.5","","Che, ZiWei; Chen, JiTun; Wang, TianTian; Yan, Han; Zhou, Teng-Da; Guo, Rui; Sun, Wenbin","Wheel-like Gd42 Polynuclear Complex with Significant Magnetocaloric Effect","CrystEngComm","2022","","","","","10.1039/D2CE00315E","","","0.71073","MoKα","","0.0797","0.0437","","","0.1098","0.1307","","","","","","1.019","","","","has coordinates","273939","2022-03-23","23:35:39",""
"7244669","16.9777","0.001","4.0424","0.0002","18.0441","0.0011","90","","93.412","0.002","90","","1236.18","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IDIF","Iododiflunisal","","- C13 H7 F2 I O3 -","- C13 H7 F2 I O3 -","- C52 H28 F8 I4 O12 -","4","1","","Barbas, Rafael; Font-Bardia, Merce; Ballesteros, Alfredo; Arsequell, Gemma; Prohens, Rafel; Frontera, Antonio","Static discrete disorder in the crystal structure of Iododiflunisal: On the Importance of Hydrogen Bond, Halogen Bond and π-Stacking Interactions","CrystEngComm","2022","","","","","10.1039/D2CE00202G","","","0.71073","MoKα","","0.0394","0.0352","","","0.0908","0.0956","","","","","","1.08","","","","has coordinates,has disorder","274011","2022-03-25","23:39:45",""
"7244672","14.5014","0.0016","13.1843","0.0015","24.596","0.003","90","","99.374","0.004","90","","4639.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Br4 N4 O8 -","- C48 H48 Br4 N4 O8 -","- C192 H192 Br16 N16 O32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0505","0.0465","","","0.1389","0.1421","","","","","","1.069","","","","has coordinates,has disorder","274052","2022-03-28","22:32:44",""
"7244673","9.8012","0.0003","15.8268","0.0004","18.8202","0.0004","87.366","0.002","80.576","0.002","72.004","0.002","2739.09","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 Br9 N4 O8 -","- C55 H47 Br9 N4 O8 -","- C110 H94 Br18 N8 O16 -","2","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54184","CuKα","","0.0899","0.0859","","","0.2184","0.2232","","","","","","1.051","","","","has coordinates,has disorder","274052","2022-03-28","22:32:44",""
"7244674","10.3961","0.0012","11.9472","0.0013","14.8227","0.0016","101.231","0.003","104.003","0.003","93.302","0.003","1741.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Br8 O4 -","- C78 H80 Br8 O4 -","- C78 H80 Br8 O4 -","1","0.5","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0488","0.0474","","","0.121","0.122","","","","","","1.111","","","","has coordinates","274052","2022-03-28","22:32:45",""
"7244675","24.0138","0.001","7.958","0.0003","27.4313","0.0012","90","","98.369","0.002","90","","5186.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H49.5 Cl4.5 N4 O10 -","- C57.5 H49.5 Cl4.5 N4 O10 -","- C230 H198 Cl18 N16 O40 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.1018","0.064","","","0.1633","0.1796","","","","","","1.035","","","","has coordinates,has disorder","274052","2022-03-28","22:32:45",""
"7244676","18.087","0.003","16.027","0.003","16.477","0.003","90","","106.124","0.004","90","","4588.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56.67 I N4 O8.33 -","- C51 H56.67 I N4 O8.33 -","- C204 H226.68 I4 N16 O33.32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.1121","0.107","","","0.4024","0.4062","","","","","","2.153","","","","has coordinates,has disorder","274052","2022-03-28","22:32:45",""
"7244677","18.087","0.003","16.027","0.003","16.477","0.003","90","","106.124","0.004","90","","4588.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 I N4 O8 -","- C45 H43 I N4 O8 -","- C180 H172 I4 N16 O32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0489","0.0448","","","0.1505","0.1586","","","","","","1.095","","","","has coordinates","274052","2022-03-28","22:32:45",""
"7244679","9.762","0.002","13.32","0.003","23.532","0.006","90","","90","","90","","3059.9","1.2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N24 O26 -","- C13 H14 N24 O26 -","- C52 H56 N96 O104 -","4","0.5","","Sun, Shanhu; Wang, Zhiqiang; Zhang, Haobin; Song, Xiaomin; Jin, Dengyu; Xu, Jinjiang; Sun, Jie","Host-guest Energetic Materials: a Promising Strategy of Incorporating Small Insensitive Molecule into the Lattice Cavities of 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurtzitane to Enhance the Safety on the Premise of Maintaining the Excellent Energy Density","CrystEngComm","2022","","","","","10.1039/D2CE00199C","","","0.71073","MoKα","","0.0695","0.0518","","","0.1236","0.1346","","","","","","1.037","","","","has coordinates,has disorder","274139","2022-03-30","22:40:30",""
"7244680","7.375","0.002","12.029","0.003","13.589","0.003","108.408","0.009","94.844","0.009","93.191","0.011","1135.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N6 O7 S -","- C20 H22 N6 O7 S -","- C40 H44 N12 O14 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0641","0.0468","","","0.1263","0.1378","","","","","","1.038","","","","has coordinates","274140","2022-03-30","22:42:09",""
"7244681","5.4023","0.0008","23.533","0.004","18.032","0.003","90","","93.805","0.006","90","","2287.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O7 S -","- C20 H22 N6 O7 S -","- C80 H88 N24 O28 S4 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0985","0.0689","","","0.1737","0.1931","","","","","","1.111","","","","has coordinates","274140","2022-03-30","22:42:12",""
"7244682","9.2845","0.0006","10.2816","0.0005","21.5213","0.0013","95.205","0.005","90.068","0.005","103.897","0.005","1985.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 I N6 O5 S2 -","- C32 H49 I N6 O5 S2 -","- C64 H98 I2 N12 O10 S4 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1117","0.0624","","","0.1328","0.1639","","","","","","1.093","","","","has coordinates","274140","2022-03-30","22:42:12",""
"7244683","25.35","0.05","5.0173","0.0008","17.801","0.008","90","","105.4","0.11","90","","2183","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 O6 S3 -","- C18 H19 N5 O6 S3 -","- C72 H76 N20 O24 S12 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1484","0.0721","","","0.1516","0.2107","","","","","","1.015","","","","has coordinates","274140","2022-03-30","22:42:13",""
"7244684","6.62","0.004","17.561","0.011","19.335","0.011","90","","98.96","0.02","90","","2220","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N6 O6 S2 -","- C19 H20 N6 O6 S2 -","- C76 H80 N24 O24 S8 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0939","0.049","","","0.1348","0.1764","","","","","","1.081","","","","has coordinates","274140","2022-03-30","22:42:13",""
"7244685","8.756","0.002","11.006","0.003","19.951","0.005","76.116","0.008","84.901","0.009","69.801","0.008","1751.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 N6 O6 S -","- C33 H50 N6 O6 S -","- C66 H100 N12 O12 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0742","0.0586","","","0.1509","0.1687","","","","","","1.068","","","","has coordinates","274140","2022-03-30","22:42:14",""
"7244686","9.4076","0.0013","9.9862","0.0012","24.181","0.003","101.513","0.004","90.566","0.005","104.734","0.004","2148.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 I N6 O6 S -","- C37 H59 I N6 O6 S -","- C74 H118 I2 N12 O12 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1033","0.0528","","","0.1446","0.1807","","","","","","1.026","","","","has coordinates","274140","2022-03-30","22:42:14",""
"7244687","12.3974","0.0009","17.3988","0.0015","23.2772","0.0017","68.343","0.003","81.611","0.003","89.765","0.003","4609.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 F8 N11 O5 S2 -","- C45 H37 F8 N11 O5 S2 -","- C180 H148 F32 N44 O20 S8 -","4","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1575","0.1035","","","0.2444","0.2736","","","","","","1.058","","","","has coordinates,has disorder","274178","2022-03-31","22:33:17",""
"7244688","41.7833","0.0006","13.6224","0.0002","17.4061","0.0003","90","","110.909","0.0007","90","","9254.9","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Apalutamide-1,4-dioxane-2:1","","","- C46 H38 F8 N10 O6 S2 -","- C46 H38 F8 N10 O6 S2 -","- C368 H304 F64 N80 O48 S16 -","8","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1245","0.0832","","","0.1806","0.201","","","","","","1.063","","","","has coordinates,has disorder","274178","2022-03-31","22:33:18",""
"7244689","19.3859","0.0008","16.1915","0.0003","7.3833","0.0001","90","","90.171","0.005","90","","2317.51","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-2-butanol-1:0.5","","","- C46 H40 F8 N10 O5 S2 -","- C46 H40 F8 N10 O5 S2 -","- C92 H80 F16 N20 O10 S4 -","2","0.5","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0737","0.0589","","","0.1313","0.1357","","","","","","1.163","","","","has coordinates,has disorder","274178","2022-03-31","22:33:18",""
"7244690","16.568","0.01","37.54","0.02","7.364","0.005","90","","90","","90","","4580","5","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Apalutamide-Ethanol-2:1","","","- C44 H36 F8 N10 O5 S2 -","- C44 H36 F8 N10 O5 S2 -","- C176 H144 F32 N40 O20 S8 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1207","0.0704","","","0.1782","0.2143","","","","","","1.034","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244691","8.9856","0.0004","15.2222","0.0006","16.9653","0.0007","90","","90","","90","","2320.52","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Apalutamide-Acetonitrile-1:1","","","- C23 H18 F4 N6 O2 S -","- C23 H18 F4 N6 O2 S -","- C92 H72 F16 N24 O8 S4 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0294","0.0269","","","0.0695","0.0707","","","","","","1.051","","","","has coordinates","274178","2022-03-31","22:33:19",""
"7244692","25.2912","0.0007","12.4809","0.0004","17.6369","0.0005","90","","108.109","0.001","90","","5291.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-Cyclohexanone-1:1","","","- C27 H25 F4 N5 O3 S -","- C27 H25 F4 N5 O3 S -","- C216 H200 F32 N40 O24 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1513","0.0767","","","0.135","0.1567","","","","","","1.041","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244693","43.7534","0.0014","12.7915","0.0005","17.9103","0.0006","90","","113.481","0.001","90","","9193.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H36 F8 N10 O5 S2 -","- C45.001 H36 F8 N10.001 O5 S2 -","- C360.008 H288 F64 N80.008 O40 S16 -","8","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1004","0.0631","","","0.1248","0.1388","","","","","","1.043","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244694","22.5794","0.0015","13.3362","0.0007","18.2192","0.0011","90","","90.944","0.002","90","","5485.5","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-dimethylacetamide-1:1","","","- C25 H24 F4 N6 O3 S -","- C25 H24 F4 N6 O3 S -","- C200 H192 F32 N48 O24 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1064","0.0624","","","0.1424","0.1671","","","","","","1.044","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244695","17.3059","0.0019","12.222","0.0013","47.409","0.005","90","","90","","90","","10027.6","1.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H23 F4 N6 O3 S -","- C24 H23 F4 N6 O3 S -","- C384 H368 F64 N96 O48 S16 -","16","4","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1025","0.0698","","","0.1421","0.1567","","","","","","1.06","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244696","12.3588","0.0011","17.3486","0.0015","23.177","0.002","68.252","0.005","81.67","0.005","89.735","0.005","4560.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Apalutamide-Dimethylformamaide-2:1","","","- C45 H37 F8 N11 O5 S2 -","- C45 H37 F8 N11 O5 S2 -","- C180 H148 F32 N44 O20 S8 -","4","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.117","0.0816","","","0.1779","0.1932","","","","","","1.117","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244697","17.7813","0.0006","13.014","0.0004","18.4676","0.0006","90","","100.884","0.0011","90","","4196.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F4 N5 O2 S -","- C21 H15 F4 N5 O2 S -","- C168 H120 F32 N40 O16 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0552","0.0432","","","0.1013","0.1078","","","","","","1.031","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244698","12.175","0.0003","15.5498","0.0005","12.6033","0.0003","90","","105.706","0.0008","90","","2296.95","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H46 Co2 N8 O13 S -","- C45 H46 Co2 N8 O13 S -","- C90 H92 Co4 N16 O26 S2 -","2","1","","Zhao, Yanzhu; Zhu, Peizhi; Pan, Lingwei; Xie, Yiqing; Ng, Seik Weng; Zhang, Kou-Lin","Preparation and Characterization of a Newly Constructed Multifunctional Co(II)-organic Framework: Proton Conduction and Adsorption of Congo Red in Aqueous Medium","CrystEngComm","2022","","","","","10.1039/D2CE00330A","","","0.71073","MoKα","","0.1134","0.0517","","","0.0972","0.1177","","","","","","0.994","","","","has coordinates,has disorder","274179","2022-03-31","22:34:32",""
"7244699","6.88","0.0014","11.9","0.002","15.69","0.003","109.77","0.03","100.53","0.03","96.7","0.03","1166.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N2 O20 -","- C38 H42 Cl2 N2 O20 -","- C38 H42 Cl2 N2 O20 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.044","0.0435","","","0.1279","0.1283","","","","","","1.058","","","","has coordinates","274181","2022-03-31","22:37:48",""
"7244700","42.6882","0.0013","14.5716","0.0006","26.9781","0.0012","90","","90","","90","","16781.3","1.1","122.99","0.11","122.99","0.11","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C44 H44.73 Cu2.4 N4 O16.8 -","- C44 H44.5667 Cu2.4 N4 O16.8 -","- C528 H534.8 Cu28.8 N48 O201.6 -","12","1.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.2532","0.1797","","","0.4363","0.4904","","","","","","1.488","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7244701","9.43","0.0019","9.79","0.002","21.43","0.004","83.42","0.03","80.88","0.03","78.36","0.03","1906.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cl N2 O19 -","- C39 H41 Cl N2 O19 -","- C78 H82 Cl2 N4 O38 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0726","0.0628","","","0.1855","0.2104","","","","","","1.09","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244702","26.67","0.004","26.67","0.004","25.93","0.005","90","","90","","90","","18444","5","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C38 H32 Cu2 N2 O18 -","- C38 H32 Cu2 N2 O18 -","- C304 H256 Cu16 N16 O144 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0728","0.0367","","","0.0953","0.1089","","","","","","0.907","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7244703","10.17","0.002","11.05","0.002","14.24","0.003","95.2","0.03","106.95","0.03","96.48","0.03","1508.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cd2 N2 O22 -","- C42 H46 Cd2 N2 O22 -","- C42 H46 Cd2 N2 O22 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0749","0.0739","","","0.1993","0.2002","","","","","","1.122","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244704","8.683","0.0017","22.176","0.004","11.103","0.002","90","","108.05","0.03","90","","2032.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 N2 O16 -","- C42 H40 Cl2 N2 O16 -","- C84 H80 Cl4 N4 O32 -","2","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0475","0.0432","","","0.116","0.1192","","","","","","1.063","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244705","16.868","0.003","25.914","0.005","28.838","0.006","90","","90","","90","","12606","4","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C40 H37 Cd2.5 N3 O17.5 -","- C40 H37 Cd2.5 N3 O17.5 -","- C320 H296 Cd20 N24 O140 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0329","0.0328","","","0.0924","0.0925","","","","","","1.031","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244706","29.643","0.006","18.639","0.004","27.125","0.005","90","","90","","90","","14987","5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C45 H40 Cu3 N3 O22.25 -","- C45 H40 Cu3 N3 O22.25 -","- C360 H320 Cu24 N24 O178 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0961","0.0746","","","0.2286","0.2501","","","","","","1.044","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244707","20.7302","0.0003","30.3248","0.0003","17.7067","0.0002","90","","90","","90","","11131.1","0.2","123","2","123","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C340 H388 Cd24 Cl8 N28 O224 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","","","0.0804","0.0767","","","0.2163","0.2203","","","","","","1.047","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244708","8.722","0.0017","12.251","0.003","13.899","0.003","87.58","0.03","86.25","0.03","77.23","0.03","1444.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N4 O21 Zn2 -","- C48 H52 N4 O21 Zn2 -","- C48 H52 N4 O21 Zn2 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0613","0.0596","","","0.1906","0.1939","","","","","","1.125","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244709","12.275","0.003","18.185","0.004","21.541","0.004","101.01","0.03","100.5","0.03","93.31","0.03","4619.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu3 N2 O19 -","- C42 H36 Cu3 N2 O19 -","- C84 H72 Cu6 N4 O38 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.1241","0.1042","","","0.3013","0.3169","","","","","","1.257","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244710","14.6827","0.0009","18.5378","0.0005","21.3961","0.0005","73.768","0.002","71.193","0.004","87.559","0.004","5285.8","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48.5 Cu4 N3.5 O21 -","- C45 H48.5 Cu4 N3.5 O21 -","- C90 H97 Cu8 N7 O42 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.1528","0.1365","","","0.3768","0.3896","","","","","","1.482","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244711","7.03","0.0014","10.433","0.002","16.113","0.003","103.76","0.03","97.8","0.03","107.12","0.03","1069.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cl2 N2 O19 -","- C42 H46 Cl2 N2 O19 -","- C42 H46 Cl2 N2 O19 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0771","0.0529","","","0.1297","0.1436","","","","","","1.043","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244712","20.934","0.004","31.398","0.006","13.458","0.003","90","","90","","90","","8846","3","100","2","100","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C160 H118 Cl2 Cu16 N10 O80 -","4","0.25","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0567","0.0529","","","0.1812","0.1868","","","","","","1.136","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244713","25.731","0.005","26.455","0.005","26.552","0.005","90","","113.93","0.03","90","","16521","7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H25 Cu3.5 N2 O19 -","- C38 H25 Cu3.5 N2 O19 -","- C304 H200 Cu28 N16 O152 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.1713","0.1391","","","0.3889","0.4252","","","","","","1.427","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244716","9.1792","0.0003","9.1792","0.0003","21.9776","0.001","90","","90","","120","","1603.69","0.1","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H36 Bi2 Cl11 N3 -","- C12 H36 Bi2 Cl11.0004 N3 -","- C24 H72 Bi4 Cl22.0008 N6 -","2","0.0833333","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Kolesov, Boris A.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","Dichlorine-containing chlorobismuthate(III) supramolecular hybrid: structure and experimental studies of stability","CrystEngComm","2022","","","","","10.1039/D2CE00210H","","","0.71073","MoKα","","0.0612","0.0609","","","0.1409","0.1411","","","","","","1.449","","","","has coordinates,has disorder","274362","2022-04-05","22:50:29",""
"7244718","6.4839","0.0005","10.5895","0.0008","20.8436","0.0015","90","","90","","90","","1431.15","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N7 O10 -","- C9 H5 N7 O10 -","- C36 H20 N28 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0301","0.0275","","","0.0703","0.0722","","","","","","1.035","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244719","6.7852","0.0017","11.054","0.003","20.043","0.005","90","","90","","90","","1503.3","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N8 O10 -","- C9 H6 N8 O10 -","- C36 H24 N32 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0838","0.0399","","","0.0921","0.1144","","","","","","1.037","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244720","9.2333","0.0005","10.1635","0.0008","14.3186","0.0005","79.464","0.005","74.926","0.004","64.319","0.006","1165.49","0.13","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Cl4 N6 O12 Ti3 -","- C44 H34 Cl4 N6 O12 Ti3 -","- C44 H34 Cl4 N6 O12 Ti3 -","1","0.5","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.0757","0.0679","","","0.209","0.2304","","","","","","1.064","","","","has coordinates","274405","2022-04-06","22:35:03",""
"7244721","13.5956","0.0005","14.9312","0.0005","20.3151","0.0007","93.9774","0.0015","95.1157","0.0014","100.33","0.0015","4025.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H100 N4 O28 Ti8 -","- C64 H100 N4 O28 Ti8 -","- C128 H200 N8 O56 Ti16 -","2","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","","0.71073","MoKα","","0.0684","0.0477","","","0.1256","0.1416","","","","","","1.019","","","","has coordinates,has disorder","274405","2022-04-06","22:35:04",""
"7244722","12.5281","0.0011","30.0488","0.0017","10.1629","0.0009","90","","110.549","0.011","90","","3582.4","0.6","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O13 Ti3 -","- C32 H32 N2 O13 Ti3 -","- C128 H128 N8 O52 Ti12 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.1382","0.0692","","","0.1564","0.2034","","","","","","0.988","","","","has coordinates","274405","2022-04-06","22:35:04",""
"7244723","11.867","0.0003","21.1077","0.0005","18.0596","0.0004","90","","106.668","0.0009","90","","4333.59","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N3 O13 Ti3 -","- C41 H39 N3 O13 Ti3 -","- C164 H156 N12 O52 Ti12 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","","0.71073","MoKα","","0.0472","0.0342","","","0.0883","0.0971","","","","","","1.037","","","","has coordinates,has disorder","274405","2022-04-06","22:35:04",""
"7244724","13.6916","0.0007","14.6046","0.0009","14.21","0.0008","90","","101.132","0.005","90","","2788","0.3","137","1","137","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N3 O8 Ti2 -","- C27 H29 N3 O8 Ti2 -","- C108 H116 N12 O32 Ti8 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.09","0.0627","","","0.1601","0.1901","","","","","","1.06","","","","has coordinates","274405","2022-04-06","22:35:04",""
"7244725","11.5289","0.0001","15.1039","0.0001","26.5225","0.0001","90","","90","","90","","4618.4","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0221","0.0203","","","0.0491","0.0498","","","","","","1.031","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244726","11.5288","0.0001","15.0909","0.0001","26.5164","0.0002","90","","90","","90","","4613.32","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0456","0.0444","","","0.1202","0.1213","","","","","","1.068","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244727","11.1809","0.0001","15.0036","0.0001","25.5061","0.0001","90","","90","","90","","4278.74","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 N4 O16 Zn3 -","- C44 H37 N4 O16 Zn3 -","- C176 H148 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0325","0.0311","","","0.0757","0.0761","","","","","","1.072","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244728","11.1793","0.0001","15.0014","0.0002","25.5008","0.0002","90","","90","","90","","4276.62","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N4 O16 Zn3 -","- C44 H40 N4 O16 Zn3 -","- C176 H160 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0385","0.0361","","","0.0889","0.0906","","","","","","1.026","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244729","34.4367","0.0018","4.3516","0.0002","28.1754","0.0015","90","","90","","90","","4222.2","0.4","150","","150","","","","","","","","synthesized","3","P c a 21","P 2c -2ac","29","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C184 H152 N56 -","8","2","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","1.54184","CuKα","","0.0999","0.0844","","0.2416","0.2219","0.241","","","","","","1.0025","","","","has coordinates","274418","2022-04-07","22:37:05",""
"7244730","13.6171","0.0005","18.4028","0.0006","12.9206","0.0006","90","","115.024","0.005","90","","2933.9","0.2","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.6 Br0.4 I2 N7 O3.4 S0.6 -","- C28 H25.6 Br0.4 I2 N7 O3.4 S0.6 -","- C112 H102.4 Br1.6 I8 N28 O13.6 S2.4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.71073","MoKα","","0.0754","0.0681","","0.1445","0.1398","0.1445","","","","","","1.1305","","","","has coordinates,has disorder","274418","2022-04-07","22:37:05",""
"7244731","6.991","0.0014","24.531","0.005","30.593","0.006","90","","92.77","0.03","90","","5240.5","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N14 O -","- C53 H46 Cl2 N14 O -","- C212 H184 Cl8 N56 O4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.71073","Synchrotron","","0.121","0.0814","","","0.2245","0.2577","","","","","","1.027","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244732","16.12","0.003","13.851","0.003","15.928","0.003","90","","113.96","0.03","90","","3249.9","1.3","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N7 O4 S -","- C25 H36 N7 O4 S -","- C100 H144 N28 O16 S4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.7109","Synchrotron","","0.1528","0.1348","","0.2402","0.2363","0.24","","","","","","0.7884","","","","has coordinates,has disorder","274418","2022-04-07","22:37:06",""
"7244733","13.546","0.003","18.552","0.002","12.799","0.002","90","","114.375","0.01","90","","2929.8","0.9","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 I2 N7 O5 S -","- C28 H26 I2 N7 O5 S -","- C112 H104 I8 N28 O20 S4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.7109","Synchrotron","","0.0687","0.064","","0.1661","0.1619","0.1661","","","","","","1.0018","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244734","16.037","0.003","20.726","0.004","8.525","0.0017","90","","101.95","0.03","90","","2772.2","1","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl I2 N7 O0.5 -","- C27 H22 Cl I2 N7 O0.5 -","- C108 H88 Cl4 I8 N28 O2 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.710751","Synchrotron","","0.0407","0.0397","","0.1215","0.1206","0.1215","","","","","","1.0079","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244735","18.483","0.004","18.604","0.004","18.986","0.004","87.77","0.03","61.09","0.03","87.55","0.03","5708","3","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H92 N28 O8 S2 -","- C117 H92 N28 O8 S2 -","- C234 H184 N56 O16 S4 -","2","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.710751","Synchrotron","","0.1964","0.1098","","0.3633","0.2669","0.3629","","","","","","0.9944","","","","has coordinates,has disorder","274418","2022-04-07","22:37:06",""
"7244746","9.032","0.0003","6.2712","0.0003","21.3774","0.0009","90","","99.42","0.004","90","","1194.52","0.09","293.15","","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-3-thiomorpholin-4-yl-2,1-benzoxaborol-1(3H)-ol","","- C11 H13 B F N O2 S -","- C11 H13 B F N O2 S -","- C44 H52 B4 F4 N4 O8 S4 -","4","1","","Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota","Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy","CrystEngComm","2022","","","","","10.1039/D2CE00279E","","x-ray","0.71073","MoKα","","0.0572","0.0413","","","0.0956","0.1048","","","","","","1.029","","","","has coordinates","274437","2022-04-08","22:42:00",""
"7244747","6.1181","0.0003","9.4155","0.0004","10.1914","0.0004","99.383","0.003","100.605","0.004","91.22","0.004","568.53","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Fluoro-3-morpholin-4-yl-2,1-benzoxaborol-1(3H)-ol","","- C11 H13 B F N O3 -","- C11 H13 B F N O3 -","- C22 H26 B2 F2 N2 O6 -","2","1","","Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota","Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy","CrystEngComm","2022","","","","","10.1039/D2CE00279E","","x-ray","0.71073","MoKα","","0.0435","0.0338","","","0.0866","0.0922","","","","","","1.065","","","","has coordinates","274437","2022-04-08","22:42:00",""
"7244748","7.1291","0.0002","13.5358","0.0005","27.2056","0.0011","90","","90","","90","","2625.29","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tipiracil hydrochloride methanol solvate - hydrate","","- C37 H58 Cl8 N16 O12 -","- C37 H58 Cl8 N16 O12 -","- C74 H116 Cl16 N32 O24 -","2","0.5","","Barbas, Rafael; Font-Bardia, Mercè; de Sande, Dafne; Frontera, Antonio; Prohens, Rafel","Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate","CrystEngComm","2022","","","","","10.1039/D2CE00161F","","","0.71073","MoKα","","0.0593","0.0498","","","0.1175","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274438","2022-04-08","22:42:27",""
"7244754","6.3227","0.0005","13.3902","0.0008","18.0051","0.0008","90","","96.575","0.005","90","","1514.33","0.17","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C56 H92 O16 P4 -","4","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.1074","0.0875","","","0.1887","0.2037","","","","","","1.119","","","","has coordinates","274456","2022-04-11","22:47:27",""
"7244755","10.9939","0.0006","16.8795","0.0009","11.7929","0.0007","90","","97.999","0.001","90","","2167.1","0.2","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N2 O4 P -","- C22 H27 N2 O4 P -","- C88 H108 N8 O16 P4 -","4","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.0357","0.0319","","","0.0832","0.0857","","","","","","1.039","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244756","18.3882","0.0009","16.3684","0.0007","24.7963","0.0013","90","","96.253","0.005","90","","7418.9","0.6","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H31 N O4.5 P -","- C16 H31 N O4.5 P -","- C256 H496 N16 O72 P16 -","16","4","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.1392","0.0594","","","0.1326","0.1603","","","","","","1.042","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7244757","10.4795","0.0003","12.8571","0.0004","21.1268","0.0004","83.418","0.002","76.743","0.002","83.11","0.003","2739.47","0.13","103","4","103","4","","","","","","","","5","P -1","-P 1","2","","","","- C53 H81 N2 O13 P3 -","- C53 H81 N2 O13 P3 -","- C106 H162 N4 O26 P6 -","2","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.0524","0.0432","","","0.1119","0.1223","","","","","","1.07","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244758","11.424","0.007","13.039","0.002","25.626","0.005","90","","90","","90","","3817","3","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 O4 P -","- C16 H29 N2 O4 P -","- C128 H232 N16 O32 P8 -","8","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.1467","0.0584","","","0.1427","0.1642","","","","","","0.964","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244759","19.7198","0.0004","15.6597","0.0003","27.7238","0.0007","90","","101.019","0.002","90","","8403.4","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N2 O4 P -","- C20 H35 N2 O4 P -","- C320 H560 N32 O64 P16 -","16","4","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.0947","0.053","","","0.144","0.1716","","","","","","1.037","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244767","12.966","0.003","14.216","0.003","16.083","0.003","106.92","0.03","105.88","0.02","94.314","0.019","2689","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Ce N9 O14 Ru -","- C44 H28 Ce N9 O14 Ru -","- C88 H56 Ce2 N18 O28 Ru2 -","2","1","","Yu, Yong-Hui; Huang, Sheng-Li; Yang, Guo-Yu","[Ru(NꓥNꓥN)2-Ce]-based Framework for Photocatalytic Sulfide Oxidation and Hydrogen Production","CrystEngComm","2022","","","","","10.1039/D2CE00397J","","","0.71073","MoKα","","0.1179","0.0738","","","0.1691","0.189","","","","","","1.024","","","","has coordinates","274499","2022-04-12","22:39:59",""
"7244768","12.978","0.002","14.05","0.003","16.307","0.003","107.623","0.006","105.164","0.006","95.164","0.006","2688.5","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Ce N10 O16 Ru -","- C44 H28 Ce N10 O16 Ru -","- C88 H56 Ce2 N20 O32 Ru2 -","2","1","","Yu, Yong-Hui; Huang, Sheng-Li; Yang, Guo-Yu","[Ru(NꓥNꓥN)2-Ce]-based Framework for Photocatalytic Sulfide Oxidation and Hydrogen Production","CrystEngComm","2022","","","","","10.1039/D2CE00397J","","","0.71073","MoKα","","0.1117","0.0712","","","0.2057","0.2311","","","","","","1.068","","","","has coordinates","274499","2022-04-12","22:40:00",""
"7244769","9.7605","0.0006","24.3058","0.0016","13.4017","0.0009","90","","106.527","0.001","90","","3048","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cu N4 O11 S2 U -","- C30 H18 Cu N4 O11 S2 U -","- C120 H72 Cu4 N16 O44 S8 U4 -","4","1","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0441","0.0347","","","0.0895","0.0927","","","","","","1.303","","","","has coordinates","274500","2022-04-12","22:40:53",""
"7244770","13.935","0.003","15.908","0.003","18.26","0.004","102.65","0.03","112.21","0.03","104.07","0.03","3410.3","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H32 N6 O26 S4 U2 Zn -","- C60 H32 N6 O26 S4 U2 Zn -","- C120 H64 N12 O52 S8 U4 Zn2 -","2","1","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0502","0.0339","","","0.0899","0.103","","","","","","1.043","","","","has coordinates","274500","2022-04-12","22:40:53",""
"7244771","16.3215","0.0014","17.453","0.0015","18.0785","0.0015","90","","90","","90","","5149.8","0.8","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 Cd N6 O18 S2 U2 -","- C50 H28 Cd N6 O18 S2 U2 -","- C200 H112 Cd4 N24 O72 S8 U8 -","4","0.5","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0499","0.0311","","","0.0657","0.0717","","","","","","1.024","","","","has coordinates","274500","2022-04-12","22:40:54",""
"7244772","7.493","0.0004","13.8284","0.001","15.4815","0.0013","108.781","0.007","101.858","0.006","105.672","0.006","1385","0.2","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 F3 N O6 -","- C34 H28 F3 N O6 -","- C68 H56 F6 N2 O12 -","2","1","","Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi","Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions","CrystEngComm","2022","","","","","10.1039/D2CE00266C","","x-ray","0.71073","MoKα","","0.0849","0.0645","","","0.1607","0.1732","","","","","","1.054","","","","has coordinates,has disorder","274501","2022-04-12","22:41:35",""
"7244773","28.409","0.015","17.899","0.006","12.633","0.005","90","","101.158","0.018","90","","6302","5","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 F6 N2 O12 -","- C68 H56 F6 N2 O12 -","- C272 H224 F24 N8 O48 -","4","1","","Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi","Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions","CrystEngComm","2022","","","","","10.1039/D2CE00266C","","","0.75","synchrotron","","0.1066","0.0747","","","0.2014","0.223","","","","","","1.025","","","","has coordinates","274501","2022-04-12","22:41:37",""
"7244774","13.4405","0.0003","16.5001","0.0004","14.9111","0.0003","90","","90","","90","","3306.83","0.13","130","","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12.5 H12 Cd N6 O7.5 -","- C12.5 H12 Cd N6 O7.5 -","- C100 H96 Cd8 N48 O60 -","8","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","1.5418","CuKα","","0.0547","0.0411","","","0.1059","0.1182","","","","","","1.028","","","","has coordinates,has disorder","274514","2022-04-13","22:39:56",""
"7244775","8.3201","0.0004","12.4952","0.0006","18.8596","0.0009","90","","96.139","0.002","90","","1949.43","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cd N6 O8 -","- C15 H18 Cd N6 O8 -","- C60 H72 Cd4 N24 O32 -","4","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","0.71073","MoKα","","0.0672","0.0534","","","0.1525","0.1597","","","","","","1.062","","","","has coordinates,has disorder","274514","2022-04-13","22:39:57",""
"7244776","10.4146","0.0003","8.9125","0.0003","16.3565","0.0005","90","","103","0.001","90","","1479.3","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cd N5 O4 -","- C13 H11 Cd N5 O4 -","- C52 H44 Cd4 N20 O16 -","4","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","0.71073","MoKα","","0.0287","0.0213","","","0.049","0.0522","","","","","","1.056","","","","has coordinates","274514","2022-04-13","22:39:57",""
"7244777","12.8983","0.0013","13.4856","0.0014","16.2197","0.0017","113.259","0.002","91.93","0.002","115.225","0.001","2274.5","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- Ca3 K5 Mo6 Na O49 P4 -","- Ca3 K5 Mo6 Na O49 P4 -","- Ca6 K10 Mo12 Na2 O98 P8 -","2","1","","Hua, Jiai; Wei, Xueman; Bian, Yujian; Ma, Xiang; Hao, Li; Sun, Jierui; Fan, Jingjing; Niu, Yulan; Wang, Yanqing","A nanoscale polymolybdate built by two hexavacant Keggin-type fragments via a novel {Ca6P6O38} cluster with β-sheet conformation modulation ability","CrystEngComm","2022","","","","","10.1039/D2CE00215A","","","0.71073","MoKα","","0.0397","0.0344","","","0.0878","0.0931","","","","","","1.062","","","","has coordinates","274515","2022-04-13","22:40:31",""
"7244778","10.701","0.0007","15.5677","0.0009","18.8482","0.0009","90","","90","","90","","3139.9","0.3","80","2","80","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H28 B2 Fe N6 O2 -","- C28 H18 B2 Fe N6 O2 -","- C112 H72 B8 Fe4 N24 O8 -","4","0.25","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","0.71073","MoKα","","0.0533","0.0469","","","0.1179","0.1216","","","","","","1.08","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244779","12.425","0.0003","16.2282","0.0004","9.68021","0.00019","90","","90","","90","","1951.87","0.08","298","2","298","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B30 Fe N6 S -","- C28 H23 B2 Fe N6 -","- C56 H46 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0584","0.058","","","0.1721","0.1726","","","","","","1.235","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244780","12.0275","0.0009","15.8838","0.0011","9.5912","0.0006","90","","90","","90","","1832.3","0.2","120","2","120","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B2 Fe N6 S -","- C28 H24 B2 Fe N6 -","- C56 H48 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0566","0.0562","","","0.1646","0.1653","","","","","","1.135","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7244781","11.012","0.004","15.769","0.005","18.997","0.006","90","","90","","90","","3298.8","1.9","250","2","250","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H28 B2 Fe N6 O2 -","- C28 H18 B2 Fe N6 O2 -","- C112 H72 B8 Fe4 N24 O8 -","4","0.25","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","","0.71073","MoKα","","0.0403","0.0377","","","0.1037","0.1061","","","","","","1.066","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7244791","11.4076","0.0004","11.4418","0.0005","11.4575","0.0004","82.116","0.003","70.323","0.003","62.123","0.004","1244.37","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O -","- C10 H16 O -","- C60 H96 O6 -","6","3","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0489","0.0465","","","0.1334","0.1359","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:11",""
"7244792","18.7366","0.0002","9.0758","0.0001","21.2147","0.0002","90","","90","","90","","3607.55","0.06","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0379","0.0361","","","0.0995","0.1016","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244793","11.577","0.0005","11.5948","0.0005","11.5876","0.0004","81.718","0.003","70.661","0.003","61.489","0.004","1289.5","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O -","- C10 H16 O -","- C60 H96 O6 -","6","3","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.071","0.0655","","","0.1791","0.1836","","","","","","1.009","","","","has coordinates,has disorder","274563","2022-04-18","22:38:12",""
"7244794","18.9657","0.0005","9.2178","0.0002","21.3293","0.0004","90","","90","","90","","3728.83","0.15","345","2","345","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.059","0.0508","","","0.1607","0.1707","","","","","","1.088","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244795","18.9092","0.0001","9.1761","0.0001","21.2981","0.0002","90","","90","","90","","3695.49","0.06","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0391","0.0368","","","0.1089","0.1113","","","","","","1.08","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244796","11.716","0.002","20.381","0.008","11.709","0.007","90","","109.58","0.03","90","","2634","2","330","","330","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","2-Adamantanol","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","1.5","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244797","8.7701","0.0005","14.3922","0.0008","18.8489","0.001","78.414","0.003","79.587","0.003","72.876","0.003","2208.5","0.2","193","2","193","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H46 N14 O9.5 Zn -","- C46 H32 N14 O6 Zn -","- C92 H64 N28 O12 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","1.34139","GaKα","","0.0781","0.057","","","0.1656","0.1792","","","","","","1.069","","","","has coordinates,has disorder","274564","2022-04-18","22:39:23",""
"7244798","9.0484","0.0005","11.1794","0.0007","12.8727","0.0007","80.467","0.003","80.137","0.002","77.54","0.003","1241.43","0.12","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N7 O4 Zn -","- C30 H20 N7 O4 Zn -","- C60 H40 N14 O8 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","1.34139","GaKα","","0.0427","0.0371","","","0.0974","0.1005","","","","","","1.055","","","","has coordinates","274564","2022-04-18","22:39:23",""
"7244799","9.2514","0.0017","12.824","0.002","16.624","0.003","68.187","0.006","82.616","0.007","80.538","0.006","1801.2","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H32.5 N9.5 O5.5 Zn -","- C35 H22 N8 O4 Zn -","- C70 H44 N16 O8 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","0.71073","MoKα","","0.0823","0.0578","","","0.14","0.155","","","","","","1.018","","","","has coordinates,has disorder","274564","2022-04-18","22:39:23",""
"7244800","6.2266","0.0009","7.1344","0.0007","14.1593","0.0015","97.548","0.009","90.802","0.011","94.115","0.01","621.77","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N6 O8 S2 -","- C24 H31 N6 O8 S2 -","- C24 H31 N6 O8 S2 -","1","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.0903","0.0789","","","0.2101","0.222","","","","","","1.074","","","","has coordinates,has disorder","274566","2022-04-18","22:41:43",""
"7244801","7.4141","0.0003","12.8303","0.0007","15.1362","0.0009","69.146","0.005","86.884","0.004","77","0.004","1310.5","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N6 O8 S2 -","- C22 H28 N6 O8 S2 -","- C44 H56 N12 O16 S4 -","2","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0367","0.0334","","","0.093","0.0953","","","","","","1.046","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244802","7.6608","0.0005","10.915","0.0007","27.573","0.002","90","","94.659","0.007","90","","2298","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N6 O9 S2 -","- C44 H56 N6 O9 S2 -","- C88 H112 N12 O18 S4 -","2","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.089","0.0777","","","0.177","0.1823","","","","","","1.189","","","","has coordinates,has disorder","274566","2022-04-18","22:41:44",""
"7244803","39.275","0.009","12.1367","0.0013","7.323","0.0009","90","","90","","90","","3490.6","1","99.97","0.14","99.97","0.14","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H39 N6 O7 S2 -","- C24 H38 N6 O7 S2 -","- C96 H152 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1755","0.1514","","","0.381","0.4012","","","","","","1.065","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244804","11.99","0.0009","26.883","0.002","7.3973","0.0006","90","","92.394","0.007","90","","2382.3","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N6 O8 S2 -","- C16 H28 N6 O8 S2 -","- C64 H112 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.0856","0.0613","","","0.1364","0.1501","","","","","","1.05","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244805","6.1959","0.0003","7.1931","0.0003","14.6132","0.0006","101.192","0.004","90.032","0.004","93.056","0.004","637.94","0.05","149.99","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N6 O8 S2 -","- C25 H34 N6 O8 S2 -","- C25 H34 N6 O8 S2 -","1","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","","1.54184","CuKα","","0.1003","0.0959","","","0.2744","0.2836","","","","","","1.331","","","","has coordinates,has disorder","274566","2022-04-18","22:41:45",""
"7244806","8.3016","0.0002","11.7965","0.0003","30.4956","0.0006","90","","95.177","0.002","90","","2974.25","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H35 N7 O8 S2 -","- C22 H35 N7 O8 S2 -","- C88 H140 N28 O32 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0406","0.0397","","","0.1048","0.1066","","","","","","1.047","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244807","12.5276","0.0008","24.5907","0.0016","28.4358","0.0019","90","","90","","90","","8760","1","149.99","0.1","149.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N6 O12 S2 -","- C38 H48 N6 O12 S2 -","- C304 H384 N48 O96 S16 -","8","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1097","0.0688","","","0.1618","0.1961","","","","","","1.055","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7244808","12.4527","0.0002","13.4693","0.0003","26.9148","0.0005","90","","90","","90","","4514.4","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H64 N6 O10 S2 -","- C38 H64 N6 O10 S2 -","- C152 H256 N24 O40 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0456","0.0402","","","0.1108","0.1139","","","","","","1.067","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7244809","8.4629","0.0003","7.7277","0.0003","24.8938","0.0007","90","","95.196","0.003","90","","1621.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0617","0.0393","","","0.069","0.078","","","","","","1.019","","","","has coordinates","274586","2022-04-19","22:49:03",""
"7244810","8.518","0.0003","7.8123","0.0003","24.9061","0.0007","90","","93.882","0.003","90","","1653.58","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0776","0.0477","","","0.0864","0.1006","","","","","","1.047","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244811","8.5132","0.0003","7.8036","0.0003","24.9137","0.0007","90","","93.876","0.003","90","","1651.32","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0781","0.0498","","","0.0849","0.0968","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244812","8.5069","0.0004","7.7879","0.0003","24.9206","0.0008","90","","93.898","0.004","90","","1647.19","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0827","0.0511","","","0.0952","0.111","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244813","8.5145","0.0003","7.8127","0.0003","24.8999","0.0006","90","","93.874","0.003","90","","1652.59","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0642","0.0435","","","0.0823","0.0917","","","","","","1.024","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244814","8.5546","0.0003","7.8266","0.0003","24.9175","0.0007","90","","93.834","0.003","90","","1664.58","0.1","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0699","0.0469","","","0.0891","0.0996","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244815","8.5347","0.0003","7.8187","0.0002","24.903","0.0006","90","","93.842","0.003","90","","1658.05","0.08","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.067","0.044","","","0.0842","0.0958","","","","","","1.033","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244816","8.5779","0.0006","7.7998","0.0004","24.9321","0.001","90","","94.153","0.005","90","","1663.72","0.16","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.1006","0.0666","","","0.1446","0.1714","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244817","8.5278","0.0003","7.7446","0.0003","24.9228","0.0008","90","","95.023","0.003","90","","1639.69","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0609","0.0382","","","0.0709","0.0804","","","","","","1.033","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244818","8.5788","0.0004","7.8253","0.0003","24.9355","0.0007","90","","93.907","0.003","90","","1670.07","0.11","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.078","0.049","","","0.0919","0.1076","","","","","","1.037","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244819","8.5709","0.0003","7.83","0.0003","24.9295","0.0007","90","","93.868","0.003","90","","1669.21","0.1","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0718","0.047","","","0.0858","0.0979","","","","","","1.045","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244820","8.5365","0.0004","7.7574","0.0003","24.9435","0.0009","90","","94.614","0.004","90","","1646.43","0.12","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0698","0.0422","","","0.0748","0.0871","","","","","","1.028","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244821","8.5713","0.0005","7.8306","0.0004","24.9557","0.0013","90","","93.877","0.005","90","","1671.15","0.16","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0999","0.0506","","","0.0887","0.1079","","","","","","1.001","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244822","8.56","0.0005","7.7921","0.0003","24.965","0.0011","90","","93.916","0.004","90","","1661.29","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0873","0.0465","","","0.0789","0.0965","","","","","","1.028","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244823","8.5715","0.0004","7.848","0.0004","24.9357","0.0013","90","","93.9","0.005","90","","1673.52","0.15","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0918","0.0482","","","0.0801","0.0956","","","","","","1.014","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244824","8.5491","0.0005","7.7738","0.0003","24.9629","0.0009","90","","94.133","0.004","90","","1654.69","0.13","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0804","0.0441","","","0.0735","0.0872","","","","","","1.046","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244825","8.5858","0.0004","7.7514","0.0003","24.944","0.0009","90","","94.872","0.004","90","","1654.07","0.12","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0703","0.0408","","","0.0701","0.081","","","","","","1.005","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244826","8.5678","0.0004","7.8189","0.0003","24.9575","0.0011","90","","93.857","0.004","90","","1668.14","0.13","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0927","0.0491","","","0.0834","0.103","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244827","8.575","0.0004","7.7508","0.0003","24.9403","0.0009","90","","94.906","0.004","90","","1651.54","0.12","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0676","0.0401","","","0.0721","0.0833","","","","","","1.017","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244828","8.5676","0.0004","7.8399","0.0004","24.9457","0.0012","90","","93.91","0.005","90","","1671.68","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0939","0.0498","","","0.0836","0.0998","","","","","","1.023","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244829","8.5737","0.0004","7.7572","0.0003","24.9303","0.0008","90","","94.731","0.004","90","","1652.41","0.11","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0604","0.0403","","","0.0805","0.0922","","","","","","1.049","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244830","8.577","0.0005","7.8445","0.0003","24.9399","0.001","90","","93.926","0.004","90","","1674.08","0.13","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0867","0.048","","","0.0724","0.0865","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244831","8.5713","0.0007","7.7639","0.0005","24.9495","0.0017","90","","94.672","0.006","90","","1654.8","0.2","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0983","0.0582","","","0.102","0.1309","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244832","8.5861","0.0004","7.7599","0.0003","24.9514","0.0009","90","","94.697","0.004","90","","1656.86","0.12","254","2","254","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0769","0.0448","","","0.0739","0.0868","","","","","","0.985","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244833","8.5782","0.0006","7.8203","0.0004","24.9405","0.0012","90","","94.01","0.005","90","","1669.01","0.17","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.108","0.0593","","","0.1033","0.134","","","","","","1.025","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244834","8.5838","0.0006","7.7813","0.0004","24.9696","0.0014","90","","94.306","0.006","90","","1663.09","0.17","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0954","0.0522","","","0.0775","0.0957","","","","","","0.984","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244835","8.5886","0.0005","7.8448","0.0003","24.9572","0.0012","90","","93.919","0.004","90","","1677.58","0.14","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0916","0.0491","","","0.0791","0.0951","","","","","","1.026","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244836","8.5727","0.0005","7.8506","0.0004","24.9331","0.0013","90","","93.899","0.005","90","","1674.13","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0903","0.0492","","","0.0779","0.0938","","","","","","1.034","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244837","3.801","0.0002","5.8557","0.0003","27.5948","0.0012","90","","93.72","0.004","90","","612.9","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bpy4dc","dimethyl 2,2'-bipyridine-4,4'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0491","0.0424","","","0.1066","0.1118","","","","","","1.069","","","","has coordinates","274587","2022-04-19","22:49:46",""
"7244838","8.458","0.003","13.861","0.004","15.612","0.005","63.83","0.03","83.71","0.03","79.31","0.03","1613.4","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2688","0.1242","","","0.3002","0.3641","","","","","","0.905","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244839","8.4584","0.0018","13.867","0.003","15.643","0.004","63.83","0.02","83.51","0.018","79.336","0.016","1617.3","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2212","0.1107","","","0.2895","0.3512","","","","","","0.938","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244840","8.457","0.0017","13.863","0.002","15.648","0.004","63.84","0.02","83.505","0.018","79.366","0.016","1617.3","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2209","0.1072","","","0.2855","0.3464","","","","","","0.92","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244841","8.4976","0.0009","13.812","0.002","15.5449","0.0019","63.761","0.014","82.994","0.009","78.512","0.011","1602.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.1301","0.0764","","","0.2032","0.2454","","","","","","0.956","","","","has coordinates","274587","2022-04-19","22:49:46",""
"7244842","8.4188","0.0004","16.5033","0.0008","17.3275","0.0008","90","","90.263","0.002","90","","2407.4","0.2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B F7 N O6 -","- C18 H29 B F7 N O6 -","- C72 H116 B4 F28 N4 O24 -","4","1","","Han, Ding-Chong; Tan, Yu-Hui; Wen, Jia-Hui; Tang, Yun Zhi; Wu, Peng-Fei; Li, Yu-Kong; Wan, Ming-Yang; Fan, Xiao-Wei","High-Tp-Triggered Phase Transition Exhibiting Switchable Dielectric-Thermal Responses and Long Photoluminescence Lifetime in a Novel Inclusion Luminophor","CrystEngComm","2022","","","","","10.1039/D2CE00236A","","","0.71073","MoKα","","0.1226","0.0715","","","0.1706","0.2071","","","","","","1.027","","","","has coordinates,has disorder","274609","2022-04-20","22:40:05",""
"7244846","7.0468","0.0009","7.96","0.001","9.2442","0.0012","80.193","0.009","78.165","0.008","80.695","0.008","495.75","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Br Cl3 N -","- C5 H4 Au Br Cl3 N -","- C10 H8 Au2 Br2 Cl6 N2 -","2","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0802","0.0392","","","0.0647","0.0747","","","","","","0.96","","","","has coordinates","274646","2022-04-22","22:32:47",""
"7244847","4.0879","0.0005","13.478","0.0019","17.229","0.002","90","","90.976","0.005","90","","949.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Au Cl4 N -","- C5 H4 Au Cl4 N -","- C20 H16 Au4 Cl16 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0325","0.02","","","0.0359","0.039","","","","","","1.062","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244848","18.5724","0.0012","6.8315","0.0004","16.2536","0.001","90","","103.388","0.002","90","","2006.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Au Cl3 I N -","- C5 H4 Au Cl3 I N -","- C40 H32 Au8 Cl24 I8 N8 -","8","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0443","0.025","","","0.0444","0.0513","","","","","","1.025","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244849","4.1948","0.0004","13.8237","0.0014","16.8348","0.0018","90","","90","","90","","976.21","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 Au Br3 F N -","- C5 H4 Au Br3 F N -","- C20 H16 Au4 Br12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0697","0.0719","","","","","","1","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244850","6.6793","0.0011","8.242","0.0013","16.356","0.003","90","","94.54","0.008","90","","897.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Au Cl3 F N O0 -","- C5 H4 Au Cl3 F N -","- C20 H16 Au4 Cl12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.1078","0.0637","","","0.1581","0.1795","","","","","","1.047","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244851","7.4947","0.0017","9.945","0.003","10","0.002","85.66","0.013","69.881","0.012","78.186","0.012","685","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 Au Cl3 N2 O -","- C10 H12 Au Cl3 N2 O -","- C20 H24 Au2 Cl6 N4 O2 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0668","0.0331","","","0.0578","0.0665","","","","","","0.867","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244852","7.3049","0.0004","7.9398","0.0004","14.1403","0.0008","91.892","0.002","101.92","0.003","99.075","0.002","790.57","0.07","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H11 Au Br3 N2 O2 -","- C10 H11 Au Br3 N2 O2 -","- C20 H22 Au2 Br6 N4 O4 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0391","0.025","","","0.043","0.0455","","","","","","0.958","","","","has coordinates","274646","2022-04-22","22:32:50",""
"7244853","7.411","0.0003","9.0343","0.0006","9.7976","0.0006","76.87","0.005","88.723","0.005","84.956","0.004","636.36","0.06","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Br2 Cl2 F4 N2 O4 -","- C22 H22 Br2 Cl2 F4 N2 O4 -","- C22 H22 Br2 Cl2 F4 N2 O4 -","1","0.5","","Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun","Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE00229A","","x-ray","0.71073","MoKα","","0.0461","0.0342","","","0.0684","0.0726","","","","","","1.046","","","","has coordinates","274700","2022-04-26","22:34:21",""
"7244854","7.4734","0.0002","9.3123","0.0005","9.9081","0.0004","73.84","0.004","86.669","0.003","82.978","0.003","657.13","0.05","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl2 F4 I2 N2 O4 -","- C22 H22 Cl2 F4 I2 N2 O4 -","- C22 H22 Cl2 F4 I2 N2 O4 -","1","0.5","","Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun","Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE00229A","","x-ray","0.71073","MoKα","","0.0308","0.0288","","","0.0709","0.0729","","","","","","1.06","","","","has coordinates","274700","2022-04-26","22:34:22",""
"7244859","7.5511","0.0004","8.7","0.0004","12.6118","0.0007","86.36","0.002","75.717","0.002","75.416","0.002","777.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 N6 Ni S4 -","- C24 H40 N6 Ni S4 -","- C24 H40 N6 Ni S4 -","1","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0829","0.0426","","","0.0812","0.092","","","","","","1.02","","","","has coordinates","274725","2022-04-27","22:44:12",""
"7244860","9.8898","0.0007","11.0565","0.0008","12.9603","0.0009","90","","103.974","0.002","90","","1375.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N6 Ni S4 -","- C20 H32 N6 Ni S4 -","- C40 H64 N12 Ni2 S8 -","2","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1853","0.0776","","","0.1791","0.2186","","","","","","1.031","","","","has coordinates,has disorder","274725","2022-04-27","22:44:13",""
"7244861","8.0311","0.0006","9.269","0.0007","9.4907","0.0007","114.353","0.003","103.978","0.003","100.933","0.003","590.19","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N6 Ni S4 -","- C16 H24 N6 Ni S4 -","- C16 H24 N6 Ni S4 -","1","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0698","0.0505","","","0.1149","0.1294","","","","","","1.134","","","","has coordinates","274725","2022-04-27","22:44:13",""
"7244862","10.2851","0.0005","12.7962","0.0007","15.8552","0.0008","90","","105.97","0.0012","90","","2006.18","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N6 Ni S4 -","- C32 H56 N6 Ni S4 -","- C64 H112 N12 Ni2 S8 -","2","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0756","0.0426","","","0.0858","0.0945","","","","","","1.025","","","","has coordinates","274725","2022-04-27","22:44:16",""
"7244863","17.7929","0.0009","15.3944","0.0008","16.2435","0.0008","90","","116.214","0.001","90","","3991.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 N6 Ni S4 -","- C32 H56 N6 Ni S4 -","- C128 H224 N24 Ni4 S16 -","4","1","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1597","0.0635","","","0.1777","0.2361","","","","","","0.883","","","","has coordinates","274725","2022-04-27","22:44:23",""
"7244864","9.9396","0.0004","19.2932","0.0008","19.4036","0.0008","103.934","0.001","94.109","0.001","90.753","0.001","3600.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 N6 Ni S4 -","- C28 H48 N6 Ni S4 -","- C112 H192 N24 Ni4 S16 -","4","2","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1201","0.052","","","0.1027","0.1221","","","","","","1.005","","","","has coordinates","274725","2022-04-27","22:44:23",""
"7244865","8.0145","0.0003","12.1192","0.0004","21.2967","0.0007","90","","91.686","0.003","90","","2067.64","0.12","133","","133.2","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Br6 F6 N3 Sb -","- C6 H18 Br6 F6 N3 Sb -","- C24 H72 Br24 F24 N12 Sb4 -","4","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.2043","0.2014","","","0.5057","0.5062","","","","","","1.151","","","","has coordinates","274726","2022-04-27","22:45:40",""
"7244866","12.3766","0.0005","21.5176","0.0008","8.0757","0.0003","90","","90","","90","","2150.68","0.14","292.99","0.1","292.99","0.1","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H14 Br6 F7 N3 Sb -","- C6 H17 Br6 F7 N3 Sb -","- C24 H68 Br24 F28 N12 Sb4 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.0554","0.0487","","","0.1486","0.1529","","","","","","1.111","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244867","12.3891","0.0005","21.5246","0.0009","8.0726","0.0003","90","","90","","90","","2152.72","0.15","273","","273","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","1","0.125","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.0707","0.0484","","","0.1401","0.1516","","","","","","1.045","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244868","8.0374","0.0009","12.3053","0.0011","21.399","0.0015","90","","90","","90","","2116.4","0.3","232.97","0.1","232.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Br6 F6 N3 Sb -","- C6 H16 Br6 F6 N3 Sb -","- C24 H64 Br24 F24 N12 Sb4 -","4","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.1508","0.1213","","","0.3327","0.3475","","","","","","1.068","","","","has coordinates,has disorder","274726","2022-04-27","22:45:41",""
"7244871","7.0697","0.0005","12.8591","0.0008","13.3357","0.0009","87.564","0.002","80.1017","0.0019","88.5666","0.0019","1193.03","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Au Cl4 N3 O3 -","- C18 H28 Au Cl4 N3 O3 -","- C36 H56 Au2 Cl8 N6 O6 -","2","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0488","0.032","","","0.0525","0.0561","","","","","","1.02","","","","has coordinates","274810","2022-05-02","22:51:33",""
"7244872","12.329","0.0009","16.7583","0.0013","13.2907","0.001","90","","102.993","0.001","90","","2675.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Au Cl4 N3 O3 -","- C21 H34 Au Cl4 N3 O3 -","- C84 H136 Au4 Cl16 N12 O12 -","4","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0269","0.0167","","","0.0346","0.038","","","","","","1.075","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244873","11.433","0.003","14.321","0.004","19.606","0.006","71.99","0.005","82.849","0.005","74.244","0.004","2935.3","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H122 Au4 Br16 N12 O13 -","- C76 H122 Au4 Br16 N12 O13 -","- C76 H122 Au4 Br16 N12 O13 -","1","0.5","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.1279","0.0837","","","0.2106","0.2383","","","","","","0.977","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244874","12.5789","0.0011","17.0609","0.0015","13.3931","0.0012","90","","103.8","0.002","90","","2791.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Au Br4 N3 O3 -","- C21 H34 Au Br4 N3 O3 -","- C84 H136 Au4 Br16 N12 O12 -","4","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0373","0.0211","","","0.0438","0.0485","","","","","","1.022","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244875","8.2648","0.0011","15.324","0.002","24.254","0.003","90","","91.5","0.002","90","","3070.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-tris(4-formyl phenoxymethyl)mesitylene","","- C36 H36 O7 -","- C36 H36 O7 -","- C144 H144 O28 -","4","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0717","0.0614","","","0.1491","0.1566","","","","","","1.042","","","","has coordinates,has disorder","274811","2022-05-02","22:52:48",""
"7244876","28.148","0.005","9.87","0.002","25.456","0.005","90","","101.202","0.006","90","","6937","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Br8 N14 O9 -","- C56 H82 Br8 N14 O9 -","- C224 H328 Br32 N56 O36 -","4","0.5","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0866","0.0545","","","0.1342","0.1507","","","","","","1.044","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244877","10.4686","0.0012","10.5937","0.001","14.3939","0.0018","104.077","0.004","105.163","0.003","96.007","0.005","1470.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","tris(4-aminopyridinium)mesitylene tribromide","","- C27 H33 Br3 N6 O -","- C27 H33 Br3 N6 O -","- C54 H66 Br6 N12 O2 -","2","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0969","0.0503","","","0.1132","0.1518","","","","","","1.06","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244878","7.4743","0.0005","26.063","0.002","16.587","0.0011","90","","93.174","0.003","90","","3226.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(4-amino-N-ethylbenzamide)ammonium bromide","","- C27 H35 Br2 N7 O7 -","- C27 H35 Br2 N7 O7 -","- C108 H140 Br8 N28 O28 -","4","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.1582","0.0574","","","0.1383","0.1818","","","","","","0.959","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244884","9.3146","0.0007","11.4763","0.0009","12.2711","0.0009","95.205","0.004","106.911","0.004","98.262","0.004","1229.77","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H32 O4 -","- C29 H32 O4 -","- C58 H64 O8 -","2","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0547","0.0429","","","0.1203","0.1316","","","","","","1.057","","","","has coordinates","274856","2022-05-03","22:31:21",""
"7244885","9.3281","0.0006","21.6191","0.0015","12.2447","0.0009","90","","95.321","0.004","90","","2458.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O4 -","- C29 H32 O4 -","- C116 H128 O16 -","4","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0753","0.0586","","","0.1393","0.1536","","","","","","1.096","","","","has coordinates","274856","2022-05-03","22:31:24",""
"7244886","11.5533","0.0005","10.2872","0.0005","19.6885","0.0009","90","","97.333","0.002","90","","2320.86","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 O3 -","- C29 H30 O3 -","- C116 H120 O12 -","4","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0888","0.0626","","","0.1561","0.1788","","","","","","1.101","","","","has coordinates","274856","2022-05-03","22:31:26",""
"7244897","9.9889","0.0009","10.8567","0.0012","9.9953","0.001","90","","105.531","0.003","90","","1044.38","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0737","0.0468","","","0.1252","0.1499","","","","","","0.869","","","","has coordinates","275152","2022-05-06","22:31:55",""
"7244898","10.574","0.0006","10.9521","0.0007","11.457","0.0008","109.58","0.002","98.665","0.002","117.163","0.002","1036.68","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.1084","0.0586","","","0.1659","0.1981","","","","","","1.068","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244899","9.967","0.007","10.881","0.008","9.994","0.007","90","","105.28","0.02","90","","1045.5","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0452","0.0377","","","0.1121","0.1235","","","","","","0.921","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244900","10.5787","0.0006","10.9535","0.0006","11.4597","0.0007","109.577","0.002","98.666","0.002","117.16","0.002","1037.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0865","0.0541","","","0.1599","0.186","","","","","","0.97","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244901","12.8824","0.0008","19.0447","0.0011","15.1918","0.0011","90","","98.548","0.005","90","","3685.8","0.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 I4 O4 -","- C40 H28 I4 O4 -","- C160 H112 I16 O16 -","4","0.5","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","1.54178","CuKα","","0.1554","0.099","","","0.2093","0.2351","","","","","","1.072","","","","has coordinates","275153","2022-05-06","22:33:55",""
"7244902","12.9348","0.0002","22.8426","0.0004","39.6053","0.0006","90","","90","","90","","11702","0.3","200","","200","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C56 H60 I4 N4 O5 -","- C56 H60 I4 N4 O5 -","- C448 H480 I32 N32 O40 -","8","0.25","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0338","0.0246","","","0.0543","0.0601","","","","","","1.067","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244903","13.2357","0.0016","15.3241","0.0018","15.3955","0.0019","112.406","0.002","101.238","0.002","99.482","0.002","2731.4","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H60 I4 O8 -","- C56 H60 I4 O8 -","- C112 H120 I8 O16 -","2","1","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0557","0.0402","","","0.0922","0.1002","","","","","","1.048","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244904","13.1998","0.0018","14.997","0.002","30.958","0.004","100.754","0.004","90.152","0.004","105.402","0.004","5795.7","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H56 Cl4 I4 N8 O4 -","- C54 H56 Cl4 I4 N8 O4 -","- C216 H224 Cl16 I16 N32 O16 -","4","2","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0969","0.0743","","","0.1778","0.1919","","","","","","1.077","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244907","6.7682","0.0007","3.9248","0.0004","13.5199","0.0015","90","","92.765","0.01","90","","358.72","0.07","270","2","270","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[HImidazole][(NbOF4]","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.5","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","","0.71073","MoKα","","0.092","0.0895","","","0.2225","0.2241","","","","","","1.242","","","","has coordinates,has disorder","275307","2022-05-10","22:30:48",""
"7244908","13.529","0.001","6.8257","0.0005","3.9372","0.0002","90","","90","","90","","363.58","0.04","305.38","0.1","305.38","0.1","","","","","","","","6","P m m a","-P 2a 2a","51","","[HImidazole](NbOF4)","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.25","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","x-ray","0.71073","MoKα","","0.0429","0.0374","","","0.0929","0.0972","","","","","","1.193","","","","has coordinates,has disorder","275307","2022-05-10","22:30:49",""
"7244911","7.812","0.003","10.859","0.004","12.709","0.005","89.402","0.015","72.201","0.009","79.402","0.011","1007.8","0.7","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H29 Co2 N3 O14 P3 -","- C9 H29 Co2 N3 O14 P3 -","- C18 H58 Co4 N6 O28 P6 -","2","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0994","0.0633","","","0.1329","0.1454","","","","","","1.049","","","","has coordinates","275348","2022-05-11","22:36:03",""
"7244912","11.295","0.001","12.017","0.0008","16.7188","0.0013","90","","103.271","0.003","90","","2208.7","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Co5 N6 O32 P6 -","- C18 H64 Co5 N6 O32 P6 -","- C36 H128 Co10 N12 O64 P12 -","2","0.5","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0291","0.0257","","","0.0673","0.0696","","","","","","1.064","","","","has coordinates","275348","2022-05-11","22:36:03",""
"7244913","23.971","0.004","7.8678","0.0013","22.429","0.004","90","","93.589","0.008","90","","4221.8","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H31 Co2 N3 O15 P3 -","- C9 H31 Co2 N3 O15 P3 -","- C72 H248 Co16 N24 O120 P24 -","8","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0776","0.0467","","","0.0944","0.109","","","","","","1.018","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244914","12.79","0.016","14.685","0.018","15.514","0.019","103.49","0.05","108.36","0.05","103.32","0.06","2539","6","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H70 Co4 N6 O34 P6 -","- C18 H50 Co4 N6 O34 P6 -","- C36 H100 Co8 N12 O68 P12 -","2","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0956","0.0739","","","0.1942","0.2099","","","","","","1.038","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244915","20.346","0.006","7.738","0.002","11.322","0.004","90","","90","","90","","1782.5","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co2 N3 O12 P3 -","- C9 H25 Co2 N3 O12 P3 -","- C36 H100 Co8 N12 O48 P12 -","4","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0636","0.0484","","","0.1021","0.1084","","","","","","1.047","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244916","11.2447","0.0008","11.958","0.0008","16.6893","0.0011","90","","103.455","0.002","90","","2182.5","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Co2 N6 Ni3 O32 P6 -","- C18 H64 Co2 N6 Ni3 O32 P6 -","- C36 H128 Co4 N12 Ni6 O64 P12 -","2","0.5","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0288","0.0265","","","0.0673","0.0687","","","","","","1.062","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244917","17.5983","0.0004","24.5934","0.0003","18.2648","0.0002","90","","90","","90","","7905","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","A e m 2","A 2 -2b","39","ZBM","Zn(BPDC)Mel.Mel","","- C20 H22 N12 O4 Zn -","- C13.3333 H8 N8 O2.66667 Zn0.666667 -","- C160 H96 N96 O32 Zn8 -","12","1.5","","Fu, Xiaochen; Sale, Matthew; Ding, Bowen; Lewis, William; Silvester, Debbie S.; Ling, Chris D.; D'Alessandro, Deanna Michelle","Hydrogen-Bonding 2D Coordination Polymer for Enzyme-Free Electrochemical Glucose Sensing","CrystEngComm","2022","","","","","10.1039/D2CE00240J","","","1.54178","CuKα","","0.0482","0.0461","","","0.1255","0.1271","","","","","","1.036","","","","has coordinates,has disorder","275381","2022-05-12","22:41:53",""
"7244918","16.394","0.001","6.4768","0.0004","38.606","0.002","90","","93.249","0.003","90","","4092.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1,2,4,5-tetrafluoro-3,6-diiodobenzene) methyl 4-[(1E)-2-(pyridin-4-yl)ethenyl]benzoate","","- C21 H13 F4 I2 N O2 -","- C21 H13 F4 I2 N O2 -","- C168 H104 F32 I16 N8 O16 -","8","1","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","0.71073","MoKα","","0.0396","0.0261","","","0.0447","0.0477","","","","","","1.02","","","","has coordinates","275382","2022-05-12","22:42:37",""
"7244919","6.267","0.0001","11.0627","0.0002","12.1817","0.0003","76.276","0.002","83.834","0.002","83.2","0.002","811.91","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F4 I2 N2 O4 -","- C36 H26 F4 I2 N2 O4 -","- C36 H26 F4 I2 N2 O4 -","1","0.5","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","1.54184","CuKα","","0.0328","0.0303","","","0.0712","0.0737","","","","","","1.045","","","","has coordinates,has disorder","275382","2022-05-12","22:42:38",""
"7244920","8.2756","0.0002","10.2186","0.0003","11.8757","0.0004","114.572","0.001","92.194","0.002","107.358","0.002","856.35","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hemikis(1,2,4,5-tetrachloro-3,6-diiodobenzene) methyl 4-[(1E)-2-(pyridin-4-yl)ethenyl]benzoate","","- C18 H13 Cl2 I N O2 -","- C18 H13 Cl2 I N O2 -","- C36 H26 Cl4 I2 N2 O4 -","2","1","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","0.71073","MoKα","","0.0185","0.0162","","","0.0377","0.0388","","","","","","1.11","","","","has coordinates","275382","2022-05-12","22:42:38",""
"7244921","5.0082","0.0005","5.8251","0.0006","27.1828","0.0018","89.569","0.005","87.332","0.004","85.969","0.004","790.18","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H14 Ag N3.5 S12 -","- C27.5 H14 Ag N3.5 S12 -","- C27.5 H14 Ag N3.5 S12 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1383","0.0582","","","0.1075","0.1249","","","","","","0.898","","","","has coordinates","275418","2022-05-13","22:35:44",""
"7244922","4.9082","0.0005","5.8283","0.0004","30.957","0.002","94.893","0.004","90.969","0.005","94.432","0.005","879.46","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H14 Hg N5 S15 -","- C28.5 H14 Hg N4.5 S14.5 -","- C28.5 H14 Hg N4.5 S14.5 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1335","0.0783","","","0.1948","0.2135","","","","","","1.066","","","","has coordinates","275418","2022-05-13","22:35:48",""
"7244923","4.9247","0.0005","5.8358","0.0006","27.238","0.003","89.421","0.005","86.821","0.006","85.326","0.006","778.99","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Ag0.5 N4 S12 -","- C27 H14 Ag0.5 N4 S12 -","- C27 H14 Ag0.5 N4 S12 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1139","0.1021","","","0.3053","0.3151","","","","","","1.053","","","","has coordinates","288177","2023-12-08","09:21:14",""
"7244924","4.9017","0.0004","5.7793","0.0005","27.0165","0.0015","89.533","0.005","87.164","0.004","84.996","0.004","761.48","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H7 Ag0.25 N1.5 S6 -","- C13.5 H7 Ag0.25 N1.5 S6 -","- C27 H14 Ag0.5 N3 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1703","0.1352","","","0.3116","0.3237","","","","","","1.129","","","","has coordinates,has disorder","275418","2022-05-13","22:35:48",""
"7244925","4.9143","0.0002","54.6015","0.0016","5.7336","0.0002","90","","95.395","0.002","90","","1531.67","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H14 Ag0.5 N3 S13 -","- C27 H14 Ag0.5 N3 S13 -","- C54 H28 Ag N6 S26 -","2","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1087","0.0751","","","0.1779","0.1912","","","","","","1.073","","","","has coordinates,has disorder","275418","2022-05-13","22:35:49",""
"7244926","8.8592","0.0005","10.4121","0.0005","16.3491","0.0009","76.466","0.001","82.135","0.001","70.542","0.001","1379.61","0.13","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cu2 Mo6 N12 O38 Te -","- C32 H44 Cu2 Mo6 N12 O38 Te -","- C32 H44 Cu2 Mo6 N12 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0688","0.0404","","","0.0834","0.0945","","","","","","1.028","","","","has coordinates","275419","2022-05-13","22:37:48",""
"7244927","8.7287","0.0005","10.5188","0.0006","16.3288","0.0009","76.907","0.001","84.511","0.001","71.759","0.001","1386.38","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Co2 Mo6 N12 O38 Te -","- C32 H44 Co2 Mo6 N12 O38 Te -","- C32 H44 Co2 Mo6 N12 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0371","0.027","","","0.0619","0.0667","","","","","","1.025","","","","has coordinates","275419","2022-05-13","22:37:51",""
"7244928","8.692","0.0005","10.4924","0.0006","16.3349","0.001","77.225","0.001","83.85","0.001","71.877","0.001","1379.61","0.14","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Mo6 N12 Ni2 O38 Te -","- C32 H44 Mo6 N12 Ni2 O38 Te -","- C32 H44 Mo6 N12 Ni2 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0908","0.0438","","","0.0813","0.0997","","","","","","0.974","","","","has coordinates","275419","2022-05-13","22:37:54",""
"7244929","8.7941","0.0005","10.4848","0.0006","16.2937","0.001","76.622","0.001","84.249","0.001","71.69","0.001","1386.97","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Mo6 N12 O38 Te Zn2 -","- C32 H44 Mo6 N12 O38 Te Zn2 -","- C32 H44 Mo6 N12 O38 Te Zn2 -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0617","0.0371","","","0.07","0.0799","","","","","","0.966","","","","has coordinates","275419","2022-05-13","22:37:56",""
"7244930","11.1742","0.0007","11.4148","0.0005","20.2335","0.0012","90","","98.288","0.006","90","","2553.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0899","0.0574","","","0.12","0.1332","","","","","","1.098","","","","has coordinates","275420","2022-05-13","22:38:35",""
"7244931","10.7263","0.0003","11.7","0.0004","21.7531","0.0007","90","","99.441","0.003","90","","2692.99","0.15","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0452","0.037","","","0.099","0.105","","","","","","1.062","","","","has coordinates","275420","2022-05-13","22:38:36",""
"7244932","11.2148","0.0006","11.48","0.0004","20.4163","0.001","90","","98.314","0.005","90","","2600.9","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.1142","0.0654","","","0.1408","0.161","","","","","","1.074","","","","has coordinates","275420","2022-05-13","22:38:36",""
"7244933","11.2176","0.0006","11.4699","0.0004","20.3726","0.0009","90","","98.28","0.004","90","","2593.9","0.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0936","0.0572","","","0.1125","0.126","","","","","","1.1","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244934","10.8131","0.0004","11.8013","0.0005","21.8679","0.0007","90","","99.875","0.003","90","","2749.19","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0536","0.0381","","","0.1043","0.1141","","","","","","1.039","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244935","10.7423","0.0003","11.7166","0.0004","21.8606","0.0008","90","","99.702","0.003","90","","2712.09","0.16","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0452","0.0353","","","0.0962","0.1034","","","","","","1.056","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244936","28.773","0.004","7.4823","0.0005","7.5607","0.0005","90","","91.416","0.009","90","","1627.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDBS-nBuA","","- C28 H36 N2 O6 S4 -","- C28 H36 N2 O6 S4 -","- C56 H72 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.1243","0.0933","","","0.2209","0.2346","","","","","","1.106","","","","has coordinates","275421","2022-05-13","22:39:44",""
"7244937","27.9234","0.0007","7.4749","0.0002","7.6043","0.0002","90","","94.855","0.003","90","","1581.51","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDS-isoBuA","","- C28 H36 N2 O6 S4 -","- C28 H36 N2 O6 S4 -","- C56 H72 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0736","0.053","","","0.1326","0.1441","","","","","","1.042","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244938","6.3519","0.0006","6.3675","0.0005","21.247","0.0011","86.182","0.005","83.257","0.006","63.396","0.009","762.95","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","BTDS-tBuA","","- C14 H18 N O3 S2 -","- C14 H18 N O3 S2 -","- C28 H36 N2 O6 S4 -","2","1","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0758","0.0677","","","0.1913","0.203","","","","","","1.05","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244939","16.8387","0.0011","6.0329","0.0004","13.8772","0.001","90","","102.928","0.007","90","","1374","0.17","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BTDBS","","- C24 H30 O12 S4 -","- C24 H30 O12 S4 -","- C48 H60 O24 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.1177","0.064","","","0.1502","0.1816","","","","","","0.927","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244940","23.2637","0.0008","6.0279","0.0002","11.1259","0.0003","90","","97.013","0.003","90","","1548.53","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDS-rac-sec-BuA","","- C28 H34 N2 O6 S4 -","- C27.184 H33.552 N2 O6 S4 -","- C54.368 H67.104 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0575","0.0469","","","0.1404","0.1492","","","","","","1.062","","","","has coordinates,has disorder","275421","2022-05-13","22:39:45",""
"7244941","5.6878","0.0001","7.8658","0.0001","16.9636","0.0002","86.368","0.001","89.98","0.001","89.868","0.001","757.41","0.019","213","","213","","","","","","","","","3","P -1","-P 1","2","","BTDPh","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0615","0.0594","","","0.144","0.1446","","","","","","1.221","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244945","9.0918","0.0007","11.6305","0.0009","13.6079","0.0011","74.944","0.003","89.612","0.003","67.549","0.003","1277.31","0.18","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl2 Co N4 O5 -","- C28 H19 Cl2 Co N4 O5 -","- C56 H38 Cl4 Co2 N8 O10 -","2","1","","Tian, Zhengfang; Moorthy, Shruti; Xiang, Huan; Peng, Peng; You, Maolin; Zhang, Qian; Yang, Shun-Yi; Zhang, Yang-Lu; Wu, Dong-Qing; Singh, Saurabh Kumar; Shao, Dong","Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(ii) coordination polymers via distinct dicarboxylates","CrystEngComm","2022","","","","","10.1039/D2CE00437B","","","0.71073","MoKα","","0.0443","0.0355","","","0.0927","0.0988","","","","","","1.026","","","","has coordinates","275493","2022-05-17","22:34:04",""
"7244946","8.475","0.0006","11.172","0.0008","13.5758","0.001","101.581","0.003","91.522","0.003","100.108","0.002","1237.13","0.16","189.98","","189.98","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Co N4 O4 -","- C32 H21 Co N4 O4 -","- C64 H42 Co2 N8 O8 -","2","1","","Tian, Zhengfang; Moorthy, Shruti; Xiang, Huan; Peng, Peng; You, Maolin; Zhang, Qian; Yang, Shun-Yi; Zhang, Yang-Lu; Wu, Dong-Qing; Singh, Saurabh Kumar; Shao, Dong","Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(ii) coordination polymers via distinct dicarboxylates","CrystEngComm","2022","","","","","10.1039/D2CE00437B","","","0.71073","MoKα","","0.0909","0.0692","","","0.1978","0.2163","","","","","","1.055","","","","has coordinates","275493","2022-05-17","22:34:05",""
"7244949","12.7428","0.0006","9.5341","0.0003","8.5326","0.0003","90","","90","","90","","1036.64","0.07","413","5","413","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.059","","","0.0741","0.0761","","","","3.74","3.74","3.24","","","","has coordinates","275527","2022-05-18","22:41:06",""
"7244950","12.7477","0.0005","9.5347","0.0003","8.5287","0.0003","90","0.003","90","0.003","90","0.003","1036.63","0.06","393","5","393","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.0599","","","0.0744","0.0761","","","","3.73","3.73","3.21","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244951","12.7504","0.0005","9.537","0.0003","8.5317","0.0003","90","","90","","90","","1037.46","0.06","383","4","383","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.9992 B6 I O10 -","- Ag11.9968 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0798","0.0596","","","0.0716","0.0732","","","","3.69","3.69","3.16","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244952","12.7702","0.0006","9.5617","0.0004","8.5156","0.0004","90","","90","","90","","1039.8","0.08","573","0.5","573","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1187","0.0581","","","0.0571","0.0628","","","","3.16","3.16","2.39","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244953","12.8162","0.0006","9.9063","0.0005","7.6762","0.0004","90","","90","","90","","974.58","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B6 I Na3 O10 -","- B6 I Na3 O10 -","- B24 I4 Na12 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0394","0.0277","","","0.0296","0.0309","","","","1.44","1.44","1.33","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244954","12.7566","0.0015","9.705","0.0012","8.4295","0.001","90","","90","","90","","1043.6","0.2","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0471","0.0311","","","0.0358","0.0378","","","","1.83","1.83","1.66","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244955","12.7726","0.0007","9.5739","0.0005","8.4899","0.0005","90","","90","","90","","1038.18","0.1","673","0.6","673","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.998 B6 I O10 -","- Ag11.992 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1045","0.0598","","","0.0631","0.0681","","","","3","3","2.37","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244959","18.2765","0.0012","6.1664","0.0003","35.009","0.002","90","","90.6002","0.0019","90","","3945.3","0.4","290","1","290","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","","Kim, Paul; Lee, In-Seo; Kim, Ji-Yoon; Mswahili, Medard E.; Jeong, Young-Seob; Yoon, Woo-Jin; Yun, Ho-Seop; Lee, Min-Jeong; Choi, Guang J.","A study to discover novel pharmaceutical cocrystals of pelubiprofen with a machine learning approach compared","CrystEngComm","2022","","","","","10.1039/D2CE00153E","","","0.7107","MoKα","","0.1105","0.0489","","","0.1314","0.1792","","","","","","1.133","","","","has coordinates","275560","2022-05-19","22:32:49",""
"7244960","6.2836","0.0013","10.928","0.002","12.159","0.002","108.19","0.03","99.76","0.03","104.73","0.03","738.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cl N2 O3 -","- C15 H15 Cl N2 O3 -","- C30 H30 Cl2 N4 O6 -","2","1","","Lazić, Anita; Radovanović, Lidija; Gak Simić, Kristina; Rogan, Jelena; Janjić, Goran; Trišović, Nemanja; Đorđević, Ivana","Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group","CrystEngComm","2022","","","","","10.1039/D2CE00376G","","","0.71073","MoKα","","0.0821","0.0548","","","0.1157","0.1288","","","","","","1.031","","","","has coordinates,has disorder","275561","2022-05-19","22:33:25",""
"7244961","6.6479","0.0013","10.089","0.002","12.122","0.002","106.54","0.03","100.99","0.03","91.53","0.03","762.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C30 H30 Br2 N4 O6 -","2","1","","Lazić, Anita; Radovanović, Lidija; Gak Simić, Kristina; Rogan, Jelena; Janjić, Goran; Trišović, Nemanja; Đorđević, Ivana","Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group","CrystEngComm","2022","","","","","10.1039/D2CE00376G","","","0.71073","MoKα","","0.0774","0.0563","","","0.1194","0.1303","","","","","","1.032","","","","has coordinates,has disorder","275561","2022-05-19","22:33:25",""
"7244965","10.1212","0.0003","10.9593","0.0003","15.0495","0.0004","99.2496","0.0019","96.1945","0.0017","107.955","0.0016","1545.16","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 Co N4 O9 -","- C31 H36 Co N4 O9 -","- C62 H72 Co2 N8 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.1239","0.0559","","","0.1012","0.1207","","","","","","1.004","","","","has coordinates","275587","2022-05-20","22:45:33",""
"7244966","10.166","0.0012","10.6958","0.0012","11.4013","0.0013","95.187","0.003","93.313","0.003","93.016","0.002","1230.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Co1.5 N2 O12 -","- C21 H30 Co1.5 N2 O12 -","- C42 H60 Co3 N4 O24 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0632","0.0433","","","0.1044","0.1139","","","","","","1.039","","","","has coordinates","275587","2022-05-20","22:45:34",""
"7244967","15.0213","0.0015","15.7466","0.0015","16.7676","0.0016","88.056","0.005","70.721","0.004","86.869","0.005","3737.6","0.6","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H94 Co2 N8 O29 -","- C62 H94 Co2 N8 O29 -","- C124 H188 Co4 N16 O58 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0935","0.0539","","","0.1409","0.1644","","","","","","1.033","","","","has coordinates","275587","2022-05-20","22:45:34",""
"7244968","17.2258","0.0006","17.7139","0.0005","20.0489","0.0006","90","","97.2443","0.0017","90","","6068.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Co3 N4 O24 -","- C50 H73.5 Co3 N4 O24 -","- C200 H294 Co12 N16 O96 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0824","0.0791","","","0.1735","0.1752","","","","","","1.054","","","","has coordinates,has disorder","275587","2022-05-20","22:45:34",""
"7244974","16.21","0.002","10.5207","0.0016","6.336","0.0009","90","","90","","90","","1080.5","0.3","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0566","0.048","","","0.1277","0.1333","","","","","","0.979","","","","has coordinates,has disorder","275628","2022-05-24","22:30:44",""
"7244975","16.3415","0.001","10.6382","0.0006","6.3897","0.0004","90","","90","","90","","1110.81","0.12","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd -","- C8 H14 N4 O4 Pd -","- C32 H56 N16 O16 Pd4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.0207","","","0.0592","0.06","","","","","","1.093","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244976","16.2744","0.0011","10.6919","0.0007","6.3727","0.0004","90","","90","","90","","1108.88","0.13","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pt -","- C8 H14 N4 O4 Pt -","- C32 H56 N16 O16 Pt4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.017","","","0.0439","0.0456","","","","","","1.111","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244977","10.5843","0.0008","16.3239","0.0011","6.3513","0.0004","90","","90","","90","","1097.36","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.54 O4 Pt0.45 -","- C8 H14 N4 Ni0.551 O4 Pt0.449 -","- C32 H56 N16 Ni2.204 O16 Pt1.796 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0303","0.0229","","","0.0542","0.0561","","","","","","1.123","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244978","10.5483","0.0007","16.3439","0.001","6.3648","0.0004","90","","90","","90","","1097.29","0.12","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.6 O4 Pd0.4 -","- C8 H14 N4 Ni0.599 O4 Pd0.401 -","- C32 H56 N16 Ni2.396 O16 Pd1.604 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0251","0.0219","","","0.0538","0.0554","","","","","","1.103","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244979","16.3923","0.0012","10.6456","0.0007","6.398","0.0004","90","","90","","90","","1116.49","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd0.5 Pt0.5 -","- C8 H14 N4 O4 Pd0.507 Pt0.493 -","- C32 H56 N16 O16 Pd2.028 Pt1.972 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0277","0.0214","","","0.0572","0.0605","","","","","","1.089","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244980","27.174","0.007","40.969","0.012","41.406","0.012","90","","90","","90","","46097","2","190","1","190","1","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","nanocage-1","","- C408 H548 Cd24 N24 Nd8 O144 -","- C408 H548 Cd24 N24 Nd8 O144 -","- C816 H1096 Cd48 N48 Nd16 O288 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Liu, Xiaoming; Schipper, Desmond","A high-nuclearity Cd(II)-Nd(III) nanocage for the rapid ratiometric fluorescent detection of quercetin","CrystEngComm","2022","","","","","10.1039/D2CE00556E","","","0.71073","MoKα","","0.2066","0.0994","","","0.2103","0.2359","","","","","","1.046","","","","has coordinates","275629","2022-05-24","22:31:52",""
"7244981","29.8693","0.0016","29.8693","0.0016","21.918","0.003","90","","90","","90","","19555","3","190","1","190","1","","","","","","","","6","P 4 n c","P 4 -2n","104","","cluster-1","","- C272 H264 Cd8 N16 O68 Tb4 -","- C272 H264 Cd8 N16 O68 Tb4 -","- C544 H528 Cd16 N32 O136 Tb8 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Cd8Tb4 nanoring for luminescence response to 2,6-dipicolinic acid as an anthrax biomarker","CrystEngComm","2022","","","","","10.1039/D2CE00502F","","","0.71073","MoKα","","0.2175","0.098","","","0.174","0.2272","","","","","","0.934","","","","has coordinates","275630","2022-05-24","22:32:26",""
"7244987","12.377","0.003","9.4953","0.0013","10.2036","0.0015","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H22.5 Fe N7.5 O3.5 -","- C22.5 H22.5 Fe N7.5 O3.5 -","- C45 H45 Fe2 N15 O7 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.1393","0.0775","","","0.1142","0.1381","","","","","","1","","","","has coordinates,has disorder","275659","2022-05-26","22:30:49",""
"7244988","12.2124","0.0005","9.47","0.0004","10.267","0.0006","90","","90","","90","","1187.39","0.1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H24 Co N8 O3 -","- C24 H24 Co N8 O3 -","- C48 H48 Co2 N16 O6 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.0537","0.0421","","","0.077","0.0828","","","","","","1.003","","","","has coordinates,has disorder","275659","2022-05-26","22:30:50",""
"7244989","5.692","0.001","10.588","0.002","10.925","0.002","90","","93.14","0.03","90","","657.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 Br2 N O5 -","- C9 H13 Br2 N O5 -","- C18 H26 Br4 N2 O10 -","2","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.7","Synchrotron","","0.0446","0.0445","","","0.1096","0.1097","","","","","","1.139","","","","has coordinates","275660","2022-05-26","22:31:26",""
"7244990","7.3436","0.0002","7.4422","0.0002","20.8254","0.0007","90","","90","","90","","1138.16","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cl2 N O4 -","- C9 H11 Cl2 N O4 -","- C36 H44 Cl8 N4 O16 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.71073","MoKα","","0.0186","0.0181","","","0.0505","0.0508","","","","","","1.078","","","","has coordinates","275660","2022-05-26","22:31:27",""
"7244991","12.3437","0.0015","8.2271","0.001","22.439","0.003","90","","102.322","0.002","90","","2226.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TORASEMIDE FUMARATE (1:1) SALT","","- C20 H24 N4 O7 S -","- C20 H24 N4 O7 S -","- C80 H96 N16 O28 S4 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0555","0.0496","","","0.1273","0.1318","","","","","","1.094","","","","has coordinates","275671","2022-05-27","22:30:24",""
"7244992","8.9904","0.001","11.8567","0.0013","18.285","0.002","90","","102.807","0.002","90","","1900.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TORASEMIDE OXALATE SALT","","- C17 H21 N4 O5 S -","- C17 H21 N4 O5 S -","- C68 H84 N16 O20 S4 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0666","0.0614","","","0.1355","0.1384","","","","","","1.207","","","","has coordinates","275671","2022-05-27","22:30:32",""
"7244993","20.8221","0.0017","12.0329","0.001","17.7085","0.0015","90","","113.465","0.001","90","","4070","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.56 H44.24 N8 O10.56 S2 -","- C34.56 H44.24 N8 O10.56 S2 -","- C138.24 H176.96 N32 O42.24 S8 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0775","0.0578","","","0.1399","0.1506","","","","","","1.104","","","","has coordinates,has disorder","275671","2022-05-27","22:30:39",""
"7244994","23.557","0.003","23.557","0.003","12.4259","0.0016","90","","90","","90","","6895.5","1.5","123","2","123","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C16.61 H102.08 Cl N O33.04 -","- C16.6111 H85.293 Cl1.026 N O34.2641 -","- C83.0556 H426.465 Cl5.13 N5 O171.32 -","5","0.625","","Muromachi, Sanehiro; Takeya, Satoshi; Alavi, Saman; Ripmeester, John A.","Structural CO2 capture preference of semiclathrate hydrate formed with tetra-n-butylammonium chloride","CrystEngComm","2022","","","","","10.1039/D2CE00598K","","","0.7107","MoKα","","0.0877","0.0595","","","0.1563","0.1746","","","","","","1.03","","","","has coordinates,has disorder","275672","2022-05-27","22:31:28",""
"7244995","12.15","0.0002","13.1041","0.0002","13.7735","0.0002","90","","112.503","0.002","90","","2025.97","0.06","292.1","0.8","292.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Cl N2.5 -","- C12 H5.5 Cl N2.5 -","- C96 H44 Cl8 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0428","0.0418","","","0.1194","0.1208","","","","","","1.065","","","","has coordinates","275673","2022-05-27","22:32:10",""
"7244996","12.3323","0.0004","13.1469","0.0003","13.9845","0.0005","90","","113.945","0.004","90","","2072.19","0.13","293.74","0.1","293.74","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Br N2.5 -","- C12 H5.5 Br0.9999 N2.5 -","- C96 H44 Br7.9992 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0951","0.0963","","","","","","1.135","","","","has coordinates,has disorder","275673","2022-05-27","22:32:10",""
"7244998","11.6739","0.0009","16.4155","0.0012","9.8625","0.0007","90","","108.505","0.002","90","","1792.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O10 -","- C16 H16 N4 O10 -","- C64 H64 N16 O40 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1125","0.0554","","","0.099","0.1184","","","","","","1.056","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7244999","29.0184","0.0013","9.5952","0.0005","16.245","0.0008","90","","120.293","0.001","90","","3905.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cd N4 O11 -","- C17 H14 Cd N4 O11 -","- C136 H112 Cd8 N32 O88 -","8","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0705","0.037","","","0.0609","0.0692","","","","","","1.017","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7245000","8.0763","0.0004","13.5075","0.0007","14.4614","0.0007","102.125","0.002","98.222","0.002","105.058","0.002","1456.47","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cu N4 O12 -","- C17 H16 Cu N4 O12 -","- C34 H32 Cu2 N8 O24 -","2","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1024","0.079","","","0.1826","0.1936","","","","","","1.021","","","","has coordinates","275692","2022-05-30","22:37:47",""
"7245001","11.2472","0.0005","29.3","0.0016","13.5309","0.0007","90","","104.223","0.002","90","","4322.3","0.4","172","2","172","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H35 N9 Nd O23 -","- C37 H35 N9 Nd O23 -","- C148 H140 N36 Nd4 O92 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0596","0.04","","","0.0582","0.0628","","","","","","1.032","","","","has coordinates,has disorder","275692","2022-05-30","22:37:47",""
"7245002","12.5032","0.0004","16.2167","0.0005","16.3789","0.0006","90","","105.745","0.004","90","","3196.39","0.19","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O2 S2 Sn -","- C32 H36 N4 O2 S2 Sn -","- C128 H144 N16 O8 S8 Sn4 -","4","1","","Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd.","New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00536K","","x-ray","0.71073","MoKα","","0.0651","0.0453","","","0.0887","0.0961","","","","","","1.082","","","","has coordinates,has disorder","275693","2022-05-30","22:38:41",""
"7245003","12.7211","0.0013","15.4901","0.0011","15.5655","0.0016","90","","106.496","0.011","90","","2941","0.5","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N4 O2 S2 Sn -","- C30 H32 N4 O2 S2 Sn -","- C120 H128 N16 O8 S8 Sn4 -","4","1","","Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd.","New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00536K","","x-ray","0.71073","MoKα","","0.1203","0.0654","","","0.1257","0.1502","","","","","","1.041","","","","has coordinates,has disorder","275693","2022-05-30","22:38:41",""
"7245004","12.018","0.002","12.018","0.002","12.018","0.002","90","","90","","90","","1735.8","0.5","210","2","210","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Cr K N8 -","- C12 H15.9984 Cr K N7.9992 -","- C48 H63.9936 Cr4 K4 N31.9968 -","4","0.0208333","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.0322","0.0309","","","0.0951","0.0976","","","","","","1.141","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245005","14.12","0.003","8.627","0.003","14.871","0.002","90","","110.7","0.02","90","","1694.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cr K N8 -","- C12 H16 Cr K N8 -","- C48 H64 Cr4 K4 N32 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.1033","0.0818","","","0.2215","0.2487","","","","","","1.078","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245006","11.843","0.002","11.843","0.002","11.843","0.002","90","","90","","90","","1661.1","0.5","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Fe K N8 -","- C12 H15.9984 Fe K N7.9992 -","- C48 H63.9936 Fe4 K4 N31.9968 -","4","0.0208333","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.0393","0.0389","","","0.0969","0.0973","","","","","","1.232","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245007","9.5395","0.0005","13.2797","0.0007","20.6305","0.0012","90","","99.679","0.003","90","","2576.3","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0603","0.0457","","","0.118","0.1334","","","","","","1.051","","","","has coordinates","275707","2022-05-31","22:36:52",""
"7245008","16.5185","0.0006","9.3246","0.0003","12.658","0.0005","90","","90","","90","","1949.69","0.12","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0355","0.0317","","","0.081","0.0838","","","","","","1.038","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245009","8.8567","0.0005","12.359","0.0007","18.2675","0.001","90","","100.8","0.002","90","","1964.14","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0476","0.0397","","","0.1041","0.111","","","","","","1.03","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245010","17.3469","0.001","11.0693","0.0007","25.0564","0.0014","90","","90","","90","","4811.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.069","0.0503","","","0.1223","0.1375","","","","","","1.023","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245011","5.765","0.003","7.688","0.004","18.142","0.009","80.692","0.008","84.686","0.007","71.676","0.007","752.5","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N2 S4 -","- C34 H40 N2 S4 -","- C34 H40 N2 S4 -","1","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","","0.71073","MoKα","","0.1232","0.113","","","0.3653","0.3859","","","","","","1.603","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245012","16.4937","0.0015","4.7436","0.0004","18.9806","0.0018","90","","106.926","0.005","90","","1420.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","1.54178","CuKα","","0.078","0.0516","","","0.1224","0.1354","","","","","","0.969","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245013","5.1067","0.0009","7.168","0.0008","20.766","0.003","80.476","0.004","86.864","0.006","86.423","0.005","747.44","0.19","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","1","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","0.71073","MoKα","","0.0479","0.0394","","","0.0876","0.092","","","","","","1.064","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245014","26.416","0.003","5.6442","0.0005","29.724","0.003","90","","103.328","0.003","90","","4312.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 S4 -","- C32 H36 N2 S4 -","- C192 H216 N12 S24 -","6","1.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","0.71073","MoKα","","0.0754","0.053","","","0.1018","0.1096","","","","","","1.084","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245015","10.269","0.007","10.62","0.006","18.045","0.012","100.31","0.012","95.681","0.012","108.82","0.011","1807","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","JLNU-104","","- C83 H76 Mn3 N3 O25.5 -","- C76 H52 Mn3 O24 -","- C76 H52 Mn3 O24 -","1","0.5","","Zhou, Shi; Yan, Guosong; Gao, Baihui; Jiang, Wei; Liu, Bo; Zhou, Tianyu; Liu, Chunbo; Che, Guangbo","A layered Mn-based coordination polymer as an efficient heterogeneous catalyst for CO2 cycloaddition under mild condition","CrystEngComm","2022","","","","","10.1039/D2CE00579D","","","0.71073","MoKα","","0.1877","0.1264","","","0.3214","0.3393","","","","","","1.237","","","","has coordinates","275709","2022-05-31","22:38:33",""
"7245016","17.4522","0.0005","31.6114","0.0007","18.0196","0.0003","90","","107.351","0.002","90","","9488.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N3 O22.5 Sm2 -","- C34 H23 N3 O18.5 Sm2 -","- C272 H184 N24 O148 Sm16 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.0681","0.0564","","","0.1809","0.1913","","","","","","1.062","","","","has coordinates,has disorder","275725","2022-06-01","22:42:55",""
"7245017","17.5877","0.0012","31.5073","0.0011","17.9802","0.0007","90","","107.005","0.005","90","","9528","0.9","293.7","0.3","293.7","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Gd2 N3 O18 -","- C34 H23 Gd2 N3 O18 -","- C272 H184 Gd16 N24 O144 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.1224","0.0703","","","0.1224","0.1423","","","","","","0.965","","","","has coordinates","275725","2022-06-01","22:42:55",""
"7245018","17.5969","0.0012","31.6237","0.0015","18.0245","0.0015","90","","107.037","0.008","90","","9590.1","1.2","291.07","0.1","291.07","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Eu2 N3 O19 -","- C34 H25 Eu2 N3 O19 -","- C272 H200 Eu16 N24 O152 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.1698","0.0938","","","0.223","0.242","","","","","","1.33","","","","has coordinates","275725","2022-06-01","22:42:55",""
"7245019","17.6182","0.0012","31.3835","0.0012","17.868","0.0013","90","","106.722","0.008","90","","9461.8","1.1","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N3 O28 Tb2 -","- C34 H18 N3 O28 Tb2 -","- C272 H144 N24 O224 Tb16 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","","0.71073","MoKα","","0.1537","0.0852","","","0.1298","0.1493","","","","","","1.156","","","","has coordinates","275725","2022-06-01","22:42:56",""
"7245020","7.574","0.002","21.682","0.004","5.165","0.001","90","","94.22","0.02","90","","845.9","0.3","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","- C20 H40 N8 O16 P4 -","2","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0647","0.0467","","","0.1174","0.1257","","","","","","1.074","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245021","10.06","0.002","11.679","0.003","11.18","0.003","90","","100.07","0.02","90","","1293.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N8 O6 P2 -","- C20 H28 N8 O6 P2 -","- C40 H56 N16 O12 P4 -","2","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0602","0.056","","","0.1498","0.1557","","","","","","1.068","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245022","15.716","0.002","17.045","0.002","13.827","0.002","90","","100.46","0.01","90","","3642.4","0.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 N8 O20 P6 -","- C20 H40 N8 O20 P6 -","- C80 H160 N32 O80 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0347","0.0312","","","0.0778","0.0797","","","","","","1.049","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245023","7.528","0.002","8.333","0.002","9.306","0.003","107.37","0.03","105.74","0.02","102.95","0.02","505.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O12 P4 -","- C10 H20 N4 O12 P4 -","- C10 H20 N4 O12 P4 -","1","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0371","0.037","","","0.099","0.0991","","","","","","1.103","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245024","14.254","0.002","14.405","0.002","11.118","0.002","90","","91.81","0.02","90","","2281.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C60 H96 N24 O36 P12 -","6","1.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.158","0.0844","","","0.2148","0.2437","","","","","","1.066","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245025","13.737","0.005","10.658","0.003","24.822","0.009","90","","97.5","0.03","90","","3603","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36.8 N8 O18.4 P6 -","- C20 H36.734 N8 O18.367 P6 -","- C80 H146.936 N32 O73.468 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.1042","0.0949","","","0.2841","0.2951","","","","","","1.067","","","","has coordinates,has disorder","275726","2022-06-01","22:44:50",""
"7245026","13.706","0.005","10.656","0.004","24.802","0.007","90","","96.61","0.03","90","","3598","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36.2 N8 O18.1 P6 -","- C20 H36.212 N8 O18.106 P6 -","- C80 H144.848 N32 O72.424 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.1628","0.0802","","","0.2169","0.2674","","","","","","1.037","","","","has coordinates,has disorder","275726","2022-06-01","22:44:50",""
"7245030","16.8282","0.0006","10.4619","0.0004","9.5748","0.0004","90","","100.788","0.004","90","","1655.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Chowdhury, Srayoshi Roy; Haldar, Debasish","A γ-turn mimetic for selective sensing of Cu(ii) and a combinatorial multiple logic gate","CrystEngComm","2022","","","","","10.1039/D2CE00462C","","","0.71073","MoKα","","0.0528","0.0443","","","0.1071","0.1128","","","","","","1.096","","","","has coordinates","275842","2022-06-06","22:39:02",""
"7245031","8.8287","0.0002","9.7039","0.0003","16.4007","0.0004","90","","93.677","0.003","90","","1402.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Br2 N2 O2 -","- C28 H48 Br2 N2 O2 -","- C56 H96 Br4 N4 O4 -","2","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","0.71073","MoKα","","0.0443","0.0305","","","0.0615","0.0676","","","","","","1.001","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245032","8.8271","0.0011","13.4405","0.0014","18.04","0.002","90","","90","","90","","2140.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Br2 N4 O2 -","- C20 H26 Br2 N4 O2 -","- C80 H104 Br8 N16 O8 -","4","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","1.54178","CuKα","","0.1382","0.1041","","","0.2452","0.2709","","","","","","1.015","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245033","10.9774","0.0002","9.2537","0.0001","20.6183","0.0003","90","","99.24","0.001","90","","2067.26","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br2 N4 O -","- C20 H24 Br2 N4 O -","- C80 H96 Br8 N16 O4 -","4","1","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","0.71073","MoKα","","0.042","0.0293","","","0.0629","0.0679","","","","","","1.001","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245038","5.88","0.02","7.98","0.02","10.6","0.02","109.01","0.12","98.48","0.12","93.59","0.21","462","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenoxazine","","- C12 H10 N O -","- C12 H10 N O -","- C24 H20 N2 O2 -","2","1","","Kaltenegger, Martin; Hofer, Sebastian; Resel, Roland; Werzer, Oliver; Riegler, Hans; Simbrunner, Josef; Winkler, Christian; Geerts, Yves; Liu, Jie","Engineering of a kinetically driven phase of phenoxazine by surface crystallisation","CrystEngComm","2022","","","","","10.1039/D2CE00479H","","","1.4","synchrotron_radiation","","","","","","","","","","","","","","","","","has coordinates","275885","2022-06-07","22:36:38",""
"7245039","12.9072","0.0007","6.2378","0.0003","19.2643","0.001","90","","98.396","0.002","90","","1534.39","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Hg2 O8 -","- C16 H10 Hg2 O8 -","- C64 H40 Hg8 O32 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE00347C","","","0.71073","MoKα","","0.0197","0.0181","","","0.0395","0.0401","","","","","","1.146","","","","has coordinates","275886","2022-06-07","22:37:42",""
"7245040","8.8968","0.0003","16.8278","0.0007","15.914","0.0007","90","","96.543","0.002","90","","2367.02","0.16","298","2","297.65","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Ni O4 P2 S4 -","- C54 H44 Ni O4 P2 S4 -","- C108 H88 Ni2 O8 P4 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0497","0.0378","","","0.0869","0.0934","","","","","","1.046","","","","has coordinates","275945","2022-06-09","22:37:37",""
"7245041","8.8748","0.0003","16.807","0.0005","15.6789","0.0005","90","","96.144","0.001","90","","2325.21","0.13","120","2","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 P2 Pt S4 -","- C54 H44 O4 P2 Pt S4 -","- C108 H88 O8 P4 Pt2 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0394","0.0261","","","0.0435","0.0466","","","","","","1.037","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245042","8.887","0.004","16.831","0.007","15.724","0.009","90","","96.01","0.02","90","","2339","2","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 P2 Pd S4 -","- C54 H44 O4 P2 Pd S4 -","- C108 H88 O8 P4 Pd2 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0409","0.03","","","0.0609","0.0694","","","","","","1.114","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245043","8.7497","0.0005","10.1139","0.0006","16.8551","0.001","81.465","0.002","75.796","0.002","81.299","0.002","1419.65","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H50 Cl6 O4 P2 Pd S4 -","- C57 H50 Cl6 O4 P2 Pd S4 -","- C57 H50 Cl6 O4 P2 Pd S4 -","1","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0276","","","0.0638","0.0675","","","","","","1.056","","","","has coordinates,has disorder","275945","2022-06-09","22:37:38",""
"7245044","11.0025","0.0009","13.2382","0.0011","18.4636","0.0015","69.239","0.003","77.795","0.003","73.53","0.003","2393","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 As2 Ni O4 S4 -","- C52 H40 As2 Ni O4 S4 -","- C104 H80 As4 Ni2 O8 S8 -","2","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0349","0.0261","","","0.0673","0.0712","","","","","","1.028","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245045","11.3511","0.0007","14.5086","0.001","7.8221","0.0004","90","","90","","90","","1288.21","0.14","120","2","120.01","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C56 H40 O8 S8 -","4","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0332","0.0263","","","0.0544","0.06","","","","","","1.112","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245046","10.939","0.003","13.206","0.003","18.371","0.005","110.997","0.01","89.98","0.011","106.566","0.01","2359.4","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 As2 O4 Pt S4 -","- C52 H40 As2 O4 Pt S4 -","- C104 H80 As4 O8 Pt2 S8 -","2","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0158","0.0137","","","0.0399","0.0409","","","","","","0.921","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245047","10.4267","0.0005","52.731","0.002","13.8477","0.0006","90","","100.58","0.002","90","","7484.2","0.6","120","2","119.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H46 As2 Ni O5 S4 -","- C55 H46 As2 Ni O5 S4 -","- C330 H276 As12 Ni6 O30 S24 -","6","3","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0305","","","0.0688","0.0694","","","","","","1.076","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245058","13.3653","0.0002","14.7692","0.0002","20.6731","0.0003","90","","90","","90","","4080.76","0.1","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cd2 N6 O10 -","- C34 H32 Cd2 N6 O10 -","- C136 H128 Cd8 N24 O40 -","4","1","","Das, Aniruddha; Ghosh, Subhrajyoti; Bourda, Laurens; SK, Mostakim; Banerjee, Kaustuv; Van Hecke, Kristof; Biswas, Shyam","A Cd(ii)-organic framework as a highly sensitive and rapid fluorometric sensor for ascorbic acid in aqueous medium","CrystEngComm","2022","","","","","10.1039/D2CE00654E","","x-ray","0.71073","MoKα","","0.041","0.0342","","","0.0816","0.0852","","","","","","1.041","","","","has coordinates","276006","2022-06-13","22:35:04",""
"7245059","25.0011","0.0007","15.7369","0.0005","8.9768","0.0003","90","","93.853","0.001","90","","3523.85","0.19","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H8.5 Fe N11.5 -","- C13 H8.5 Fe N11.5 -","- C104 H68 Fe8 N92 -","8","1","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0882","0.0529","","","0.1475","0.1517","","","","","","1.011","","","","has coordinates,has disorder","276007","2022-06-13","22:36:08",""
"7245060","9.0881","0.0002","8.2891","0.0002","13.1987","0.0003","90","","103.114","0.001","90","","968.36","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N10 Ni -","- C20 H16 N10 Ni -","- C40 H32 N20 Ni2 -","2","0.5","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0553","0.0342","","","0.0763","0.0898","","","","","","1.018","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245061","9.1691","0.0004","8.2275","0.0004","13.2721","0.0006","90","","102.521","0.002","90","","977.42","0.08","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Fe N10 -","- C20 H16 Fe N10 -","- C40 H32 Fe2 N20 -","2","0.5","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.074","0.0398","","","0.0785","0.1052","","","","","","0.998","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245062","7.5557","0.0006","11.9271","0.001","14.1205","0.0011","80.696","0.003","83.397","0.003","72.522","0.003","1194.8","0.17","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cu N8 O2.5 -","- C27 H17 Cu N8 O2.5 -","- C54 H34 Cu2 N16 O5 -","2","1","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0736","0.0535","","","0.1091","0.1172","","","","","","1.097","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245063","12.2316","0.0006","13.1085","0.0007","18.7874","0.001","96.162","0.002","103.516","0.002","99.484","0.002","2855.3","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Cu N10 -","- C20 H16 Cu N10 -","- C120 H96 Cu6 N60 -","6","3","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0999","0.0541","","","0.1258","0.1842","","","","","","0.993","","","","has coordinates","276007","2022-06-13","22:36:09",""
"7245064","14.8274","0.0004","8.1697","0.0001","15.5656","0.0004","90","","114.139","0.002","90","","1720.67","0.07","288","2","288","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxy-3-(4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)- 4H-chromen-4-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.043","0.0397","","","0.112","0.1168","","","","","","1.04","","","","has coordinates","276008","2022-06-13","22:37:10",""
"7245065","17.9139","0.0002","14.6001","0.0004","6.6911","0.0007","90","","90","","90","","1750.02","0.19","210","2","210","","","","","","","","","3","P n a 21","P 2c -2n","33","","3-(3-allyl-4-methoxyphenyl)-7-(methoxymethoxy)-4H-chromen-4-one","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0584","0.0427","","","0.1062","0.1137","","","","","","1.039","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245066","8.0184","0.0016","8.4831","0.0017","11.867","0.002","104.02","0.03","94.03","0.03","101.24","0.03","762.3","0.3","210","2","210","","","","","","","","","3","P -1","-P 1","2","","3-(3-allyl-4-methoxyphenyl)-7-hydroxy-4H-chromen-4-one","","- C19 H16 O4 -","- C19 H16 O4 -","- C38 H32 O8 -","2","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0638","0.0465","","","0.1322","0.1422","","","","","","1.082","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245072","7.421","0.003","9.209","0.004","9.781","0.004","84.786","0.006","68.478","0.006","73.697","0.005","596.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd2 N4 O8 -","- C22 H20 Cd2 N4 O8 -","- C22 H20 Cd2 N4 O8 -","1","0.5","","Zhou, Ling-Peng; Yan, Jing-Wen; Wang, Jun; Chi, Xiang; Afzal, Mohd; Alarifi, Abdullah; Srivatava, Devyani; Kumar, Abhinav","Efficient photodegradation of dyes by a new 3D Cd(ii) MOF with a rare fsh topology","CrystEngComm","2022","","","","","10.1039/D2CE00590E","","","0.71073","MoKα","","0.0695","0.0603","","","0.1697","0.1747","","","","","","1.127","","","","has coordinates","276030","2022-06-14","22:34:45",""
"7245073","48.277","0.009","48.277","0.009","13.116","0.003","90","","90","","120","","26474","9","296.15","","296.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C29 H12 Co2 N O12 -","- C29 H12 Co2 N O12 -","- C522 H216 Co36 N18 O216 -","18","0.5","","Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei","Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE00553K","","","0.71073","MoKα","","0.1143","0.0845","","","0.2387","0.2695","","","","","","1.038","","","","has coordinates,has disorder","276031","2022-06-14","22:35:26",""
"7245074","31.747","0.003","13.0267","0.0011","26.875","0.002","90","","113.67","0.001","90","","10179.4","1.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co7 N2 O34 -","- C58 H40 Co7 N2 O34 -","- C232 H160 Co28 N8 O136 -","4","0.5","","Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei","Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE00553K","","","0.71073","MoKα","","0.0585","0.0476","","","0.1469","0.1558","","","","","","1.051","","","","has coordinates,has disorder","276031","2022-06-14","22:35:27",""
"7245082","5.9198","0.0016","7.67","0.002","22.977","0.006","90","","96.417","0.006","90","","1036.7","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O S2 -","- C12 H8 O S2 -","- C48 H32 O4 S8 -","4","1","","Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi","An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance","CrystEngComm","2022","","","","","10.1039/D2CE00644H","","","0.71075","MoKα","","0.0756","0.0705","","","0.1933","0.1985","","","","","","1.078","","","","has coordinates","276086","2022-06-17","22:38:20",""
"7245083","5.9049","0.0011","7.6579","0.0014","23.865","0.005","90","","95.872","0.003","90","","1073.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 S3 -","- C12 H8 S3 -","- C48 H32 S12 -","4","1","","Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi","An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance","CrystEngComm","2022","","","","","10.1039/D2CE00644H","","","0.71075","MoKα","","0.0367","0.0355","","","0.095","0.0961","","","","","","1.088","","","","has coordinates","276086","2022-06-17","22:38:21",""
"7245086","4.7948","0.0002","10.5652","0.0005","12.8318","0.0006","83.206","0.002","81.269","0.002","87.894","0.002","637.87","0.05","294","2","294","2","","","","","","","","5","P 1","P 1","1","bispentafluor amide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide'","","- C13 H F10 N O -","- C13 H F10 N O -","- C26 H2 F20 N2 O2 -","2","2","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1015","0.0511","","","0.1218","0.1418","","","","","","1.039","","","","has coordinates","276136","2022-06-21","22:32:59",""
"7245087","9.58","0.007","5.8","0.004","20.624","0.017","90","","91.13","0.03","90","","1145.7","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis-pentafluorbenzamide N-phenylbenzamide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide N-phenylbenzamide'","","- C26 H12 F10 N2 O2 -","- C26 H12 F10 N2 O2 -","- C52 H24 F20 N4 O4 -","2","1","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1262","0.1047","","","0.223","0.2359","","","","","","1.033","","","","has coordinates","276136","2022-06-21","22:33:00",""
"7245088","14.5746","0.0002","11.1621","0.0002","22.8957","0.0003","90","","105.211","0.001","90","","3594.25","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H29.5 N10 O7.5 S2 Zn -","- C32.5 H29.5 N10 O7.5 S2 Zn -","- C130 H118 N40 O30 S8 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0762","0.0687","","","0.19","0.1969","","","","","","1.125","","","","has coordinates,has disorder","276137","2022-06-21","22:34:25",""
"7245089","7.4123","0.0006","16.1476","0.0012","14.1477","0.0011","90","","103.092","0.008","90","","1649.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 N4 S Zn -","- C15 H12 Cl2 N4 S Zn -","- C60 H48 Cl8 N16 S4 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","0.71073","MoKα","","0.0737","0.05","","","0.1189","0.1356","","","","","","1.039","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245090","14.4107","0.0003","18.5113","0.0003","14.5162","0.0003","90","","115.481","0.003","90","","3495.68","0.15","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 O S Zn -","- C16 H14 Cl2 N4 O S Zn -","- C128 H112 Cl16 N32 O8 S8 Zn8 -","8","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0444","0.041","","","0.1151","0.1223","","","","","","0.823","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245091","14.3265","0.0008","18.2579","0.0006","14.613","0.0008","90","","117.022","0.007","90","","3405.1","0.4","109","2","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 S Zn -","- C16 H14 Cl2 N4 S Zn -","- C128 H112 Cl16 N32 S8 Zn8 -","8","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0531","0.0465","","","0.1295","0.1338","","","","","","1.025","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245092","14.4925","0.0007","11.9187","0.0004","22.3187","0.001","90","","106.83","0.005","90","","3690","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N10 O10 S2 Zn -","- C33 H29 N10 O10 S2 Zn -","- C132 H116 N40 O40 S8 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0785","0.0666","","","0.1773","0.1872","","","","","","1.075","","","","has coordinates,has disorder","276137","2022-06-21","22:34:26",""
"7245093","10.9908","0.0005","12.5765","0.0005","14.2015","0.0006","108.799","0.004","94.313","0.003","115.023","0.004","1631.88","0.15","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N10 O7 S2 Zn -","- C30 H24 N10 O7 S2 Zn -","- C60 H48 N20 O14 S4 Zn2 -","2","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54179","CuKα","","0.0585","0.0548","","","0.154","0.1585","","","","","","1.095","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245094","13.9085","0.0003","11.5933","0.0006","32.6997","0.0009","90","","93.957","0.002","90","","5260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N2 O12 Zn2 -","- C62 H50 N2 O12 Zn2 -","- C248 H200 N8 O48 Zn8 -","4","1","","Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing","Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer","CrystEngComm","2022","","","","","10.1039/D2CE00496H","","x-ray","0.71073","MoKα","","0.0649","0.0451","","","0.1003","0.1094","","","","","","1.028","","","","has coordinates","276138","2022-06-21","22:35:20",""
"7245095","13.8555","0.0003","11.553","0.0003","32.4314","0.0008","90","","93.67","0.001","90","","5180.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N2 O12 Zn2 -","- C62 H50 N2 O12 Zn2 -","- C248 H200 N8 O48 Zn8 -","4","1","","Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing","Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer","CrystEngComm","2022","","","","","10.1039/D2CE00496H","","","0.71073","MoKα","","0.0681","0.0457","","","0.0929","0.1035","","","","","","1.042","","","","has coordinates","276138","2022-06-21","22:35:20",""
"7245096","12.911","0.0007","14.3489","0.0008","19.9832","0.0011","90","","90","","90","","3702.1","0.4","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.049","0.0343","","","0.074","0.0795","","","","","","1.113","","","","has coordinates","276203","2022-06-23","22:40:19",""
"7245097","9.7863","0.0007","10.7597","0.0008","11.0969","0.0008","70.945","0.003","79.753","0.003","72.218","0.003","1047.71","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cu4 I6 N6 O P2 -","- C24 H48 Cu4 I6 N6 O P2 -","- C24 H48 Cu4 I6 N6 O P2 -","1","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0416","0.0304","","","0.0714","0.075","","","","","","1.102","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245098","12.7246","0.0007","14.1746","0.0007","19.8726","0.0011","90","","90","","90","","3584.3","0.3","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0235","0.0192","","","0.04","0.0415","","","","","","1.039","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245099","49.9843","0.0013","28.7291","0.0006","26.9217","0.0008","90","","96.118","0.002","90","","38439.5","1.7","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","hexakis(4-carboxyphenyl)triquinoxalinehexadehydro[12]annulene N,N-dimethylacetamide methyl benzoate solvate","","- C106 H72.5 N6.5 O20.5 -","- C80 H44 N6 O14.5 -","- C1280 H704 N96 O232 -","16","2","","Kobayashi, Mayu; Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quinoxaline-annelated hexadehydro[12]annulene: Use of a new building block to construct a hydrogen-bonded hexagonal molecular network","CrystEngComm","2022","","","","","10.1039/D2CE00676F","","","1.54187","CuKα","","0.1733","0.0857","","","0.2335","0.2855","","","","","","0.987","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7245100","14.8757","0.0002","9.5734","0.0001","18.7224","0.0002","90","","101.68","0.001","90","","2611.07","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N6 O3.5 -","- C11 H15 N6 O3.5 -","- C88 H120 N48 O28 -","8","2","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka; Wojtulewski, Sławomir; Palusiak, Marcin","Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure","CrystEngComm","2022","","","","","10.1039/D2CE00684G","","","1.54184","CuKα","","0.0435","0.0395","","","0.1039","0.1081","","","","","","1.065","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7245101","10.6489","0.0003","12.0796","0.0003","21.1891","0.0005","95.54","0.002","98.304","0.002","115.065","0.003","2404.96","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H58 N24 O17 -","- C33 H58 N24 O17 -","- C66 H116 N48 O34 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka; Wojtulewski, Sławomir; Palusiak, Marcin","Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure","CrystEngComm","2022","","","","","10.1039/D2CE00684G","","","1.54184","CuKα","","0.0624","0.0539","","","0.1274","0.1341","","","","","","1.038","","","","has coordinates","276297","2022-06-27","22:32:25",""
"7245102","16.2368","0.0006","21.9026","0.0009","14.2576","0.0006","90","","90.123","0.004","90","","5070.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 N4 O21 Zn2 -","- C52 H38 N4 O21 Zn2 -","- C208 H152 N16 O84 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54184","CuKα","","0.1231","0.0575","","","0.1218","0.1604","","","","","","0.997","","","","has coordinates","276298","2022-06-27","22:33:42",""
"7245103","8.1811","0.0003","14.8958","0.0008","15.0957","0.0008","117.148","0.005","99.183","0.004","90.486","0.004","1609.04","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O10 Zn2 -","- C36 H26 N6 O10 Zn2 -","- C72 H52 N12 O20 Zn4 -","2","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0449","0.0355","","","0.0884","0.0954","","","","","","1.034","","","","has coordinates","276298","2022-06-27","22:33:42",""
"7245104","11.222","0.0006","24.6834","0.0015","13.1944","0.0009","90","","108.141","0.007","90","","3473.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O10 Zn2 -","- C36 H24 N4 O10 Zn2 -","- C144 H96 N16 O40 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.1598","0.0762","","","0.1755","0.2238","","","","","","1.005","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245105","13.982","0.0008","8.5001","0.0005","20.1799","0.0018","90","","92.702","0.007","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O9 Zn2 -","- C26 H16 N2 O9 Zn2 -","- C104 H64 N8 O36 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0781","0.0546","","","0.1272","0.1432","","","","","","1.064","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245106","10.8238","0.0007","12.9013","0.0007","13.2592","0.0007","63.377","0.005","85.794","0.005","78.292","0.005","1620.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N4 O9 Zn2 -","- C36 H22 N4 O9 Zn2 -","- C72 H44 N8 O18 Zn4 -","2","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0629","0.045","","","0.1087","0.1215","","","","","","1.022","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245107","5.9031","0.0014","14.188","0.004","20.665","0.005","70.166","0.01","89.202","0.01","83.142","0.011","1615.8","0.7","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bosentan / succinic acid Cocrystal","","- C31 H35 N5 O10 S -","- C31 H35 N5 O10 S -","- C62 H70 N10 O20 S2 -","2","1","","Barbas, Rafael; Portell, Anna; Hunter, Christopher A.; Prohens, Rafel; Frontera, Antonio","Combined computational/experimental investigation of new cocrystals of the drug bosentan","CrystEngComm","2022","","","","","10.1039/D2CE00581F","","","0.71073","MoKα","","0.1388","0.0712","","","0.1516","0.1829","","","","","","1.015","","","","has coordinates,has disorder","276411","2022-06-29","22:38:32",""
"7245108","18.5633","0.0003","9.31515","0.00017","21.2695","0.0004","90","","90","","90","","3677.92","0.11","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H32 I K N8 O14 -","- C28 H32 I K N8 O14 -","- C112 H128 I4 K4 N32 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0641","0.0506","","","0.1378","0.1468","","","","","","1.095","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245109","17.6971","0.0003","18.6927","0.0003","20.9582","0.0004","90","","90","","90","","6933.1","0.2","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 I N7 Na O14 -","- C26 H29 I N7 Na O14 -","- C208 H232 I8 N56 Na8 O112 -","8","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0844","0.0638","","","0.1324","0.1443","","","","","","1.039","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245110","10.6237","0.0003","11.2609","0.0004","15.1068","0.0005","88.389","0.006","82.391","0.006","74.364","0.005","1725","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 I N7 O14 Rb -","- C26 H29 I N7 O14 Rb -","- C52 H58 I2 N14 O28 Rb2 -","2","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0708","0.0573","","","0.117","0.1217","","","","","","1.077","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245111","7.5672","0.0003","22.2189","0.0008","15.2555","0.0006","90","","90","","90","","2564.98","0.17","99","","99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 N5 O14 -","- C22 H23 N5 O14 -","- C88 H92 N20 O56 -","4","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0856","0.054","","","0.1251","0.1395","","","","","","1.079","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245112","9.1532","","17.8073","","16.9471","","90","","105.2","","90","","2665.64","","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cs I N4 O14 -","- C20 H20 Cs I N4 O14 -","- C80 H80 Cs4 I4 N16 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0688","0.0561","","","0.1459","0.1591","","","","","","0.929","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245113","16.8353","0.0004","8.4802","0.0002","23.129","0.0006","90","","110.799","0.008","90","","3086.9","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N4 O6.33333 -","- C20 H28 N4 O6.33333 -","- C120 H168 N24 O38 -","6","3","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0978","0.0707","","","0.2034","0.2282","","","","","","1.059","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7245114","11.1964","0.0002","16.847","0.0004","19.1707","0.0004","90","","90","","90","","3616.09","0.13","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H46 K N4 O24 S3 -","- C20 H20 K N4 O24 S3 -","- C80 H80 K4 N16 O96 S12 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0871","0.0722","","","0.2073","0.2239","","","","","","1.048","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245115","34.7439","0.0009","8.1437","0.0002","23.0281","0.0006","90","","90","","90","","6515.7","0.3","296","","296","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H88 N8 Na Ne0.5 O46 S6 -","- C80 H80 N16 Na O92 S12 -","- C160 H160 N32 Na2 O184 S24 -","2","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.1296","0.0861","","","0.2255","0.2615","","","","","","1.047","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245116","12.892","0.017","9.895","0.013","17.43","0.02","90","0.04","105.86","0.03","90","0.04","2139","5","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0863","0.0429","","","0.1119","0.1393","","","","","","1","","","","has coordinates","276413","2022-06-29","22:42:31",""
"7245117","12.3785","0.0014","9.4933","0.001","16.918","0.002","90","","106.036","0.003","90","","1910.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0507","0.0343","","","0.0914","0.108","","","","","","1.022","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245118","12.3916","0.0009","9.4953","0.0007","16.9063","0.0012","90","","106.072","0.002","90","","1911.5","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0451","0.0329","","","0.0868","0.1017","","","","","","1.063","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245119","13.097","0.002","9.6809","0.0015","16.8","0.003","90","","107.535","0.005","90","","2031.1","0.6","297","2","297","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0745","0.039","","","0.0817","0.0959","","","","","","1.015","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245120","12.5432","0.0015","9.5412","0.0011","16.985","0.002","90","","106.366","0.004","90","","1950.4","0.4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0924","0.0451","","","0.1201","0.1538","","","","","","1.049","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245121","13.0123","0.0013","9.6529","0.0009","16.7087","0.0018","90","","107.453","0.003","90","","2002.1","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.088","0.0496","","","0.1059","0.1224","","","","","","1.005","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245122","8.7825","0.0004","16.4044","0.0007","11.3954","0.0004","90","","96.42","0.004","90","","1631.46","0.12","101","1","101","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-[1,2,4]triazolo[3,4-a]phthalazine","","- C9 H5 Cl N4 -","- C9 H5 Cl N4 -","- C72 H40 Cl8 N32 -","8","2","","Zaib, Sumera; Ibrar, Aliya; Ramay, Marriyam; Zahra, Shabab; Hökelek, Tuncer; Simpson, Jim; McAdam, Christopher John John; Awwad, Nasser S.; Ibrahium, Hala A.; Frontera, Antonio; Khan, Imtiaz","Centroid…centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines","CrystEngComm","2022","","","","","10.1039/D2CE00351A","","","1.54184","CuKα","","0.0585","0.0488","","","0.1285","0.1411","","","","","","1.06","","","","has coordinates","276414","2022-06-29","22:43:11",""
"7245123","8.8082","0.0001","7.3685","0.0001","14.2931","0.0002","90","","90.213","0.002","90","","927.66","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine","","- C10 H7 Cl N4 -","- C10 H7 Cl N4 -","- C40 H28 Cl4 N16 -","4","1","","Zaib, Sumera; Ibrar, Aliya; Ramay, Marriyam; Zahra, Shabab; Hökelek, Tuncer; Simpson, Jim; McAdam, Christopher John John; Awwad, Nasser S.; Ibrahium, Hala A.; Frontera, Antonio; Khan, Imtiaz","Centroid…centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines","CrystEngComm","2022","","","","","10.1039/D2CE00351A","","","1.54184","CuKα","","0.03","0.0267","","","0.0662","0.0689","","","","","","1.06","","","","has coordinates","276414","2022-06-29","22:43:12",""
"7245124","9.3237","0.0019","12.028","0.002","7.281","0.0015","90","","98.28","0.03","90","","808","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Co N12 O10 -","- C6 H14 Co N12 O10 -","- C12 H28 Co2 N24 O20 -","2","0.5","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","276415","2022-06-29","22:44:03",""
"7245125","6.279","0.0006","6.6441","0.0007","17.6502","0.0015","90","","93.914","0.002","90","","734.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N5 O3 -","- C3 H9 N5 O3 -","- C12 H36 N20 O12 -","4","1","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","0.71073","MoKα","","0.1136","0.0717","","","0.2029","0.2372","","","","","","1.054","","","","has coordinates,has disorder","276415","2022-06-29","22:44:03",""
"7245126","9.256","0.0008","12.1628","0.0011","7.5984","0.0007","90","","99.304","0.002","90","","844.17","0.13","","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cd N12 O10 -","- C6 H14 Cd N12 O10 -","- C12 H28 Cd2 N24 O20 -","2","0.5","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","0.71073","MoKα","","0.0639","0.055","","","0.1453","0.1511","","","","","","1.0661","","","","has coordinates","276415","2022-06-29","22:44:03",""
"7245131","13.9994","0.0002","15.2612","0.0003","17.7824","0.0003","89.9738","0.0015","86.8717","0.0014","89.3377","0.0013","3793.25","0.11","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Ce5 N4 O34 -","- C72 H60 Ce5 N4 O34 -","- C144 H120 Ce10 N8 O68 -","2","1","","Wasson, Megan C.; Xie, Haomiao; Wang, Xingjie; Duncan, Joshua S.; Farha, Omar K.","Structural transformation of metal oxo species within UiO-66 type metal–organic frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00650B","","x-ray","1.54184","CuKα","","0.1231","0.1205","","","0.3275","0.3285","","","","","","1.128","","","","has coordinates","276456","2022-06-30","22:35:24",""
"7245132","9.6556","0.0006","9.6556","0.0006","18.7426","0.0009","90","","90","","120","","1513.28","0.15","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C H7 N10 Na2 O2.5 -","- C H7 N10 Na2 O2.5 -","- C6 H42 N60 Na12 O15 -","6","1","","Xu, Yuangang; Xu, Ze; Zhang, Xiaopeng; Hou, Tianyang; Lu, Ming","[Na4(N5)4(H2O)2]·H2O·2MeOH: a honeycomb-like sodium pentazolate framework with helical chains","CrystEngComm","2022","","","","","10.1039/D2CE00713D","","","0.71073","MoKα","","0.0587","0.0551","","","0.1412","0.1444","","","","","","1.046","","","","has coordinates","276457","2022-06-30","22:35:48",""
"7245133","8.3288","0.0003","8.9675","0.0003","17.7852","0.0007","90","","90","","90","","1328.35","0.08","249.99","0.13","249.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","1","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0229","0.0204","","","0.0432","0.0443","","","","","","1.043","","","","has coordinates","276458","2022-06-30","22:36:10",""
"7245134","8.286","0.0003","9.0586","0.0004","18.0168","0.0007","90","","90","","90","","1352.33","0.09","293","2","293","2","","","","","","","","6","B m m b","-B 2b 2","63","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","0.25","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0298","0.0263","","","0.0678","0.0712","","","","","","1.106","","","","has coordinates,has disorder","276458","2022-06-30","22:36:11",""
"7245137","11.9515","0.0004","14.8622","0.0005","13.3026","0.0005","90","","112.244","0.001","90","","2187.04","0.13","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile)","","- C29 H18 N2 O2 -","- C29 H18 N2 O2 -","- C116 H72 N8 O8 -","4","1","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0728","0.0477","","","0.1154","0.1304","","","","","","1.08","","","","has coordinates","276548","2022-07-04","22:31:19",""
"7245138","50.83","0.004","5.9067","0.0004","32.66","0.002","90","","90","","90","","9805.8","1.2","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) trifluoromethanesulfonate","","- C59 H36 Ag F3 N4 O7 S -","- C59 H36 Ag F3 N4 O7 S -","- C472 H288 Ag8 F24 N32 O56 S8 -","8","0.5","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.1051","0.0767","","","0.141","0.1482","","","","","","1.22","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245139","17.1383","0.001","27.1434","0.0015","5.0213","0.0003","90","","90","","90","","2335.9","0.2","295","2","295","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) nitrate trihydrate","","- C58 H42 Ag N5 O10 -","- C58 H36 Ag N4 O4 -","- C116 H72 Ag2 N8 O8 -","2","0.25","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0626","0.0369","","","0.0766","0.0844","","","","","","1.059","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245140","19.887","0.0008","11.7908","0.0005","10.2014","0.0004","90","","84.289","0.001","90","","2380.19","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Mo N4 O7 Zn -","- C25 H18 Mo N4 O7 Zn -","- C100 H72 Mo4 N16 O28 Zn4 -","4","1","","Wang, Xiu-Li; Zhang, Yue; Chen, Yong-Zhen; Wang, Yue; Wang, Xiang","Two polymolybdate-directed Zn(ii) complexes tuned by a new bis-pyridine-bis-amide ligand with a diphenylketone spacer for efficient ampere sensing and dye adsorption","CrystEngComm","2022","","","","","10.1039/D2CE00697A","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0318","","","0.0782","0.0924","","","","","","1.088","","","","has coordinates","276708","2022-07-06","22:38:52",""
"7245141","12.0142","0.0005","19.6645","0.0009","22.4864","0.0011","81.387","0.001","76.824","0.001","89.566","0.001","5112.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C150 H128 Cr4 Mo24 N24 O128 Zn2 -","- C150 H128 Cr4 Mo24 N24 O127.5 Zn2 -","- C150 H128 Cr4 Mo24 N24 O127.5 Zn2 -","1","0.5","","Wang, Xiu-Li; Zhang, Yue; Chen, Yong-Zhen; Wang, Yue; Wang, Xiang","Two polymolybdate-directed Zn(ii) complexes tuned by a new bis-pyridine-bis-amide ligand with a diphenylketone spacer for efficient ampere sensing and dye adsorption","CrystEngComm","2022","","","","","10.1039/D2CE00697A","","x-ray","0.71073","MoKα","K-L~3~","0.1016","0.051","","","0.1175","0.1456","","","","","","1.008","","","","has coordinates","276708","2022-07-06","22:38:53",""
"7245142","21.4967","0.0003","17.7167","0.0003","27.0552","0.0004","90","","90","","90","","10304","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C80 H78 Mo12 N4 Nd O47 P5 -","- C80 H78 Mo12 N4 Nd O47 P5 -","- C320 H312 Mo48 N16 Nd4 O188 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","1.54184","CuKα","","0.0928","0.0894","","","0.2392","0.2428","","","","","","1.09","","","","has coordinates","276711","2022-07-06","22:40:43",""
"7245143","21.507","0.002","17.6612","0.0018","27.356","0.003","90","","90","","90","","10390.9","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Dy Mo12 O51 P5 -","- C80 H90 Dy Mo12 O51 P5 -","- C320 H360 Dy4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1119","0.0555","","","0.1118","0.1348","","","","","","1.008","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245144","21.49","0.003","17.646","0.003","27.381","0.004","90","","90","","90","","10383","3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8.89 H9.89 Er0.11 Mo1.33 O5.67 P0.56 -","- C8.88889 H9.88889 Er0.111111 Mo1.33333 O5.66667 P0.555556 -","- C320 H356 Er4 Mo48 O204 P20 -","36","4.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.0847","0.0463","","","0.0948","0.1095","","","","","","1.031","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245145","21.5225","0.0019","17.6625","0.0017","27.352","0.003","90","","90","","90","","10397.6","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Ho Mo12 O51 P5 -","- C80 H90 Ho Mo12 O51 P5 -","- C320 H360 Ho4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.092","0.05","","","0.0977","0.1153","","","","","","1.04","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245146","25.36","0.002","14.4109","0.0013","24.175","0.002","90","","113.578","0.004","90","","8097.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er Mo12 N O59 P7 -","- C32 H77 Er Mo12 N O59 P7 -","- C128 H308 Er4 Mo48 N4 O236 P28 -","4","1","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1057","0.0634","","","0.1491","0.1676","","","","","","1.023","","","","has coordinates","276711","2022-07-06","22:40:44",""
"7245147","13.7635","0.0011","14.7371","0.0012","27.829","0.003","100.615","0.003","95.236","0.002","114.371","0.004","4964.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Mo12 N2 Nd O68 P9 -","- C44 H102 Mo12 N2 Nd O68 P9 -","- C88 H204 Mo24 N4 Nd2 O136 P18 -","2","1","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1785","0.0925","","","0.2049","0.231","","","","","","1.238","","","","has coordinates","276711","2022-07-06","22:40:44",""
"7245149","11.4353","0.0002","8.3568","0.0001","18.7182","0.0002","90","","90","","90","","1788.76","0.04","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C48 H72 N24 S16 -","8","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","","1.54184","CuKα","","0.044","0.0412","","","0.1197","0.1229","","","","","","1.076","","","","has coordinates","276811","2022-07-22","23:28:41",""
"7245150","10.517","0.0002","10.8672","0.0001","8.4287","0.0001","90","","107.92","0.002","90","","916.59","0.02","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C24 H36 N12 S8 -","4","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.0412","0.0383","","","0.1085","0.1115","","","","","","1.089","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245151","4.1956","0.0001","10.848","0.0003","13.5301","0.0004","99.138","0.002","93.308","0.002","93.37","0.002","605.53","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 S4 -","- C8 H8 N4 S4 -","- C16 H16 N8 S8 -","2","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.035","0.0312","","","0.0809","0.0832","","","","","","1.061","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245152","4.114","0.0001","12.3715","0.0001","23.8214","0.0002","90","","90.32","0.001","90","","1212.4","0.03","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 S4 -","- C8 H8 N4 S4 -","- C32 H32 N16 S16 -","4","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.0284","0.026","","","0.0623","0.0635","","","","","","1.053","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245153","10.473","0.001","10.473","0.001","7.2162","0.0006","90","","90","","120","","685.46","0.11","342","","342","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.035","0.0288","","","0.0715","0.0742","","","","","","1.071","","","","has coordinates","276812","2022-07-22","23:29:18",""
"7245154","10.6103","0.0012","10.6103","0.0012","7.2328","0.0006","90","","90","","120","","705.17","0.13","446","","446","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.0833333","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0321","0.0284","","","0.0839","0.0873","","","","","","1.092","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245155","10.3782","0.0006","10.3782","0.0006","7.153","0.0004","90","","90","","120","","667.21","0.07","187","","187","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0352","0.03","","","0.0725","0.0747","","","","","","1.086","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245156","10.5556","0.0006","10.5556","0.0006","7.2239","0.0003","90","","90","","120","","697.06","0.06","390","","390","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0574","0.0452","","","0.1161","0.1259","","","","","","1.005","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245157","10.453","0.0005","10.453","0.0005","7.1875","0.0003","90","","90","","120","","680.13","0.05","303","","303","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.0648","0.0682","","","","","","1.097","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245158","10.3499","0.0005","10.3499","0.0005","7.1351","0.0004","90","","90","","120","","661.92","0.06","135","","135","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0282","0.0261","","","0.0814","0.0834","","","","","","0.71","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245159","10.411","0.0007","10.411","0.0007","7.1669","0.0004","90","","90","","120","","672.74","0.07","239","","239","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0317","0.0274","","","0.0665","0.068","","","","","","1.138","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245160","7.473","0.0001","7.6103","0.0002","21.7932","0.0004","94.377","0.002","100.099","0.002","97.933","0.002","1202.1","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl N O7 S2 -","- C24 H22 Cl N O7 S2 -","- C48 H44 Cl2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.0306","0.0287","","","0.0733","0.0746","","","","","","1.035","","","","has coordinates","276813","2022-07-22","23:30:03",""
"7245161","7.454","0.0001","7.6771","0.0001","22.1343","0.0002","93.932","0.001","98.393","0.001","97.715","0.001","1236.7","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 I N O7 S2 -","- C24 H22 I N O7 S2 -","- C48 H44 I2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.0264","0.0257","","","0.0698","0.0704","","","","","","1.033","","","","has coordinates","276813","2022-07-22","23:30:04",""
"7245162","7.4632","0.0001","7.6243","0.0001","21.9289","0.0004","94.304","0.001","99.668","0.001","97.86","0.001","1212.36","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br N O7 S2 -","- C24 H22 Br N O7 S2 -","- C48 H44 Br2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.028","0.027","","","0.0692","0.0699","","","","","","1.061","","","","has coordinates","276813","2022-07-22","23:30:04",""
"7245163","10.0404","0.0008","9.926","0.0007","38.902","0.003","90","","90","","90","","3877","0.5","293","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","BUC-92","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C152 H160 Co8 N16 O56 -","8","1","","Wang, Fu-Xue; Zhang, Zi-Chen; Yi, Xiao-Hong; Wang, Chong-Chen; Wang, Peng; Wang, Chao-Yang; Yu, Bao Yi","A micron-sized Co-MOF sheet to active peroxymonosulfate for efficient organic pollutant degradation","CrystEngComm","2022","","","","","10.1039/D2CE00791F","","x-ray","0.71073","MoKα","","0.1231","0.0736","","","0.1745","0.1949","","","","","","1.044","","","","has coordinates","276814","2022-07-22","23:30:41",""
"7245164","12.8973","0.0011","13.329","0.0011","10.574","0.0009","90","","90","","90","","1817.8","0.3","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C76 H72 B4 F8 I4 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0305","0.0274","","","0.0666","0.068","","","","","","1.016","","","","has coordinates","276815","2022-07-22","23:31:34",""
"7245165","36.279","0.007","6.3131","0.001","17.888","0.003","90","","104.391","0.013","90","","3968.4","1.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C152 H136 B8 F16 I16 N16 -","8","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.1133","0.0556","","","0.1069","0.1267","","","","","","1.042","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245166","6.649","0.002","10.479","0.004","14","0.005","106.646","0.008","96.659","0.008","97.135","0.008","915.5","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C38 H36 B2 F4 I2 N4 -","2","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.1148","0.0729","","","0.1908","0.2136","","","","","","1.043","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245167","14.782","0.006","10.554","0.004","13.415","0.006","90","","107.167","0.007","90","","1999.6","1.4","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C76 H68 B4 F8 I8 N8 -","4","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0682","0.0415","","","0.0857","0.0974","","","","","","1.023","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245168","10.7772","0.0015","13.5103","0.0019","15.027","0.002","90","","90","","90","","2188","0.5","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H16 B F2 I3 N2 -","- C19 H16 B F2 I3 N2 -","- C76 H64 B4 F8 I12 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0364","0.0293","","","0.0656","0.0698","","","","","","1.034","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245169","7.5303","0.0007","9.5146","0.0008","9.5825","0.0009","70.618","0.002","66.864","0.001","66.689","0.001","567.02","0.09","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C20 H32 N4 O10 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.1036","0.0877","","","0.2446","0.2739","","","","","","1.09","","","","has coordinates","276816","2022-07-22","23:32:43",""
"7245170","7.2019","0.0008","9.8663","0.0009","9.8663","0.0008","71.254","0.001","76.887","0.002","76.887","0.002","637.49","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.1165","0.0766","","","0.1842","0.202","","","","","","1.07","","","","has coordinates","276816","2022-07-22","23:32:43",""
"7245171","6.9385","0.0006","9.2887","0.0008","10.7058","0.0009","83.234","0.003","74.443","0.002","84.182","0.003","658.32","0.1","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.0987","0.0673","","","0.1665","0.1831","","","","","","1.074","","","","has coordinates,has disorder","276816","2022-07-22","23:32:43",""
"7245172","20.0564","0.0016","10.9978","0.0008","17.5059","0.0013","90","","111.797","0.002","90","","3585.3","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gadolinium-Organic Compound","","","- C11 H4.5 Gd N1.5 O14 -","- C11 H4.5 Gd N1.5 O14 -","- C88 H36 Gd8 N12 O112 -","8","1","","Sarkar, Sourav; Singha, Debal Kanti; Majee, Prakash; Daga, Pooja; Mondal, Sudip Kumar; Mahata, Partha","Stabilization of CO2 as zwitterionic carbamate within a coordination polymer (CP): synthesis, structure and anion sensing behaviour of a Tb-CP composite","CrystEngComm","2022","","","","","10.1039/D2CE00711H","","","0.71073","MoKα","","0.0316","0.0296","","","0.0924","0.1005","","","","","","1.207","","","","has coordinates","276817","2022-07-22","23:33:08",""
"7245173","7.9006","0.0011","14.2403","0.0019","35.402","0.005","90","","90","","90","","3983","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 N3 O12 P3 -","- C42 H30 N3 O12 P3 -","- C168 H120 N12 O48 P12 -","4","1","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.1053","0.065","","","0.1749","0.2017","","","","","","1.048","","","","has coordinates","276818","2022-07-22","23:33:41",""
"7245174","14.5753","0.0007","14.5753","0.0007","20.6709","0.0019","90","","90","","120","","3803","0.4","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C144 H90 N18 O36 -","6","0.333333","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.088","0.0523","","","0.1831","0.209","","","","","","1.094","","","","has coordinates,has disorder","276818","2022-07-22","23:33:41",""
"7245175","13.369","0.002","16.647","0.002","12.2989","0.0018","90","","115.706","0.002","90","","2466.3","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N6 O4 -","- C18 H12 Co N6 O4 -","- C72 H48 Co4 N24 O16 -","4","0.5","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0295","0.0285","","","0.0846","0.0854","","","","","","1.083","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245176","8.6637","0.0004","19.5196","0.0008","6.8599","0.0004","90","","99.97","0.005","90","","1142.57","0.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H8 Cl Co N3 O3 -","- C9 H8 Cl Co N3 O3 -","- C36 H32 Cl4 Co4 N12 O12 -","4","1","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0344","0.03","","","0.0756","0.0783","","","","","","1.111","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245177","10.8901","0.0008","8.7895","0.0008","19.6844","0.0016","90","","100.615","0.001","90","","1851.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Co N6 O6 -","- C18 H16 Co N6 O6 -","- C72 H64 Co4 N24 O24 -","4","0.5","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0258","0.0246","","","0.063","0.0636","","","","","","1.05","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245178","10.1471","0.0009","13.7121","0.0012","14.0607","0.0012","90","","92.858","0.003","90","","1953.9","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 Cu N4 -","- C19 H17 Cl3 Cu N4 -","- C76 H68 Cl12 Cu4 N16 -","4","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0521","0.0441","","","0.1018","0.1081","","","","","","1.084","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245179","10.502","0.002","10.56","0.003","11.248","0.003","104.664","0.007","110.573","0.007","110.692","0.008","985.9","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl5 Cu N4 -","- C15 H17 Cl5 Cu N4 -","- C30 H34 Cl10 Cu2 N8 -","2","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71076","MoKα","","0.033","0.0296","","","0.0726","0.0757","","","","","","1.074","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7245180","7.8177","0.0004","25.0982","0.0014","12.3248","0.0007","90","","96.956","0.002","90","","2400.5","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl12 Cu3 N8 -","- C38 H38 Cl12 Cu3 N8 -","- C76 H76 Cl24 Cu6 N16 -","2","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0395","0.0349","","","0.0739","0.0757","","","","","","1.078","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245181","11.9919","0.0004","18.7337","0.0006","13.067","0.0004","90","","108.872","0.001","90","","2777.73","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H70 Cu3 Gd2 N4 O27 -","- C34 H70 Cu3 Gd2 N4 O27 -","- C68 H140 Cu6 Gd4 N8 O54 -","2","0.5","","Qasem, Khalil M. A.; Khan, Shabnam; Fitta, Magdalena; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Shahid, M.; Saleh, Hatem A. M.; Ahmad, Musheer","A new {Cu3–Gd2} cluster as a two-in-one functional material with unique topology acting as a refrigerant and adsorbent for cationic dye","CrystEngComm","2022","","","","","10.1039/D2CE00795A","","","0.71073","MoKα","","0.0306","0.0246","","","0.0591","0.0633","","","","","","1.0554","","","","has coordinates","276821","2022-07-22","23:35:53",""
"7245182","7.9401","0.0016","5.1377","0.0011","23.485","0.005","90","","94.421","0.016","90","","955.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C48 H40 N8 O4 -","2","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","","0.71073","MoKα","","0.1055","0.055","","","0.1202","0.1429","","","","","","1.012","","","","has coordinates","276822","2022-07-22","23:36:59",""
"7245183","9.797","0.0009","9.962","0.0007","11.135","0.0009","100.052","0.006","114.832","0.008","92.202","0.006","963.51","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.46 H48.91 N4.46 Ni O10 -","- C40.456 H48.912 N4.456 Ni O10 -","- C40.456 H48.912 N4.456 Ni O10 -","1","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","","1.54184","CuKα","","0.0644","0.0551","","","0.1564","0.1642","","","","","","1.094","","","","has coordinates,has disorder","276822","2022-07-22","23:37:00",""
"7245184","9.505","0.002","18.124","0.004","18.211","0.004","96.9","0.01","90.088","0.009","97.374","0.011","3088.2","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H53 Co3 N7 O17 -","- C57 H53 Co3 N7 O17 -","- C114 H106 Co6 N14 O34 -","2","1","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","x-ray","1.54178","CuKα","","0.1435","0.0948","","","0.2525","0.2911","","","","","","1.038","","","","has coordinates","276822","2022-07-22","23:37:00",""
"7245185","27.2418","0.0009","26.6132","0.0009","31.8614","0.001","90","","111.736","0.001","90","","21456.9","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H122 N10 O34 Zn8 -","- C150 H122 N10 O34 Zn8 -","- C600 H488 N40 O136 Zn32 -","4","1","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","x-ray","1.34139","GaKα","","0.0629","0.0578","","","0.1826","0.188","","","","","","1.034","","","","has coordinates,has disorder","276822","2022-07-22","23:37:00",""
"7245186","5.21734","0.00027","6.6613","0.00024","22.6335","0.0009","90","","90","","90","","786.61","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","","Momenzadeh Abardeh, Zahrasadat; Salimi, Alireza; Oganov, Artem R.","Crystal structure prediction of N-halide phthalimide compounds: Halogen bond synthon as a touchstone","CrystEngComm","2022","","","","","10.1039/D2CE00476C","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08395","","0.98","","","","","","","has coordinates","276823","2022-07-22","23:37:36",""
"7245187","16.9895","0.0007","6.1074","0.0002","12.0498","0.0009","90","","101.833","0.006","90","","1223.74","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C56 H70 F2 O14 -","2","1","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09165","2.24889","","","","","","","has coordinates","276824","2022-07-22","23:38:04",""
"7245188","18.9012","0.0007","6.10485","0.00019","22.6364","0.0015","90","","109.25","0.004","90","","2466","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09288","2.45548","","","","","","","has coordinates","276824","2022-07-22","23:38:05",""
"7245214","14.3168","0.0008","18.7687","0.0011","8.9267","0.0005","90","","90","","90","","2398.7","0.2","150","","143","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0612","0.0378","","","0.092","0.1089","","","","","","1.0967","","","","has coordinates,has disorder","276947","2022-07-26","22:35:41",""
"7245215","14.325","0.0006","19.0152","0.0008","8.917","0.0004","90","","90","","90","","2428.93","0.18","300","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0791","0.0423","","","0.0947","0.1146","","","","","","1.0671","","","","has coordinates,has disorder","276947","2022-07-26","22:35:49",""
"7245216","14.3252","0.0005","18.935","0.0007","8.9216","0.0003","90","","90","","90","","2419.96","0.15","250","","250","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0602","0.0379","","","0.0889","0.1027","","","","","","1.0801","","","","has coordinates,has disorder","276947","2022-07-26","22:35:52",""
"7245217","14.3204","0.0009","18.8505","0.0013","8.9253","0.0006","90","","90","","90","","2409.4","0.3","200","","196","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Cu2 N3 P -","- C27 H23 Cu2 N3 P -","- C108 H92 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0695","0.0426","","","0.1067","0.1233","","","","","","1.0581","","","","has coordinates,has disorder","276947","2022-07-26","22:36:03",""
"7245218","14.3334","0.0008","19.0929","0.0011","8.9152","0.0005","90","","90","","90","","2439.8","0.2","350","","357","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.067","0.0396","","","0.0954","0.1147","","","","","","1.085","","","","has coordinates,has disorder","276947","2022-07-26","22:36:05",""
"7245219","14.3364","0.0017","19.171","0.002","8.9148","0.0011","90","","90","","90","","2450.2","0.5","400","","410","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0616","0.0387","","","0.0962","0.1136","","","","","","1.0949","","","","has coordinates,has disorder","276947","2022-07-26","22:36:08",""
"7245221","6.7753","0.0003","13.9706","0.0005","17.457","0.0006","79.336","0.001","82.547","0.001","76.051","0.0009","1569.68","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 Cl7 Ga2 -","- C32 H20 Cl7 Ga2 -","- C64 H40 Cl14 Ga4 -","2","1","","Flynn, Chase; Zhou, Zheng; McCormack, Megan E.; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos","Bonding and uneven charge distribution in infinite pyrene π-stacks","CrystEngComm","2022","","","","","10.1039/D2CE00933A","","","1.54178","CuKα","","0.0544","0.0502","","","0.1521","0.1555","","","","","","1.07","","","","has coordinates,has disorder","276985","2022-07-28","22:34:30",""
"7245222","15.2375","0.001","8.1987","0.0003","16.1855","0.0012","90","","104.826","0.007","90","","1954.7","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H12 F4 I2 -","- C21 H12 F4 I2 -","- C84 H48 F16 I8 -","4","2","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0674","0.0469","","","0.0914","0.0999","","","","","","1.077","","","","has coordinates","276986","2022-07-28","22:35:00",""
"7245223","5.9997","0.0004","9.7209","0.001","12.2681","0.001","73.604","0.008","89.751","0.006","81.821","0.007","678.94","0.1","300","","300","","","","","","","","","4","P -1","-P 1","2","","A(I2F4)2","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0387","0.0293","","","0.0595","0.0633","","","","","","1.053","","","","has coordinates","276986","2022-07-28","22:35:01",""
"7245224","8.1105","0.0005","10.3429","0.0005","16.2211","0.0008","97.45","0.004","103.319","0.005","98.14","0.005","1292.05","0.13","300","","300","","","","","","","","","4","P -1","-P 1","2","","I2F4:MA 1:4","","- C66 H48 F4 I2 -","- C66 H48 F4 I2 -","- C66 H48 F4 I2 -","1","0.5","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0727","0.0529","","","0.0955","0.1035","","","","","","1.074","","","","has coordinates","276986","2022-07-28","22:35:01",""
"7245230","10.7456","0.0005","36.5825","0.0016","15.7867","0.0007","90","","98.164","0.001","90","","6142.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 Cd2 N9 O13 -","- C55 H36 Cd2 N9 O13 -","- C220 H144 Cd8 N36 O52 -","4","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0757","0.058","","","0.147","0.155","","","","","","1.047","","","","has coordinates","277028","2022-08-01","22:35:38",""
"7245231","4.96","0.0005","10.1397","0.0011","11.8715","0.0012","67.798","0.002","81.007","0.002","86.591","0.002","545.99","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cd N4 O6 -","- C26 H18 Cd N4 O6 -","- C26 H18 Cd N4 O6 -","1","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0235","0.0231","","","0.0562","0.0564","","","","","","1.028","","","","has coordinates,has disorder","277028","2022-08-01","22:35:39",""
"7245232","7.9323","0.0017","11.895","0.003","12.694","0.003","97.585","0.004","101.921","0.004","94.309","0.004","1155.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N4 O7 Zn -","- C26 H20 N4 O7 Zn -","- C52 H40 N8 O14 Zn2 -","2","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.1142","0.0568","","","0.1141","0.1367","","","","","","1.01","","","","has coordinates","277028","2022-08-01","22:35:39",""
"7245233","17.6671","0.0006","19.4948","0.0006","15.545","0.0005","90","","90","","90","","5354","0.3","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C26 H22 N4 O8 Zn -","- C26 H22 N4 O8 Zn -","- C208 H176 N32 O64 Zn8 -","8","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0361","0.0289","","","0.0791","0.0842","","","","","","1.059","","","","has coordinates","277028","2022-08-01","22:35:40",""
"7245234","10.7737","0.0009","14.7826","0.0011","20.3526","0.0016","90.83","0.002","91.007","0.002","109.013","0.002","3063.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H49 Cd2 N11 O15 -","- C65 H43.446 Cd2 N11 O15 -","- C130 H86.892 Cd4 N22 O30 -","2","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0953","0.0849","","","0.2153","0.2209","","","","","","1.074","","","","has coordinates,has disorder","277028","2022-08-01","22:35:40",""
"7245235","10.7796","0.0007","36.563","0.002","15.8187","0.001","90","","97.978","0.001","90","","6174.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 Cu2 N9 O13 -","- C55 H40 Cu2 N9 O13 -","- C220 H160 Cu8 N36 O52 -","4","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.1104","0.09","","","0.2683","0.2844","","","","","","1.043","","","","has coordinates,has disorder","277028","2022-08-01","22:35:40",""
"7245236","8.0245","0.0005","8.4915","0.0005","14.9566","0.0007","87.548","0.005","74.813","0.005","65.13","0.006","889.69","0.1","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","roseolumiflavin 2,4-diaminopyrimidine","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 2,4-diaminopyrimidine","","- C18 H21 N9 O2 -","- C18 H21 N9 O2 -","- C36 H42 N18 O4 -","2","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.0942","0.0557","","","0.1419","0.1678","","","","","","1.006","","","","has coordinates","277029","2022-08-01","22:37:05",""
"7245237","12.7469","0.001","7.0326","0.0008","14.3336","0.0013","90","","99.135","0.005","90","","1268.6","0.2","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","roseolumiflavin","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C56 H60 N20 O8 -","4","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","","0.71073","MoKα","","0.0729","0.0493","","","0.1259","0.1399","","","","","","1.007","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245238","7.7683","0.0003","12.2451","0.0005","14.6375","0.0005","108.28","0.004","91.09","0.003","96.577","0.004","1311.17","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","roseolumiflavin 1,4-diiodotetrafluorobenzene","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 1,4-diiodotetrafluorobenzene","","- C23 H15 F6 I3 N5 O2 -","- C23 H15 F6 I3 N5 O2 -","- C46 H30 F12 I6 N10 O4 -","2","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.0926","0.0941","","","","","","1.112","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245239","6.9603","0.0004","18.1475","0.0007","28.0356","0.0012","90","","90","","90","","3541.2","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","roseolumiflavin acetylenedicarboxylic acid","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione but-2-ynedioic acid","","- C18 H17 N5 O6 -","- C18 H17 N5 O6 -","- C144 H136 N40 O48 -","8","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.1082","0.0617","","","0.1391","0.1645","","","","","","0.996","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245240","22.737","","22.737","","9.143","","90","","90","","90","","4726.67","","77","","77","","","","","","","","","5","P 43","P 4cw","78","","Argyrin-D","","- C168 H184 N40 O32 S4 -","- C42 H48 N10 O8 S -","- C168 H192 N40 O32 S4 -","4","1","","Gorelik, Tatiana E.; Tehrani, Kamal; Gruene, Tim; Monecke, Thomas; Niessing, Dierk; Kaiser, Ute; Blankenfeldt, Wulf; Müller, Rolf","Crystal structure of natural product argyrin-D determined by 3D electron diffraction","CrystEngComm","2022","","","","","10.1039/D2CE00707J","","","0.0251","electrons","","0.2232","0.178","","","0.4023","0.4327","","","","","","1.296","","","","has coordinates","277045","2022-08-02","22:36:04",""
"7245241","24.0297","0.0014","18.1938","0.0011","19.0238","0.0011","90","","97.312","0.003","90","","8249.4","0.8","106.73","","106.73","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H122 Nb6 O34 -","- C58 H122 Nb6 O34 -","- C232 H488 Nb24 O136 -","4","0.5","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.075","0.058","","","0.1379","0.1521","","","","","","1.05","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245242","8.0483","0.0009","18.5558","0.0019","18.624","0.002","68.271","0.004","81.253","0.005","84.084","0.005","2550.4","0.5","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H146 N2 Nb8 O40 -","- C72 H146 N2 Nb8 O40 -","- C72 H146 N2 Nb8 O40 -","1","0.5","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.1614","0.0675","","","0.1174","0.1442","","","","","","1.011","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245243","15.3902","0.0012","20.0542","0.0014","17.528","0.0013","90","","90.114","0.003","90","","5409.8","0.7","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 N2 Nb4 O20 -","- C42 H78 N2 Nb4 O20 -","- C168 H312 N8 Nb16 O80 -","4","1","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.0364","0.0313","","","0.0736","0.0764","","","","","","1.019","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245245","14.9249","0.0006","11.7152","0.0004","19.1338","0.0007","90","","104.921","0.004","90","","3232.7","0.2","293","2","293","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0745","0.0547","","","0.1856","0.2481","","","","","","1.112","","","","has coordinates","277056","2022-08-03","22:29:31",""
"7245246","6.0013","0.0002","16.6234","0.0006","8.3924","0.0003","90","","91.974","0.003","90","","836.75","0.05","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0442","0.0398","","","0.0979","0.1014","","","","","","0.989","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245247","8.6118","0.0003","16.6368","0.0008","12.4195","0.0006","90","","100.26","0.004","90","","1750.92","0.14","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0944","0.0747","","","0.2048","0.2336","","","","","","1.081","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245248","9.042","0.0004","18.3274","0.0005","11.5796","0.0004","90","","110.56","0.004","90","","1796.7","0.12","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0906","0.0589","","","0.1585","0.1759","","","","","","1.126","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245249","8.3589","0.0003","10.1168","0.0003","21.3108","0.0007","90","","99.806","0.003","90","","1775.83","0.1","298","2","298.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0657","0.0464","","","0.1218","0.1318","","","","","","1.104","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245250","12.1162","0.0006","8.665","0.0005","15.2466","0.0008","90","","94.663","0.004","90","","1595.39","0.15","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0653","0.0533","","","0.1293","0.1352","","","","","","1.069","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245251","15.9848","0.001","13.5213","0.0009","19.9924","0.0014","90","","97.5038","0.0018","90","","4284.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Eu2 N3 O19 -","- C39 H27 Eu2 N3 O18 -","- C156 H108 Eu8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0871","0.0461","","","0.0714","0.0804","","","","","","1.016","","","","has coordinates","277057","2022-08-03","22:31:22",""
"7245252","16.0024","0.001","13.5248","0.0008","19.9626","0.0012","90","","97.45","0.002","90","","4284","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 N3 O19 Tb2 -","- C39 H27 N3 O18 Tb2 -","- C156 H108 N12 O72 Tb8 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0402","0.0277","","","0.0603","0.0653","","","","","","1.008","","","","has coordinates","277057","2022-08-03","22:31:25",""
"7245253","15.972","0.001","13.5069","0.0008","19.938","0.0012","90","","97.696","0.002","90","","4262.5","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Gd2 N3 O19 -","- C39 H27 Gd2 N3 O18 -","- C156 H108 Gd8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0843","0.0442","","","0.0668","0.0755","","","","","","1.018","","","","has coordinates","277057","2022-08-03","22:31:27",""
"7245254","16.0071","0.0009","13.5039","0.0008","19.8981","0.0012","90","","97.694","0.001","90","","4262.4","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Ho2 N3 O19 -","- C39 H27 Ho2 N3 O18 -","- C156 H108 Ho8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0453","0.0298","","","0.0561","0.0607","","","","","","0.994","","","","has coordinates","277057","2022-08-03","22:31:37",""
"7245255","15.9959","0.001","13.5136","0.0008","19.9109","0.0012","90","","97.597","0.002","90","","4266.2","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Dy2 N3 O19 -","- C39 H27 Dy2 N3 O18 -","- C156 H108 Dy8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0455","0.0323","","","0.0688","0.0734","","","","","","1.011","","","","has coordinates","277057","2022-08-03","22:31:38",""
"7245257","3.7587","0.0008","11.009","0.002","19.568","0.004","90","","90.97","0.03","90","","809.6","0.3","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Bolla, Geetha; Guo, Junfeng; Zhao, Huijuan; Lv, Shaokai; Liu, Jie; Li, Yang; Zhen, Yonggang; Liao, Qing; Wang, Xinran; Fu, Hongbing; Dong, Huanli; Wang, Zongrui; Wang, Zhaohui; Hu, Wenping","Pyridyl substitution at the 2,6-positions of anthracene toward crystal polymorphs with distinct optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00899H","","","0.71073","MoKα","","0.0469","0.0453","","","0.1036","0.1047","","","","","","1.107","","","","has coordinates","277073","2022-08-04","22:32:03",""
"7245258","13.0924","0.0002","12.3143","0.0002","14.7809","0.0002","90","","94.866","0.001","90","","2374.44","0.06","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0401","0.0386","","","0.1044","0.1054","","","","","","1.089","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245259","21.6173","0.0004","9.16","0.0001","22.6182","0.0003","90","","115.863","0.002","90","","4030.14","0.12","123","2","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 N5 O4 -","- C49 H49 N5 O4 -","- C196 H196 N20 O16 -","4","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0664","0.0602","","","0.1599","0.1645","","","","","","1.069","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245260","13.3133","0.0002","12.1407","0.0001","21.2595","0.0003","90","","106.205","0.001","90","","3299.71","0.08","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N2 O -","- C22 H19 N2 O -","- C176 H152 N16 O8 -","8","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0375","0.0364","","","0.0972","0.0985","","","","","","1.065","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245261","9.1627","0.0001","21.5531","0.0003","29.7885","0.0004","90","","92.713","0.001","90","","5876.18","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 N3 O4 -","- C35 H37 N3 O4 -","- C280 H296 N24 O32 -","8","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0572","0.0484","","","0.1339","0.1407","","","","","","1.047","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245262","9.1302","0.0002","13.9867","0.0003","16.3192","0.0004","92.098","0.002","98.572","0.002","96.26","0.002","2045.45","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 N6 O4 -","- C48 H48 N6 O4 -","- C96 H96 N12 O8 -","2","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0516","0.0489","","","0.1398","0.1422","","","","","","1.095","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245263","9.092","0.0001","12.2035","0.0002","17.7698","0.0003","91.628","0.001","98.436","0.001","103.488","0.001","1892.49","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","- C88 H92 N12 O8 -","2","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0507","0.0472","","","0.1326","0.1358","","","","","","1.083","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245264","9.2111","0.0003","11.8322","0.0004","14.3846","0.0004","91.725","0.002","104.91","0.002","102.633","0.002","1472.07","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H68 N6 O4 -","- C78 H68 N6 O4 -","- C78 H68 N6 O4 -","1","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0693","0.0627","","","0.1888","0.197","","","","","","1.061","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245265","14.2245","0.0002","8.7296","0.0002","20.7083","0.0004","90","","100.815","0.002","90","","2525.76","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C128 H120 N8 O8 -","4","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0724","0.0578","","","0.1563","0.1678","","","","","","1.055","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245266","18.669","0.0001","8.6554","0.0001","24.232","0.0002","90","","106.744","0.001","90","","3749.58","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H94 N8 O10 -","- C88 H94 N8 O10 -","- C176 H188 N16 O20 -","2","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0401","0.038","","","0.1007","0.1025","","","","","","1.041","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245267","12.1268","0.0002","13.029","0.0002","18.1703","0.0002","84.497","0.001","76.103","0.001","89.967","0.001","2773.28","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C68 H68 N8 O4 -","- C68 H68 N8 O4 -","- C136 H136 N16 O8 -","2","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","","1.54184","CuKα","","0.0525","0.0485","","","0.1436","0.1479","","","","","","1.092","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245270","6.9489","0.0007","9.7256","0.001","23.026","0.002","90","","90","","90","","1556.1","0.3","90","","90","","","","","","","","","4","P 2 2 21","P 2c 2","17","","(S)-Nicotinium Orotate Hemihydrate","","- C30 H38 N8 O9 -","- C30 H38 N8 O9 -","- C60 H76 N16 O18 -","2","0.5","","Angevine, Devin J.; Camacho, Kristine Joy; Rzayev, Javid; Benedict, Jason B.","Transforming liquid nicotine into a stable solid through crystallization with orotic acid","CrystEngComm","2022","","","","","10.1039/D2CE00764A","","","0.71073","MoKα","","0.053","0.0497","","","0.1075","0.1088","","","","","","1.157","","","","has coordinates","277084","2022-08-05","22:29:17",""
"7245272","20.773","0.004","12.132","0.002","22.87","0.005","90","","114.95","0.03","90","","5226","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Co N5 O17 -","- C56 H61 Co N5 O17 -","- C224 H244 Co4 N20 O68 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.7","synchrotron","","0.0883","0.0734","","","0.2278","0.2406","","","","","","1.073","","","","has coordinates,has disorder","277149","2022-08-06","22:27:41",""
"7245273","20.469","0.002","12.0889","0.0013","22.945","0.002","90","","114.455","0.001","90","","5168.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cu N5 O17 -","- C56 H61 Cu N5 O17 -","- C224 H244 Cu4 N20 O68 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.71073","MoKα","","0.0905","0.0671","","","0.1834","0.2047","","","","","","1.073","","","","has coordinates,has disorder","277149","2022-08-06","22:27:48",""
"7245274","20.963","0.004","12.279","0.003","22.875","0.005","90","","115.26","0.03","90","","5325","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N5 O20 Zn -","- C52 H53 N5 O20 Zn -","- C208 H212 N20 O80 Zn4 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.7","synchrotron","","0.1566","0.0917","","","0.2832","0.3215","","","","","","0.963","","","","has coordinates,has disorder","277149","2022-08-06","22:27:49",""
"7245275","20.952","0.004","12.383","0.003","23.012","0.005","90","","115.3","0.03","90","","5398","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Co N5 O21 -","- C54 H57 Co N5 O21 -","- C216 H228 Co4 N20 O84 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.76","synchrotron","","0.1446","0.1024","","","0.3113","0.3424","","","","","","1.16","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245276","20.698","0.004","12.339","0.003","22.916","0.005","90","","114.74","0.03","90","","5315","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cu N5 O20 -","- C52 H53 Cu N5 O20 -","- C208 H212 Cu4 N20 O80 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.76","synchrotron","","0.1466","0.0789","","","0.2355","0.2694","","","","","","0.921","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245277","20.708","0.004","12.244","0.002","22.873","0.004","90","","115.467","0.002","90","","5235.9","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N5 Ni O20 -","- C52 H53 N5 Ni O20 -","- C208 H212 N20 Ni4 O80 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.71073","MoKα","","0.1786","0.0926","","","0.2338","0.3093","","","","","","1.025","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245279","8.0179","0.0003","11.4272","0.0004","14.0709","0.0004","106.52","0.0019","99.721","0.002","90.059","0.002","1216.6","0.07","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F6 N2 O6 Zn -","- C24 H15 F6 N2 O6 Zn -","- C48 H30 F12 N4 O12 Zn2 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.1171","0.055","","","0.1145","0.1372","","","","","","1.033","","","","has coordinates,has disorder","277175","2022-08-09","22:26:40",""
"7245280","10.2175","0.0007","10.8608","0.0008","12.9436","0.0009","100.942","0.004","93.868","0.003","93.873","0.004","1402.29","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C56 H48 Co2 N8 O18 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.04","0.0326","","","0.0881","0.0922","","","","","","1.051","","","","has coordinates,has disorder","277175","2022-08-09","22:26:42",""
"7245281","29.4273","0.0018","7.7225","0.0005","23.3183","0.0015","90","","102.639","0.002","90","","5170.7","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H16 Co F6 N2 O5.25 -","- C24.25 H16 Co F6 N2 O5.25 -","- C194 H128 Co8 F48 N16 O42 -","8","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.1036","0.0535","","","0.0954","0.1104","","","","","","1.001","","","","has coordinates,has disorder","277175","2022-08-09","22:26:42",""
"7245282","10.4975","0.0002","13.756","0.0002","19.0781","0.0003","90","","92.3309","0.001","90","","2752.67","0.08","194","2","194","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O8 Zn -","- C29 H26 N4 O8 Zn -","- C116 H104 N16 O32 Zn4 -","4","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.064","0.0435","","","0.1044","0.1135","","","","","","1.032","","","","has coordinates","277175","2022-08-09","22:26:43",""
"7245283","7.8859","0.0002","11.7193","0.0002","13.9414","0.0003","106.699","0.0012","99.4523","0.0012","90.4589","0.0008","1215.25","0.05","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 Co F6 N2 O5 -","- C24 H15 Co F6 N2 O5 -","- C48 H30 Co2 F12 N4 O10 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.0346","0.0277","","","0.0645","0.0678","","","","","","1.059","","","","has coordinates","277175","2022-08-09","22:26:43",""
"7245284","13.6794","0.0009","14.2186","0.0014","19.2169","0.0009","103.136","0.006","103.532","0.004","92.497","0.005","3520.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Co2 F12 N8 O21 -","- C62 H62 Co2 F12 N8 O21 -","- C124 H124 Co4 F24 N16 O42 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.0673","0.0478","","","0.1268","0.138","","","","","","1.034","","","","has coordinates,has disorder","277175","2022-08-09","22:26:43",""
"7245285","20.26","0.003","20.26","0.003","10.904","0.002","90","","90","","120","","3876.1","1.1","293.1","","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 Co6 N24 O19 -","- C36 H24 Co6 N24 O19 -","- C108 H72 Co18 N72 O57 -","3","0.166667","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.0985","0.074","","","0.1484","0.1588","","","","","","1.227","","","","has coordinates","277176","2022-08-09","22:28:03",""
"7245286","13.702","0.003","13.702","0.003","11.139","0.002","90","","90","","90","","2091.3","0.7","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H27 Co4 N19 O17 -","- C24 H19 Co4 N19 O17 -","- C48 H38 Co8 N38 O34 -","2","0.25","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.1812","0.0987","","","0.1503","0.1816","","","","","","1.163","","","","has coordinates,has disorder","277176","2022-08-09","22:28:04",""
"7245289","16.313","0.002","6.9761","0.001","7.9052","0.0009","90","","90","","90","","899.6","0.2","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","C6H12N2O4P","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","1","","Wang, Duanliang; Sun, Defu; Zhang, Shoubao; Leng, Jiancai; Hou, Ruoxian; Chen, Hanzhang; Sun, Jie; Dang, Yangyang; Shen, Chuan-Ying","A novel 2-(Aminomethyl)pyridineH2PO4 crystal with second-order nonlinear optical performance","CrystEngComm","2022","","","","","10.1039/D2CE00731B","","","0.71073","MoKα","","0.0604","0.0371","","","0.0729","0.0818","","","","","","1.048","","","","has coordinates","277196","2022-08-10","22:38:06",""
"7245290","9.0543","0.0002","13.035","0.0002","34.3367","0.0006","90","","90","","90","","4052.51","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl F5 N2 O1.5 -","- C21 H17 Cl F5 N2 O1.5 -","- C168 H136 Cl8 F40 N16 O12 -","8","2","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0643","0.0524","","","0.1186","0.1323","","","","","","1.117","","","","has coordinates","277197","2022-08-10","22:38:56",""
"7245291","13.1986","0.0003","9.3685","0.0003","32.0246","0.0009","90","","90","","90","","3959.88","0.19","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl F5 N2 O -","- C21 H16 Cl F5 N2 O -","- C168 H128 Cl8 F40 N16 O8 -","8","1","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0392","0.0351","","","0.0906","0.0934","","","","","","1.045","","","","has coordinates","277197","2022-08-10","22:38:57",""
"7245292","8.1315","0.0006","13.22","0.001","14.3234","0.0009","84.858","0.003","89.157","0.003","89.327","0.003","1533.3","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C64 H84 N4 O24 -","4","2","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.1167","0.0558","","","0.1171","0.1409","","","","","","1.002","","","","has coordinates","277208","2022-08-11","22:30:35",""
"7245293","7.8932","0.001","26.076","0.003","8.2119","0.001","90","","107.482","0.014","90","","1612.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0959","0.0691","","","0.1751","0.2043","","","","","","1.082","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245294","8.2376","0.0005","18.954","0.0012","19.6823","0.0012","90","","90","","90","","3073.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0718","0.0428","","","0.0953","0.1095","","","","","","1.012","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245295","9.4849","0.001","8.8446","0.0009","19.102","0.002","90","","95.807","0.004","90","","1594.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.1071","0.053","","","0.1082","0.1296","","","","","","1.032","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245296","7.7282","0.0007","9.9974","0.001","19.2246","0.0017","83.079","0.004","81.948","0.003","89.975","0.004","1459.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C64 H68 N4 O28 -","4","4","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0861","0.0573","","","0.111","0.1242","","","","","","1.022","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245297","8.5398","0.0003","11.8631","0.0004","17.8926","0.0007","90","","90","","90","","1812.67","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 K O6 -","- C12 H29 K O6 -","- C48 H116 K4 O24 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0417","0.0338","","","0.059","0.0613","","","","","","1.054","","","","has coordinates","277221","2022-08-12","22:40:37",""
"7245298","24.9888","0.001","6.3547","0.0003","9.8148","0.0004","90","","90","","90","","1558.55","0.12","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H23 K O8 -","- C12 H23 K O8 -","- C48 H92 K4 O32 -","4","0.5","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0596","0.0551","","","0.1355","0.1377","","","","","","1.166","","","","has coordinates","277221","2022-08-12","22:40:38",""
"7245299","15.4395","0.0012","10.8481","0.0009","10.6569","0.0008","90","","99.627","0.003","90","","1759.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 K O8 -","- C14 H27 K O8 -","- C56 H108 K4 O32 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.068","0.047","","","0.0873","0.094","","","","","","1.09","","","","has coordinates,has disorder","277221","2022-08-12","22:40:38",""
"7245300","8.016","0.003","15.184","0.007","21.635","0.009","90","","90","","90","","2633.3","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0448","0.0348","","","0.072","0.0764","","","","","","1.123","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245301","7.903","0.002","14.943","0.004","21.449","0.006","90","","90","","90","","2533","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0773","0.0545","","","0.0846","0.0933","","","","","","1.102","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245302","6.8068","0.0001","7.989","0.0002","25.3855","0.0004","90","","96.693","0.002","90","","1371.04","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O5 S -","- C12 H12 N4 O5 S -","- C48 H48 N16 O20 S4 -","4","1","","Hao, Xinghui; Li, Jinhui; Wang, Chenguang; Zhao, Xinghua; He, Xin; Sun, Changquan Calvin","Profoundly improved photostability of dimetronidazole by cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE00597B","","x-ray","1.54184","CuKα","","0.0443","0.0425","","","0.11","0.1113","","","","","","1.051","","","","has coordinates","277224","2022-08-12","22:41:40",""
"7245303","4.2851","0.0003","4.2851","0.0003","11.3128","0.0012","90","","90","","120","","179.9","0.03","150","","150","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Zhao, Xuewen; Xu, Xuequan; Zhao, Rongzheng; Gu, Mengyue; Yang, Na; Huang, Lei; Fu, Chengcheng; Cheng, Yonghong; Zhang, Jinying","A hetero-phase growth method to control the crystal growth of β-antimony single crystals with high quality and large sizes","CrystEngComm","2022","","","","","10.1039/D2CE00743F","","","0.71073","MoKα","","0.0525","0.0525","","","0.1186","0.1186","","","","","","1.093","","","","has coordinates","277225","2022-08-12","22:42:01",""
"7245308","16.7917","0.0008","15.9499","0.0008","24.5755","0.0013","90","","90","","90","","6582","0.6","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","SQNU-22","","- C68 H94 F2 Mg5 N10 O24 -","- C48 H52 F2 Mg5 N4 O20 -","- C192 H208 F8 Mg20 N16 O80 -","4","0.25","","Zhang, Jian-Wei; Li, Xi; Yu, Rui-Ying; Zhang, Jinping; Chen, Ya; Li, Jieqiong","An unusual F-bridged dual-trinuclear Mg-organic framework as luminescent thermometer for highly efficient low-temperature detection","CrystEngComm","2022","","","","","10.1039/D2CE01008A","","","0.71073","MoKα","","0.0725","0.0522","","","0.1372","0.1471","","","","","","1.053","","","","has coordinates,has disorder","277240","2022-08-13","22:28:33",""
"7245309","10.9467","0.0011","11.045","0.0014","11.7816","0.0013","90","","112.707","0.004","90","","1314.1","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C60 H72 O14 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0555","0.0412","","","0.0852","0.0951","","","","","","1.049","","","","has coordinates","277241","2022-08-13","22:29:15",""
"7245310","10.8459","0.0007","11.2095","0.0007","11.9727","0.0008","90","","114.141","0.002","90","","1328.3","0.15","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0539","0.0411","","","0.0873","0.0959","","","","","","1.066","","","","has coordinates","277241","2022-08-13","22:29:16",""
"7245311","7.9741","0.0007","17.3556","0.0014","18.7197","0.0016","90","","91.808","0.003","90","","2589.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N5 O7 Sm -","- C29 H19 N5 O7 Sm -","- C116 H76 N20 O28 Sm4 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0456","0.0308","","","0.0693","0.074","","","","","","1.036","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245312","7.9218","0.0003","17.3785","0.0005","18.616","0.0006","90","","92.595","0.001","90","","2560.22","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Dy N5 O7 -","- C29 H19 Dy N5 O7 -","- C116 H76 Dy4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0475","0.0305","","","0.0637","0.0685","","","","","","1.025","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245313","8.0169","0.0002","17.3406","0.0005","18.8595","0.0006","90","","91.347","0.001","90","","2621.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Ce N5 O7 -","- C29 H19 Ce N5 O7 -","- C116 H76 Ce4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0625","0.0365","","","0.0757","0.0829","","","","","","1.035","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245314","7.9574","0.0004","17.3656","0.0009","18.6899","0.0009","90","","92.077","0.002","90","","2581","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Eu N5 O7 -","- C29 H19 Eu N5 O7 -","- C116 H76 Eu4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0568","0.0341","","","0.0714","0.0777","","","","","","1.045","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245315","7.9316","0.0008","17.3837","0.0018","18.6295","0.0019","90","","92.512","0.003","90","","2566.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N5 O7 Tb -","- C29 H19 N5 O7 Tb -","- C116 H76 N20 O28 Tb4 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0748","0.04","","","0.0696","0.078","","","","","","1.028","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245316","8.0812","0.0002","10.1708","0.0002","13.7159","0.0003","90","","92.804","0.002","90","","1125.99","0.04","149.8","0.7","149.8","0.7","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0316","0.03","","","0.0743","0.0762","","","","","","1.05","","","","has coordinates","277262","2022-08-16","22:28:26",""
"7245317","7.0619","0.0006","10.1071","0.001","12.5228","0.0011","93.828","0.008","101.369","0.007","108.957","0.008","820.47","0.14","294.5","0.5","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H12 Cl0 F2 N2 O0 S4 -","- C15 H12 F2 N2 S4 -","- C30 H24 F4 N4 S8 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0912","0.0678","","","0.1636","0.1856","","","","","","1.035","","","","has coordinates","277262","2022-08-16","22:28:27",""
"7245318","31.2707","0.0011","9.2527","0.0004","10.954","0.0004","90","","90","","90","","3169.4","0.2","297","1","297","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C96 H112 S48 -","8","2","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0568","0.0441","","","0.1032","0.1136","","","","","","1.027","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7245319","6.177","0.0003","10.9534","0.0006","11.7837","0.0008","90","","96.154","0.005","90","","792.68","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0392","0.0357","","","0.0942","0.0973","","","","","","1.02","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245320","6.1216","0.0003","10.8073","0.0005","11.7028","0.0006","90","","95.501","0.004","90","","770.67","0.07","150.01","0.1","150.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0394","0.0362","","","0.0946","0.0982","","","","","","0.909","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245321","13.7056","0.0002","13.7056","0.0002","23.9209","0.0005","90","","90","","90","","4493.38","0.13","150","0.1","150","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C144 H192 S64 -","8","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0579","0.0486","","","0.1004","0.1045","","","","","","1.153","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245322","6.1944","0.0003","11.0828","0.0005","16.564","0.0009","90","","92.272","0.004","90","","1136.25","0.1","294.73","0.1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 S4 -","- C9 H12 S4 -","- C36 H48 S16 -","4","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0786","0.0693","","","0.1612","0.1696","","","","","","1.065","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245323","8.2148","0.0004","10.2029","0.0004","13.8985","0.0008","90","","93.622","0.005","90","","1162.57","0.1","293","0.1","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0555","0.0441","","","0.1121","0.1166","","","","","","1.07","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245324","8.1638","0.0004","15.558","0.003","16.203","0.003","68.67","0.01","88.608","0.008","87.047","0.008","1914.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H14 F6 P S6 -","- C12 H14 F6 P S6 -","- C48 H56 F24 P4 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","0.71073","MoKα","","0.0884","0.0491","","","0.102","0.1157","","","","","","1.016","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245325","7.6595","0.0001","14.5463","0.0002","22.7605","0.0003","95.079","0.001","99.545","0.001","90.995","0.001","2489.66","0.06","149.9","0.5","149.9","0.5","","","","","","","","5","P 1","P 1","1","","","","- C24 H14 F4 N4 S6 -","- C24 H14 F4 N4 S6 -","- C96 H56 F16 N16 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0477","0.046","","","0.1242","0.1285","","","","","","1.039","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245326","6.3369","0.0005","6.341","0.0005","6.5675","0.0006","85.841","0.007","73.143","0.007","89.946","0.006","251.84","0.04","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","x-ray","0.71073","MoKα","","0.0406","0.0393","","","0.1027","0.104","","","","","","1.075","","","","has coordinates","277263","2022-08-16","22:29:33",""
"7245327","6.3867","0.0008","12.7855","0.0016","6.3889","0.0008","90","","90.165","0.001","90","","521.7","0.11","297","","297","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Ba H8 O14 P2 V2 -","- Ba H8 O14 P2 V2 -","- Ba2 H16 O28 P4 V4 -","2","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0305","0.0248","","","0.0524","0.0551","","","","","","1.046","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245328","9.0039","0.0003","8.9895","0.0003","12.7798","0.0005","90","","100.406","0.003","90","","1017.39","0.06","297","","297","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 O14 P2 Sr V2 -","- H8 O14 P2 Sr V2 -","- H32 O56 P8 Sr4 V8 -","4","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0303","0.0295","","","0.0656","0.0661","","","","","","1.032","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245343","10.0227","0.0003","10.0227","0.0003","9.8795","0.0004","90","","90","","120","","859.48","0.05","17.5","0.9","17.5","0.9","","","","","","","","5","P 31","P 31","144","NCLBA","N-chloro-N'-(p-fluorophenyl)-benzamidine","","- C13 H10 Cl F N2 -","- C13 H10 Cl F N2 -","- C39 H30 Cl3 F3 N6 -","3","1","","Destro, Riccardo; Barzaghi, Mario; Soave, Raffaella; Roversi, Pietro; Lo Presti, Leonardo","Accurate experimental characterization of the labile N–Cl bond in N-chloro-N'-(p-fluorophenyl)-benzamidine crystal at 17.5 K","CrystEngComm","2022","","","","","10.1039/D2CE00957A","","","0.71073","MoKα","","0.0159","0.0159","","","0.014","0.014","","","","","","0.9652","","","","has coordinates","277291","2022-08-17","22:39:07",""
"7245344","9.8648","0.0005","9.8648","0.0005","13.7921","0.0017","90","","90","","120","","1162.35","0.17","298.15","","298.15","","","","","","","","","5","R 3 :H","R 3","146","","[MDABCO]CsI3","","- C7 H16 Cs I3 N2 -","- C7 H16 Cs I3 N2 -","- C21 H48 Cs3 I9 N6 -","3","0.333333","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","","0.534","synchrotron","","0.0394","0.0393","","","0.1139","0.1141","","","","","","1.199","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245345","14.8238","0.0004","10.1333","0.0003","16.4441","0.0004","90","","90.577","0.002","90","","2470.01","0.12","290.3","0.2","290.3","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[MDABCO]NH4Cl3","","- C7 H20 Cl3 N3 -","- C7 H20 Cl3 N3 -","- C56 H160 Cl24 N24 -","8","2","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0523","0.0417","","","0.1027","0.1102","","","","","","1.041","","","","has coordinates,has disorder","277292","2022-08-17","22:39:50",""
"7245346","14.1838","0.001","9.9322","0.0006","9.6159","0.0006","90","","90","","90","","1354.65","0.15","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","[MDABCO]RbBr3","","- C7 H16 Br3 N2 Rb -","- C7 H16 Br3 N2 Rb -","- C28 H64 Br12 N8 Rb4 -","4","1","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0788","0.0817","","","","","","1.056","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245357","9.7633","0.0003","14.2131","0.0004","18.8859","0.0005","90","","98.257","0.002","90","","2593.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 F6 O9 P3 Pb S2 -","- C11 H27 F6 O9 P3 Pb S2 -","- C44 H108 F24 O36 P12 Pb4 S8 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","x-ray","0.71073","MoKα","","0.0293","0.0223","","","0.0432","0.0447","","","","","","1.026","","","","has coordinates","277311","2022-08-18","22:34:33",""
"7245358","24.5947","0.0004","24.5947","0.0004","7.8897","0.0001","90","","90","","120","","4133.08","0.11","100","","100","","","","","","","","","7","P -3","-P 3","147","","","","- C12 H29.33 F6 O9 P3 S2 Sn -","- C11 H27 F6 O9 P3 S2 Sn -","- C66 H162 F36 O54 P18 S12 Sn6 -","6","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","","0.71073","MoKα","","0.0223","0.0193","","","0.0472","0.048","","","","","","1.043","","","","has coordinates,has disorder","277311","2022-08-18","22:34:34",""
"7245359","7.4815","0.0004","32.2385","0.0019","10.5446","0.0007","90","","106.562","0.002","90","","2437.8","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I6 N4 O2 S -","- C12 H14 I6 N4 O2 S -","- C48 H56 I24 N16 O8 S4 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0384","0.0311","","","0.0656","0.0675","","","","","","1.127","","","","has coordinates","277360","2022-08-23","22:33:30",""
"7245360","9.862","0.0002","6.3853","0.0002","25.0333","0.0005","90","","90","","90","","1576.39","0.07","100","2","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 I N5 S -","- C14 H12 I N5 S -","- C56 H48 I4 N20 S4 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0362","0.028","","","0.0529","0.0578","","","","","","1.061","","","","has coordinates","277360","2022-08-23","22:33:31",""
"7245361","10.789","0.002","12.598","0.003","15.026","0.003","107.107","0.009","95.518","0.008","111.229","0.008","1771.8","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Bi4 I20 N10 S2 -","- C28 H26 Bi4 I20 N10 S2 -","- C28 H26 Bi4 I20 N10 S2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0307","0.0275","","","0.0605","0.0613","","","","","","1.243","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245362","8.3663","0.0005","24.1622","0.0012","12.9374","0.0008","90","","106.602","0.002","90","","2506.2","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Bi2 I9 N8 O3 S2 -","- C24 H25 Bi2 I9 N8 O3 S2 -","- C48 H50 Bi4 I18 N16 O6 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0324","0.0299","","","0.0711","0.0718","","","","","","1.084","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245363","10.3658","0.0001","13.9906","0.0002","21.5956","0.0003","97.057","0.001","94.932","0.001","110.74","0.001","2878.31","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Fe2 I32 N20 O6 -","- C60 H54 Fe2 I32 N20 O6 -","- C60 H54 Fe2 I32 N20 O6 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0634","0.0472","","","0.121","0.1303","","","","","","1.09","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245364","13.5105","0.0005","14.6827","0.0007","17.4311","0.0008","93.901","0.002","101.189","0.002","91.407","0.002","3381.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11.5 H11.25 I3 N6.75 -","- C11.5 H11.25 I3 N6.75 -","- C92 H90 I24 N54 -","8","4","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0343","0.0241","","","0.0506","0.0567","","","","","","1.08","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7245365","25.1259","0.0013","7.4309","0.0004","21.0334","0.0009","90","","102.923","0.002","90","","3827.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 I10 N12 -","- C20 H16 I10 N12 -","- C80 H64 I40 N48 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0357","0.0263","","","0.0531","0.0587","","","","","","1.14","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245366","13.1812","0.0004","13.8011","0.0004","14.1644","0.0005","108.449","0.001","99.637","0.002","115.406","0.001","2065.08","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Bi4 I16 N24 O4 -","- C44 H52 Bi4 I16 N24 O4 -","- C44 H52 Bi4 I16 N24 O4 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0408","0.032","","","0.0623","0.0683","","","","","","1.241","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245367","8.734","0.0004","14.0058","0.0006","16.2738","0.0008","109.15","0.002","90.654","0.002","96.535","0.002","1865.82","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 I8 N8 S2 -","- C26 H20 I8 N8 S2 -","- C52 H40 I16 N16 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0187","0.0161","","","0.0328","0.0341","","","","","","1.074","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245368","11.1882","0.0005","14.4203","0.0006","17.124","0.0008","109.244","0.002","91.431","0.002","97.814","0.002","2576.9","0.2","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Bi4 I20 N20 -","- C64 H68 Bi4 I20 N20 -","- C64 H68 Bi4 I20 N20 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0398","0.0308","","","0.0604","0.0659","","","","","","1.122","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245369","11.3588","0.0006","11.5129","0.0006","34.8748","0.0017","92.184","0.002","93.977","0.002","106.355","0.002","4357.7","0.4","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","1","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.061","0.0458","","","0.1029","0.1125","","","","","","1.015","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245370","8.0951","0.0004","12.8879","0.0007","16.9574","0.0009","78.7","0.002","89.492","0.002","77.193","0.002","1690.59","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 I12 N25 S2 -","- C42 H39 I12 N25 S2 -","- C42 H39 I12 N25 S2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0163","0.0139","","","0.0277","0.0286","","","","","","1.079","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245371","7.3464","0.0002","26.937","0.0004","24.3715","0.0005","90","","94.853","0.002","90","","4805.59","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 I15 N8 -","- C22 H21 I15 N8 -","- C88 H84 I60 N32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0341","0.026","","","0.0454","0.0477","","","","","","1.052","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245372","13.3176","0.0006","16.6001","0.0007","19.8556","0.0008","103.605","0.002","96.773","0.002","111.876","0.002","3855","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H34.57 Fe I20.29 N14.86 -","- C41.712 H34.568 Fe I20.2878 N14.856 -","- C83.424 H69.136 Fe2 I40.5756 N29.712 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0404","0.0342","","","0.0721","0.0771","","","","","","1.09","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245373","21.203","0.0012","11.4331","0.0005","40.625","0.002","90","","90.697","0.002","90","","9847.4","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Bi8 I28 N12 S2 -","- C32 H32 Bi8 I28 N12 S2 -","- C128 H128 Bi32 I112 N48 S8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0453","0.0317","","","0.0531","0.057","","","","","","1.058","","","","has coordinates,has disorder","277360","2022-08-23","22:33:33",""
"7245374","7.7763","0.0006","25.918","0.002","17.0369","0.0013","90","","99.309","0.003","90","","3388.5","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I6 N8 S2 -","- C24 H18 I6 N8 S2 -","- C96 H72 I24 N32 S8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0253","0.0217","","","0.0505","0.0531","","","","","","1.111","","","","has coordinates,has disorder","277360","2022-08-23","22:33:33",""
"7245375","14.9488","0.0011","10.702","0.0007","25.0852","0.0019","90","","106.469","0.003","90","","3848.5","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Bi6 I22 N8 O2 S2 -","- C26 H28 Bi6 I22 N8 O2 S2 -","- C52 H56 Bi12 I44 N16 O4 S4 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0299","0.021","","","0.0409","0.0427","","","","","","1.042","","","","has coordinates","277360","2022-08-23","22:33:33",""
"7245379","34.073","0.006","25.957","0.004","36.353","0.006","90","","101.438","0.003","90","","31513","9","190","1","190","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","cluster-1","","- C178 H138 Cl24 N22 O62 S6 Tb5 Zn6 -","- C178 H138 Cl24 N22 O62 S6 Tb5 Zn6 -","- C712 H552 Cl96 N88 O248 S24 Tb20 Zn24 -","4","0.5","","Zhu, Ting; Chen, Ya; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Luminescent Eleven-metal Zn(II)-Tb(III) Nanocluster for Rapid and Quantitative Time-gated Detection of Guanosine-5-monophoshpate and RNA","CrystEngComm","2022","","","","","10.1039/D2CE00753C","","","0.71073","MoKα","","0.1855","0.0952","","","0.2119","0.2314","","","","","","1.099","","","","has coordinates","277391","2022-08-24","22:29:33",""
"7245387","11.6287","0.0012","12.9682","0.0014","15.0674","0.0014","98.887","0.005","106.858","0.005","108.238","0.004","1988.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JHP-20210114","","","- C52 H24 F8 N6 -","- C52 H24 F8 N6 -","- C104 H48 F16 N12 -","2","1","","Mandal, Arkalekha; Nath, Bhaskar","Unravelling Supramolecular Features and Opto-electronic Properties of Binary Charge Transfer Cocrystal of Blue Fluorescent Di-carbazole and TFT","CrystEngComm","2022","","","","","10.1039/D2CE00555G","","","0.71073","MoKα","","0.0803","0.044","","","0.0956","0.1134","","","","","","1.02","","","","has coordinates","277446","2022-08-29","22:41:23",""
"7245388","19.8689","0.0016","31.487","0.003","21.8015","0.0016","90","","116.894","0.003","90","","12164.1","1.8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H108 Dy4 N34 O16 -","- C102 H108 Dy4 N34 O16 -","- C408 H432 Dy16 N136 O64 -","4","0.5","","Ashebr, Tesfay; Li, Xiao-Lei; Zhao, Chen; Yang, Qianqian; Tang, Jinkui","Bis-pyrazolone-based dysprosium(III) complexes: zero-field single-molecule magnet behavior in the [2 × 2] grid DyIII4 cluster","CrystEngComm","2022","","","","","10.1039/D2CE01067D","","","0.71073","MoKα","","0.21","0.141","","","0.3459","0.4093","","","","","","1.05","","","","has coordinates","277447","2022-08-29","22:42:33",""
"7245389","35.329","0.003","16.683","0.0014","30.194","0.002","90","","104.51","0.003","90","","17229","2","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C164 H166 Dy2 N36 O12 -","- C164 H166 Dy2 N36 O12 -","- C656 H664 Dy8 N144 O48 -","4","0.5","","Ashebr, Tesfay; Li, Xiao-Lei; Zhao, Chen; Yang, Qianqian; Tang, Jinkui","Bis-pyrazolone-based dysprosium(III) complexes: zero-field single-molecule magnet behavior in the [2 × 2] grid DyIII4 cluster","CrystEngComm","2022","","","","","10.1039/D2CE01067D","","","0.71073","MoKα","","0.1495","0.0778","","","0.1872","0.2455","","","","","","1.013","","","","has coordinates","277447","2022-08-29","22:42:33",""
"7245390","12.9911","0.0013","15.8935","0.0013","14.8351","0.0012","90","","103.145","0.004","90","","2982.8","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N7 O10 -","- C29 H25 Co N7 O10 -","- C116 H100 Co4 N28 O40 -","4","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.0797","0.0531","","","0.1185","0.1341","","","","","","1.021","","","","has coordinates","277470","2022-08-30","22:39:58",""
"7245391","21.4068","0.0007","30.3931","0.0011","14.7301","0.0005","90","","103.833","0.002","90","","9305.7","0.6","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H19 Co2 N5 O8 -","- C27 H19 Co2 N5 O8 -","- C216 H152 Co16 N40 O64 -","8","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.0683","0.0449","","","0.1336","0.1525","","","","","","1.054","","","","has coordinates,has disorder","277470","2022-08-30","22:39:59",""
"7245392","22.2002","0.0013","20.6167","0.0012","41.73","0.002","90","","100.495","0.002","90","","18780.1","1.8","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H72 Co3 N18 O16 -","- C100 H72 Co3 N18 O16 -","- C800 H576 Co24 N144 O128 -","8","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.1056","0.0675","","","0.1551","0.1737","","","","","","1.032","","","","has coordinates","277470","2022-08-30","22:39:59",""
"7245394","12.0541","0.0015","12.5825","0.0013","13.7766","0.0016","79.249","0.005","81.329","0.006","83.791","0.006","2022.5","0.4","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 Cd3 N4 O14 -","- C68 H44 Cd3 N4 O12 -","- C68 H44 Cd3 N4 O12 -","1","0.5","","Song, Xing; Hu, Xiao-Li; Lin, Zi-Han; Ma, Chaohong; Su, Zhong-Min","Methyl Blue@CUST-580 composite as a simultaneous fluorescence-enhanced dual-emission platform for enhanced detection of antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00901C","","","0.71073","MoKα","","0.0491","0.0318","","","0.0734","0.0808","","","","","","1.029","","","","has coordinates","277510","2022-08-31","22:36:35",""
"7245395","17.3887","0.0009","7.8689","0.0004","23.0857","0.0009","90","","90","","90","","3158.8","0.3","296","0.4","296","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C120 H112 N32 O48 -","8","1","","Gupta, Poonam; Allu, Suryanarayana; Hazarika, Pragyan J.; Ray, Nisha R.; Nangia, Ashwini K.; Nath, Naba K.","Fast and reversible bidirectional photomechanical response displayed by a flexible polycrystalline aggregate of a hydrazone","CrystEngComm","2022","","","","","10.1039/D2CE00829G","","x-ray","0.71073","MoKα","","0.1571","0.057","","","0.1252","0.1698","","","","","","0.982","","","","has coordinates","277511","2022-08-31","22:37:08",""
"7245408","8.074","0.0002","31.7168","0.0005","16.219","0.0003","90","","100.863","0.002","90","","4078.96","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 K N10 O6 -","- C42 H34 K N10 O6 -","- C168 H136 K4 N40 O24 -","4","1","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0491","0.0353","","","0.0868","0.0916","","","","","","1.042","","","","has coordinates","277563","2022-09-01","22:32:17",""
"7245409","6.4442","0.0001","35.1206","0.0006","8.0868","0.0002","90","","99.84","0.002","90","","1803.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H32 K N8 O6 -","- C40 H32 K N8 O6 -","- C80 H64 K2 N16 O12 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0379","0.0332","","","0.0884","0.0908","","","","","","1.04","","","","has coordinates,has disorder","277563","2022-09-01","22:32:18",""
"7245410","7.8459","0.0003","14.5336","0.0004","17.8334","0.0004","96.62","0.001","93.222","0.002","101.779","0.002","1970.77","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 K N8 O6 -","- C44 H32 K N8 O6 -","- C88 H64 K2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.1159","0.0842","","","0.1545","0.1698","","","","","","1.166","","","","has coordinates","277563","2022-09-01","22:32:18",""
"7245411","8.0104","0.0002","36.7367","0.0011","15.8116","0.0004","90","","98.291","0.003","90","","4604.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H92 K2 N24 O12 -","- C96 H92 K2 N24 O12 -","- C192 H184 K4 N48 O24 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.1401","0.0688","","","0.1398","0.1632","","","","","","1.017","","","","has coordinates","277563","2022-09-01","22:32:19",""
"7245412","7.9514","0.0002","9.9644","0.0003","16.7703","0.0004","87.136","0.002","79.011","0.002","80.148","0.003","1284.92","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 K N12 O6 -","- C56 H48 K N12 O6 -","- C56 H48 K N12 O6 -","1","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.04","0.035","","","0.0955","0.0979","","","","","","1.053","","","","has coordinates","277563","2022-09-01","22:32:19",""
"7245413","7.7825","0.0001","6.9335","0.0001","14.6928","0.0001","90","","94.847","0.001","90","","789.988","0.016","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","pyrene-TFBQ","","- C11 H5 F2 O -","- C11 H5 F2 O -","- C44 H20 F8 O4 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0299","0.0279","","","0.0807","0.0826","","","","","","1.083","","","","has coordinates","277564","2022-09-01","22:34:06",""
"7245414","6.6151","0.0001","6.9308","0.0001","18.4853","0.0002","90","","93.482","0.001","90","","845.95","0.02","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","chrysene-TFBQ","","- C12 H6 F2 O -","- C12 H6 F2 O -","- C48 H24 F8 O4 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0318","0.0299","","","0.0841","0.0859","","","","","","1.047","","","","has coordinates","277564","2022-09-01","22:34:06",""
"7245415","6.67424","0.00004","7.45602","0.00005","17.58647","0.00011","90","","91.9097","0.0006","90","","874.674","0.01","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","BA-TFBQ","","- C24 H12 F4 O2 -","- C24 H12 F4 O2 -","- C48 H24 F8 O4 -","2","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1004","0.1005","","","","","","1.066","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7245416","6.9263","0.0002","14.175","0.0004","17.3722","0.0007","90","","96.986","0.003","90","","1692.95","0.1","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","triphenylene-TFBQ","","- C24 H12 F4 O2 -","- C24 H12 F4 O2 -","- C96 H48 F16 O8 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0941","0.0888","","","0.2312","0.2341","","","","","","1.169","","","","has coordinates","277564","2022-09-01","22:34:07",""
"7245417","13.3355","0.0006","7.8283","0.0003","16.6774","0.0008","90","","92.888","0.002","90","","1738.81","0.13","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1-Ethylimidazolium)2 MnCl4","","- C10 H16 Cl4 Mn N4 -","- C10 H16 Cl4 Mn N4 -","- C40 H64 Cl16 Mn4 N16 -","4","2","","Fu, Hanmei; Jiang, Chunli; Luo, Chunhua; Lin, Hechun; Peng, Hui","Manganese Halide Hybrids with Reversible Luminous Color and Application for White Light-emitting Diode","CrystEngComm","2022","","","","","10.1039/D2CE00883A","","","1.54178","CuKα","","0.0786","0.0702","","","0.1735","0.1815","","","","","","1.272","","","","has coordinates","277565","2022-09-01","22:34:50",""
"7245421","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0592","0.0547","","","0.1546","0.1564","","","","","","1.054","","","","has coordinates","277605","2022-09-02","22:41:32",""
"7245422","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5 H6 N6 O0.33 -","- C5 H6 N6 O0.333167 -","- C90 H108 N108 O5.997 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0812","0.0754","","","0.2165","0.2189","","","","","","1.105","","","","has coordinates,has disorder","277605","2022-09-02","22:41:32",""
"7245423","10.7265","0.0005","11.3448","0.0002","11.6327","0.0004","109.619","0.003","108.625","0.003","107.919","0.003","1118.77","0.09","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C30 H36 N36 -","6","3","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0838","0.0804","","","0.2401","0.2466","","","","","","1.095","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7245424","14.97434","0.00081","12.37809","0.00044","6.76487","0.00019","90","","90","","90","","1253.89","0.09","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-aminoadenine","2,6-diaminopurine","","- C5 H6 N6 -","- C5 H6 N6 -","- C40 H48 N48 -","8","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","powder diffraction","","0.71073","MoKα","","","","","","","","0.023","","1.97","","","","","","","has coordinates","277605","2022-09-02","22:41:33",""
"7245425","18.8851","0.0018","20.5134","0.0019","31.983","0.004","90","","90","","90","","12390","2","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C31 H23 Cl2 N5 O7 Zn2 -","- C31 H23 Cl2 N5 O7 Zn2 -","- C496 H368 Cl32 N80 O112 Zn32 -","16","0.5","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","0.71073","Mo–Kα","","0.0334","0.0285","","","0.0791","0.0813","","","","","","1.067","","","","has coordinates,has disorder","277606","2022-09-02","22:43:00",""
"7245426","8.1997","0.0008","8.2594","0.0008","9.3849","0.0009","83.57","0.001","74.962","0.001","64.832","0.001","555.55","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Cu N2 O7 -","- C9 H9 Cu N2 O7 -","- C18 H18 Cu2 N4 O14 -","2","1","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","0.71073","MoKα","","0.0277","0.025","","","0.074","0.0746","","","","","","1.161","","","","has coordinates","277606","2022-09-02","22:43:00",""
"7245427","10.9875","0.0002","12.293","0.0002","27.5133","0.0005","90","","90","","90","","3716.2","0.11","125","2","125","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cu N3 O8 -","- C19 H17 Cu N3 O8 -","- C152 H136 Cu8 N24 O64 -","8","2","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","1.54178","CuKα","","0.0274","0.0263","","","0.0737","0.0745","","","","","","1.043","","","","has coordinates","277606","2022-09-02","22:43:01",""
"7245429","8.0159","0.0005","7.6491","0.0006","15.2205","0.0011","90","","94.218","0.006","90","","930.71","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl2 Co N8 O2 -","- C14 H16 Cl2 Co N8 O2 -","- C28 H32 Cl4 Co2 N16 O4 -","2","0.5","","Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui","Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis","CrystEngComm","2022","","","","","10.1039/D2CE01069K","","","0.71073","MoKα","","0.0429","0.0346","","","0.0925","0.104","","","","","","1.05","","","","has coordinates","277613","2022-09-03","22:30:40",""
"7245430","7.0384","0.0008","10.3897","0.0008","12.6776","0.0011","90","","95.857","0.01","90","","922.23","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Co N8 O2 -","- C14 H16 Cl2 Co N8 O2 -","- C28 H32 Cl4 Co2 N16 O4 -","2","0.5","","Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui","Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis","CrystEngComm","2022","","","","","10.1039/D2CE01069K","","","0.71073","MoKα","","0.0326","0.026","","","0.0632","0.0694","","","","","","1.064","","","","has coordinates","277613","2022-09-03","22:30:50",""
"7245431","5.1679","0.0007","10.3878","0.0018","10.5431","0.0014","113.875","0.015","90.888","0.011","99.321","0.012","508.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N4 O10 -","- C18 H18 Cu N4 O10 -","- C18 H18 Cu N4 O10 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0693","0.0493","","","0.1023","0.1115","","","","","","1.05","","","","has coordinates","277614","2022-09-03","22:34:05",""
"7245432","7.0897","0.0005","12.7224","0.0007","17.114","0.0011","90","","90","","90","","1543.65","0.17","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Cl Cu N4 O6 -","- C12 H11 Cl Cu N4 O6 -","- C48 H44 Cl4 Cu4 N16 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0597","0.035","","","0.0747","0.0859","","","","","","1.02","","","","has coordinates,has disorder","277614","2022-09-03","22:34:16",""
"7245433","8.2351","0.0007","10.7703","0.001","11.2831","0.0009","71.752","0.008","77.454","0.007","74.439","0.008","905.83","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu N4 O12 -","- C32 H50 Cu N4 O12 -","- C32 H50 Cu N4 O12 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0742","0.0524","","","0.0991","0.1104","","","","","","1.026","","","","has coordinates,has disorder","277614","2022-09-03","22:34:17",""
"7245434","8.9697","0.0004","14.8584","0.0005","7.6158","0.0004","90","","102.409","0.005","90","","991.29","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N2 O6 -","- C8 H8 Cu N2 O6 -","- C32 H32 Cu4 N8 O24 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0465","0.0358","","","0.0859","0.0915","","","","","","1.006","","","","has coordinates","277614","2022-09-03","22:34:18",""
"7245435","15.9487","0.0009","6.1547","0.0004","21.6085","0.001","90","","107.375","0.005","90","","2024.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu N4 O7 -","- C18 H22 Cu N4 O7 -","- C72 H88 Cu4 N16 O28 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0481","0.039","","","0.0901","0.0963","","","","","","1.047","","","","has coordinates","277614","2022-09-03","22:34:24",""
"7245436","7.5251","0.0003","14.0673","0.0006","20.2503","0.0007","90","","90","","90","","2143.65","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 Cu N5 O7 -","- C18 H21 Cu N5 O7 -","- C72 H84 Cu4 N20 O28 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0556","0.0416","","","0.0915","0.1","","","","","","0.995","","","","has coordinates","277614","2022-09-03","22:34:40",""
"7245437","7.949","0.0004","14.2074","0.001","8.5744","0.0004","90","","97.604","0.004","90","","959.83","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C36 H40 Cu2 N8 O12 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.0508","0.0382","","","0.0893","0.0975","","","","","","1.062","","","","has coordinates,has disorder","277614","2022-09-03","22:34:44",""
"7245438","16.1144","0.0006","16.1144","0.0006","16.2242","0.001","90","","90","","90","","4213","0.3","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H32 Cu F6 N9 O5.5 Si -","- C27 H24 Cu F6 N9 O5.5 Si -","- C108 H96 Cu4 F24 N36 O22 Si4 -","4","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.1195","0.0636","","","0.1591","0.1875","","","","","","1.037","","","","has coordinates,has disorder","277614","2022-09-03","22:34:58",""
"7245439","8.0458","0.0007","8.4741","0.0006","8.6258","0.0006","84.174","0.006","62.42","0.008","82.413","0.007","516.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.6 H23 Cu N4 O6.9 -","- C18.6 H22.4 Cu N4 O6.9 -","- C18.6 H22.4 Cu N4 O6.9 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.0446","0.0398","","","0.0995","0.1034","","","","","","1.076","","","","has coordinates,has disorder","277614","2022-09-03","22:35:01",""
"7245440","10.4648","0.0012","17.6569","0.0018","16.962","0.002","90","","96.147","0.011","90","","3116.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cu3 N6 O14.5 -","- C22 H17 Cu3 N6 O14.5 -","- C88 H68 Cu12 N24 O58 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.229","0.1645","","","0.3106","0.3441","","","","","","1.087","","","","has coordinates","277614","2022-09-03","22:35:02",""
"7245445","10.9897","0.0003","10.9897","0.0003","5.9946","0.0003","90","","90","","90","","723.99","0.05","293","2","293","2","","","","","","","","4","P 4","P 4","75","","","","- Al Li3 O9.5 P2 -","- Al Li3 O9.5 P2 -","- Al4 Li12 O38 P8 -","4","1","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0436","0.0429","","","0.1297","0.1325","","","","","","0.809","","","","has coordinates","277693","2022-09-06","22:30:43",""
"7245446","7.396","0.0006","9.7388","0.0007","8.2067","0.0007","90","","106.039","0.009","90","","568.1","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Na O7 P2 -","- Al Na O7 P2 -","- Al4 Na4 O28 P8 -","4","0.5","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0746","0.0693","","","0.2036","0.2135","","","","","","1.118","","","","has coordinates","277693","2022-09-06","22:30:44",""
"7245447","13.584","0.002","9.6137","0.0012","15.958","0.002","90","","106.26","0.005","90","","2000.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C72 H48 Co4 N8 O20 -","4","1","","Xie, Wei; Yuan, Yuan; Jiang, Wei; Zhang, Shu-Ran; Xu, Guangjuan; Xu, Yanhong; Su, Zhong-Min","Heterogeneous activation of peroxymonosulfate by stable Co-MOF for efficient degradation of organic dye pollutant","CrystEngComm","2022","","","","","10.1039/D2CE00932C","","","0.71073","MoKα","","0.065","0.0513","","","0.1422","0.1526","","","","","","1.054","","","","has coordinates","277694","2022-09-06","22:31:09",""
"7245448","23.571","0.003","22.245","0.003","23.653","0.003","90","","101.993","0.006","90","","12131","3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C210 H170 Co8 N4 O42 S8 -","- C210 H170 Co8 N4 O42 S8 -","- C420 H340 Co16 N8 O84 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1292","0.1129","","","0.2567","0.2667","","","","","","1.115","","","","has coordinates,has disorder","277720","2022-09-07","22:44:57",""
"7245449","46.824","0.01","23.576","0.005","40.269","0.009","90","","102.204","0.012","90","","43449","16","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C190 H269 N22 Ni6 O54 S8 -","- C142 H157 N6 Ni6 O38 S8 -","- C1136 H1256 N48 Ni48 O304 S64 -","8","1","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1496","0.1039","","","0.3","0.3344","","","","","","1.052","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245450","16.457","0.004","16.11","0.004","23.679","0.008","90","","98.337","0.012","90","","6211","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H83 Fe N3 O18 S4 -","- C48 H64 Fe N2 O15 S4 -","- C192 H256 Fe4 N8 O60 S16 -","4","1","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1504","0.1494","","","0.4642","0.4707","","","","","","1.088","","","","has coordinates,has disorder","277720","2022-09-07","22:44:58",""
"7245451","23.513","0.002","22.1099","0.0018","24.667","0.002","90","","102.983","0.004","90","","12495.8","1.8","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H276 N20 Ni8 O58 S8 -","- C214 H178 N6 Ni8 O44 S8 -","- C428 H356 N12 Ni16 O88 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1862","0.1711","","","0.399","0.4068","","","","","","1.165","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245452","22.514","","22.114","","24.366","","90","","99.54","","90","","11963.4","","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C208 H164 Mn8 N4 O42 S8 -","- C208 H164 Mn8 N4 O42 S8 -","- C416 H328 Mn16 N8 O84 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1815","0.1467","","","0.3197","0.3434","","","","","","1.057","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245453","13.631","0.0008","19.4305","0.0011","22.666","0.0014","80.495","0.003","88.866","0.003","76.732","0.003","5761.8","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C236 H236 Mg8 N14 O50 S8 -","- C224 H208 Mg8 N10 O46 S8 -","- C224 H208 Mg8 N10 O46 S8 -","1","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1186","0.1115","","","0.2602","0.2641","","","","","","1.072","","","","has coordinates,has disorder","277720","2022-09-07","22:44:58",""
"7245454","7.6295","0.0002","8.7769","0.0005","11.3046","0.0006","101.353","0.002","92.999","0.003","97.446","0.003","733.56","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole guanidinium hydrate","Sulfathiazole guanidinium hydrate (1:1:1)","","- C10 H16 N6 O3 S2 -","- C10 H16 N6 O3 S2 -","- C20 H32 N12 O6 S4 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0283","0.027","","","0.0698","0.0706","","","","","","1.064","","","","has coordinates","277721","2022-09-07","22:46:08",""
"7245455","10.6023","0.0003","8.1642","0.0002","35.1366","0.0012","90","","90","","90","","3041.4","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfathiazole, N-methylacetamide solvate","Sulfathiazole, N-methylacetamide (1:1) solvate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0755","0.0444","","","0.0995","0.1109","","","","","","1.031","","","","has coordinates,has disorder","277721","2022-09-07","22:46:08",""
"7245459","16.3935","0.0011","7.022","0.0005","23.5881","0.0015","90","","104.313","0.002","90","","2631.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.31 H48.62 Cl8.62 N4 O4 -","- C54.31 H48.62 Cl8.62 N4 O4 -","- C108.62 H97.24 Cl17.24 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0639","0.0634","","","0.194","0.1944","","","","","","1.067","","","","has coordinates,has disorder","277735","2022-09-08","22:28:50",""
"7245460","16.326","0.002","7.0749","0.0009","23.55","0.003","90","","105.465","0.003","90","","2621.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 Cl4 N4 O5 -","- C56 H54 Cl4 N4 O5 -","- C112 H108 Cl8 N8 O10 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0716","0.064","","","0.2289","0.2478","","","","","","1.267","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245461","16.0547","0.0009","7.0993","0.0005","23.8784","0.0015","90","","103.423","0.003","90","","2647.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br4 N8 O7.58 -","- C48 H40 Br4 N8 O7.6 -","- C96 H80 Br8 N16 O15.2 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.1861","0.125","","","0.3357","0.3648","","","","","","1.145","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245462","16.0547","0.0009","7.0993","0.0005","23.8784","0.0015","90","","103.423","0.003","90","","2647.2","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.1507","0.1003","","","0.2746","0.2992","","","","","","1.07","","","","has coordinates","277735","2022-09-08","22:28:51",""
"7245463","16.4154","0.0014","7.0285","0.0006","23.505","0.002","90","","105.531","0.004","90","","2612.9","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl4 N4 O4 -","- C52 H44 Cl4 N4 O4 -","- C104 H88 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0478","0.0383","","","0.1033","0.1076","","","","","","1.084","","","","has coordinates","277735","2022-09-08","22:28:51",""
"7245464","16.08","0.006","6.799","0.005","24.38","0.011","90","","102.86","0.03","90","","2599","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 N8 O10 -","- C48 H40 Cl4 N8 O10.004 -","- C96 H80 Cl8 N16 O20.008 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54184","CuKα","","0.0605","0.0545","","","0.1445","0.1476","","","","","","1.12","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245465","16.4154","0.0014","7.0285","0.0006","23.505","0.002","90","","105.531","0.004","90","","2612.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl4 N4 O7.64 -","- C52 H44 Cl4 N4 O7.638 -","- C104 H88 Cl8 N8 O15.276 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0633","0.0512","","","0.1498","0.1586","","","","","","1.05","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245466","16.08","0.006","6.799","0.005","24.38","0.011","90","","102.86","0.03","90","","2599","2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 N8 O4 -","- C48 H40 Cl4 N8 O4 -","- C96 H80 Cl8 N16 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54184","CuKα","","0.0587","0.054","","","0.157","0.16","","","","","","1.076","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245471","6.0309","0.0011","15.898","0.002","17.1914","0.0016","90","","90.932","0.007","90","","1648.1","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-chlorophenyl)(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)methanone","","- C18 H11 Cl F3 N3 O2 -","- C18 H11 Cl F3 N3 O2 -","- C72 H44 Cl4 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","1.54178","CuKα","","0.0419","0.0388","","","0.1071","0.1103","","","","","","1.047","","","","has coordinates","277778","2022-09-12","22:36:54",""
"7245472","5.9853","0.0002","15.8708","0.0005","17.1004","0.0006","90","","90.897","0.001","90","","1624.19","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-bromophenyl)(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)methanone","","- C18 H11 Br F3 N3 O2 -","- C18 H11 Br F3 N3 O2 -","- C72 H44 Br4 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0335","0.026","","","0.0565","0.0594","","","","","","1.0342","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245473","6.0869","0.0003","15.3931","0.0008","17.535","0.0009","90","","92.951","0.002","90","","1640.79","0.14","110.38","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoimidazole","(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)(4-methoxyphenyl)methanone","","- C19 H14 F3 N3 O3 -","- C19 H14 F3 N3 O3 -","- C76 H56 F12 N12 O12 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0593","0.0459","","","0.1111","0.1199","","","","","","1.0683","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245474","6.0391","0.0002","15.7043","0.0006","17.1155","0.0006","90","","91.874","0.001","90","","1622.36","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)(p-tolyl)methanone","","- C19 H14 F3 N3 O2 -","- C19 H14 F3 N3 O2 -","- C76 H56 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0502","0.0396","","","0.095","0.1009","","","","","","1.0562","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245476","7.6215","0.0003","9.4093","0.0003","11.0937","0.0004","78.343","0.001","82.571","0.001","66.452","0.001","713.22","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O7 Zn -","- C14 H13 N O7 Zn -","- C28 H26 N2 O14 Zn2 -","2","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0203","0.0185","","","0.0486","0.0491","","","","","","1.077","","","","has coordinates","277817","2022-09-13","22:33:41",""
"7245477","22.8351","0.0004","15.4202","0.0003","9.6337","0.0002","90","","90","","90","","3392.24","0.11","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C38 H26 N4 O10 Zn2 -","- C38 H26 N4 O10 Zn2 -","- C152 H104 N16 O40 Zn8 -","4","0.5","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0452","0.0277","","","0.0616","0.0688","","","","","","1.036","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245478","31.1984","0.0017","7.5749","0.0004","18.5912","0.001","90","","103.223","0.002","90","","4277.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O6 Zn -","- C24 H19 N3 O6 Zn -","- C192 H152 N24 O48 Zn8 -","8","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0271","0.0236","","","0.0616","0.0636","","","","","","1.029","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245479","10.0832","0.0003","10.6327","0.0004","11.3485","0.0003","93.508","0.001","106.005","0.001","113.333","0.001","1053.68","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cd N3 O5 -","- C24 H17 Cd N3 O5 -","- C48 H34 Cd2 N6 O10 -","2","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0216","0.0196","","","0.0512","0.0523","","","","","","1.105","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245480","32.549","0.003","7.6144","0.0006","18.9947","0.0014","90","","104.521","0.002","90","","4557.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N3 O6 -","- C26 H19 Cd N3 O6 -","- C208 H152 Cd8 N24 O48 -","8","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0201","0.0192","","","0.0519","0.0525","","","","","","1.056","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245481","16.6814","0.0008","18.4271","0.0009","20.884","0.001","106.146","0.002","102.283","0.002","101.556","0.002","5790.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Br6 Er N3 -","- C60 H66 Br6 Er N3 -","- C240 H264 Br24 Er4 N12 -","4","2","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0898","0.0531","","","0.0924","0.1039","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:03",""
"7245482","18.885","0.012","18.885","0.012","28.24","0.02","90","","90","","120","","8722","10","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C63 H45 Er F18 O5.02 P2 -","- C63 H45 Er F18 O5.0233 P2 -","- C378 H270 Er6 F108 O30.1398 P12 -","6","0.333333","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.2037","0.108","","","0.2474","0.3017","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245483","15.7102","0.0003","15.8031","0.0003","18.5149","0.0003","90","","92.749","0.001","90","","4591.4","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Cl3 Er F6 O5 -","- C50 H46 Cl3 Er F6 O5 -","- C200 H184 Cl12 Er4 F24 O20 -","4","1","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0342","0.0256","","","0.0554","0.0586","","","","","","1.013","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245484","12.326","0.004","19.924","0.007","22.015","0.008","79.645","0.008","76.492","0.008","89.899","0.008","5167","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 Er F30 O6 -","- C51 H27 Er F30 O6 -","- C204 H108 Er4 F120 O24 -","4","2","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.1632","0.1258","","","0.3244","0.3648","","","","","","1.258","","","","has coordinates","277848","2022-09-14","22:29:08",""
"7245485","12.3834","0.0003","13.1486","0.0003","45.3406","0.0012","90","","93.026","0.001","90","","7372.3","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H65 Er F15 O7 P3 -","- C82 H65 Er F15 O7 P3 -","- C328 H260 Er4 F60 O28 P12 -","4","1","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0796","0.0722","","","0.1446","0.1482","","","","","","1.23","","","","has coordinates,has disorder","277848","2022-09-14","22:29:17",""
"7245486","14.1582","0.0002","14.7759","0.0003","14.9206","0.0003","70.4003","0.001","73.135","0.0011","69.4031","0.0011","2699.64","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N12 O28 P5 -","- C36 H67 N12 O28 P5 -","- C72 H134 N24 O56 P10 -","2","1","","Bowman-James, Kristin; Pramanik, Subhamay; Day, Victor W.; Thordarson, Pall","Oligomeric phosphate clusters in macrocyclic channels","CrystEngComm","2022","","","","","10.1039/D2CE00756H","","","1.54178","CuKα","","0.0654","0.043","","","0.1059","0.1181","","","","","","1.037","","","","has coordinates,has disorder","277849","2022-09-14","22:30:09",""
"7245487","7.848","0.009","9.214","0.011","11.37","0.02","105.48","0.03","103.44","0.03","106.57","0.02","715.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N O9 Zn -","- C14 H6 N O9 Zn -","- C28 H12 N2 O18 Zn2 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.143","0.0963","","","0.271","0.3176","","","","","","1.084","","","","has coordinates","277850","2022-09-14","22:31:49",""
"7245488","32.038","0.01","15.044","0.005","9.632","0.003","90","","94.159","0.006","90","","4630","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 Co3 N2 O33 -","- C28 H12 Co3 N2 O33 -","- C112 H48 Co12 N8 O132 -","4","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0955","0.0778","","","0.2394","0.2591","","","","","","1.093","","","","has coordinates","277850","2022-09-14","22:31:50",""
"7245489","8.227","0.01","8.728","0.01","11.188","0.013","79.03","0.02","89.812","0.019","61.892","0.015","692.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cd N2 O16 -","- C28 H12 Cd N2 O16 -","- C28 H12 Cd N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1239","0.1106","","","0.2578","0.276","","","","","","1.079","","","","has coordinates","277850","2022-09-14","22:31:50",""
"7245490","7.8843","0.0017","8.4605","0.0017","11.499","0.003","77.292","0.005","70.241","0.003","72.421","0.003","682.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cd N O8 -","- C14 H9 Cd N O8 -","- C28 H18 Cd2 N2 O16 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.03","0.027","","","0.0703","0.0717","","","","","","1.038","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245491","8.122","0.008","8.508","0.008","10.995","0.01","78.291","0.015","88.781","0.016","61.903","0.013","653.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Fe N2 O16 -","- C28 H12 Fe N2 O16 -","- C28 H12 Fe N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0511","0.0444","","","0.1315","0.1422","","","","","","1.059","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245492","10.357","0.006","22.994","0.013","10.112","0.006","90","","110.623","0.009","90","","2254","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 Mn2 N6 O16 -","- C52 H34 Mn2 N6 O16 -","- C104 H68 Mn4 N12 O32 -","2","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1147","0.0803","","","0.217","0.2432","","","","","","1.083","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245493","8.13","0.003","8.482","0.003","11.025","0.004","78.243","0.006","88.144","0.006","61.759","0.006","653.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O16 -","- C28 H12 Co N2 O16 -","- C28 H12 Co N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0679","0.054","","","0.1487","0.1709","","","","","","1.095","","","","has coordinates","277850","2022-09-14","22:31:52",""
"7245494","7.89","0.01","12.45","0.016","14","0.02","103.26","0.03","106.01","0.02","103.516","0.019","1220","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N3 O9 -","- C26 H14 Co N3 O9 -","- C52 H28 Co2 N6 O18 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1315","0.0695","","","0.1702","0.2175","","","","","","1.001","","","","has coordinates","277850","2022-09-14","22:31:52",""
"7245498","16.9257","0.0004","12.3615","0.0003","7.6799","0.0002","90","","91.951","0.002","90","","1605.91","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Ca N2 O9 -","- C12 H18 Ca N2 O9 -","- C48 H72 Ca4 N8 O36 -","4","0.5","","Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan","A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells","CrystEngComm","2022","","","","","10.1039/D2CE01258H","","x-ray","0.71073","MoKα","","0.0342","0.031","","","0.0875","0.0897","","","","","","1.005","","","","has coordinates","277960","2022-09-18","22:34:39",""
"7245499","8.981","0.0018","16.792","0.003","8.986","0.0018","90","","119.47","0.03","90","","1179.8","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Ca N2 O4 -","- C12 H8 Ca N2 O4 -","- C48 H32 Ca4 N8 O16 -","4","1","","Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan","A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells","CrystEngComm","2022","","","","","10.1039/D2CE01258H","","","0.710918","Synchrotron","","0.0402","0.0385","","","0.1116","0.1135","","","","","","1.094","","","","has coordinates","277960","2022-09-18","22:34:39",""
"7245500","21.4031","0.0005","27.8054","0.0006","9.7334","0.0002","90","","91.11","0.002","90","","5791.5","0.2","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 N4 -","- C68 H46 N4 -","- C272 H184 N16 -","4","1","","Zhang, Yuzhu; Tang, Fang; He, Xuan; Wang, Chengyuan; Kong, Lin; Yang, Jiaxiang; Ding, Aixiang","Imidazole-based AIEgens for highly sensitive and selective detection of picric acid","CrystEngComm","2022","","","","","10.1039/D2CE00953F","","","1.54178","CuKα","","0.1259","0.0763","","","0.2052","0.2524","","","","","","0.991","","","","has coordinates","277962","2022-09-18","22:35:40",""
"7245501","14.498","","14.504","","17.761","","84.51","","79.25","","61.42","","3222.04","","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N6 O10 Zn2 -","- C40 H26 N6 O10 Zn2 -","- C80 H52 N12 O20 Zn4 -","2","1","","Qin, Bowen; Zhang, Xiaoying; Dang, Jiangyan; Yue, Dan; Zhang, Bing; Li, Weidong; Gahungu, Godefroid; Wang, Zhenling; Zhang, Jingping","A 2-fold interpenetrated zinc-organic framework with triazole sites: luminescent sensing of Fe3+ and Cr2O72-, and warm white-light emission by Ln3+ ions encapsulated","CrystEngComm","2022","","","","","10.1039/D2CE00816E","","","0.71073","MoKα","","0.0795","0.0538","","","0.1447","0.1681","","","","","","1.045","","","","has coordinates,has disorder","277963","2022-09-18","22:36:35",""
"7245502","12.6744","0.0002","23.0269","0.0003","8.4804","0.0001","90","","103.198","0.002","90","","2409.65","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","George, Gary C.; Unruh, Daniel K.; Hutchins, Kristin M.","Use of a Diels–Alder reaction to modify thermal expansion properties in charge-transfer cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE01207C","","x-ray","1.54184","CuKα","","0.0681","0.0624","","","0.1329","0.136","","","","","","1.108","","","","has coordinates,has disorder","277964","2022-09-18","22:36:58",""
"7245503","12.806","0.002","16.361","0.003","17.171","0.003","90","","90","","90","","3597.7","1.1","213","2","213","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H40 Cl Fe N10 S6 -","- C18 H40 Cl Fe N10 S6 -","- C72 H160 Cl4 Fe4 N40 S24 -","4","0.5","","Wang, Ping; Chen, Ming-Kun; Tong, Yu-Qiao; Yin, Shi-Qing; Huang, Bo","Structural phase transition and dielectric relaxation in an organic-inorganic hybrid compound: [(CH3)3NH]4[Fe(SCN)6]Cl","CrystEngComm","2022","","","","","10.1039/D2CE01150F","","","0.71075","MoKα","","0.1668","0.0805","","","0.2031","0.2632","","","","","","1.058","","","","has coordinates,has disorder","277965","2022-09-18","22:37:23",""
"7245507","7.0825","0.0007","12.654","0.0011","17.5329","0.0015","90","","95.762","0.002","90","","1563.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-Diaminopentane acidephtalique;","1,5-Pentanediamine acidephtalique;1,5-Pentanediamine 1,2-phthalicacid","","- C13 H24 N2 O6 -","- C13 H24 N2 O6 -","- C52 H96 N8 O24 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1043","0.0513","","","0.0979","0.1122","","","","","","1.053","","","","has coordinates","277984","2022-09-19","22:26:20",""
"7245508","11.6407","0.0009","10.0447","0.0008","14.8138","0.0012","90","","108.974","0.004","90","","1638","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-Pentanediamine1,2-dicarboxybenzene; 1,2-dicarboxybenzene acidephtalique","1,5-Pentanediamine 1,2-phthalicacid","","- C13 H26 N2 O7 -","- C13 H26 N2 O7 -","- C52 H104 N8 O28 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.095","0.0482","","","0.1034","0.1204","","","","","","1.075","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245509","9.6089","0.0009","8.0476","0.0008","19.0084","0.0017","90","","101.378","0.003","90","","1441","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-pentanediamine 1,2-dicarboxybenzene?1,5-diaminopentane 1,2-phthalicacid","1,5-pentanediamine 1,2-phthalicacid","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C52 H88 N8 O20 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1249","0.0749","","","0.1969","0.2166","","","","","","1.008","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245510","11.3309","0.0009","12.4114","0.0011","14.7248","0.0012","90","","90.451","0.002","90","","2070.7","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamineacidephtalique","1,5-Pentanediamine1,2-phthalicacid","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0433","0.0381","","","0.0974","0.0999","","","","","","1.081","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245511","15.2457","0.0012","18.4249","0.0014","8.4299","0.0006","90","","110.73","0.005","90","","2214.7","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-pentanediamine-o-Phthalic acid salt; 1,5-pentanediamine-1,2-Phthalic acid salt","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","0.5","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1097","0.0592","","","0.1257","0.1397","","","","","","1.028","","","","has coordinates","277984","2022-09-19","22:26:22",""
"7245512","9.4676","0.0008","11.6199","0.0009","14.6569","0.0011","90.349","0.001","99.391","0.002","109.501","0.003","1496.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamine1,2-dicarboxybenzene","1,5-Pentanediamine 1,2-phthalicacid","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C54 H88 N8 O18 -","2","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0832","0.0572","","","0.1574","0.1737","","","","","","1.034","","","","has coordinates,has disorder","277984","2022-09-19","22:26:22",""
"7245513","11.555","0.007","19.054","0.012","23.235","0.016","90","","96.281","0.014","90","","5085","6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C44 H54 Gd N5 O16 P2 -","- C44 H54 Gd N5 O16 P2 -","- C176 H216 Gd4 N20 O64 P8 -","4","0.5","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0775","0.0543","","","0.1312","0.1449","","","","","","1.036","","","","has coordinates,has disorder","278013","2022-09-20","22:33:52",""
"7245514","10.9046","0.0019","11.0745","0.0018","23.236","0.004","87.693","0.005","88.109","0.005","61.649","0.005","2467.2","0.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Gd N5 O16 P2 -","- C44 H54 Gd N5 O16 P2 -","- C88 H108 Gd2 N10 O32 P4 -","2","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0578","0.0439","","","0.1053","0.1132","","","","","","1.035","","","","has coordinates","278013","2022-09-20","22:33:52",""
"7245515","9.8914","0.0006","10.6271","0.0007","24.508","0.0014","81.722","0.002","80.06","0.002","63.522","0.002","2264.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1","","- C40 H46 Gd N5 O16 P2 -","- C40 H46 Gd N5 O16 P2 -","- C80 H92 Gd2 N10 O32 P4 -","2","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.065","0.0485","","","0.1011","0.1075","","","","","","1.054","","","","has coordinates","278013","2022-09-20","22:33:52",""
"7245516","10.0234","0.0008","11.1948","0.0009","13.8853","0.0011","112.863","0.003","91.382","0.003","111.73","0.003","1307.71","0.19","300","2","300","2","","","","","","","","6","P 1","P 1","1","","3","","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","1","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0364","0.0354","","","0.0628","0.0634","","","","","","1.136","","","","has coordinates","278013","2022-09-20","22:33:53",""
"7245517","25.4704","0.0004","10.9922","0.0001","14.0786","0.0002","90","","92.336","0.001","90","","3938.39","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Cd2 O9.5 -","- C22 H10 Cd2 O9.5 -","- C176 H80 Cd16 O76 -","8","1","","Dong, Xiuyan; duqingcuo, li; Li, Yuyan; Sakiyama, Hiroshi; Muddassir, Mohd.; Pan, Ying; Srivastava, Devyani; Kumar, Abhinav","3,8-connected Cd(II)-based metal-organic framework as an apt luminescent sensor for antibiotic sulfasalazine","CrystEngComm","2022","","","","","10.1039/D2CE01079H","","","1.34139","GaKα","","0.1206","0.1098","","","0.2723","0.279","","","","","","1.107","","","","has coordinates,has disorder","278051","2022-09-21","22:28:09",""
"7245529","11.8867","0.001","10.7984","0.0011","14.7513","0.0011","90","","91.235","0.007","90","","1893","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C72 F48 I8 -","4","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","0.71073","MoKα","","0.0551","0.0448","","","0.1107","0.1208","","","","","","1.035","","","","has coordinates","278090","2022-09-22","22:37:52",""
"7245530","7.6232","0.0009","8.0459","0.0007","15.3895","0.0017","90","","101.119","0.011","90","","926.2","0.17","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0537","0.04","","","0.1024","0.1135","","","","","","1.111","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245531","7.8296","0.0001","12.4477","0.0002","23.1195","0.0002","76.301","0.001","81.955","0.001","88.107","0.001","2167.6","0.05","170","2","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H40 Br2 Cl4 F36 I6 N6 -","- C74 H40 Br2 Cl4 F36 I6 N6 -","- C74 H40 Br2 Cl4 F36 I6 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0355","0.0329","","","0.0855","0.087","","","","","","1.014","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245532","9.0859","0.0009","10.7062","0.001","25.696","0.003","82.495","0.008","89.647","0.008","86.629","0.008","2473.9","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C90 H36 Cl2 F48 I8 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0694","0.0516","","","0.1288","0.1432","","","","","","1.004","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245533","25.56024","0.00012","8.05461","0.00004","24.62605","0.0001","90","","91.1507","0.0004","90","","5068.93","0.04","170","2","170","0.1","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C180 H72 Cl4 F96 I16 N12 -","4","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0324","0.0323","","","0.0798","0.0798","","","","","","1.034","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245534","15.6729","0.0002","20.0722","0.0004","32.1725","0.0003","90","","90","","90","","10121.1","0.3","170","2","170","0.14","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C360 H144 Cl8 F192 I32 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0612","0.0469","","","0.1064","0.1189","","","","","","1.175","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245535","7.3349","0.0002","33.8687","0.0019","20.596","0.0008","90","","91.808","0.003","90","","5114","0.4","170","2","170","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8.18 H3.27 F4.36 I0.91 N0.55 O0 -","- C8.18182 H3.27273 F4.36364 I0.909091 N0.545455 -","- C180 H72 F96 I20 N12 -","22","5.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0475","0.0337","","","0.0726","0.0802","","","","","","1.032","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245536","20.5688","0.0018","7.552","0.0004","65.85","0.011","90","","90","","90","","10229","2","170","2","170","0.14","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C360 H144 F192 I40 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0631","0.0541","","","0.1011","0.1046","","","","","","1.207","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245537","10.2153","0.0004","14.8333","0.0006","33.3212","0.0009","80.102","0.003","89.936","0.003","85.987","0.003","4961.4","0.3","170","2","170","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C44 H20 Br F24 I4 N -","- C44 H20 Br F24 I4 N -","- C176 H80 Br4 F96 I16 N4 -","4","2","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0581","0.048","","","0.123","0.1286","","","","","","1.085","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245538","12.5952","0.0001","7.8714","0.0001","26.3715","0.0002","90","","97.166","0.001","90","","2594.1","0.04","170","2","170.02","0.14","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C90 H36 F48 I10 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0411","0.0408","","","0.1034","0.1039","","","","","","1.019","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245539","7.867","","12.3776","0.0001","22.9644","0.0001","75.66","0.001","82.43","0.001","88.64","0.001","2147.5","0.02","170","2","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H40 Cl6 F36 I6 N6 -","- C73.998 H39.996 Cl5.996 F36 I6 N6 -","- C73.998 H39.996 Cl5.996 F36 I6 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0332","0.0322","","","0.0847","0.0855","","","","","","1.033","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245540","7.8456","0.0001","12.5041","0.0003","23.2075","0.0004","76.694","0.002","81.598","0.001","88.024","0.001","2191.81","0.07","170","2","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H40 Cl4.79 F36 I7.21 N6 -","- C74 H40 Cl4.794 F36 I7.206 N6 -","- C74 H40 Cl4.794 F36 I7.206 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0476","0.0444","","","0.102","0.1035","","","","","","1.133","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245541","8.204","0.0004","10.2959","0.0005","12.6309","0.0006","77.925","0.004","86.254","0.004","68.455","0.005","970.32","0.09","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0396","0.0338","","","0.0803","0.0838","","","","","","1.065","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245542","7.7774","0.0004","10.5846","0.0006","13.0896","0.0005","106.273","0.004","98.342","0.004","110.384","0.005","933.67","0.1","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0377","0.0263","","","0.0545","0.0592","","","","","","1.039","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245543","15.4587","0.0004","18.4285","0.0006","26.0855","0.0009","85.737","0.003","78.93","0.003","83.347","0.003","7233.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H112 Dy6 N24 Na5 O39.5 P5 -","- C129 H107 Dy6 N24 Na5 O38 P5 -","- C258 H214 Dy12 N48 Na10 O76 P10 -","2","1","","Sun, Xiao; Chen, Peiqiong; Liu, Yanan; Liu, Hou-Ting; Tian, Haiquan","Structural cutting and recombining in a layered sodium dysprosium phosphonate: key roles of flexible pyrazinyl hydrazone molecular tools","CrystEngComm","2022","","","","","10.1039/D2CE01161A","","","1.54184","CuKα","","0.138","0.0819","","","0.1934","0.2325","","","","","","1.021","","","","has coordinates","278091","2022-09-22","22:39:31",""
"7245544","32.922","0.002","16.3477","0.0006","34.0768","0.0019","90","","113.814","0.007","90","","16778.6","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C139.5 H131 Dy8 N16 Na4 O56 P8 -","- C138 H114 Dy8 N16 Na4 O49 P8 -","- C552 H456 Dy32 N64 Na16 O196 P32 -","4","1","","Sun, Xiao; Chen, Peiqiong; Liu, Yanan; Liu, Hou-Ting; Tian, Haiquan","Structural cutting and recombining in a layered sodium dysprosium phosphonate: key roles of flexible pyrazinyl hydrazone molecular tools","CrystEngComm","2022","","","","","10.1039/D2CE01161A","","","0.71073","MoKα","","0.1532","0.0957","","","0.2342","0.2889","","","","","","0.97","","","","has coordinates","278091","2022-09-22","22:39:32",""
"7245551","12.454","0.0007","5.4805","0.0002","14.1111","0.0007","90","","104.263","0.004","90","","933.45","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.34143","GaKα","","0.1152","0.1118","","","0.2784","0.2849","","","","","","1.258","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245552","9.0988","0.0006","8.741","0.0006","27.1654","0.0017","90","","90","","90","","2160.5","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54178","CuKα","","0.0386","0.0354","","","0.095","0.0984","","","","","","1.015","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245553","8.93","0.0002","15.7218","0.0003","16.4219","0.0003","100.03","0.0015","93.7146","0.0016","96.8981","0.0018","2245.21","0.08","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C81 H56 Cu2 F24 N6 O12 -","- C81 H56 Cu2 F24 N6 O12 -","- C81 H56 Cu2 F24 N6 O12 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.083","0.0758","","","0.2299","0.2463","","","","","","1.07","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245554","11.974","0.0004","24.5642","0.0006","19.0265","0.0006","90","","94.874","0.003","90","","5576.1","0.3","130","","130","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95.6 H60.4 Cl13.2 Cu2 F24 N6 O10 -","- C95.6 H60.4 Cl13.2 Cu2 F24 N6 O10 -","- C191.2 H120.8 Cl26.4 Cu4 F48 N12 O20 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.34143","GaKα","","0.1547","0.1224","","","0.3685","0.4112","","","","","","1.027","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245555","8.9544","0.0002","15.7417","0.0004","16.3905","0.0004","100.053","0.002","94.071","0.002","97.071","0.002","2247.46","0.1","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.1035","0.0932","","","0.2661","0.2839","","","","","","1.04","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245556","9.0105","0.0003","15.1823","0.0004","19.9645","0.0003","109.391","0.002","92.202","0.002","100.595","0.002","2517.69","0.12","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.1225","0.0984","","","0.2869","0.3162","","","","","","1.209","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245557","14.31144","0.0001","14.96748","0.0001","22.80527","0.00013","90","","93.107","0.0006","90","","4877.85","0.05","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80.8 H53.8 Cl5.4 F24 N6 O10 Zn2 -","- C80.3 H52.3 Cl5.4 F24 N6 O10 Zn2 -","- C160.6 H104.6 Cl10.8 F48 N12 O20 Zn4 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.0839","0.0797","","","0.2452","0.2527","","","","","","1.043","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245558","23.49022","0.00013","23.49022","0.00013","23.49022","0.00013","90","","90","","90","","12961.7","0.12","","","295","","","","","","","","Crystallization from a solution of ZrCl4 and 4,9-diamantanedicarboxylic acid in a mixture of DMF and formic acid at 120 degrees Celsius.","4","F m -3 m","-F 4 2 3","225","","catena-[hexakis(μ~4~-4,9-diamantanedicarboxylate)-tetra(μ~3~-oxo)-tetra(μ~3~-hydroxo)-hexazirconium];Additional note: the compound is modulated by formiate. The refined 4,9-diamantanedicarboxylate:formiate ratio is 4.56:2.86,which corresponds to [Zr6O4(OH)4(HCOO)2.86(C16H18O4)4.56] compositioncompared with the idealized, non-modulated [Zr6O4(OH)4(C16H18O4)6].The residual guest molecules in the pores are modeled by O-atoms.","","- C75.963 H82.238 O38.341 Zr6 -","- C75.9588 H82.2312 O38.3408 Zr6 -","- C303.835 H328.925 O153.363 Zr24 -","4","0.0208333","","Gvilava, Vasily; Vieten, Maximilian; Oestreich, Robert; Woschko, Dennis; Steinert, Moritz; Boldog, Ishtvan; Bulanek, Roman; Fokina, Natalie A.; Schreiner, Peter Richard; Janiak, Christoph","A diamantane-4,9-dicarboxylate based UiO-66 analogue: challenging larger hydrocarbon cage platforms","CrystEngComm","2022","","","","","10.1039/D2CE01170K","powder diffraction","x-ray","","CuKα","","0.0346","0.0346","","0.0508","0.0508","","","","5.9","","","","","","","has coordinates,has disorder","278134","2022-09-26","15:24:43",""
"7245559","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.0506","0.0444","","","0.1143","0.1179","","","","","","1.04","","","","has coordinates,has disorder","278135","2022-09-26","15:24:45",""
"7245560","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.038","0.031","","","","0.071","0.039","","","","","1.156","","","","has coordinates","278135","2022-09-26","15:24:45",""
"7245561","9.1299","0.0005","9.5805","0.0006","10.0625","0.0006","101.793","0.001","116.073","0.001","95.318","0.001","757.04","0.08","293","0.2","293","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Cl4 Eu2 N4 O17 -","- C14 H32 Cl4 Eu2 N4 O17 -","- C14 H32 Cl4 Eu2 N4 O17 -","1","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0228","0.0199","","","0.0465","0.0474","","","","","","1.048","","","","has coordinates,has disorder","278136","2022-09-26","15:24:47",""
"7245562","17.191","0.004","9.0546","0.0018","16.425","0.004","90","","90","","90","","2556.7","1","296.1","0.5","296.1","0.5","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H12 Br Ho N2 O8 -","- C8 H12 Br Ho N2 O8 -","- C64 H96 Br8 Ho8 N16 O64 -","8","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0443","0.0415","","","0.1256","0.1272","","","","","","1.112","","","","has coordinates","278136","2022-09-26","15:24:47",""
"7245563","8.791","0.002","11.185","0.003","20.117","0.005","87.302","0.003","86.119","0.003","78.386","0.003","1932","0.8","296.1","0.1","296.1","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H43 Br3 N6 O23 Tb2 -","- C21 H43 Br3 N6 O23 Tb2 -","- C42 H86 Br6 N12 O46 Tb4 -","2","1","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.1259","0.0968","","","0.2422","0.25","","","","","","1.129","","","","has coordinates,has disorder","278136","2022-09-26","15:24:47",""
"7245564","12.7703","0.0008","16.1875","0.001","22.0193","0.0014","90","","96.415","0.003","90","","4523.3","0.5","193","","193","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H30 Cd4 N4 O22 -","- C44 H30 Cd4 N4 O22 -","- C176 H120 Cd16 N16 O88 -","4","1","","Dong, Xiuyan; Li, Yuyan; Li, Duqingcuo; Liao, Donghui; Qin, Tianrui; Prakash, Om; Kumar, Abhinav; Liu, Jianqiang","A new 3D 8-connected Cd(ii) MOF as a potent photocatalyst for oxytetracycline antibiotic degradation","CrystEngComm","2022","","","","","10.1039/D2CE01121B","","","1.34139","GaKα","","0.0385","0.0328","","","0.0694","0.0717","","","","","","1.049","","","","has coordinates","278137","2022-09-26","15:24:48",""
"7245569","8.1283","0.0007","23.4063","0.0019","11.9716","0.001","90","","108.067","0.009","90","","2165.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl4 Cu2 N8 O28 -","- C28 H16 Cl4 Cu2 N8 O28 -","- C56 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","0.71073","MoKα","","0.076","0.0565","","","0.1459","0.161","","","","","","1.043","","","","has coordinates","278225","2022-09-27","22:31:33",""
"7245570","6.9081","0.0004","8.0731","0.0005","11.5005","0.0008","105.515","0.006","92.979","0.005","97.637","0.005","609.95","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Cu2 N2 O11 -","- C7 H8 Cu2 N2 O11 -","- C14 H16 Cu4 N4 O22 -","2","1","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","1.54178","CuKα","","0.0388","0.0327","","","0.086","0.0912","","","","","","1.032","","","","has coordinates","278225","2022-09-27","22:31:34",""
"7245571","8.1404","0.0003","14.6857","0.0008","14.8527","0.0007","111.203","0.005","104.809","0.004","99.771","0.004","1531.23","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl3 Cu2 N6 O22 -","- C21 H13 Cl3 Cu2 N6 O22 -","- C42 H26 Cl6 Cu4 N12 O44 -","2","1","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","0.71073","MoKα","","0.0394","0.0305","","","0.0726","0.0774","","","","","","1.027","","","","has coordinates","278225","2022-09-27","22:31:34",""
"7245592","8.1803","0.0004","16.3866","0.0009","17.4409","0.0009","90","","102.774","0.002","90","","2280","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 Ni O6 -","- C24 H22 N4 Ni O6 -","- C96 H88 N16 Ni4 O24 -","4","1","","Çiftçi, Esengül; Alp Arıcı, Tuğba; Arıcı, Mürsel; Erer, Hakan; Yeşilel, Okan Zafer","Synthesis, characterization and dye adsorption property of a 2D nickel(ii)-coordination polymer constructed from tetracarboxylic acid and 1,3-bis(imidazol-1-yl-methyl)benzene","CrystEngComm","2022","","","","","10.1039/D2CE00897A","","","0.71073","MoKα","","0.0506","0.0369","","","0.0895","0.0965","","","","","","1.04","","","","has coordinates","278282","2022-09-30","22:30:29",""
"7245593","7.2685","0.0003","12.4304","0.0006","14.1913","0.0006","108.995","0.004","101.944","0.004","92.083","0.004","1178.65","0.1","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag F6 N6 O2 P -","- C18 H22 Ag F6 N6 O2 P -","- C36 H44 Ag2 F12 N12 O4 P2 -","2","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.03","0.0281","","","0.0755","0.0775","","","","","","1.029","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245594","10.4701","0.0001","14.7904","0.0001","10.5256","0.0001","90","","100.659","0.001","90","","1601.84","0.02","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 F6 I N2 O P -","- C11 H16 F6 I N2 O P -","- C44 H64 F24 I4 N8 O4 P4 -","4","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.0235","0.0229","","","0.058","0.0584","","","","","","1.036","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245595","9.9264","0.0003","13.3351","0.0004","14.6878","0.0005","103.504","0.003","99.401","0.002","90.172","0.002","1863.36","0.11","119.97","0.1","119.97","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 F6 I N4 O2 P -","- C14 H16 F6 I N4 O2 P -","- C56 H64 F24 I4 N16 O8 P4 -","4","2","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.063","0.0555","","","0.1436","0.1512","","","","","","1.083","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245596","8.1008","0.0004","10.1196","0.0007","12.4667","0.0006","98.71","0.005","92.055","0.004","105.936","0.005","968.14","0.1","200.01","0.1","200.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 F6 I N4 O2 P -","- C14 H16 F6 I N4 O2 P -","- C28 H32 F12 I2 N8 O4 P2 -","2","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.066","0.0611","","","0.1642","0.1735","","","","","","1.027","","","","has coordinates,has disorder","278283","2022-09-30","22:31:38",""
"7245597","8.1283","0.0007","23.4063","0.0019","11.9716","0.001","90","","108.067","0.009","90","","2165.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl4 Cu2 N8 O28 -","- C28 H16 Cl4 Cu2 N8 O28 -","- C56 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","0.71073","MoKα","","0.076","0.0565","","","0.1459","0.161","","","","","","1.043","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245598","6.9081","0.0004","8.0731","0.0005","11.5005","0.0008","105.515","0.006","92.979","0.005","97.637","0.005","609.95","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Cu2 N2 O11 -","- C7 H8 Cu2 N2 O11 -","- C14 H16 Cu4 N4 O22 -","2","1","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","1.54178","CuKα","","0.0388","0.0327","","","0.086","0.0912","","","","","","1.032","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245599","8.1404","0.0003","14.6857","0.0008","14.8527","0.0007","111.203","0.005","104.809","0.004","99.771","0.004","1531.23","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl3 Cu2 N6 O22 -","- C21 H13 Cl3 Cu2 N6 O22 -","- C42 H26 Cl6 Cu4 N12 O44 -","2","1","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","0.71073","MoKα","","0.0394","0.0305","","","0.0726","0.0774","","","","","","1.027","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245600","4.3989","0.0019","11.809","0.016","10.981","0.005","90","","126.69","0.07","90","","457.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H4 O -","- C H4 O -","- C12 H48 O12 -","12","3","","Aldum, J. Collen; Jones, Isabelle; McGonigal, Paul R.; Spagnoli, Dino; Stapleton, Nicholas D.; Turner, Gemma F.; Moggach, Stephen A.","The structure of methanol at 5.09 GPa: the fortuitous formation of a new high-pressure phase","CrystEngComm","2022","","","","","10.1039/D2CE01157C","","x-ray","0.71073","MoKα","","0.1061","0.0858","","","0.2219","0.2442","","","","","","1.155","","","","has coordinates","278286","2022-09-30","22:32:59",""
"7245602","32.9318","0.0018","26.33","0.002","20.9841","0.0009","90","","126.265","0.005","90","","14670.6","1.8","123","2","123","0.2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10 -","- C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10 -","- C322.4 H454 Cl1.6 Cu28 I28 N10.8 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.1234","0.0808","","","0.2257","0.2508","","","","","","1.045","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245603","32.9341","0.0014","26.3182","0.0014","20.9738","0.0007","90","","126.718","0.004","90","","14572.4","1.3","123.01","0.1","123.01","0.1","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C319.2 H448.8 Cu28 I28 N9.6 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.1032","0.077","","","0.2283","0.2431","","","","","","1.065","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245604","32.9254","0.0014","26.3712","0.0012","21.0009","0.0006","90","","126.93","0.004","90","","14576.3","1.3","123","0.1","123","0.2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C319.2 H448.8 Cu28 I28 N9.6 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.114","0.0742","","","0.2113","0.235","","","","","","0.97","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245609","13.747","0.014","14.758","0.015","27.87","0.03","100.735","0.013","95.345","0.012","114.55","0.011","4960","9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C5.18 H12 La0.12 Mo1.41 N0.24 O8 P1.06 -","- C5.17647 H12 La0.117647 Mo1.41176 N0.235294 O8 P1.05882 -","- C88 H204 La2 Mo24 N4 O136 P18 -","17","8.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1742","0.0879","","","0.2091","0.2461","","","","","","1.115","","","","has coordinates","278369","2022-10-05","22:19:28",""
"7245610","14.04","0.0015","15.0002","0.0016","15.2701","0.0018","68.94","0.003","67.689","0.002","65.66","0.001","2631","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 Mo12 O64 P9 Sm -","- C40 H96 Mo12 O64 P9 Sm -","- C40 H96 Mo12 O64 P9 Sm -","1","0.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.2387","0.1384","","","0.3081","0.3491","","","","","","1.154","","","","has coordinates,has disorder","278369","2022-10-05","22:19:29",""
"7245611","13.7382","0.0013","14.6869","0.0014","27.76","0.003","100.262","0.003","95.45","0.002","114.794","0.005","4912.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Ce Mo12 N2 O68 P9 -","- C44 H102 Ce Mo12 N2 O68 P9 -","- C88 H204 Ce2 Mo24 N4 O136 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1591","0.0733","","","0.1522","0.1774","","","","","","1.101","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245612","13.7418","0.0014","14.678","0.0015","27.787","0.003","100.421","0.003","95.337","0.002","114.467","0.005","4928.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Mo12 N2 O68 P9 Pr -","- C44 H102 Mo12 N2 O68 P9 Pr -","- C88 H204 Mo24 N4 O136 P18 Pr2 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1991","0.0972","","","0.2319","0.2679","","","","","","1.216","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245613","13.7674","0.0014","14.6533","0.0015","27.613","0.003","100.341","0.003","95.132","0.002","114.438","0.004","4905.1","0.9","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H91 Eu Mo12 N2 O64 P9 -","- C44 H91 Eu Mo12 N2 O64 P9 -","- C88 H182 Eu2 Mo24 N4 O128 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1589","0.071","","","0.1662","0.1997","","","","","","0.998","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245614","13.9774","0.0011","14.8473","0.0016","28.034","0.003","100.36","0.003","94.898","0.002","114.438","0.004","5126.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Gd Mo12 N2 O68 P9 -","- C44 H102 Gd Mo12 N2 O68 P9 -","- C88 H204 Gd2 Mo24 N4 O136 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1658","0.0942","","","0.2431","0.2849","","","","","","1.175","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245615","13.7846","0.0014","14.6894","0.0015","14.9564","0.0014","68.855","0.002","67.695","0.002","65.792","0.001","2478.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 Mo12 O64 P9 Tb -","- C40 H96 Mo12 O64 P9 Tb -","- C40 H96 Mo12 O64 P9 Tb -","1","0.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1906","0.1268","","","0.3128","0.3458","","","","","","1.452","","","","has coordinates,has disorder","278369","2022-10-05","22:19:29",""
"7245616","25.321","0.003","14.408","0.0012","24.126","0.002","90","","113.587","0.004","90","","8066.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Yb -","- C32 H77 Mo12 N O59 P7 Yb -","- C128 H308 Mo48 N4 O236 P28 Yb4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1382","0.0767","","","0.1852","0.2133","","","","","","1.067","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245617","25.388","0.003","14.4121","0.0015","24.165","0.003","90","","113.488","0.004","90","","8109.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Tm -","- C32 H77 Mo12 N O59 P7 Tm -","- C128 H308 Mo48 N4 O236 P28 Tm4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.131","0.0735","","","0.1622","0.1864","","","","","","1.051","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245618","25.403","0.012","14.473","0.007","24.145","0.011","90","","113.517","0.006","90","","8140","7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Y -","- C32 H77 Mo12 N O59 P7 Y -","- C128 H308 Mo48 N4 O236 P28 Y4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1352","0.0866","","","0.1685","0.1845","","","","","","1.068","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245619","10.0055","0.0002","13.0597","0.0003","14.2217","0.0003","101.936","0.001","104.117","0.001","101.976","0.001","1696.84","0.06","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H34 F3 N2 -","- C39 H34 F3 N2 -","- C78 H68 F6 N4 -","2","1","","Zhang, Yuyang; Chen, Fuqiang; Zheng, Jie; Song, Zhongming; Wang, Yanping; Mao, Yueyuan; Tang, Jing; Guo, Jiahao; Wang, Xuchun","Aggregate emission behaviors and reversible mechanofluorochromic properties of α-cyanostilbene functionalized indolo[3,2-b]carbazole derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01015A","","","1.54178","CuKα","","0.2793","0.2604","","","0.5727","0.5992","","","","","","2.743","","","","has coordinates","278370","2022-10-05","22:20:33",""
"7245634","23.578","0.0007","25.621","0.0008","20.728","0.0008","90","","103.378","0.0013","90","","12181.8","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H87 Cl25 Co2 N8 O16 -","- C111 H87 Cl25 Co2 N8 O16 -","- C444 H348 Cl100 Co8 N32 O64 -","4","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.1911","0.099","","","0.273","0.3232","","","","","","1.009","","","","has coordinates,has disorder","278494","2022-10-07","22:38:00",""
"7245635","13.7973","0.0008","9.4225","0.0006","14.4229","0.0008","90","","97.481","0.002","90","","1859.09","0.19","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cu F12 N2 O8 -","- C36 H22 Cu F12 N2 O8 -","- C72 H44 Cu2 F24 N4 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0833","0.0518","","","0.1246","0.1425","","","","","","1.033","","","","has coordinates,has disorder","278494","2022-10-07","22:38:00",""
"7245636","17.1498","0.0009","6.2278","0.0004","17.3103","0.0009","90","","118.787","0.002","90","","1620.35","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0764","0.0614","","","0.1515","0.1624","","","","","","1.055","","","","has coordinates","278494","2022-10-07","22:38:01",""
"7245637","13.444","0.003","11.996","0.002","19.179","0.004","90","","103.8","0.03","90","","3003.8","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cl5 N2 O4 Zn -","- C27 H21 Cl5 N2 O4 Zn -","- C108 H84 Cl20 N8 O16 Zn4 -","4","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0643","0.0511","","","0.1469","0.1553","","","","","","1.041","","","","has coordinates,has disorder","278494","2022-10-07","22:38:01",""
"7245638","15.0994","0.0015","7.2763","0.0006","26.937","0.003","90","","100.19","0.002","90","","2912.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H41 Cd2 Cl3 I4 N4 O8 -","- C53 H41 Cd2 Cl3 I4 N4 O8 -","- C106 H82 Cd4 Cl6 I8 N8 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0834","0.0499","","","0.1152","0.131","","","","","","1.022","","","","has coordinates,has disorder","278494","2022-10-07","22:38:01",""
"7245639","15.7509","0.0018","13.2011","0.0013","15.8501","0.0016","90","","105.818","0.003","90","","3170.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 S6 Se2 -","- C10 H10 S6 Se2 -","- C80 H80 S48 Se16 -","8","2","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.1344","0.059","","","0.1072","0.1322","","","","","","1.008","","","","has coordinates","278515","2022-10-10","22:38:04",""
"7245640","6.9069","0.0011","11.158","0.0015","19.166","0.003","90","","92.399","0.006","90","","1475.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br S4 Se2 -","- C10 H12 Br S4 Se2 -","- C40 H48 Br4 S16 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.0745","0.0682","","","0.1703","0.1733","","","","","","1.134","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245641","16.179","0.009","8.23","0.005","11.342","0.007","90","","96.59","0.03","90","","1500.2","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 S4 Se2 -","- C10 H12 S4 Se2 -","- C40 H48 S16 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.1271","0.0736","","","0.1559","0.1854","","","","","","1.043","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245642","5.8409","0.0004","17.6599","0.0012","16.2327","0.0009","90","","93.323","0.002","90","","1671.58","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br S6 Se2 -","- C10 H10 Br S6 Se2 -","- C40 H40 Br4 S24 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.0581","0.0355","","","0.0759","0.0854","","","","","","1.054","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7245644","15.7628","0.0004","9.9401","0.0002","14.6764","0.0003","90","","114.612","0.003","90","","2090.64","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F N3 O5.5 -","- C21 H25 F N3 O5.5 -","- C84 H100 F4 N12 O22 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0574","0.0534","","","0.1569","0.1614","","","","","","1.091","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245645","26.6114","0.0005","15.8766","0.0003","5.4278","0.0001","90","","90","","90","","2293.24","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 F N3 O5 -","- C25 H28 F N3 O5 -","- C100 H112 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0488","0.0472","","","0.1267","0.1293","","","","","","1.075","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245646","27.4657","0.0003","15.6448","0.0002","5.5604","0.0001","90","","90","","90","","2389.28","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 F N3 O5 -","- C26 H30 F N3 O5 -","- C104 H120 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0474","0.0452","","","0.1242","0.1255","","","","","","1.129","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245647","16.7798","0.0006","16.7798","0.0006","28.3067","0.0012","90","","90","","120","","6902.3","0.5","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C38 H38 Cd N6 O4 -","- C38 H38 Cd N6 O4 -","- C228 H228 Cd6 N36 O24 -","6","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0756","0.0453","","","0.0965","0.1071","","","","","","1.029","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245648","7.664","0.004","10.968","0.006","12.971","0.006","114.88","0.018","99.231","0.018","97.47","0.02","952.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cd N6 O8 -","- C38 H46 Cd N6 O8 -","- C38 H46 Cd N6 O8 -","1","0.5","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1353","0.0882","","","0.2321","0.3098","","","","","","1.156","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245649","7.0781","0.0002","10.5603","0.0002","14.5209","0.0003","77.605","0.001","84.317","0.001","70.964","0.001","1001.62","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O5 Zn -","- C22 H18 N2 O5 Zn -","- C44 H36 N4 O10 Zn2 -","2","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0435","0.0353","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates,has disorder","278531","2022-10-11","22:41:53",""
"7245650","18.2794","0.0005","29.9253","0.0008","13.2838","0.0003","90","","90","","90","","7266.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C255 H287 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","1","0.25","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1149","0.0721","","","0.1883","0.216","","","","","","1.031","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245651","9.7193","0.0011","9.8781","0.0016","11.6443","0.0016","68.313","0.014","78.335","0.011","74.819","0.012","995.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","3-carboxypyridinium hydrogen squarate hemihydrate","nicotinium hydrogen squarate hemihydrate","","- C10 H8 N O6.5 -","- C10 H8 N O6.5 -","- C40 H32 N4 O26 -","4","2","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","0.71073","MoKα","","0.0623","0.0435","","","0.0989","0.1098","","","","","","1.036","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7245652","6.5246","0.0002","11.8093","0.0006","12.8138","0.0005","82.366","0.004","77.224","0.003","78.515","0.004","939.51","0.07","134.6","0.2","134.6","0.2","","","","","","","","4","P -1","-P 1","2","4-carboxypyridinium hydrogen squarate","isonicotinium hydrogen squarate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C40 H28 N4 O24 -","4","2","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","1.54184","CuKα","","0.0476","0.0425","","","0.12","0.1261","","","","","","1.063","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245653","11.2508","0.0009","16.8024","0.0009","11.2451","0.0009","90","","115.211","0.01","90","","1923.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-carboxypyridinium hydrogen squarate","picolinium hydrogen squarate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C80 H56 N8 O48 -","8","1","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","0.71073","MoKα","","0.0835","0.0562","","","0.1051","0.1191","","","","","","1.036","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245654","8.5793","0.001","10.059","0.0011","24.193","0.003","90","","92.552","0.002","90","","2085.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[Cu(m-bix)(FDC)(H2O)]?H2O]}n","","","- C20 H20 Cu N4 O7 -","- C20 H20 Cu N4 O7 -","- C80 H80 Cu4 N16 O28 -","4","1","","Li, Yanghua; Liu, Yuqi; Dai, Siyu; Jin, Nanhao; Wang, Xinying; Chen, Han; Liu, Xiaoming; Zhao, Yue; Luo, Huilong; Li, Wei","Two multifunctional Cu(II) coordination complexes with mixed ligands as efficient catalysts for oxygen evolution reaction and photocatalytic degradation of methyl orange azo dyes","CrystEngComm","2022","","","","","10.1039/D2CE00979J","","","0.71073","MoKα","","0.0576","0.0434","","","0.1191","0.1334","","","","","","1.077","","","","has coordinates","278533","2022-10-11","22:43:47",""
"7245655","26.8482","0.0018","10.3399","0.0007","22.165","0.002","90","","125.809","0.001","90","","4990.1","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu2(DAP)4(NIP)2]?DMF]}n","","","- C47 H53 Cu2 N11 O13 -","- C47 H53 Cu2 N11 O13 -","- C188 H212 Cu8 N44 O52 -","4","0.5","","Li, Yanghua; Liu, Yuqi; Dai, Siyu; Jin, Nanhao; Wang, Xinying; Chen, Han; Liu, Xiaoming; Zhao, Yue; Luo, Huilong; Li, Wei","Two multifunctional Cu(II) coordination complexes with mixed ligands as efficient catalysts for oxygen evolution reaction and photocatalytic degradation of methyl orange azo dyes","CrystEngComm","2022","","","","","10.1039/D2CE00979J","","","0.71073","MoKα","","0.0704","0.048","","","0.1269","0.1467","","","","","","1.058","","","","has coordinates,has disorder","278533","2022-10-11","22:43:47",""
"7245667","17.6657","0.0003","11.3205","0.0002","8.8645","0.0002","90","","90","","90","","1772.76","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H27 N13 O5 Zn2 -","- C27 H27 N13 O5 Zn2 -","- C54 H54 N26 O10 Zn4 -","2","0.5","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0604","0.0586","","","0.1669","0.1713","","","","","","1.101","","","","has coordinates,has disorder","278554","2022-10-12","22:40:32",""
"7245668","18.0312","0.0005","11.2975","0.0005","8.668","0.0003","90","","90","","90","","1765.74","0.11","170","0.1","170","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N8 O3 Zn -","- C15 H18 N8 O3 Zn -","- C60 H72 N32 O12 Zn4 -","4","1","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0393","0.0381","","","0.111","0.1132","","","","","","1.121","","","","has coordinates","278554","2022-10-12","22:40:33",""
"7245680","8.1982","0.00011","9.94832","0.00012","11.70649","0.00014","90","","91.4133","0.0012","90","","954.47","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C36 H20 F8 I4 N8 -","2","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0315","0.0315","","","0.0826","0.0826","","","","","","1.149","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245681","10.8401","0.00011","7.44774","0.00007","11.95687","0.00012","90","","100.61","0.001","90","","948.826","0.017","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C36 H20 F8 I4 N8 -","2","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0248","0.0246","","","0.0657","0.0659","","","","","","1.118","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245682","24.535","0.0004","4.12409","0.00007","38.7414","0.0006","90","","107.189","0.0017","90","","3744.95","0.11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C144 H80 F32 I16 N32 -","8","1","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0332","0.0329","","","0.0896","0.0901","","","","","","1.131","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245683","9.4234","0.0003","14.1143","0.0004","13.3244","0.0004","90","","99.951","0.003","90","","1745.55","0.09","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","1SeCB","","","- C14 H11 N Se -","- C14 H11 N Se -","- C84 H66 N6 Se6 -","6","3","","Arakawa, Yuki; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","4′-Alkylseleno-4-cyanobiphenyls, nSeCB: synthesis and substituent effects on the phase-transition and liquid crystalline behaviors","CrystEngComm","2022","","","","","10.1039/D2CE00551D","","x-ray","0.71073","MoKα","","0.0229","0.0214","","","0.0465","0.0469","","","","","","1.026","","","","has coordinates","278596","2022-10-14","22:42:54",""
"7245684","12.4003","0.0003","7.1632","0.0001","18.4777","0.0004","90","","92.675","0.0001","90","","1639.51","0.06","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement","CrystEngComm","2022","","","","","10.1039/D2CE01179D","","","0.71073","MoKα","","0.0431","0.0431","","","0.0312","0.0312","","","","","","1.044","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7245685","12.4003","0.0003","7.1632","0.0001","18.4777","0.0004","90","","92.675","0.001","90","","1639.51","0.06","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement","CrystEngComm","2022","","","","","10.1039/D2CE01179D","","","0.71073","MoKα","","0.0851","0.0501","","","0.1514","0.1761","","","","","","1.08","","","","has coordinates","278615","2022-10-17","22:38:11",""
"7245688","12.8119","0.0006","17.9369","0.0011","19.3259","0.0011","90","","93.909","0.003","90","","4430.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromo-2-(4,5-diphenyl-1-phenyl-1H-imidazol-2-yl)phenol","","- C27 H19 Br N2 O -","- C27 H19 Br N2 O -","- C216 H152 Br8 N16 O8 -","8","1","","Ali, Akbar; Siddique, Abu Bakar; Ahmad, Saeed; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Vieira, Lucas Campos Curcino; Muhammad, Shabbir; Siddeeg, Saifeldin M.","Synthesis, Antimicrobial Potential and Computational Studies of Crystalline 4-Bromo-2-(1,4,5-triphenyl-1-H-imidazole-2-yl)phenol and its Metal Complexes","CrystEngComm","2022","","","","","10.1039/D2CE01118B","","","0.71073","MoKα","","0.091","0.041","","","0.0846","0.0985","","","","","","1.017","","","","has coordinates,has disorder","278642","2022-10-19","22:37:29",""
"7245689","11.0799","0.0007","20.0518","0.0014","21.6998","0.0014","90","","102.557","0.001","90","","4705.8","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cd7 N12 O34 -","- C90 H80 Cd7 N12 O34 -","- C180 H160 Cd14 N24 O68 -","2","0.5","","Wang, Jun; Xiong, Min; Wu, Jian; Kumar, Abhinav; Guo, Jian; Zhang, Wei; Lu, Lu; Singh, Amita; Muddassir, Mohd.","Construction strategies to modulate the photocatalytic efficiency of Cd(II)-MOFs to photodegrade organic dyes","CrystEngComm","2022","","","","","10.1039/D2CE01281B","","","0.71073","MoKα","","0.0865","0.0547","","","0.1364","0.1586","","","","","","1.082","","","","has coordinates","278671","2022-10-20","22:35:28",""
"7245690","12.678","0.0012","17.8838","0.0017","11.3101","0.0011","90","","101.053","0.002","90","","2516.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Wang, Jun; Xiong, Min; Wu, Jian; Kumar, Abhinav; Guo, Jian; Zhang, Wei; Lu, Lu; Singh, Amita; Muddassir, Mohd.","Construction strategies to modulate the photocatalytic efficiency of Cd(II)-MOFs to photodegrade organic dyes","CrystEngComm","2022","","","","","10.1039/D2CE01281B","","","0.71073","MoKα","","0.0411","0.0295","","","0.0768","0.0905","","","","","","1.14","","","","has coordinates","278671","2022-10-20","22:35:29",""
"7245691","9.3031","0.0012","11.7857","0.0015","14.388","0.0018","67.053","0.002","79.641","0.002","76.947","0.002","1407.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H13 Br F10 N2 Pd S2 -","- C30 H13 Br F10 N2 Pd S2 -","- C60 H26 Br2 F20 N4 Pd2 S4 -","2","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0337","0.0302","","","0.0743","0.0761","","","","","","1.06","","","","has coordinates","278672","2022-10-20","22:36:50",""
"7245692","14.509","0.004","26.431","0.008","13.922","0.004","90","","108.714","0.004","90","","5057","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H25 Br F16 N4 Pd2 S4 -","- C54 H25 Br F16 N4 Pd2 S4 -","- C216 H100 Br4 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0852","0.0526","","","0.1217","0.1377","","","","","","1.001","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245693","14.2508","0.0015","25.66","0.003","13.5876","0.0015","90","","90.514","0.002","90","","4968.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H26 F16 N4 Pd2 S4 -","- C54 H26 F16 N4 Pd2 S4 -","- C216 H104 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.077","0.0473","","","0.0931","0.1041","","","","","","1.02","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245694","21.8004","0.0015","7.7043","0.0005","27.2357","0.0019","90","","104.64","0.001","90","","4425.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 F8 N2 Pd S2 -","- C24 H10 F8 N2 Pd S2 -","- C192 H80 F64 N16 Pd8 S16 -","8","2","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0748","0.0554","","","0.105","0.112","","","","","","1.169","","","","has coordinates","278672","2022-10-20","22:36:50",""
"7245695","14.327","0.005","26.002","0.009","13.617","0.005","90","","91.256","0.005","90","","5072","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H25 Cl F16 N4 Pd2 S4 -","- C54 H25 Cl F16 N4 Pd2 S4 -","- C216 H100 Cl4 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0548","0.0368","","","0.0872","0.096","","","","","","1.01","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245696","7.539","0.003","11.02","0.005","12.373","0.006","101.973","0.016","101.819","0.016","109.72","0.015","903.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N6 S2 Zn -","- C12 H10 I2 N6 S2 Zn -","- C24 H20 I4 N12 S4 Zn2 -","2","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0514","0.0314","","","0.0553","0.0609","","","","","","1.003","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245697","5.971","0.0005","7.5328","0.0007","11.7015","0.001","79.032","0.003","78.762","0.003","77.37","0.003","497.7","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 Br2 N3 S Zn -","- C6 H5 Br2 N3 S Zn -","- C12 H10 Br4 N6 S2 Zn2 -","2","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.026","0.0214","","","0.0494","0.0508","","","","","","1.037","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245698","14.5768","0.0005","10.8025","0.0004","7.0493","0.0002","90","","95.84","0.001","90","","1104.26","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C24 H20 I8 N12 S4 Zn4 -","4","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0366","0.0337","","","0.0782","0.0793","","","","","","1.08","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245699","27.4418","0.0012","4.7724","0.0002","12.8595","0.0005","90","","102.417","0.002","90","","1644.73","0.12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N6 S2 Zn -","- C12 H10 Br2 N6 S2 Zn -","- C48 H40 Br8 N24 S8 Zn4 -","4","0.5","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0325","0.0245","","","0.0577","0.0607","","","","","","1.038","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245700","14.5782","0.0006","32.4028","0.0012","7.0488","0.0003","90","","95.846","0.002","90","","3312.4","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C72 H60 I24 N36 S12 Zn12 -","12","3","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0646","0.0566","","","0.1464","0.1527","","","","","","1.049","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245701","14.789","0.0004","9.6838","0.0003","28.169","0.0007","90","","90","","90","","4034.19","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H43 N3 O18 U -","- C38 H43 N3 O18 U -","- C152 H172 N12 O72 U4 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0215","0.0187","","","0.0424","0.0437","","","","","","1.045","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245702","9.2147","0.0004","14.8422","0.0005","17.7684","0.0005","96.2142","0.0011","90.5305","0.0015","91.3134","0.0017","2415.04","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H96 N6 O34 S2 U2 -","- C86 H96 N6 O34 S2 U2 -","- C86 H96 N6 O34 S2 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0225","0.0209","","","0.0521","0.0528","","","","","","1.067","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245703","13.2023","0.0007","31.6383","0.0017","15.1219","0.0008","90","","97.7928","0.0016","90","","6258.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H108 N6 O60 S6 U6 -","- C108 H96 N6 O60 S6 U6 -","- C216 H192 N12 O120 S12 U12 -","2","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0707","0.0643","","","0.1598","0.1634","","","","","","1.175","","","","has coordinates,has disorder","278717","2022-10-21","22:11:44",""
"7245704","9.6207","0.0007","11.1875","0.0006","19.8035","0.0017","90","","92.098","0.003","90","","2130.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 N2 O19.5 S2 U2 -","- C38 H35 N2 O19.5 S2 U2 -","- C76 H70 N4 O39 S4 U4 -","2","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0209","0.0173","","","0.0362","0.0376","","","","","","1.053","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245705","17.7606","0.0004","12.5624","0.0003","16.849","0.0004","90","","115.386","0.0009","90","","3396.28","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl0.2 N2.8 O19.4 U3 -","- C24 H33 Cl0.2 N2.8 O19.4 U3 -","- C96 H132 Cl0.8 N11.2 O77.6 U12 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0232","0.0194","","","0.0442","0.0458","","","","","","1.076","","","","has coordinates,has disorder","278717","2022-10-21","22:11:44",""
"7245706","39.0954","0.0015","12.9175","0.0006","20.067","0.0006","90","","93.649","0.003","90","","10113.6","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 N2 -","- C30 H32 N2 -","- C480 H512 N32 -","16","2","","Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang","Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study.","CrystEngComm","2022","","","","","10.1039/D2CE01174C","","","1.54184","CuKα","","0.0913","0.0683","","","0.1993","0.2334","","","","","","1.046","","","","has coordinates","278718","2022-10-21","22:12:38",""
"7245707","6.356","0.004","9.042","0.006","11.117","0.007","76.992","0.008","86.676","0.007","79.275","0.008","611.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 N -","- C15 H16 N -","- C30 H32 N2 -","2","1","","Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang","Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study.","CrystEngComm","2022","","","","","10.1039/D2CE01174C","","","0.71073","MoKα","","0.106","0.0464","","","0.1249","0.1497","","","","","","1.099","","","","has coordinates","278718","2022-10-21","22:12:39",""
"7245708","11.9497","0.0005","11.9497","0.0005","11.9497","0.0005","90","","90","","90","","1706.36","0.12","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu2.22 Ga11 Sn35 -","- Eu2.216 Ga10.996 Sn35.004 -","- Eu2.216 Ga10.996 Sn35.004 -","1","0.0208333","","Gunatilleke, Wilarachchige D. C. B.; Wong-Ng, Winnie; Zavalij, Peter Y.; Zhang, Mingjian; Chen, Yu-Sheng; Nolas, George S.","Revealing uncommon transport in the previously unascertained very low cation clathrate-I Eu2Ga11Sn35","CrystEngComm","2023","25","1","48","52","10.1039/D2CE01026G","","","0.41328","SynchrotronX-ray","","0.0095","0.0095","","","0.0215","0.0216","","","","","","1.224","","","","has coordinates","281407","2023-03-04","18:08:30",""
"7245709","20.7129","0.0008","20.7129","0.0008","77.627","0.003","90","","90","","120","","28842","1.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O43 S6 Zn7 -","- C90 H48 O42.9999 S6 Zn7 -","- C540 H288 O257.999 S36 Zn42 -","6","0.166667","","Du, Yanfang; Wang, Xi-Xi; Cheng, Ai-Ling; Wang, Yuanyuan; Gao, En-Qing","A new multifunctional anionic 3D Zn(II)-MOF based on heptanuclear clusters: selective adsorption of organic dyes and dual-emitting sensor for nitroantibiotics","CrystEngComm","2022","","","","","10.1039/D2CE01218A","","","1.54184","CuKα","","0.1155","0.0934","","","0.2898","0.313","","","","","","1.064","","","","has coordinates","278755","2022-10-24","22:49:47",""
"7245710","11.2631","0.0002","12.6103","0.0003","13.5574","0.0003","89.5485","0.0016","75.1425","0.0017","88.066","0.0016","1860.13","0.07","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Br Cu N4 P2 -","- C43 H36 Br Cu N4 P2 -","- C86 H72 Br2 Cu2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0424","0.0411","","","0.1094","0.1108","","","","","","1.058","","","","has coordinates","278783","2022-10-25","22:44:56",""
"7245711","11.1563","0.0006","12.5587","0.0005","13.446","0.0008","88.946","0.004","75.334","0.005","87.123","0.004","1820.19","0.17","114.95","0.1","114.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 P2 -","- C43 H36 Cl Cu N4 P2 -","- C86 H72 Cl2 Cu2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","0.71073","MoKα","","0.058","0.0436","","","0.0895","0.0987","","","","","","1.043","","","","has coordinates","278783","2022-10-25","22:44:56",""
"7245712","11.4117","0.0002","12.5516","0.0002","13.6513","0.0002","90.828","0.001","105.286","0.001","90.71","0.001","1885.71","0.05","106","9","106","9","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0423","0.0417","","","0.1073","0.1078","","","","","","1.052","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245713","9.00616","0.00016","11.8692","0.0002","20.3177","0.0003","93.1111","0.0014","95.7313","0.0013","107.25","0.0017","2055.76","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 Cu I N6 P2 -","- C45 H36 Cu I N6 P2 -","- C90 H72 Cu2 I2 N12 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0367","0.0343","","","0.0937","0.0956","","","","","","1.091","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245714","11.25791","0.00012","12.89731","0.00014","14.11533","0.00015","84.5814","0.0009","72.0161","0.001","86.2523","0.0009","1939.24","0.04","132.99","0.1","132.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cu N5 P2 S -","- C44 H36 Cu N5 P2 S -","- C88 H72 Cu2 N10 P4 S2 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0375","0.0347","","","0.0958","0.0974","","","","","","1.073","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245715","9.85352","0.00009","12.5923","0.00011","18.04231","0.00013","92.8536","0.0006","97.8598","0.0007","112.288","0.0009","2039.29","0.03","297.3","0.1","297.3","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cu N7 P2 S -","- C46 H36 Cu N7 P2 S -","- C92 H72 Cu2 N14 P4 S2 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.046","0.0437","","","0.1196","0.1216","","","","","","1.029","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245716","12.9413","0.0001","16.4751","0.0001","21.8307","0.0002","90","","100.304","0.001","90","","4579.44","0.06","286","6","286","6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Br Cu N6 O3 P2 -","- C48 H48 Br Cu N6 O3 P2 -","- C192 H192 Br4 Cu4 N24 O12 P8 -","4","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.061","0.0554","","","0.1498","0.1551","","","","","","1.028","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245717","12.8638","0.0013","16.3836","0.0019","21.892","0.002","90","","100.136","0.004","90","","4541.8","0.8","298","2","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl Cu N6 O3 P2 -","- C48 H48 Cl Cu N6 O3 P2 -","- C192 H192 Cl4 Cu4 N24 O12 P8 -","4","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","","0.71073","MoKα","","0.0969","0.0465","","","0.107","0.1258","","","","","","0.958","","","","has coordinates,has disorder","278784","2022-10-25","22:46:03",""
"7245721","4.807","0.0004","15.1947","0.0009","7.8938","0.0006","90","","90","","90","","576.57","0.07","100.8","0.4","100.8","0.4","","","","","","","","4","A m m 2","A 2 -2","38","[Eu(ox)0.5(CO3)(H2O)]","Europium(III) Carbonate Hemioxalate Hydrate","","- C2 H2 Eu O6 -","- C2 H2 Eu O6 -","- C8 H8 Eu4 O24 -","4","0.5","","Takano, Rina; Ishida, Takayuki; Ay, Burak","Synthesis, crystal structure, and luminescence properties of a three-dimensional coordination polymer from europium(iii) carbonate hemioxalate hydrate","CrystEngComm","2022","","","","","10.1039/D2CE01105K","","x-ray","0.71073","MoKα","","0.0224","0.0213","","","0.0519","0.0527","","","","","","1.0629","","","","has coordinates","278821","2022-10-26","22:54:53",""
"7245722","11.0002","0.0006","9.8052","0.0007","34.289","0.002","90","","90","","90","","3698.4","0.4","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Terpy_naph","","- C25 H17 N3 -","- C25 H17 N3 -","- C200 H136 N24 -","8","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.1125","0.0638","","","0.1603","0.1974","","","","","","1.056","","","","has coordinates","278822","2022-10-26","22:55:27",""
"7245723","12.7668","0.0017","14.431","0.0016","11.6963","0.0018","90","","104.463","0.012","90","","2086.6","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C116 H76 N12 -","4","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.2329","0.0841","","","0.1953","0.2924","","","","","","0.957","","","","has coordinates","278822","2022-10-26","22:55:28",""
"7245724","8.557","0.0006","29.967","0.002","11.5654","0.0009","90","","111.625","0.002","90","","2757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N8 O3 -","- C29 H36 N8 O3 -","- C116 H144 N32 O12 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.1928","0.0733","","","0.1584","0.2015","","","","","","1.016","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245725","7.5763","0.0006","25.947","0.002","12.1602","0.001","90","","100.659","0.004","90","","2349.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N8 O2 -","- C23 H32 N8 O2 -","- C92 H128 N32 O8 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.1211","0.0734","","","0.1889","0.2192","","","","","","1.065","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245726","11.9881","0.0008","8.0148","0.0005","32.4063","0.0019","90","","93.301","0.002","90","","3108.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 N8 O6 -","- C31 H40 N8 O6 -","- C124 H160 N32 O24 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.0993","0.0667","","","0.171","0.1922","","","","","","0.991","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245728","5.1177","0.0003","9.8637","0.0007","12.9604","0.0009","89.108","0.006","85.44","0.006","75.799","0.006","632.23","0.07","273","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H13 Cd1.5 N2 O10 P2 -","- C5 H13 Cd1.5 N2 O10 P2 -","- C10 H26 Cd3 N4 O20 P4 -","2","1","","Wang, Yi-xin; Zhou, Jing-hui; Xiong, Jun; Huang, Wan-qi; Li, Quan; Min, Xue; Li, Ming","Metal phosphonates as heterogeneous catalysts for highly efficient chemical fixation of CO2 under mild conditions","CrystEngComm","2022","","","","","10.1039/D2CE01162J","","x-ray","0.71073","MoKα","","0.03","0.0274","","","0.0669","0.0688","","","","","","1.045","","","","has coordinates","278837","2022-10-27","22:31:28",""
"7245729","6.9845","0.0008","9.7165","0.0011","9.7438","0.001","78.978","0.002","88.949","0.002","79.339","0.002","637.76","0.12","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Co1.5 N2 O12 P3 -","- C5 H9 Co1.5 N2 O12 P3 -","- C10 H18 Co3 N4 O24 P6 -","2","1","","Wang, Yi-xin; Zhou, Jing-hui; Xiong, Jun; Huang, Wan-qi; Li, Quan; Min, Xue; Li, Ming","Metal phosphonates as heterogeneous catalysts for highly efficient chemical fixation of CO2 under mild conditions","CrystEngComm","2022","","","","","10.1039/D2CE01162J","","","0.71073","MoKα","","0.0746","0.0679","","","0.2081","0.2168","","","","","","1.108","","","","has coordinates,has disorder","278837","2022-10-27","22:31:29",""
"7245740","19.4896","0.0006","9.8579","0.0003","23.1307","0.0007","90","","90.091","0.003","90","","4444","0.2","233","2","233","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C112 H224 Eu4 K4 N48 O96 -","4","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.035","0.0293","","","0.0717","0.0743","","","","","","1.106","","","","has coordinates","278884","2022-11-01","08:47:32",""
"7245741","9.7896","0.0005","9.8968","0.0005","12.608","0.0011","67.444","0.006","89.728","0.005","89.703","0.004","1128.07","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","1","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0268","0.0268","","","0.066","0.066","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7245742","23.6915","0.0011","9.7624","0.0003","9.9066","0.0004","90","","90","","90","","2291.26","0.16","313","2","313","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C28 H56 Eu K N12 O24 -","- C26 Eu K N14 O24 -","- C52 Eu2 K2 N28 O48 -","2","0.25","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0654","0.0549","","","0.1426","0.1523","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7245743","11.0146","0.0006","13.1035","0.0006","6.7957","0.0004","90","","103.571","0.006","90","","953.44","0.09","295.1","0.1","295.1","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C25 H14 N4 -","- C25 H14 N4 -","- C50 H28 N8 -","2","0.25","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0493","0.0412","","","0.1185","0.1274","","","","","","1.075","","","","has coordinates,has disorder","278885","2022-11-01","08:48:22",""
"7245744","6.7631","0.0011","8.0049","0.0016","9.0066","0.0011","99.642","0.013","97.616","0.011","100.727","0.015","465.52","0.14","293.39","0.1","293.39","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N4 O -","- C24 H12 N4 O -","- C24 H12 N4 O -","1","0.5","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0665","0.0543","","","0.1622","0.1672","","","","","","1.2","","","","has coordinates,has disorder","278885","2022-11-01","08:48:22",""
"7245745","6.8406","0.0001","8.914","0.0002","16.3304","0.0003","100.164","0.002","98.574","0.002","98.373","0.002","953.96","0.03","295.07","0.17","295.07","0.17","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N4 S -","- C24 H12 N4 S -","- C48 H24 N8 S2 -","2","1","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0796","0.0714","","","0.2023","0.2094","","","","","","1.063","","","","has coordinates","278885","2022-11-01","08:48:22",""
"7245749","16.5095","0.0007","16.5095","0.0007","24.5306","0.0018","90","","90","","120","","5790.4","0.5","173","","173","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C60 H28 O33 Zn6 -","- C60 H27.9997 O32.9999 Zn6 -","- C120 H55.9994 O65.9998 Zn12 -","2","0.333333","","Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng","A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01399A","","","0.71073","MoKα","","0.1441","0.0983","","","0.2551","0.2831","","","","","","0.901","","","","has coordinates,has disorder","278905","2022-11-01","23:32:55",""
"7245750","9.7289","0.0002","13.9219","0.0002","8.9307","0.0002","90","","113.773","0.001","90","","1106.98","0.04","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl3 N2 O Pb S -","- C3 H11 Cl3 N2 O Pb S -","- C12 H44 Cl12 N8 O4 Pb4 S4 -","4","1","","Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki","Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems","CrystEngComm","2022","","","","","10.1039/D2CE00889K","","","0.71073","MoKα","","0.0118","0.0111","","","0.0264","0.0267","","","","","","1.106","","","","has coordinates","278935","2022-11-03","23:36:45",""
"7245751","9.8864","0.0004","14.1043","0.0004","9.0106","0.0003","90","","113.211","0.005","90","","1154.75","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl3 N2 O Pb S -","- C3 H11 Cl3 N2 O Pb S -","- C12 H44 Cl12 N8 O4 Pb4 S4 -","4","1","","Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki","Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems","CrystEngComm","2022","","","","","10.1039/D2CE00889K","","x-ray","0.71073","MoKα","","0.0382","0.0256","","","0.0402","0.0422","","","","","","1.05","","","","has coordinates","278935","2022-11-03","23:36:54",""
"7245752","9.589","0.002","12.661","0.003","11.779","0.003","90","","90","","90","","1430","0.6","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Fmoc-b-cyclopropyl-(S)-Ala-OH","(2S)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","0.71073","MoKα","","0.0586","0.0533","","","0.1336","0.1381","","","","","","1.013","","","","has coordinates","278944","2022-11-04","23:34:25",""
"7245753","7.49868","0.00019","8.0934","0.0002","9.4854","0.0002","83.844","0.002","73.807","0.002","69.194","0.003","516.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(cyclopropylmethyl)-2-acetamidopropanedioic acid","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C18 H26 N2 O10 -","2","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0286","0.0282","","","0.0716","0.0719","","","","","","1.056","","","","has coordinates","278944","2022-11-04","23:34:26",""
"7245754","24.533","0.0002","5.04577","0.00004","30.1674","0.0003","90","","109.516","0.001","90","","3519.82","0.06","100","0.1","100.15","","","","","","","","","4","I 1 2 1","I 2y","5","","diethyl 2-acetamido-2-(cyclopropylmethyl)malonate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C168 H168 N8 O32 -","8","2","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0267","0.0254","","","0.0648","0.0655","","","","","","1.037","","","","has coordinates","278944","2022-11-04","23:34:26",""
"7245755","13.7292","0.0001","10.9084","0.0001","14.8292","0.0001","90","","90","","90","","2220.87","0.03","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[Ac-b-cyclopropyl-(R,S)-Ala-OH], 2-(cyclopropylmethyl)-2-acetamidopropanedioic acid hydrate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C72 H120 N8 O48 -","8","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0306","0.0294","","","0.0781","0.0789","","","","","","1.055","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245756","14.6622","0.0001","11.4293","0.0001","21.6168","0.0001","90","","90.601","0.001","90","","3622.32","0.04","100","0.5","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-acetamido-3-cyclopropylpropanoic acid","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C128 H208 N16 O48 -","16","4","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0367","0.0353","","","0.0921","0.0931","","","","","","1.048","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245757","11.5142","0.0012","7.0317","0.0006","17.2789","0.0016","90","","92.127","0.008","90","","1398","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- B7 Cs Ga H4 K Na O15.5 -","- B7 Cs Ga H4 K Na O15.5 -","- B28 Cs4 Ga4 H16 K4 Na4 O62 -","4","1","","Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu","Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra","CrystEngComm","2022","","","","","10.1039/D2CE01336C","","","0.71073","MoKα","","0.0536","0.0474","","","0.1336","0.1382","","","","","","1.076","","","","has coordinates,has disorder","278945","2022-11-04","23:35:21",""
"7245758","7.0328","0.0005","10.1025","0.0008","10.5133","0.0009","102.48","0.007","102.285","0.006","99.917","0.006","693.72","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Al B7 H3 K2.5 Na0.5 O15 -","- Al B7 H3 K2.5 Na0.5 O15 -","- Al2 B14 H6 K5 Na O30 -","2","1","","Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu","Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra","CrystEngComm","2022","","","","","10.1039/D2CE01336C","","","0.71073","MoKα","","0.0516","0.0461","","","0.1387","0.1425","","","","","","1.099","","","","has coordinates","278945","2022-11-04","23:35:21",""
"7245759","10.643","0.0009","20.641","0.0017","21.2421","0.0019","78.757","0.004","82.776","0.006","79.647","0.006","4482.5","0.7","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H51 Cl3 F36 Gd2 N10 O16 -","- C73 H51 Cl3 F36 Gd2 N10 O16 -","- C146 H102 Cl6 F72 Gd4 N20 O32 -","2","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.0972","0.0799","","","0.2352","0.2455","","","","","","1.066","","","","has coordinates","278954","2022-11-05","23:32:41",""
"7245760","10.656","0.002","20.604","0.004","21.217","0.004","78.76","0.03","82.87","0.03","79.65","0.03","4475.4","1.6","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H51 Cl3 F36 N10 O16 Tb2 -","- C73 H51 Cl3 F36 N10 O16 Tb2 -","- C146 H102 Cl6 F72 N20 O32 Tb4 -","2","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.0852","0.0599","","","0.1508","0.1785","","","","","","1.024","","","","has coordinates","278954","2022-11-05","23:32:47",""
"7245761","17.054","0.002","20.134","0.002","17.469","0.002","90","","104.342","0.002","90","","5811.3","1.1","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cu F30 N5 O12 Tb -","- C46 H27 Cu F30 N5 O12 Tb -","- C184 H108 Cu4 F120 N20 O48 Tb4 -","4","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.1208","0.0625","","","0.1131","0.1383","","","","","","1.076","","","","has coordinates","278954","2022-11-05","23:32:47",""
"7245765","15.7981","0.0013","16.2656","0.0014","22.388","0.002","90","","90","","90","","5752.9","0.9","296","2","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H29.5 Cd N3.5 O11 -","- C28 H29.5 Cd N3.5 O11 -","- C224 H236 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.1462","0.0867","","","0.2523","0.2929","","","","","","1.066","","","","has coordinates","279041","2022-11-07","23:34:27",""
"7245766","15.6608","0.0014","16.669","0.0015","22.238","0.002","90","","90","","90","","5805.2","0.9","296.15","","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H22 Cd N3.5 O11 -","- C26 H22 Cd N3.5 O11 -","- C208 H176 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.0922","0.0678","","","0.2119","0.2448","","","","","","1.066","","","","has coordinates,has disorder","279041","2022-11-07","23:34:27",""
"7245767","9.4569","0.0011","9.3238","0.0011","13.6224","0.0016","90","","106.127","0.008","90","","1153.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 O3 -","- C12 H8 N6 O3 -","- C48 H32 N24 O12 -","4","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","","0.71073","MoKα","","0.0814","0.0394","","","0.0791","0.0954","","","","","","1.021","","","","has coordinates","279042","2022-11-07","23:35:52",""
"7245768","13.5498","0.0002","14.6671","0.0002","17.4729","0.0003","75.573","0.001","81.545","0.001","73.268","0.002","3209.98","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Dy N21 O14 -","- C54 H70 Dy N21 O11 -","- C108 H140 Dy2 N42 O22 -","2","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0514","0.0476","","","0.1184","0.1201","","","","","","1.067","","","","has coordinates","279042","2022-11-07","23:35:53",""
"7245769","22.56781","0.00018","12.14163","0.0001","23.5494","0.0002","90","","101.893","0.0009","90","","6314.26","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Dy2 N21 O16 -","- C39 H25 Dy2 N19 O11 -","- C156 H100 Dy8 N76 O44 -","4","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0552","0.0502","","","0.1259","0.1286","","","","","","1.046","","","","has coordinates","279042","2022-11-07","23:35:53",""
"7245770","14.5277","0.0002","19.59","0.0003","24.9631","0.0004","85.482","0.001","76.15","0.001","75.698","0.001","6682.64","0.18","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C115 H165 Dy4 N45 O29 -","- C115 H163 Dy4 N45 O28 -","- C230 H326 Dy8 N90 O56 -","2","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0877","0.0707","","","0.1549","0.1635","","","","","","1.042","","","","has coordinates,has disorder","279042","2022-11-07","23:35:53",""
"7245771","6.4345","0.0005","9.3017","0.0007","11.9277","0.0009","76.64","0.002","84.469","0.003","81.237","0.002","685.08","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N13 O3 -","- C7 H13 N13 O3 -","- C14 H26 N26 O6 -","2","1","","Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole","CrystEngComm","2022","","","","","10.1039/D2CE01405J","","","0.71073","MoKα","","0.0546","0.0387","","","0.0953","0.1036","","","","","","1.041","","","","has coordinates","279043","2022-11-07","23:37:42",""
"7245772","7.3452","0.0003","7.7532","0.0004","13.116","0.0006","81.172","0.002","87.255","0.002","80.148","0.002","727.03","0.06","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 N12 O4 S -","- C7 H12 N12 O4 S -","- C14 H24 N24 O8 S2 -","2","1","","Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole","CrystEngComm","2022","","","","","10.1039/D2CE01405J","","","0.71073","MoKα","","0.0487","0.0361","","","0.0819","0.091","","","","","","1.048","","","","has coordinates","279043","2022-11-07","23:37:42",""
"7245773","26.47","0.003","7.695","0.0007","5.4985","0.0005","90","","90","","90","","1119.97","0.19","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ca2 Nb2 O7 -","- Ca2 Nb2 O7 -","- Ca16 Nb16 O56 -","8","2","","Xie, Linfang; Hou, Shuai; Yu, Fapeng; Zhao, Xian","Single crystal growth and piezoelectric features of the Ca2Nb2O7 crystal with orthorhombic symmetry","CrystEngComm","2022","","","","","10.1039/D2CE01286C","","","0.71069","MoKα","","0.0268","0.0208","","","0.0489","0.0525","","","","","","1.023","","","","has coordinates","279122","2022-11-08","23:37:05",""
"7245774","10.775","0.002","6.069","0.0012","24.422","0.005","90","","91.36","0.03","90","","1596.6","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol","2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0589","0.0554","","","0.1562","0.161","","","","","","1.058","","","","has coordinates","279162","2022-11-09","23:38:28",""
"7245775","9.975","0.002","22.42","0.005","7.849","0.0016","90","","91.42","0.03","90","","1754.8","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0643","0.0499","","","0.1265","0.1348","","","","","","1.065","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245776","8.142","0.0016","10.456","0.002","11.064","0.002","77.3","0.03","86.19","0.03","71.59","0.03","871.8","0.3","220","2","220","2","","","","","","","","4","P -1","-P 1","2","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0632","0.0486","","","0.1405","0.1472","","","","","","1.087","","","","has coordinates","279162","2022-11-09","23:38:29",""
"7245777","14.801","0.003","13.758","0.003","9.129","0.0018","90","","107.9","0.03","90","","1769","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.65","synchrotron","","0.0816","0.0596","","","0.1877","0.1997","","","","","","1.109","","","","has coordinates","279162","2022-11-09","23:38:29",""
"7245778","20.599","0.004","7.298","0.0015","24.505","0.005","90","","104.72","0.03","90","","3563","1.3","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0584","0.0534","","","0.1591","0.1633","","","","","","1.051","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245779","12.462","0.003","8.131","0.0016","21.551","0.004","90","","104.18","0.03","90","","2117.2","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol","5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0824","0.0733","","","0.246","0.2547","","","","","","1.116","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245780","13.9435","0.0008","20.0147","0.0012","17.2063","0.0011","90","","93.972","0.002","90","","4790.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 Cu6 Mn0 Mo18 N12 O67 Si -","- C60 Cu6 Mo18 N12 O67 Si -","- C120 Cu12 Mo36 N24 O134 Si2 -","2","0.5","","Wang, Peisen; Chishti, Aadil Nabi; Chen, Peng; Lv, Zengxiang; Tan, Yaya; Zhang, Hanzhi; Zha, Junjie; Ma, Zhiyuan; Ni, Lubin; Zhang, Lu-nan; Wei, Yongge","A Keggin-type polyoxomolybdate-based crystalline material formed by hydrothermal transformation: photo/electro-catalytic properties and mechanism study","CrystEngComm","2022","","","","","10.1039/D2CE01301K","","","0.71073","MoKα","","0.0766","0.0674","","","0.1617","0.1665","","","","","","1.156","","","","has coordinates,has disorder","279163","2022-11-09","23:39:10",""
"7245781","16.8316","0.0004","14.7115","0.0004","20.1791","0.0006","90","","93.4","0.001","90","","4987.9","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Fe H30 N15 O15 -","- Fe H30 N15 O15 -","- Fe8 H240 N120 O120 -","8","2","","Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng","Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)","CrystEngComm","2022","","","","","10.1039/D2CE01270G","","","0.71073","MoKα","","0.07","0.042","","","0.1167","0.1375","","","","","","1.019","","","","has coordinates","279164","2022-11-09","23:39:52",""
"7245782","16.7321","0.0008","14.5671","0.0006","20.0005","0.0007","90","","92.771","0.002","90","","4869.2","0.4","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al H30 N15 O15 -","- Al H30 N15 O15 -","- Al8 H240 N120 O120 -","8","2","","Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng","Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)","CrystEngComm","2022","","","","","10.1039/D2CE01270G","","","0.71073","MoKα","","0.0904","0.0599","","","0.1426","0.1611","","","","","","1.08","","","","has coordinates","279164","2022-11-09","23:39:52",""
"7245783","7.67","0.0008","9.0452","0.001","11.0423","0.001","108.104","0.009","96.967","0.009","110.004","0.01","661.63","0.14","121","0.4","121","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Cl4 Mn N12 -","- C20 H30 Cl4 Mn N12 -","- C20 H30 Cl4 Mn N12 -","1","0.5","","Jabeur, Wiem; Msalmi, Rawia; Korb, Marcus; Hassen, Fredj; Guesmi, Ahlem; Houas, Ammar; Ben Hamadi , Naoufel; Naïli, Houcine","Excitation dependent white and red-NIR emission of MnII-based complex","CrystEngComm","2022","","","","","10.1039/D2CE01138G","","","0.71073","MoKα","","0.0453","0.04","","","0.0996","0.1049","","","","","","1.066","","","","has coordinates","279165","2022-11-09","23:40:14",""
"7245784","10.7786","0.0006","12.6891","0.0007","14.2722","0.0008","77.497","0.001","86.221","0.001","67.301","0.001","1757.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5 -","- C3.875 H3 Ag0.625 N0.125 O1.625 P0.5 -","- C62 H48 Ag10 N2 O26 P8 -","16","8","","Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei","Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition","CrystEngComm","2023","25","1","108","113","10.1039/D2CE01240E","","","0.71073","MoKα","","0.0307","0.0268","","","0.0702","0.0748","","","","","","0.955","","","","has coordinates","281403","2023-03-04","18:07:22",""
"7245785","7.5403","0.0012","8.1374","0.0015","9.21","0.0011","92.107","0.012","94.692","0.012","112.19","0.016","520.1","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H13 N3 O5 S -","- C6 H13 N3 O5 S -","- C12 H26 N6 O10 S2 -","2","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0897","0.0789","","","0.2557","0.2675","","","","","","1.189","","","","has coordinates","279218","2022-11-10","23:42:41",""
"7245786","7.6827","0.0002","16.9136","0.0006","21.7131","0.0006","90","","90","","90","","2821.45","0.15","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N6 O8 S2 -","- C22 H38 N6 O8 S2 -","- C88 H152 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0448","0.0406","","","0.0995","0.1022","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245787","8.32784","0.00012","14.8045","0.0002","21.3026","0.0003","90","","90","","90","","2626.39","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O7 S2 -","- C22 H32 N6 O7 S2 -","- C88 H128 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0432","0.0424","","","0.113","0.114","","","","","","1.034","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245788","14.2509","0.0003","12.4242","0.0003","18.4753","0.0005","90","","90","","90","","3271.16","0.14","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O6 S -","- C14 H17 N3 O6 S -","- C112 H136 N24 O48 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0663","0.0574","","","0.1448","0.1535","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245789","8.0559","0.0003","21.6299","0.0006","7.2362","0.0002","90","","90","","90","","1260.9","0.07","150","0.1","150","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","1","0.25","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54178","CuKα","","0.0779","0.0718","","","0.2083","0.2208","","","","","","1.137","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245790","13.0691","0.0009","12.2502","0.0009","19.5115","0.0018","90","","90","","90","","3123.8","0.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 N7 O6 S2 -","- C24 H37 N7 O6 S2 -","- C96 H148 N28 O24 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0853","0.0577","","","0.1445","0.1674","","","","","","1.056","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245791","13.0361","0.0003","12.2207","0.0002","19.6245","0.0004","90","","90","","90","","3126.38","0.11","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N6 O8 S2 -","- C24 H33 N6 O8 S2 -","- C96 H132 N24 O32 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0869","0.0793","","","0.2495","0.2628","","","","","","1.108","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245792","13.9018","0.0007","12.5517","0.0006","18.8575","0.0008","90","","90","","90","","3290.5","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O3 S -","- C14 H20 N4 O3 S -","- C112 H160 N32 O24 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0371","0.0324","","","0.0823","0.0851","","","","","","1.058","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245793","9.5807","0.0002","15.5281","0.0003","21.0679","0.0004","90","","90","","90","","3134.27","0.11","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N6 O8 S2 -","- C24 H40 N6 O8 S2 -","- C96 H160 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.042","0.0364","","","0.0905","0.0944","","","","","","1.033","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245807","12.878","0.003","20.372","0.005","12.609","0.005","90","","106.828","0.006","90","","3166.3","1.7","296","2","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H76 N26 O34 P2 -","- C44 H75 N26 O34 P2 -","- C88 H150 N52 O68 P4 -","2","0.25","","Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin","Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine","CrystEngComm","2022","","","","","10.1039/D2CE01308H","","","0.71073","MoKα","","0.0556","0.0394","","","0.1031","0.1126","","","","","","1.042","","","","has coordinates,has disorder","279238","2022-11-11","23:46:12",""
"7245808","13.001","0.004","14.691","0.004","21.03","0.006","72.765","0.007","76.725","0.007","68.8","0.007","3542.7","1.8","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H92 Ca Cl3 N25 O35 -","- C42 H60 Ca Cl3 N25 O19 -","- C84 H120 Ca2 Cl6 N50 O38 -","2","1","","Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin","Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine","CrystEngComm","2022","","","","","10.1039/D2CE01308H","","","0.71073","MoKα","","0.0983","0.0698","","","0.1809","0.1972","","","","","","1.04","","","","has coordinates","279238","2022-11-11","23:46:12",""
"7245809","24.6321","0.0002","12.5688","0.0001","18.427","0.0001","90","","104.232","0.001","90","","5529.83","0.07","300.69","0.1","300.69","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N4 O15 Tb Zn -","- C25 H23 N4 O15 Tb Zn -","- C200 H184 N32 O120 Tb8 Zn8 -","8","1","","Wu, Nan; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming","Heterometallic organic framework: A highly selective functional probe for carmine and TNP molecules","CrystEngComm","2022","","","","","10.1039/D2CE01417C","","x-ray","1.54184","CuKα","","0.0238","0.0222","","","0.0593","0.0604","","","","","","1.04","","","","has coordinates","279270","2022-11-14","23:44:52",""
"7245810","4.0263","0.0003","4.0263","0.0003","15.066","0.002","90","","90","","120","","211.51","0.04","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Ni2 Si -","- La Ni2 Si -","- La3 Ni6 Si3 -","3","0.0833333","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.7107","MoKα","","0.014","0.0113","","","0.0334","0.0335","","","","","","1.238","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245811","6.8789","0.0007","6.2167","0.0003","12.214","0.001","90","","90.92","0.01","90","","522.25","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La2 Ni3 Si2 -","- La2 Ni3 Si2 -","- La8 Ni12 Si8 -","4","1","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.7107","MoKα","","0.0572","0.0318","","","0.0597","0.0637","","","","","","0.92","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245812","7.501","0.002","14.316","0.004","6.1485","0.0016","90","","90","","90","","660.3","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La3 Ni3 Si2 -","- La3 Ni3 Si2 -","- La12 Ni12 Si8 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0216","0.0214","","","0.0546","0.0547","","","","","","1.249","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245813","6.0659","0.001","7.4882","0.0012","29.682","0.005","90","","90","","90","","1348.2","0.4","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- La6 Ni7 Si4 -","- La6 Ni7 Si4 -","- La24 Ni28 Si16 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0468","0.0287","","","0.049","0.0532","","","","","","0.923","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245814","9.8826","0.0009","11.1554","0.001","13.9347","0.0012","109.747","0.003","95.52","0.002","96.847","0.002","1420.2","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0307","0.0306","","","0.0818","0.0819","","","","","","1.044","","","","has coordinates,has disorder","279272","2022-11-14","23:49:42",""
"7245815","10.3817","0.0007","10.4095","0.0007","13.8631","0.001","81.397","0.004","70.936","0.004","89.265","0.004","1399.02","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Eu N3 O11 -","- C24 H34 Eu N3 O11 -","- C48 H68 Eu2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0516","0.0467","","","0.1251","0.1289","","","","","","1.09","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245816","9.9056","0.001","11.1381","0.0011","13.9162","0.0014","109.803","0.003","95.425","0.003","96.535","0.004","1420.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 Nd O11 -","- C24 H34 N3 Nd O11 -","- C48 H68 N6 Nd2 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0386","0.0377","","","0.1047","0.1058","","","","","","1.109","","","","has coordinates,has disorder","279272","2022-11-14","23:49:43",""
"7245817","9.908","0.0016","11.1776","0.0018","13.939","0.002","109.534","0.004","95.57","0.004","96.701","0.005","1429.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Ce N3 O11 -","- C24 H34 Ce N3 O11 -","- C48 H68 Ce2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0398","0.0391","","","0.1092","0.1099","","","","","","1.039","","","","has coordinates,has disorder","279272","2022-11-14","23:49:43",""
"7245818","10.3633","0.0008","10.4061","0.0008","13.8433","0.001","81.375","0.003","70.977","0.003","89.188","0.003","1394.43","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Gd N3 O11 -","- C24 H34 Gd N3 O11 -","- C48 H68 Gd2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0231","0.0222","","","0.0594","0.0599","","","","","","1.083","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245819","10.0371","0.0003","11.144","0.0003","14.0248","0.0008","109.464","0.003","94.951","0.003","96.101","0.001","1458.25","0.11","296.15","","296.15","","","","2500000","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0363","0.0324","","","0.0804","0.0833","","","","","","1.019","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245820","9.8824","0.0004","10.0039","0.0004","13.3049","0.0009","98.203","0.004","111.376","0.004","91.257","0.002","1208.43","0.11","293","","293","","","","3500000","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0244","0.0216","","","0.0502","0.0512","","","","","","1.074","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245821","10.4991","0.0013","10.5703","0.0013","13.8816","0.0017","83.999","0.005","71.592","0.006","89.746","0.005","1453.1","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0567","0.0535","","","0.1506","0.1533","","","","","","1.111","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245822","10.3607","0.0008","10.4017","0.0008","13.8104","0.001","81.551","0.003","71.01","0.004","89.16","0.003","1391.18","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0281","0.0265","","","0.0719","0.0728","","","","","","1.116","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245823","10.3582","0.0008","10.4047","0.0008","13.799","0.0011","81.692","0.003","71.113","0.003","89.156","0.003","1391.52","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Dy N3 O11 -","- C24 H34 Dy N3 O11 -","- C48 H68 Dy2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0415","0.0402","","","0.108","0.1091","","","","","","1.072","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245824","10.0678","0.0011","11.1512","0.0012","14.0297","0.0015","109.416","0.003","95.138","0.003","95.947","0.003","1464.6","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.042","0.0411","","","0.1136","0.1146","","","","","","1.084","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245825","9.8113","0.0006","9.914","0.001","13.2568","0.0008","81.104","0.007","68.313","0.003","88.342","0.007","1183.23","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0396","0.0303","","","0.0589","0.062","","","","","","1.041","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245826","36.495","0.0004","16.3703","0.0002","60.2225","0.0006","90","","127.005","0.001","90","","28732.2","0.7","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C820 H1116 Br64 Dy32 N96 Ni64 O314 -","8","1","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0916","0.078","","","0.1933","0.2022","","","","","","1.104","","","","has coordinates,has disorder","281402","2023-03-04","18:07:13",""
"7245831","6.17726","0.00017","8.7053","0.0002","17.7126","0.0005","90","","100.039","0.003","90","","937.91","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl6 Ga2 N2 -","- C12 H12 Cl6 Ga2 N2 -","- C24 H24 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","1.54184","CuKα","","0.0187","0.0167","","","0.0431","0.0437","","","","","","1.055","","","","has coordinates","279300","2022-11-15","23:33:30",""
"7245832","10.04888","0.00013","10.04888","0.00013","24.976","0.0005","90","","90","","120","","2184.18","0.06","90","2","90","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H24 Al2 Cl6 N4 -","- C24 H24 Al2 Cl6 N4 -","- C72 H72 Al6 Cl18 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0336","0.0299","","","0.0742","0.0755","","","","","","1.003","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245833","10.0853","0.0003","10.0853","0.0003","24.8734","0.0008","90","","90","","120","","2191.01","0.12","90","2","90","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H24 Cl6 Ga2 N4 -","- C24 H24 Cl6 Ga2 N4 -","- C72 H72 Cl18 Ga6 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0469","0.0391","","","0.0974","0.1017","","","","","","1.022","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245834","6.47388","0.00017","10.5857","0.0002","14.3038","0.0004","90","","100.461","0.002","90","","963.95","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Al2 Cl6 N2 -","- C12 H12 Al2 Cl6 N2 -","- C24 H24 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","1.54178","CuKα","","0.0315","0.0262","","","0.064","0.0652","","","","","","0.946","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245835","11.7677","0.0005","9.7423","0.0007","11.5702","0.0006","90","","107.931","0.005","90","","1262.03","0.13","80","2","80","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 Al Br3 N4 -","- C24 H24 Al Br3 N4 -","- C48 H48 Al2 Br6 N8 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","0.6888","synchrotron","","0.0977","0.0903","","","0.2379","0.2432","","","","","","1.088","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245836","6.39529","0.00014","8.7687","0.0002","18.3104","0.0005","90","","98.845","0.002","90","","1014.61","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br6 Ga2 N2 -","- C12 H12 Br6 Ga2 N2 -","- C24 H24 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0333","0.0255","","","0.0583","0.0598","","","","","","0.951","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245837","6.40978","0.00014","8.7438","0.0002","18.2936","0.0004","90","","98.795","0.002","90","","1013.22","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Al2 Br6 N2 -","- C12 H12 Al2 Br6 N2 -","- C24 H24 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0266","0.0247","","","0.0655","0.0667","","","","","","1.067","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245838","10.3077","0.0001","30.5567","0.0003","13.49162","0.00013","90","","99.2974","0.001","90","","4193.62","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H72 Br12 Ga4 N12 -","- C72 H72 Br12 Ga4 N12 -","- C144 H144 Br24 Ga8 N24 -","2","1","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0552","0.0484","","","0.1203","0.1232","","","","","","1.078","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245839","9.7026","0.0012","9.9293","0.0013","12.8415","0.0016","100.645","0.002","99.837","0.002","116.544","0.002","1041.5","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd3 N4 O18 -","- C44 H34 Cd3 N4 O18 -","- C44 H34 Cd3 N4 O18 -","1","0.5","","Geng, Jun; Lin, Hongyan; Li, Xiaohui; Lu, Junjun; Wang, XiuLi","Improvement of the fluorescent sensing biomarker 3-nitrotyrosine for a new luminescent coordination polymer by size regulation","CrystEngComm","2022","","","","","10.1039/D2CE01397E","","x-ray","0.71073","MoKα","K-L~3~","0.0844","0.0501","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","279301","2022-11-15","23:34:19",""
"7245842","10.1024","0.0002","10.91929","0.00018","13.0659","0.0003","90","","106.645","0.002","90","","1380.92","0.05","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0352","0.0335","","","0.0841","0.0856","","","","","","1.028","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245843","10.1101","0.0002","10.85749","0.00019","13.0218","0.0003","90","","107.285","0.002","90","","1364.85","0.05","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0134","0.0131","","","0.0334","0.0335","","","","","","1.045","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245844","9.98147","0.00015","10.86524","0.00017","12.8851","0.0002","90","","106.697","0.0017","90","","1338.48","0.04","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0225","0.0219","","","0.0571","0.0573","","","","","","1.058","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245845","10.0967","0.0001","10.85","0.0001","13.0172","0.0002","90","","107.314","0.001","90","","1361.41","0.03","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0141","0.0136","","","0.0325","0.0327","","","","","","1.064","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245846","10.1059","0.0001","10.9312","0.0001","13.0682","0.0001","90","","106.621","0.001","90","","1383.32","0.02","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0461","0.0461","","","","","","1.073","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245847","9.9679","0.0002","10.8655","0.0002","12.8831","0.0004","90","","106.713","0.003","90","","1336.38","0.06","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0272","0.0256","","","0.0647","0.0659","","","","","","1.054","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245849","9.2418","0.0013","11.9961","0.0014","14.365","0.0019","87.506","0.01","79.734","0.011","75.312","0.01","1515.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0834","0.0487","","","0.0895","0.1041","","","","","","1.088","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245850","9.1331","0.0005","12.2577","0.0006","14.8298","0.0007","87.379","0.004","80.456","0.004","74.276","0.004","1575.96","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0785","0.0457","","","0.0938","0.1087","","","","","","1.027","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245851","16.379","0.005","16.507","0.003","16.949","0.004","72.005","0.017","70.41","0.02","66.18","0.02","3868.6","1.8","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 I3 O4 -","- C39 H47 I3 O4 -","- C156 H188 I12 O16 -","4","2","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0718","0.0444","","","0.0915","0.1033","","","","","","1.028","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245852","9.543","0.003","13.487","0.004","14.872","0.003","112.213","0.019","93.826","0.019","90.32","0.02","1767.1","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H43 Br3 O4 -","- C37 H43 Br3 O4 -","- C74 H86 Br6 O8 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0703","0.0475","","","0.1009","0.1158","","","","","","1.069","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245853","26.4658","0.0018","10.9463","0.0005","27.261","0.002","90","","100.532","0.006","90","","7764.5","0.9","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C264 H216 Br72 O24 -","8","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.1149","","","","","","1.044","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245854","14.5959","0.0015","13.3943","0.0012","19.924","0.003","90","","100.189","0.009","90","","3833.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Br6 O4 -","- C37 H40 Br6 O4 -","- C148 H160 Br24 O16 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0489","0.0359","","","0.0827","0.091","","","","","","1.057","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245855","17.7349","0.0011","23.194","0.003","8.796","0.004","90","","97.162","0.014","90","","3589.9","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C132 H108 Br36 O12 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0531","0.0309","","","0.056","0.0621","","","","","","1.009","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245856","6.3684","0.0002","7.8176","0.0002","18.5044","0.0007","90","","90","","90","","921.25","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Pregabalin","(R)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.043","0.0405","","","0.0975","0.0995","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:24",""
"7245857","7.5009","0.0001","7.5581","0.0001","26.1805","0.0003","90","","90","","90","","1484.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (S)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0268","0.0249","","","0.0586","0.0594","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245858","7.4404","0.0001","7.7039","0.0001","25.9566","0.0003","90","","90","","90","","1487.83","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (R)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0774","0.0778","","","","","","1.109","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245859","6.3444","0.0002","7.8094","0.0003","18.4933","0.0006","90","","90","","90","","916.27","0.05","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin","(S)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0321","0.0301","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245860","10.1307","0.0002","6.3539","0.0001","13.0633","0.0002","90","","95.469","0.002","90","","837.05","0.02","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Phenibut (S)-Mandelic Acid","(R)-3-phenyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0324","0.0315","","","0.0816","0.0824","","","","","","1.068","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245861","6.0517","0.0001","29.8989","0.0005","9.3069","0.0001","90","","92.641","0.001","90","","1682.19","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (S)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0309","0.03","","","0.0727","0.0733","","","","","","1.048","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245862","6.0771","0.0001","29.9265","0.0005","9.3066","0.0001","90","","92.662","0.001","90","","1690.73","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (R)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.051","0.0497","","","0.119","0.1205","","","","","","1.05","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245863","6.2455","0.0001","27.388","0.0005","9.9624","0.0002","90","","90.462","0.002","90","","1704.03","0.05","99.98","0.13","99.98","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (S)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0493","0.0458","","","0.1156","0.1186","","","","","","1.084","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245864","6.2527","0.0001","27.3848","0.0003","9.9603","0.0001","90","","90.483","0.001","90","","1705.43","0.04","99.97","0.16","99.97","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (R)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0297","0.0278","","","0.0679","0.0689","","","","","","1.035","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245870","30.0732","0.001","30.0732","0.001","29.0267","0.0011","90","","90","","120","","22734.6","1.4","298","1","298","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H342 N18 O104 Ti30 -","- C216 H342 N18 O104 Ti30 -","- C648 H1026 N54 O312 Ti90 -","3","0.166667","","Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming","A close-packed Ti6 and Ti12 nanocluster superstructure","CrystEngComm","2023","25","1","53","57","10.1039/D2CE01198K","","x-ray","1.54184","CuKα","","0.1774","0.1178","","","0.3109","0.3636","","","","","","1.133","","","","has coordinates,has disorder","281406","2023-03-04","18:08:21",""
"7245871","13.132","0.0004","6.6872","0.0002","13.2034","0.0004","90","","101.394","0.003","90","","1136.62","0.06","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N3 O7 -","- C9 H11 N3 O7 -","- C36 H44 N12 O28 -","4","0.5","","Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions","CrystEngComm","2023","25","2","245","266","10.1039/D2CE01387H","","","0.71073","MoKα","","0.0635","0.0506","","","0.1455","0.162","","","","","","1.057","","","","has coordinates","281441","2023-03-04","18:17:01",""
"7245875","11.6559","0.0005","11.4576","0.0004","30.1022","0.0011","90","","94.1818","0.0012","90","","4009.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C140 H180 Cl8 N12 O28 S12 Zn6 -","2","0.5","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.08","0.0712","","","0.1851","0.1907","","","","","","1.164","","","","has coordinates","281440","2023-03-04","18:16:55",""
"7245876","16.4499","0.0007","25.8927","0.0011","9.3733","0.0004","90","","90.8495","0.0012","90","","3992","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N3 O9 S3 Zn -","- C39 H45 N3 O9 S3 Zn -","- C156 H180 N12 O36 S12 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.1085","0.0964","","","0.2575","0.2677","","","","","","1.053","","","","has coordinates,has disorder","281440","2023-03-04","18:16:55",""
"7245877","9.6199","0.0007","9.1882","0.0005","17.4611","0.0011","90","","104.355","0.008","90","","1495.19","0.17","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C52 H40 Cu2 I8 N4 O12 -","2","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0522","0.0397","","","0.0825","0.0893","","","","","","1.048","","","","has coordinates,has disorder","281404","2023-03-04","18:07:42",""
"7245878","24.6536","0.0008","13.7854","0.0005","8.686","0.0003","90","","91.111","0.003","90","","2951.47","0.18","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C104 H80 Cu4 I16 N8 O24 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.075","0.0687","","","0.1492","0.1513","","","","","","1.203","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245879","32.1635","0.001","7.9649","0.0002","29.8771","0.001","90","","123.487","0.005","90","","6383.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 Cl4 Cu3 I4 N6 O6 -","- C56 H60 Cl4 Cu3 I4 N6 O6 -","- C224 H240 Cl16 Cu12 I16 N24 O24 -","4","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0765","0.0788","","","","","","1.046","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7245880","9.0941","0.0004","11.1084","0.0004","11.1815","0.0004","102.305","0.003","103.773","0.003","94.247","0.003","1062.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Cl Cu I2 N2 O3 -","- C19 H17 Cl Cu I2 N2 O3 -","- C38 H34 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0512","0.0395","","","0.0779","0.082","","","","","","1.026","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245881","7.8509","0.0003","8.4157","0.0005","10.9695","0.0006","79.902","0.005","77.108","0.004","87.265","0.004","695.52","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0568","0.0602","","","","","","1.027","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245882","11.0664","0.0006","11.0664","0.0006","23.521","0.002","90","","90","","90","","2880.5","0.3","140","2","140","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C75.2 H42.4 Cu4 I16 N9.6 O24 -","2","0.125","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0742","0.0539","","","0.147","0.1569","","","","","","1.089","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245883","17.3463","0.0003","17.3463","0.0003","19.8722","0.0005","90","","90","","90","","5979.4","0.2","140","2","140","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1165","0.1188","","","","","","1.16","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245884","17.7967","0.0006","17.7967","0.0006","19.2988","0.0009","90","","90","","90","","6112.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0403","0.0326","","","0.0834","0.0882","","","","","","1.023","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245885","8.5657","0.0002","11.8674","0.0002","13.5591","0.0003","89.25","0.001","85.618","0.001","89.773","0.001","1374.16","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0285","0.0229","","","0.0521","0.0537","","","","","","1.062","","","","has coordinates,has disorder","281404","2023-03-04","18:07:43",""
"7245886","9.9896","0.0005","7.298","0.0003","20.0687","0.001","90","","90.958","0.002","90","","1462.89","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I2 N O3 -","- C13 H9 Cu I2 N O3 -","- C52 H36 Cu4 I8 N4 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0616","0.0519","","","0.1202","0.1241","","","","","","1.172","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245887","16.9289","0.0004","16.9289","0.0004","19.3081","0.0006","90","","90","","90","","5533.5","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cu4 I8 N4 O12 -","- C48 H28 Cu4 I8 N4 O12 -","- C192 H112 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0294","0.0256","","","0.0581","0.06","","","","","","1.077","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245888","5.2711","0.0007","14.3697","0.0017","23.766","0.003","90","","90","","90","","1800.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cu I2 N2 O3 -","- C15 H12 Cu I2 N2 O3 -","- C60 H48 Cu4 I8 N8 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0595","0.0413","","","0.0816","0.0878","","","","","","0.952","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245889","9.3176","0.0003","11.6974","0.0004","11.8686","0.0004","73.151","0.003","71.895","0.003","89.946","0.003","1171.09","0.07","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl Cu I2 N2 O3 -","- C21 H21 Cl Cu I2 N2 O3 -","- C42 H42 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0672","0.0723","","","","","","1.009","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245890","17.7012","0.0004","17.7012","0.0004","20.5023","0.0008","90","","90","","90","","6424","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H44 Cu4 I8 N4 O12 -","- C56 H44 Cu4 I8 N4 O12 -","- C224 H176 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0477","0.0345","","","0.0813","0.089","","","","","","1.178","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245900","27.5957","0.0004","8.2299","0.0001","17.9221","0.0003","90","","96.375","0.001","90","","4045.12","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Br4 N2 Zn -","- C14 H20 Br4 N2 Zn -","- C112 H160 Br32 N16 Zn8 -","8","1","","Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang","Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission","CrystEngComm","2023","25","3","444","449","10.1039/D2CE01342H","","","1.54178","CuKα","","0.0456","0.0432","","","0.1052","0.1074","","","","","","1.154","","","","has coordinates","281466","2023-03-04","18:23:09",""
"7245901","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245902","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","","5","P -1","-P 1","2","","Silver Scandium Bis(chromate) Dihydrate","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","","","","0.0348","","","","","","","","","","","","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245903","5.3058","0.0005","10.0452","0.0009","28.782","0.002","90","","91.144","0.007","90","","1533.7","0.2","297.15","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C56 H48 Br4 Cl4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.1371","0.0964","","","0.2016","0.2253","","","","","","1.078","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245904","5.6908","0.0002","10.0921","0.0004","27.4423","0.0009","90","","84.574","0.003","90","","1569.01","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.056","0.0377","","","0.0781","0.0856","","","","","","1.058","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245905","11.1782","0.0009","10.3856","0.0006","15.2063","0.0016","90","","107.016","0.009","90","","1688.1","0.3","294.8","0.3","294.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0773","0.0467","","","0.0887","0.1028","","","","","","1.043","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245906","14.0434","0.0008","12.0064","0.0008","21.0629","0.0013","90","","90","","90","","3551.4","0.4","250.05","0.1","250.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C128 H128 Br16 N16 O32 -","8","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0891","0.0483","","","0.0512","0.0596","","","","","","1.019","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245910","3.7166","0.0001","7.2862","0.0003","15.168","0.0005","84.565","0.001","84.984","0.001","85.194","0.001","406.15","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl6 Cu3 N10 -","- C4 H12 Cl6 Cu3 N10 -","- C4 H12 Cl6 Cu3 N10 -","1","0.5","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0475","0.0435","","","0.0954","0.0973","","","","","","1.101","","","","has coordinates","279551","2022-11-24","23:37:13",""
"7245911","14.0559","0.0003","7.0932","0.0002","14.1687","0.0003","90","","90","","90","","1412.64","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl2 N5 -","- C2 H7 Cl2 N5 -","- C16 H56 Cl16 N40 -","8","1","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0453","0.0366","","","0.0809","0.0846","","","","","","1.15","","","","has coordinates","279551","2022-11-24","23:37:16",""
"7245912","19.883","0.004","7.0318","0.0014","25.673","0.005","90","","90","","90","","3589.4","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C128 H96 N64 O16 S16 -","16","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.3369","0.0633","","","0.0536","0.0942","","","","","","0.704","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245913","9.8771","0.0005","5.1276","0.0002","17.5128","0.0011","90","","101.776","0.005","90","","868.28","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","x-ray","1.54184","CuKα","","0.0585","0.053","","","0.1424","0.1691","","","","","","1.104","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245914","19.421","0.004","11.05","0.002","8.1836","0.0016","90","","101.58","0.03","90","","1720.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C64 H48 N32 O8 S8 -","8","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.2322","0.1225","","","0.1831","0.2179","","","","","","1.047","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245916","16.112","0.006","7.649","0.003","29.1","0.013","90","","101.562","0.005","90","","3514","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N3 O5 Zn -","- C13 H9 N2 O4 Zn -","- C104 H72 N16 O32 Zn8 -","8","1","","Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl","Pillared MOFs: structure and ring opening polymerization of cyclic esters","CrystEngComm","2023","25","2","267","283","10.1039/D2CE01317G","","","0.71073","MoKα","","0.0499","0.042","","","0.1039","0.1077","","","","","","1.094","","","","has coordinates,has disorder","281437","2023-03-04","18:16:06",""
"7245917","12.1692","0.0005","12.1692","0.0005","18.022","0.0011","90","","90","","120","","2311.31","0.19","170","2","170","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Gd7 N3 O32 -","- C15 H38 Cl4 Gd7 N3 O32 -","- C30 H76 Cl8 Gd14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","","0.71073","MoKα","","0.0415","0.0327","","","0.0746","0.0798","","","","","","1.073","","","","has coordinates,has disorder","281442","2023-03-04","18:17:10",""
"7245918","12.0761","0.0003","12.0761","0.0003","17.8609","0.0005","90","","90","","120","","2255.73","0.1","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Dy7 N3 O32 -","- C15 H38 Cl4.003 Dy7 N3 O32 -","- C30 H76 Cl8.006 Dy14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","x-ray","0.71073","MoKα","","0.0427","0.0373","","","0.0889","0.092","","","","","","1.134","","","","has coordinates,has disorder","281442","2023-03-04","18:17:11",""
"7245922","10.7519","0.0002","15.0363","0.0002","17.358","0.0003","71.4304","0.0013","81.7596","0.0016","84.38","0.0014","2628.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H134 Dy8 N20 O46 -","- C78 H130 Dy8 N18 O48 -","- C78 H130 Dy8 N18 O48 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","","1.54184","CuKα","","0.0927","0.0857","","","0.224","0.2326","","","","","","1.029","","","","has coordinates","281443","2023-03-04","18:17:21",""
"7245923","14.1647","0.0004","14.3993","0.0003","16.7338","0.0004","82.531","0.002","75.268","0.002","82.046","0.002","3253.05","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H158.39 Dy8 N18 O52 -","- C96 H170 Dy8 N16 O52 -","- C96 H170 Dy8 N16 O52 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","x-ray","1.54184","CuKα","","0.1075","0.1024","","","0.2773","0.2811","","","","","","1.098","","","","has coordinates","281443","2023-03-04","18:17:22",""
"7245924","12.7245","0.0014","13.5981","0.0019","19.076","0.003","90","","104.107","0.004","90","","3201.2","0.8","296","2","296.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C23 H16 Cd N7 O5 -","- C23 H16 Cd N7 O5 -","- C92 H64 Cd4 N28 O20 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0976","0.0759","","","0.1927","0.2115","","","","","","1.005","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245925","12.933","0.002","13.25","0.002","13.77","0.002","78.372","0.003","63.205","0.003","73.101","0.003","2008.5","0.5","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 Cd3 N12 O14 -","- C64 H46 Cd3 N12 O14 -","- C64 H46 Cd3 N12 O14 -","1","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0606","0.0481","","","0.1366","0.147","","","","","","1.047","","","","has coordinates","279631","2022-11-29","23:35:37",""
"7245926","17.729","0.002","21.126","0.003","21.855","0.003","90","","90","","90","","8185.6","1.9","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C83 H69 Cd4 N6 O25 -","- C83 H69 Cd4 N6 O25 -","- C332 H276 Cd16 N24 O100 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0814","0.052","","","0.1352","0.1555","","","","","","1.026","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245927","12.2932","0.0006","13.6174","0.0006","16.6873","0.0008","110.386","0.002","93.646","0.002","100.428","0.002","2550.8","0.2","193","2","192.98","","","","","","","","","5","P -1","-P 1","2","","","","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1306","0.0908","","","0.2768","0.3032","","","","","","1.051","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245928","11.5153","0.0004","13.8164","0.0005","15.7733","0.0006","93.479","0.002","101.463","0.002","106.683","0.002","2337.35","0.15","173","2","172.97","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0958","0.0776","","","0.218","0.2308","","","","","","1.042","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245929","18.0904","0.001","19.5106","0.0011","23.1862","0.0013","90","","100.466","0.003","90","","8047.5","0.8","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu Dy F30 N6 O18 -","- C65 H53 Cu Dy F30 N6 O18 -","- C260 H212 Cu4 Dy4 F120 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1255","0.0815","","","0.2432","0.273","","","","","","1.043","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245930","18.073","0.0014","19.5641","0.0015","23.334","0.002","90","","100.406","0.002","90","","8114.8","1.1","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu F30 N6 O18 Tb -","- C65 H53 Cu F30 N6 O18 Tb -","- C260 H212 Cu4 F120 N24 O72 Tb4 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1524","0.07","","","0.1622","0.2042","","","","","","1.018","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245931","18.0555","0.0015","19.5223","0.0016","23.2514","0.0017","90","","100.561","0.004","90","","8056.9","1.1","173","2","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 Cu F30 Gd N6 O18 -","- C65 H52 Cu F30 Gd N6 O18 -","- C260 H208 Cu4 F120 Gd4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1321","0.0785","","","0.2196","0.2555","","","","","","1.06","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245932","18.0246","0.0007","19.5088","0.0008","23.2859","0.001","90","","99.972","0.002","90","","8064.5","0.6","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 Cu F30 Ho N6 O18 -","- C65 H50 Cu F30 Ho N6 O18 -","- C260 H200 Cu4 F120 Ho4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0911","0.063","","","0.1861","0.2007","","","","","","1.049","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245936","9.4105","0.0014","9.5147","0.0014","9.8831","0.0015","106.078","0.002","94.529","0.002","92.03","0.002","846.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","1","0.5","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","","0.71073","MoKα","","0.027","0.0254","","","0.065","0.0658","","","","","","1.042","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245937","16.6143","0.0005","10.5019","0.0003","8.8282","0.0003","90","","103.725","0.004","90","","1496.38","0.08","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 F2 N4 O5 S2 -","- C8 H18 F2 N4 O5 S2 -","- C32 H72 F8 N16 O20 S8 -","4","1","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","x-ray","0.71073","MoKα","","0.0354","0.0306","","","0.0802","0.0841","","","","","","1.068","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245938","6.6346","0.0004","13.3837","0.0008","15.6515","0.0009","88.032","0.002","86.315","0.002","79.276","0.003","1362.33","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N4 S5 -","- C10 H4 N4 S5 -","- C40 H16 N16 S20 -","4","2","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0827","0.0579","","","0.144","0.1524","","","","","","1.096","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245939","7.5481","0.0002","7.7702","0.0002","12.5117","0.0003","74.645","0.001","85.362","0.002","69.681","0.001","663.54","0.03","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","1","0.5","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0248","0.0195","","","0.0402","0.0417","","","","","","1.102","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245940","9.8502","0.0005","10.6342","0.0005","14.8943","0.0007","90","","103.318","0.002","90","","1518.2","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H4 F4 N2 S5 -","- C12 H4 F4 N2 S5 -","- C48 H16 F16 N8 S20 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0543","0.0352","","","0.0637","0.0696","","","","","","1.038","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245941","11.0656","0.0004","8.8374","0.0003","12.0606","0.0004","90","","104.261","0.002","90","","1143.07","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 N4 S3 -","- C11 H6 N4 S3 -","- C44 H24 N16 S12 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0689","0.0495","","","0.1171","0.1254","","","","","","1.083","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245942","7.3298","0.0002","7.8942","0.0003","26.3901","0.0009","95.969","0.001","92.984","0.001","90.116","0.001","1516.63","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N12 S6 Se3 -","- C21 H6 N12 S6 Se3 -","- C42 H12 N24 S12 Se6 -","2","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0644","0.0371","","","0.0545","0.0595","","","","","","1.044","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245945","8.2636","0.0017","13.032","0.003","14.403","0.003","83.04","0.03","83.82","0.03","89.68","0.03","1530.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 Cl2 Co N8 O4 -","- C36 H20 Cl2 Co N8 O4 -","- C72 H40 Cl4 Co2 N16 O8 -","2","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","0.71073","MoKα","","0.1697","0.1306","","","0.3517","0.3813","","","","","","1.094","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245946","8.7689","0.0003","14.4511","0.0003","15.1302","0.0005","85.962","0.002","88.842","0.002","82.075","0.002","1894.17","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","1","0.5","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.0681","0.0648","","","0.2003","0.2055","","","","","","1.093","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245947","19.52525","0.00015","19.52525","0.00015","28.034","0.0002","90","","90","","120","","9255.69","0.12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H12 Cl Co N5 O6 -","- C18 H12 Cl Co N5 O6 -","- C324 H216 Cl18 Co18 N90 O108 -","18","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.044","0.0427","","","0.1427","0.1447","","","","","","1.105","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245949","29.9967","0.0004","17.1308","0.0002","14.7811","0.0002","90","","90","","90","","7595.53","0.17","100","0.14","100","0.14","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","","1.54184","CuKα","","0.0571","0.0518","","","0.1471","0.1504","","","","","","1.088","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245950","14.7259","0.0002","17.3191","0.0002","30.0077","0.0004","90","","90","","90","","7653.14","0.17","99.98","0.12","99.98","0.12","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","x-ray","1.54178","CuKα","","0.0443","0.0426","","","0.1232","0.1251","","","","","","1.049","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245951","9.089","0.003","11.287","0.003","13.926","0.004","90","","90","","90","","1428.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N5 S -","- C10 H23 N5 S -","- C40 H92 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0531","0.0441","","","0.1011","0.1061","","","","","","1.082","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245952","9.1606","0.0016","17.221","0.003","21.778","0.004","90","","90","","90","","3435.6","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N5 S -","- C15 H25 N5 S -","- C120 H200 N40 S8 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0644","0.0584","","","0.1515","0.1574","","","","","","1.053","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245953","10.9568","0.0006","13.7361","0.0007","16.5427","0.0008","90","","90","","90","","2489.7","0.2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N3 S2 -","- C9 H19 N3 S2 -","- C72 H152 N24 S16 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0341","0.03","","","0.0637","0.0652","","","","","","1.153","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245954","17.8848","0.0014","6.9574","0.0004","23.625","0.0017","90","","90","","90","","2939.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23.23 N3 S2 -","- C11 H23.2315 N3 S2 -","- C88 H185.852 N24 S16 -","8","2","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.078","0.0589","","","0.1132","0.1276","","","","","","1.097","","","","has coordinates,has disorder","281436","2023-03-04","18:15:58",""
"7245955","9.0734","0.0009","13.2194","0.0013","13.1558","0.0014","90","","107.249","0.004","90","","1507","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N5 S -","- C13 H21 N5 S -","- C52 H84 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0823","0.0748","","","0.1862","0.1937","","","","","","1.035","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245959","15.5585","0.0002","16.1849","0.0003","7.6725","0.0001","90","","100.337","0.002","90","","1900.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cu N8 O -","- C21 H13 Cu N8 O -","- C84 H52 Cu4 N32 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","1.54184","CuKα","","0.0373","0.0333","","","0.0954","0.0971","","","","","","1.035","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245960","10.6532","0.0005","16.4768","0.0008","13.9291","0.0007","90","","102.397","0.002","90","","2388","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu N9 O -","- C24 H20 Cu N9 O -","- C96 H80 Cu4 N36 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","0.71073","MoKα","","0.1251","0.0627","","","0.1575","0.1822","","","","","","1.07","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245961","23.862","0.003","23.862","0.003","7.2102","0.0014","90","","90","","90","","4105.5","1.1","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C2.25 H1.5 Cl0.06 Cu0.25 N O1.25 -","- C2.25 H1.5 Cl0.0625 Cu0.25 N O1.25 -","- C72 H48 Cl2 Cu8 N32 O40 -","32","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.0718","0.0663","","","0.1906","0.1986","","","","","","1.175","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245962","13.7089","0.0004","26.6171","0.0006","15.8127","0.0004","90","","90","","90","","5769.9","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H17 Cu2 N6.5 O6.5 -","- C20 H17 Cu2 N6.5 O6.5 -","- C160 H136 Cu16 N52 O52 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.062","0.055","","","0.155","0.1602","","","","","","1.069","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245963","26.3697","0.0017","13.479","0.0012","15.7382","0.0006","90","","90","","90","","5593.9","0.7","273","2","273.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H16 Cu2 N6.5 O7.5 -","- C20 H16 Cu2 N6.5 O7.5 -","- C160 H128 Cu16 N52 O60 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.1414","0.1254","","","0.3314","0.3426","","","","","","1.148","","","","has coordinates,has disorder","281457","2023-03-04","18:21:01",""
"7245964","8.9457","0.0006","9.3395","0.0006","8.9601","0.0006","90","","92.48","0.002","90","","747.9","0.09","100","2","100.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0593","0.0554","","","0.1487","0.1524","","","","","","1.049","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245965","6.9655","0.0003","9.4546","0.0005","14.4579","0.0007","90","","90.205","0.002","90","","952.13","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0494","0.0417","","","0.0954","0.099","","","","","","1.075","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245966","9.828","0.001","14.0136","0.0014","15.9826","0.0016","101.543","0.003","96.517","0.003","94.398","0.002","2131.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N4 O5 -","- C8 H12 N4 O5 -","- C64 H96 N32 O40 -","8","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0547","0.0535","","","0.1558","0.1572","","","","","","1.069","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245967","6.7614","0.0003","17.1948","0.0007","9.2263","0.0004","90","","102.643","0.002","90","","1046.65","0.08","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.043","0.0369","","","0.0964","0.1001","","","","","","1.048","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245968","8.1649","0.0007","40.876","0.003","10.4997","0.0008","90","","92.5","0.002","90","","3500.9","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C128 H176 N48 O32 -","16","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0652","0.0416","","","0.0896","0.0994","","","","","","1.02","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245969","9.9111","0.0009","10.2045","0.0009","15.5393","0.0014","81.938","0.004","74.159","0.004","62.779","0.003","1344.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C40 H72 N16 O24 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0367","0.0362","","","0.0996","0.1001","","","","","","1.076","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245970","4.6981","0.0002","14.0421","0.0006","14.3987","0.0008","90","","99.168","0.002","90","","937.76","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0436","0.0363","","","0.0889","0.093","","","","","","1.0525","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245971","9.3661","0.0003","36.0462","0.0012","7.5101","0.0003","90","","109.84","0.001","90","","2385.01","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C72 H112 N32 O40 -","8","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0621","0.0597","","","0.1507","0.1523","","","","","","1.0445","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245972","15.916","0.002","13.6511","0.0017","12.5195","0.0015","90","","107.201","0.004","90","","2598.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N7 O3 S2 Zn -","- C25 H24 N7 O3 S2 Zn -","- C100 H96 N28 O12 S8 Zn4 -","4","0.5","","Debsharma, Kingshuk; Dey, Sunanda; Das, Dhananjoy; Halder, Satyajit; Ortega-Castro, Joaquin; Sarkar, Sarita; Dutta, Basudeb; Maity, Suvendu; Jana, Kuladip; Frontera, Antonio; Ray, Partha Pratim; Sinha, Chittaranjan","Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity","CrystEngComm","2023","25","1","162","172","10.1039/D2CE01128J","","","0.71073","MoKα","","0.066","0.0489","","","0.1249","0.1385","","","","","","1.066","","","","has coordinates,has disorder","281408","2023-03-04","18:08:39",""
"7245980","6.4885","0.0006","14.7897","0.0014","13.388","0.0012","90","","97.518","0.003","90","","1273.7","0.2","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.54178","CuKα","","0.0655","0.0524","","","0.1632","0.1773","","","","","","1.3","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245981","6.445","","14.509","","13.037","","90","","97.96","","90","","1207.35","","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.45567","neutrons","","0.0422","0.0422","","","0.1011","0.1011","","","","","","1.293","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245982","6.4131","0.0001","14.5111","0.0002","13.5715","0.0002","90","","90.415","0.001","90","","1262.95","0.03","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Cl4 Fe N O1.5 -","- C7 H13 Cl4 Fe N O1.5 -","- C28 H52 Cl16 Fe4 N4 O6 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","0.71073","MoKα","","0.0238","0.0213","","","0.0467","0.0481","","","","","","1.051","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245990","15.6207","0.0007","11.8216","0.0005","17.4359","0.0008","90","","102.544","0.002","90","","3142.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N4 O7 Zn -","- C38 H26 N4 O7 Zn -","- C152 H104 N16 O28 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.11","0.0531","","","0.0856","0.109","","","","","","1.054","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245991","24.4085","0.0008","7.3774","0.0002","16.2629","0.0005","90","","91.409","0.001","90","","2927.6","0.15","170","","170","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O6 Zn -","- C34 H26 N4 O6 Zn -","- C136 H104 N16 O24 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0681","0.0484","","","0.0977","0.1062","","","","","","1.138","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245992","15.2073","0.0006","15.9899","0.0006","17.3921","0.0007","115.193","0.001","101.925","0.001","92.73","0.001","3700.1","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N8 O14 Zn2 -","- C92 H60 N8 O14 Zn2 -","- C184 H120 N16 O28 Zn4 -","2","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0977","0.0551","","","0.098","0.1188","","","","","","1.055","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245994","7.685","0.002","9.764","0.003","52.921","0.016","90","","90","","90","","3971","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 N6 O4 -","- C41 H56 N6 O4 -","- C164 H224 N24 O16 -","4","1","","Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha","Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid","CrystEngComm","2023","25","4","601","613","10.1039/D2CE01216B","","","0.71073","MoKα","","0.107","0.0599","","","0.1209","0.1385","","","","","","1.041","","","","has coordinates","281434","2023-03-04","18:15:21",""
"7245995","7.8327","0.0011","8.7671","0.0013","10.3665","0.0015","109.953","0.006","105.723","0.006","95.799","0.007","629.2","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl2 Cu N O4 -","- C11 H7 Cl2 Cu N O4 -","- C22 H14 Cl4 Cu2 N2 O8 -","2","1","","Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs","CrystEngComm","2023","25","5","813","821","10.1039/D2CE01331B","","","0.71073","MoKα","","0.0863","0.0841","","","0.2641","0.2653","","","","","","1.021","","","","has coordinates","281423","2023-03-04","18:12:37",""
"7245996","3.9181","0.0006","24.592","0.003","13.0589","0.0012","90","","96.386","0.011","90","","1250.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0706","0.0497","","","0.1209","0.1407","","","","","","1.058","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245997","8.0931","0.0003","14.2729","0.0005","11.3085","0.0006","90","","94.304","0.004","90","","1302.58","0.1","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0555","0.05","","","0.1432","0.1494","","","","","","1.057","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245998","7.4169","0.0002","14.166","0.003","11.8164","0.0003","90","","101.101","0.0011","90","","1218.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","0.71073","MoKα","","0.0444","0.0383","","","0.0978","0.102","","","","","","1.052","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7245999","7.4767","0.0012","10.7575","0.0017","17.909","0.003","75.646","0.014","83.673","0.013","79.935","0.014","1370.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","2","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.1069","0.0567","","","0.1323","0.174","","","","","","1.005","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246000","6.8139","0.0001","24.3841","0.0005","7.4421","0.0001","90","","93.896","0.002","90","","1233.65","0.04","300.42","0.1","300.42","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0438","0.0397","","","0.1167","0.1203","","","","","","1.096","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246001","19.3362","0.0012","10.0456","0.0006","14.15","0.0007","90","","107.503","0.006","90","","2621.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","1.54184","CuKα","","0.0557","0.0433","","","0.1168","0.1316","","","","","","1.041","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7246005","40.3","0.006","40.3","0.006","5.176","0.001","90","","90","","120","","7280","2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H98 N12 O13 -","- C120 H98.0002 N12 O13 -","- C360 H294.001 N36 O39 -","3","0.166667","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.65","synchrotron","","0.071","0.0573","","","0.1746","0.1826","","","","","","1.144","","","","has coordinates,has disorder","281464","2023-03-04","18:22:51",""
"7246006","8.349","0.0017","16.722","0.003","11.913","0.002","90","","95.15","0.03","90","","1656.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.63","synchrotron","","0.0578","0.0545","","","0.1563","0.1594","","","","","","1.108","","","","has coordinates","281464","2023-03-04","18:22:51",""
"7246009","8.024","0.005","26.656","0.016","11.743","0.007","90","","107.018","0.009","90","","2402","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O13 Tb2 -","- C24 H14 O13 Tb2 -","- C96 H56 O52 Tb8 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.1026","0.0865","","","0.166","0.174","","","","","","1.135","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246010","9.9148","","9.9148","","7.48","","90","","90","","120","","636.796","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pentalead Tris(phosphate(V)) Iodide","","- I O12 P3 Pb5 -","- I O12 P3 Pb5 -","- I2 O24 P6 Pb10 -","2","0.166667","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","","","","","","","","","","","","","","","","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246011","5.1171","0.0006","7.2429","0.0007","11.4209","0.0011","85.712","0.005","77.27","0.005","80.208","0.005","406.56","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","1","0.5","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.0551","0.0395","","","0.0848","0.0917","","","","","","1.006","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246012","5.0894","0.0003","7.1344","0.0003","11.405","0.0004","86.127","0.003","77.266","0.004","81.424","0.004","399.15","0.03","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cu0.5 N2 O5 -","- C7 H7 Cu0.5 N2 O5 -","- C14 H14 Cu N4 O10 -","2","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0393","0.0359","","","0.0975","0.099","","","","","","1.093","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246013","10.5484","0.0002","22.2344","0.0006","7.2264","0.00018","90","","102.125","0.002","90","","1657.05","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N2 O8 -","- C17 H16 Cu N2 O8 -","- C68 H64 Cu4 N8 O32 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0287","0.026","","","0.0732","0.0745","","","","","","1.067","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246015","23.393","0.005","8.6036","0.0019","13.597","0.003","90","","107.497","0.007","90","","2610","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N10 O6 Zn -","- C22 H28 N10 O6 Zn -","- C88 H112 N40 O24 Zn4 -","4","0.5","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0573","0.0363","","","0.0842","0.088","","","","","","0.972","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246016","9.473","0.004","13.927","0.006","13.293","0.005","90","","105.063","0.005","90","","1693.5","1.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl3 N5 O2 Zn -","- C11 H14 Cl3 N5 O2 Zn -","- C44 H56 Cl12 N20 O8 Zn4 -","4","1","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0608","0.0346","","","0.0715","0.0804","","","","","","0.971","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246017","6.9649","0.0004","13.9228","0.0009","21.536","0.0014","106.716","0.002","91.562","0.002","103.885","0.002","1931.2","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","4-4","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C66 H40 N4 O8 S12 -","2","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1116","0.0777","","","0.2687","0.292","","","","","","1.114","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246018","6.261","0.0003","19.6413","0.0009","32.8415","0.0015","90","","94.938","0.001","90","","4023.7","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C132 H80 N8 O16 S24 -","4","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1548","0.1219","","","0.3874","0.4128","","","","","","1.65","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246019","6.1","0.002","6.259","0.002","15.42","0.002","85.66","0.002","80.031","0.002","74.466","0.002","558.4","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","pregabalin","3-(aminomethyl)-5-methylhexanoic acid","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C16 H38 N2 O6 -","2","1","","Bosits, Miklós H.; Bereczki, Laura; Bombicz, Petra; Szalay, Zsófia; Pataki, Hajnalka; Demeter, Ádám","Design of diastereomeric salt resolution via multicomponent system characterization: a case study with hydrate formation","CrystEngComm","2023","25","4","641","652","10.1039/D2CE01490D","","","0.71073","MoKα","","0.1286","0.0921","","","0.2419","0.2678","","","","","","1.162","","","","has coordinates,has disorder","281428","2023-03-04","18:13:23",""
"7246020","18.40122","0.00019","17.9816","0.0002","22.503","0.0003","90","","103.67","0.0011","90","","7234.95","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C304 H336 N80 O64 -","16","4","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0461","0.0384","","","0.0995","0.1053","","","","","","1.032","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246021","7.85094","0.00007","17.15939","0.00018","14.25371","0.00012","90","","101.586","0.0008","90","","1881.1","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C76 H84 N20 O16 -","4","1","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0362","0.0347","","","0.096","0.0976","","","","","","1.048","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246024","16.053","0.003","7.0422","0.0014","21.68","0.004","90","","107.705","0.003","90","","2334.8","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Ag2 I3 N3 -","- C18 H20 Ag2 I3 N3 -","- C72 H80 Ag8 I12 N12 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0528","0.0382","","","0.0852","0.0917","","","","","","1.065","","","","has coordinates","281433","2023-03-04","18:15:13",""
"7246025","7.1992","0.0004","13.5373","0.0008","22.6977","0.0014","90","","90.181","0.001","90","","2212.1","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Ag2 I3 N2 O -","- C17 H21 Ag2 I3 N2 O -","- C68 H84 Ag8 I12 N8 O4 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0473","0.0426","","","0.1131","0.1156","","","","","","1.18","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246026","8.1248","0.0007","13.8287","0.0012","22.9897","0.0019","100.297","0.002","93.606","0.002","103.612","0.002","2455.1","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Ag5 I7 N4 O4 -","- C36 H46 Ag5 I7 N4 O4 -","- C72 H92 Ag10 I14 N8 O8 -","2","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0561","0.0401","","","0.0902","0.0967","","","","","","1.058","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246027","6.6663","0.0008","12.5943","0.0014","10.8361","0.0011","90","","91.856","0.01","90","","909.29","0.18","242.98","0.1","242.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","1","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.1196","0.1079","","","0.2922","0.3153","","","","","","1.106","","","","has coordinates","281417","2023-03-04","18:10:54",""
"7246028","12.6831","0.0003","10.8758","0.0002","6.7333","0.0002","90","","90","","90","","928.78","0.04","327.97","0.1","327.97","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0685","0.0662","","","0.2212","0.226","","","","","","1.125","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246029","12.6737","0.0004","10.861","0.0004","6.7004","0.0002","90","","90","","90","","922.3","0.05","292.96","0.1","292.96","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0787","0.0735","","","0.2213","0.2287","","","","","","1.111","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246035","14.192","0.004","3.6287","0.0009","15.065","0.003","90","","97.547","0.007","90","","769.1","0.3","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.1281","0.0791","","","0.1532","0.1726","","","","","","1.083","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246036","11.839","0.005","11.905","0.006","12.412","0.005","93.001","0.016","116.196","0.017","113.954","0.014","1376.1","1.1","360","2","360","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4441","0.1244","","","0.1771","0.3065","","","","","","0.937","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246037","11.855","0.004","11.927","0.005","12.429","0.004","93.021","0.016","116.163","0.016","113.993","0.013","1382.2","0.9","355","2","355","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.3987","0.1287","","","0.1479","0.2369","","","","","","0.929","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246038","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0651","0.0423","","","0.1499","0.0887","","","","","","1","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246039","11.819","0.003","11.875","0.004","12.418","0.004","92.958","0.009","116.097","0.01","114.336","0.01","1367.1","0.8","310","","310","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.2744","0.1036","","","0.1699","0.2485","","","","","","0.955","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246040","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0063","0.0054","","","0.0166","0.0206","","","","","","0.997","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246041","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0528","0.0294","","","0.0428","0.0331","","","","","","1.006","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246042","11.849","0.007","11.915","0.007","12.432","0.008","92.987","0.016","116.174","0.014","114.04","0.015","1379.8","1.5","350","2","350","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4006","0.1358","","","0.2096","0.3477","","","","","","1.0497","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246043","7.37","0.02","8.24","0.02","11.73","0.03","79.49","0.09","89.55","0.11","89.28","0.12","700","3","363","2","363","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4601","0.0882","","","0.1326","0.2508","","","","","","0.892","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246045","10.9825","0.0001","22.9575","0.0002","23.0079","0.0002","90","","98.137","0.001","90","","5742.6","0.09","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Dy5 N3 O24 -","- C46 H59 Dy5 N3 O24 -","- C184 H236 Dy20 N12 O96 -","4","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","1.54184","CuKα","","0.0534","0.0486","","","0.1218","0.1244","","","","","","1.111","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246046","10.925","0.0003","11.2522","0.0004","16.2537","0.0005","96.322","0.003","98.838","0.002","111.745","0.003","1803.23","0.11","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","1","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0425","0.0293","","","0.0597","0.0658","","","","","","1.045","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246047","22.636","0.0003","16.7245","0.0002","23.9473","0.0003","90","","90","","90","","9065.9","0.2","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H84 Dy6 N6 O32 -","- C80 H96 Dy6 N8 O32 -","- C320 H384 Dy24 N32 O128 -","4","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.0887","0.0967","","","","","","1.127","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246048","14.1814","0.0005","15.2007","0.0007","17.7267","0.0006","79.139","0.003","89.186","0.003","64.683","0.004","3382.9","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O14 -","- C62 H64 Dy2 N6 O14 -","- C124 H128 Dy4 N12 O28 -","2","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0738","0.0471","","","0.0862","0.1062","","","","","","1.094","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246053","19.733","0.002","11.4151","0.001","45.913","0.004","90","","90.061","0.005","90","","10342.1","1.7","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H36 Co2 N4 O9.33 S -","- C30 H36 Co2 N4 O9.3333 S -","- C360 H432 Co24 N48 O112 S12 -","12","3","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0551","0.0418","","","0.1075","0.1152","","","","","","1.093","","","","has coordinates","281444","2023-03-04","18:17:39",""
"7246054","10.9212","0.0017","11.0738","0.0017","18.188","0.003","81.668","0.005","83.745","0.005","64.344","0.004","1959.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Co2 N4 O9 S2 -","- C34 H44 Co2 N4 O9 S2 -","- C68 H88 Co4 N8 O18 S4 -","2","1","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0581","0.0441","","","0.1348","0.157","","","","","","0.835","","","","has coordinates,has disorder","281444","2023-03-04","18:17:39",""
"7246059","12.0496","0.0005","10.0022","0.0003","17.5237","0.0006","90","","100.888","0.002","90","","2073.98","0.13","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Cl2 N10 Ni -","- C36 H28 Cl2 N10 Ni -","- C72 H56 Cl4 N20 Ni2 -","2","0.5","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.065","0.0574","","","0.1625","0.1685","","","","","","1.059","","","","has coordinates","281424","2023-03-04","18:12:48",""
"7246060","8.9394","0.0009","9.4121","0.0009","10.6613","0.001","72.028","0.002","70.686","0.002","77.774","0.002","799.2","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.0919","0.0526","","","0.1261","0.1496","","","","","","1.022","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246061","7.623","0.011","10.098","0.015","11.325","0.017","110.36","0.03","103.14","0.03","95.07","0.03","782","2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Cl N5 -","- C18 H14 Cl N5 -","- C36 H28 Cl2 N10 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.1672","0.0803","","","0.2193","0.305","","","","","","0.942","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246062","24.2098","0.0006","10.0344","0.0002","17.4741","0.0004","90","","101.13","0.001","90","","4165.16","0.16","293","","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H41 Cl Co N10 O8 -","- C36 H41 Cl Co N10 O8 -","- C144 H164 Cl4 Co4 N40 O32 -","4","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.084","0.0674","","","0.2103","0.2266","","","","","","1.098","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246063","18.1682","0.0002","21.115","0.0002","23.715","0.0003","90.108","0.001","109.627","0.001","106.649","0.001","8161.1","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C266 H377 Cu12 Dy14 N30 O119.5 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","1","0.5","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0609","0.0555","","","0.1448","0.15","","","","","","1.018","","","","has coordinates,has disorder","280071","2023-01-01","00:18:39",""
"7246064","3.812","0.003","8.905","0.004","10.498","0.005","90","","95.02","0.04","90","","355","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-nitrobenzo[<i>c</i>][1,2,5]thiadiazole","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C12 H6 N6 O4 S2 -","2","1","","Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto","Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole","CrystEngComm","2023","25","5","859","865","10.1039/D2CE01619B","","x-ray","0.71073","MoKα","","0.0717","0.0478","","","0.1085","0.1229","","","","","","1.044","","","","has coordinates","281421","2023-03-04","18:11:36",""
"7246065","8.4102","0.0002","24.2114","0.0006","15.6405","0.0004","90","","91.32","0.001","90","","3183.92","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 O17.5 Zn3 -","- C32 H24 O17.5 Zn3 -","- C128 H96 O70 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0444","0.0356","","","0.1003","0.1062","","","","","","1.069","","","","has coordinates","280082","2023-01-03","23:34:18",""
"7246066","7.1877","0.0003","10.8583","0.0004","12.6345","0.0005","104.476","0.001","91.4","0.001","94.091","0.001","951.42","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N0 O9.5 Zn2 -","- C16 H12 O9.5 Zn2 -","- C32 H24 O19 Zn4 -","2","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0259","0.0252","","","0.085","0.0855","","","","","","1.022","","","","has coordinates,has disorder","280082","2023-01-03","23:34:18",""
"7246067","24.416","0.002","13.1343","0.0013","18.2143","0.0019","90","","97.684","0.003","90","","5788.6","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 N10 O15.5 Zn3 -","- C57 H56 N10 O15.5 Zn3 -","- C228 H224 N40 O62 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71076","MoKα","","0.0903","0.0665","","","0.1773","0.1925","","","","","","1.053","","","","has coordinates,has disorder","280082","2023-01-03","23:34:19",""
"7246077","23.2569","0.001","19.241","0.0008","28.2143","0.0014","90","","101.344","0.002","90","","12378.9","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H141 Co7 Dy N15 O43 -","- C102 H102 Co7 Dy N12 O28 -","- C408 H408 Co28 Dy4 N48 O112 -","4","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.1038","0.0648","","","0.1294","0.142","","","","","","1.083","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246078","11.9878","0.0017","13.463","0.0019","19.444","0.003","103.072","0.002","97.912","0.002","100.201","0.002","2956.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Co2 Dy2 N12 O25.5 -","- C44 H44 Co2 Dy2 N10 O23 -","- C88 H88 Co4 Dy4 N20 O46 -","2","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.0736","0.0457","","","0.0842","0.0895","","","","","","1.146","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246079","6.8","0.1","11.2","0.2","17.7","0.4","78.4","0.5","83.9","0.5","72.9","0.5","1261","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","triphenylene-TCNQ","","- C30 H16 N4 -","- C30 H16 N4 -","- C60 H32 N8 -","2","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.502","0.4104","","","0.6773","0.7287","","","","","","2.925","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246080","9.4","0.2","7.18","0.05","32.2","0.2","90","","98.4","0.5","90","","2150","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCNQF2, Triphenylene","7,7,8,8-tetracyanoquinodimethane, 9,10-Benzophenanthrene Isochrysene Benzo[l]phenanthrene","","- C30 H14 F2 N4 -","- C30 H14 F2 N4 -","- C120 H56 F8 N16 -","4","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.373","0.3066","","","0.6648","0.7159","","","","","","1.156","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246081","17.8","0.4","17.4","0.3","9.2","0.18","90","","130.3","0.5","90","","2173","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triphenylene-TCNQF4","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C120 H48 F16 N16 -","4","0.5","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.4199","0.3533","","","0.5815","0.6369","","","","","","2.461","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246082","20.123","0.005","21.977","0.006","20.646","0.006","90","","95.924","0.01","90","","9082","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 F10 N4 -","- C66 H76 F10 N4 -","- C264 H304 F40 N16 -","4","0.5","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1966","0.1377","","","0.3982","0.4714","","","","","","1.6081","","","","has coordinates","281422","2023-03-04","18:12:31",""
"7246083","22.241","0.008","10.099","0.004","20.932","0.007","90","","93.166","0.006","90","","4694","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Co N6 O4 -","- C24 H23 Co N6 O4 -","- C192 H184 Co8 N48 O32 -","8","1","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1112","0.0921","","","0.2291","0.244","","","","","","1.045","","","","has coordinates,has disorder","281422","2023-03-04","18:12:31",""
"7246084","8.94","0.005","12.233","0.005","14.394","0.005","87.621","0.005","72.178","0.005","77.266","0.005","1461.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N8 O10 Zn2 -","- C23 H20 N8 O10 Zn2 -","- C46 H40 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.071","0.0509","","","0.1156","0.1246","","","","","","1.091","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246085","8.1969","0.0008","9.3522","0.0009","10.159","0.001","104.479","0.003","113.104","0.003","105.177","0.003","634.41","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","1","0.5","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0432","0.04","","","0.1044","0.1063","","","","","","1.126","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246086","10.8004","0.0008","15.8656","0.0013","16.4535","0.0013","90","","91.071","0.003","90","","2818.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0301","0.0227","","","0.0534","0.0587","","","","","","1.105","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246087","8.7683","0.0007","12.2482","0.0009","14.431","0.0009","87.618","0.002","72.671","0.002","77.004","0.003","1441.05","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O10 Zn2 -","- C23 H18 N8 O10 Zn2 -","- C46 H36 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.1033","0.0899","","","0.24","0.2565","","","","","","1.02","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246088","10.8053","0.0012","15.8625","0.0017","16.4783","0.0018","90","","90.987","0.003","90","","2823.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0511","0.0379","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246089","8.4948","0.0008","8.8675","0.0008","9.1411","0.0009","62.811","0.002","72.947","0.002","87.063","0.002","582.78","0.1","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","1","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0149","0.0149","","","0.0406","0.0406","","","","","","1.09","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246090","10.639","0.003","11.7","0.002","13.178","0.003","77.2","0.01","75.01","0.04","66","0.01","1434.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl N5 O10 -","- C28 H32 Cl N5 O10 -","- C56 H64 Cl2 N10 O20 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0744","0.0546","","","0.1532","0.175","","","","","","0.929","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246091","9.761","0.001","10.491","0.001","14.285","0.002","69.04","0.01","80.93","0.01","82.77","0.01","1345.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl N5 O5 -","- C29 H30 Cl N5 O5 -","- C58 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0441","0.038","","","0.1005","0.1053","","","","","","1.022","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246092","11.189","0.001","11.669","0.001","12.054","0.002","102.4","0.05","113.18","0.04","108.06","0.05","1269.3","1.1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl N5 O5 -","- C25 H30 Cl N5 O5 -","- C50 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0836","0.057","","","0.1745","0.2038","","","","","","1.251","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246093","10.615","0.001","11.596","0.001","11.894","0.001","101.11","0.05","111.12","0.05","108.46","0.04","1215.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl N5 O5 -","- C24 H29 Cl N5 O5 -","- C48 H58 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0725","0.0533","","","0.1283","0.142","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246094","24.266","0.004","6.249","0.001","17.38","0.002","90","","110.14","0.04","90","","2474.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N5 O6 -","- C25 H27 Cl N5 O6 -","- C100 H108 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0824","0.0586","","","0.1279","0.1393","","","","","","1.044","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246095","14.917","0.001","10.099","0.001","16.199","0.001","90","","103.04","0.01","90","","2377.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N5 O6 -","- C24 H25 Cl N5 O6 -","- C96 H100 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0661","0.0454","","","0.1316","0.158","","","","","","0.982","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246096","18.068","0.009","9.615","0.005","16.759","0.008","90","","116.929","0.007","90","","2596","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl N7 O4 -","- C27 H28 Cl N7 O4 -","- C108 H112 Cl4 N28 O16 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1523","0.0728","","","0.1911","0.2466","","","","","","1.274","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246097","10.4","0.001","11.282","0.001","11.611","0.001","103.39","0.02","108.85","0.02","106.42","0.02","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cl N5 O5 -","- C24 H28 Cl N5 O5 -","- C48 H56 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0854","0.0686","","","0.1676","0.1808","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246098","12.954","0.005","10.892","0.004","19.82","0.009","90","","98.09","0.01","90","","2768.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl N5 O6 -","- C29 H30 Cl N5 O6 -","- C116 H120 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1324","0.0557","","","0.1357","0.1999","","","","","","0.96","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246099","10.37099","0.00005","5.98542","0.00003","7.72496","0.00004","90","","116.584","0.0005","90","","428.831","0.004","293","","293","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","K5Eu(MoO4)4","K5Eu(MoO4)4","","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I.","K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques","CrystEngComm","2023","25","5","835","847","10.1039/D2CE01107G","powder diffraction","x-ray","0.65297","synchrotron","","0.0983","0.0927","","0.1293","0.1284","","","","5.32","","","","","","","has coordinates","281425","2023-03-04","18:13:00",""
"7246100","8.278","0.003","13.527","0.004","12.503","0.004","90","","90","","90","","1400","0.8","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.0582","0.032","","","0.0541","0.0605","","","","","","1.027","","","","has coordinates","281448","2023-03-04","18:18:20",""
"7246101","6.3129","0.0003","30.172","0.0012","7.2937","0.0004","90","","90","","90","","1389.25","0.11","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.1015","0.0578","","","0.12","0.1354","","","","","","1.108","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246102","4.1264","0.0006","10.7891","0.0016","31.194","0.004","90","","90","","90","","1388.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.265","0.0966","","","0.1438","0.1874","","","","","","1.006","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246103","8.6693","0.0013","7.9704","0.0006","9.8968","0.0007","90","","105.644","0.009","90","","658.51","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.077","0.0413","","","0.0895","0.1108","","","","","","1.069","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246104","8.5435","0.0009","7.5706","0.0004","9.2993","0.0005","90","","111.2","0.006","90","","560.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0587","0.0366","","","0.0792","0.0883","","","","","","1.092","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246105","8.6626","0.001","7.9208","0.0004","9.782","0.0005","90","","106.599","0.007","90","","643.22","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.064","0.0369","","","0.0814","0.1008","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246106","8.496","0.005","7.51","0.002","9.249","0.003","90","","111.96","0.03","90","","547.3","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0595","0.0377","","","0.0849","0.0985","","","","","","1.139","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246107","8.6512","0.0013","7.8496","0.0006","9.6513","0.0008","90","","107.785","0.009","90","","624.08","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0554","0.0375","","","0.0728","0.082","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246108","8.6567","0.0016","7.8828","0.0007","9.7114","0.0009","90","","107.244","0.011","90","","632.91","0.15","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0599","0.0352","","","0.0783","0.0937","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246109","8.6419","0.001","7.8197","0.0004","9.6036","0.0006","90","","108.174","0.007","90","","616.61","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.058","0.0365","","","0.0849","0.0946","","","","","","1.042","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246110","8.672","0.0006","7.9508","0.0003","9.8213","0.0003","90","","106.235","0.004","90","","650.17","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.033","0.0253","","","0.0612","0.0642","","","","","","1.071","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246111","8.616","0.005","7.706","0.002","9.438","0.003","90","","109.78","0.03","90","","589.7","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0502","0.0348","","","0.071","0.076","","","","","","1.038","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246112","8.6285","0.0009","7.7531","0.0004","9.4944","0.0005","90","","109.104","0.005","90","","600.17","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.029","0.0236","","","0.0592","0.0622","","","","","","1.103","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246113","8.5889","0.0009","7.6517","0.0004","9.3709","0.0005","90","","110.256","0.005","90","","577.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0286","0.0236","","","0.0601","0.0624","","","","","","1.093","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246114","8.526","0.002","7.5312","0.0009","9.2654","0.0012","90","","111.625","0.013","90","","553.07","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0516","0.0333","","","0.0708","0.0797","","","","","","1.106","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246115","8.562","0.002","7.6058","0.0009","9.3306","0.0012","90","","110.868","0.013","90","","567.76","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0616","0.0397","","","0.0841","0.092","","","","","","1.045","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246116","8.574","0.0013","7.6158","0.0005","9.3347","0.0007","90","","110.657","0.007","90","","570.35","0.11","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0308","0.0262","","","0.0634","0.0659","","","","","","1.141","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246117","8.6334","0.0014","7.7827","0.0007","9.5468","0.0009","90","","108.729","0.01","90","","607.49","0.13","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.047","0.0298","","","0.0662","0.072","","","","","","1.067","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246118","8.6185","0.0007","7.7238","0.0003","9.4573","0.0004","90","","109.454","0.004","90","","593.61","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.031","0.0242","","","0.0626","0.0658","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246127","8.1197","0.0006","8.363","0.0006","8.3902","0.0005","94.326","0.005","99.044","0.005","110.439","0.005","521.98","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-(4,6-diamino-1,3,5-triazin-2-yl)pyridin-2(1H)-one methanol solvate","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0555","0.0427","","","0.1127","0.1227","","","","","","1.025","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246128","7.8788","0.0003","8.8064","0.0003","8.8494","0.0003","115.81","0.001","99.266","0.002","97.192","0.002","532.2","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 I N6 O -","- C8 H9 I N6 O -","- C16 H18 I2 N12 O2 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0433","0.0426","","","0.12","0.1217","","","","","","1.143","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246129","8.0907","0.0005","8.6941","0.0005","10.2522","0.0007","72.622","0.003","88.326","0.003","68.746","0.003","638.89","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O3 -","- C11 H16 N6 O3 -","- C22 H32 N12 O6 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0509","0.0437","","","0.1178","0.1256","","","","","","1.051","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246130","9.9536","0.0004","10.7657","0.0004","13.1905","0.0005","80.79","0.002","76.962","0.002","63.772","0.002","1232.3","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N6 O2 -","- C11 H14 N6 O2 -","- C44 H56 N24 O8 -","4","2","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0451","0.0416","","","0.1217","0.1259","","","","","","1.072","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246131","11.8893","0.0001","18.4452","0.0002","12.5023","0.0001","90","","93.4284","0.0004","90","","2736.85","0.04","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 N12 O7 -","- C22 H34 N12 O7 -","- C88 H136 N48 O28 -","4","0.5","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0381","0.0374","","","0.0987","0.0998","","","","","","1.07","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246132","22.3831","0.0005","6.8419","0.0002","20.4027","0.0005","90","","115.981","0.0014","90","","2808.77","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O4 -","- C11 H18 N6 O4 -","- C88 H144 N48 O32 -","8","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0351","0.0337","","","0.0899","0.0916","","","","","","1.035","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246133","8.6213","0.0005","36.7554","0.0016","9.9466","0.0006","90","","113.343","0.007","90","","2893.9","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 O6 -","- C35 H28 N2 O6 -","- C140 H112 N8 O24 -","4","1","","Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine","CrystEngComm","2023","25","6","909","912","10.1039/D2CE01592G","","","0.71073","MoKα","","0.0989","0.0633","","","0.1399","0.1597","","","","","","1.075","","","","has coordinates,has disorder","281447","2023-03-04","18:18:13",""
"7246140","7.908","0.0006","9.8092","0.0005","17.5752","0.0009","86.93","0.004","78.372","0.005","69.784","0.006","1252.89","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O8 -","- C33 H24 O8 -","- C66 H48 O16 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0672","0.0527","","","0.146","0.1547","","","","","","1.059","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246141","27.4335","0.0007","18.9368","0.0006","12.766","0.0005","90","","90","","90","","6632","0.4","100","0.1","100","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H26 Cd2 O11 -","- C33 H26 Cd2 O11 -","- C264 H208 Cd16 O88 -","8","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0889","0.065","","","0.1674","0.1821","","","","","","1.045","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246142","7.794","0.0003","14.7078","0.0006","15.9272","0.0006","67.884","0.004","86.175","0.003","82.86","0.003","1677.93","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 Cd2 O16 -","- C33 H36 Cd2 O16 -","- C66 H72 Cd4 O32 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0588","0.0441","","","0.1019","0.1076","","","","","","1.035","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246143","8.7984","0.0001","16.7929","0.0002","16.479","0.0002","90","","98.082","0.001","90","","2410.6","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br4 -","- C29 H20 Br4 -","- C116 H80 Br16 -","4","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0247","0.0208","","","0.0497","0.0509","","","","","","1.05","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246155","10.493","0.005","15.94","0.005","28.368","0.005","95.591","0.005","94.067","0.005","102.427","0.005","4591","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ca2 N24 O34 S4 -","- C64 H60 Ca2 N24 O34 S4 -","- C128 H120 Ca4 N48 O68 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1151","0.0681","","","0.1798","0.2001","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246156","15.569","0.005","17.153","0.005","19.58","0.005","106.089","0.005","104.52","0.005","103.928","0.005","4585","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ba2 N24 O31 S4 -","- C64 H60 Ba2 N24 O31 S4 -","- C128 H120 Ba4 N48 O62 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.0521","0.0377","","","0.0974","0.1033","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246157","20.282","0.005","15.713","0.005","24.849","0.005","90","0.005","101.101","0.005","90","0.005","7771","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 N24 O22 S2 Sr -","- C52 H51 N24 O22 S2 Sr -","- C208 H204 N96 O88 S8 Sr4 -","4","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1645","0.11","","","0.2208","0.2387","","","","","","1.015","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246180","12.3693","0.0007","13.7755","0.0008","13.7884","0.0008","66.873","0.002","73.72","0.002","84.454","0.002","2073.8","0.2","279","2","279","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","1","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0636","0.057","","","0.1542","0.1596","","","","","","1.07","","","","has coordinates,has disorder","283220","2023-05-05","01:31:40",""
"7246181","13.2416","0.0015","13.5875","0.0017","16.296","0.002","87.365","0.005","74.269","0.004","88.263","0.005","2818.7","0.6","147","2","147","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag Mo12 N8 O46 P -","- C26 H26 Ag Mo12 N8 O46 P -","- C52 H52 Ag2 Mo24 N16 O92 P2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0503","0.0357","","","0.0747","0.0822","","","","","","1.051","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246182","13.2571","0.0005","13.5874","0.0004","16.3513","0.0006","87.088","0.001","74.542","0.001","88.095","0.001","2834.55","0.17","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag N8 O46 P W12 -","- C26 H26 Ag N8 O46 P W12 -","- C52 H52 Ag2 N16 O92 P2 W24 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0558","0.0345","","","0.0622","0.0707","","","","","","1.082","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246183","13.1265","0.0005","13.5756","0.0005","16.1574","0.0007","87.674","0.002","74.37","0.002","87.989","0.002","2769.62","0.19","147","2","147","","","","","","","","","7","P -1","-P 1","2","","triclinic","","- C26 H27 Ag Mo12 N8 O46 Si -","- C26 H26 Ag Mo12 N8 O46 Si -","- C52 H52 Ag2 Mo24 N16 O92 Si2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","x-ray","0.71076","MoKα","","0.0621","0.0435","","","0.1091","0.1235","","","","","","1.059","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246184","17.2241","0.0011","13.6928","0.0007","17.4462","0.0011","90","","97.709","0.002","90","","4077.4","0.4","295","2","295.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H47 N16 Ni2 O52 P W12 -","- C52 H46 N16 Ni2 O52 P W12 -","- C104 H92 N32 Ni4 O104 P2 W24 -","2","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0979","0.0956","","","0.2655","0.2672","","","","","","1.188","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246190","7.9637","0.0002","9.4953","0.0002","17.6571","0.0004","104.23","0.0006","95.441","0.0007","97.9255","0.0007","1270.29","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N8 O7 -","- C23 H28 N8 O7 -","- C46 H56 N16 O14 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.0526","0.045","","","0.1181","0.1261","","","","","","1.028","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246191","8.5911","0.0002","8.6242","0.0002","13.5809","0.0003","105.737","0.0006","90.1053","0.0006","93.157","0.0006","966.89","0.04","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F N6 O5 -","- C18 H21 F N6 O5 -","- C36 H42 F2 N12 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.042","0.0364","","","0.0938","0.0995","","","","","","1.068","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246192","9.0355","0.0006","10.9956","0.0007","11.9267","0.0007","108.007","0.0018","111.568","0.0018","99.678","0.002","993.38","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C40 H48 N8 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.081","0.0492","","","0.1254","0.1476","","","","","","1.042","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246193","11.2418","0.0011","16.0951","0.0015","24.413","0.003","90","","99.814","0.003","90","","4352.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N6 O6 -","- C19 H26 N6 O6 -","- C152 H208 N48 O48 -","8","2","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.095","0.0612","","","0.1595","0.1932","","","","","","1.023","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7246194","9.2745","0.0002","9.8947","0.0002","13.565","0.0002","83.663","0.001","81.113","0.002","72.576","0.002","1170.74","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 O2 S -","- C27 H18 O2 S -","- C54 H36 O4 S2 -","2","1","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1227","0.1249","","","","","","1.093","","","","has coordinates,has disorder","281451","2023-03-04","18:19:11",""
"7246195","8.9516","0.0004","10.6649","0.0005","12.0474","0.0004","81.82","0.003","77.034","0.003","67.133","0.004","1030.78","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 O2 S -","- C28 H20 O2 S -","- C56 H40 O4 S2 -","2","1","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0578","0.0543","","","0.1593","0.1648","","","","","","1.08","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7246196","12.0602","0.0004","8.4487","0.0003","23.7592","0.0008","90","","92.455","0.003","90","","2418.67","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0725","0.0687","","","0.1984","0.2006","","","","","","1.078","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246197","15.2306","0.0002","33.5647","0.0005","9.1666","0.0001","90","","93.316","0.001","90","","4678.22","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C248 H192 O32 -","8","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.071","0.0581","","","0.1544","0.1617","","","","","","1.037","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246198","14.866","0.005","16.411","0.005","17.012","0.005","90","0.005","90","0.005","90","0.005","4150","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 Ni O2 S2 Zn -","- C19 H16 N4 Ni O2 S2 Zn -","- C152 H128 N32 Ni8 O16 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0624","0.0685","","","","","","1.014","","","","has coordinates","281455","2023-03-04","18:20:22",""
"7246199","9.222","0.005","9.277","0.005","13.294","0.005","75.339","0.005","74.263","0.005","72.671","0.005","1026.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","1","0.5","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0525","0.0412","","","0.1092","0.1165","","","","","","1.049","","","","has coordinates","281455","2023-03-04","18:20:32",""
"7246202","19.4327","0.0011","9.488","0.0006","35.303","0.002","90","","90","","90","","6509.1","0.7","294.72","","294.72","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H54 Co2 N8 O15 S2 -","- C64 H54 Co2 N8 O15 S2 -","- C256 H216 Co8 N32 O60 S8 -","4","0.5","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1054","","","0.2906","0.3188","","","","","","1.074","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246203","9.2921","0.0003","13.1111","0.0004","13.6693","0.0005","76.752","0.001","73.666","0.001","80.394","0.001","1546.2","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 N4 Ni O10 S -","- C32 H30 N4 Ni O10 S -","- C64 H60 N8 Ni2 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0342","0.0286","","","0.0747","0.0777","","","","","","1.042","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246204","9.2776","0.0003","13.4671","0.0005","13.8215","0.0005","75.836","0.001","75.089","0.001","79.265","0.001","1603.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cd N4 O10 S -","- C32 H30 Cd N4 O10 S -","- C64 H60 Cd2 N8 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.043","","","0.0754","0.0833","","","","","","1.146","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246205","13.0347","0.0006","15.9789","0.0008","16.0282","0.0007","70.535","0.001","79.28","0.001","87.925","0.001","3091.4","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27.75 N4 O8 S Zn -","- C32 H27 N4 O7.75 S Zn -","- C128 H108 N16 O31 S4 Zn4 -","4","2","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0979","0.0462","","","0.0953","0.1131","","","","","","1.005","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246219","3.958","0.0002","18.2868","0.0008","20.5693","0.0008","90","","90","","90","","1488.79","0.12","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng","Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI","CrystEngComm","2023","25","8","1313","1318","10.1039/D2CE01299E","","","1.54178","CuKα","","0.0516","0.0432","","","0.0967","0.1045","","","","","","1.099","","","","has coordinates","281410","2023-03-04","18:08:58",""
"7246220","19.0475","0.0014","7.487","0.0005","7.5538","0.0005","90","","96.033","0.006","90","","1071.27","0.13","292.97","0.1","292.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.1095","0.0959","","","0.271","0.2856","","","","","","1.149","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246221","5.3186","0.0004","5.3186","0.0004","40.261","0.008","90","","90","","90","","1138.9","0.3","403.02","0.1","403.02","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0525","0.0483","","","0.1316","0.1353","","","","","","1.138","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246222","5.3091","0.0001","5.3091","0.0001","39.5281","0.0018","90","","90","","90","","1114.16","0.06","403","0.1","403.15","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 N2 -","- C16 Cd Cl4 N2 -","- C32 Cd2 Cl8 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.0331","0.0313","","","0.0836","0.0842","","","","","","1.116","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246223","20.0721","0.0017","7.3523","0.0006","7.4427","0.0005","90","","94.274","0.007","90","","1095.31","0.15","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cd Cl4 F2 N2 -","- C16 H22 Cd Cl4 F2 N2 -","- C32 H44 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0514","0.0419","","","0.1071","0.1133","","","","","","0.993","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246224","5.2977","0.0002","5.2977","0.0002","40.592","0.003","90","","90","","90","","1139.24","0.1","408.01","0.1","408.15","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.051","0.0505","","","0.1354","0.1362","","","","","","1.27","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246225","7.3756","0.0005","7.4398","0.0005","38.942","0.002","90","","90","","90","","2136.9","0.2","293.01","0.1","293.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.075","0.0543","","","0.1294","0.1406","","","","","","1.108","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246227","17.7039","0.0011","19.5216","0.0012","5.51938","0.00027","90","","91.1706","0.0027","90","","1907.15","0.19","","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fenbendazole - Maleic acid","","- C19 H17 N3 O6 S -","- C19 H17 N3 O6 S -","- C76 H68 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.246","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246228","26.15106","0.0009","5.62505","0.00016","16.88572","0.0004","90","","46.3627","0.0019","90","","1797.66","0.11","","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Fenbendazole - Oxalic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C68 H60 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.5","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246238","14.2119","0.0004","9.8544","0.0003","14.989","0.0004","90","","104.136","0.001","90","","2035.64","0.1","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 N2 O5 Zn -","- C20 H12 N2 O5 Zn -","- C80 H48 N8 O20 Zn4 -","4","1","","Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata","A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT","CrystEngComm","2023","25","11","1626","1636","10.1039/D2CE01600A","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","282328","2023-04-04","10:13:32",""
"7246239","13.635","0.018","21.87","0.02","17.252","0.018","90","","111.89","0.05","90","","4774","9","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Fe2 N6 O12 -","- C12 H12 Fe2 N6 O12 -","- C48 H48 Fe8 N24 O48 -","4","0.5","","Tang, Wenlei; Shao, Zhen-Wu; Xiong, Li; Zhang, Zhiyuan; Tan, Kaiyuan; Feng, Xuan; Wu, Wenjing; Liu, Chong","A siderophore-inspired two-dimensional Fe–hydroxamate metal–organic framework","CrystEngComm","2023","25","10","1462","1466","10.1039/D3CE00022B","","x-ray","1.34139","GaKα","","0.1491","0.0922","","","0.282","0.3227","","","","","","0.965","","","","has coordinates,has disorder","282315","2023-04-04","10:08:32",""
"7246240","17.628","0.002","5.4719","0.0007","21.601","0.003","90","","96.194","0.002","90","","2071.4","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H23 Cl2 N O6 -","- C21 H23 Cl2 N O6 -","- C84 H92 Cl8 N4 O24 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","0.71073","MoKα","","0.0449","0.0407","","","0.0885","0.0912","","","","","","1.068","","","","has coordinates,has disorder","282327","2023-04-04","10:13:22",""
"7246241","7.1781","0.0003","7.832","0.0003","41.7968","0.0016","90","","90","","90","","2349.77","0.16","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl2 N O8 -","- C21 H27 Cl2 N O8 -","- C84 H108 Cl8 N4 O32 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","1.54178","CuKα","","0.0718","0.0597","","","0.1636","0.1764","","","","","","1.039","","","","has coordinates","282327","2023-04-04","10:13:25",""
"7246242","13.356","0.012","13.382","0.012","14.538","0.013","77.483","0.013","75.916","0.013","76.218","0.014","2413","4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.278","0.1078","","","0.1854","0.2082","","","","","","0.947","","","","has coordinates,has disorder","282333","2023-04-04","10:15:23",""
"7246243","12.986","0.006","13","0.007","13.638","0.007","78.032","0.008","78.169","0.007","80.196","0.007","2184.7","1.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.2405","0.1034","","","0.2081","0.2376","","","","","","1.047","","","","has coordinates,has disorder","282333","2023-04-04","10:15:28",""
"7246244","26.17","0.005","26.17","0.005","43.516","0.014","90","","90","","90","","29803","13","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O78 S24 -","- C312 H288 Mg24 O78 S24 -","- C624 H576 Mg48 O156 S48 -","2","0.125","","Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan","A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium","CrystEngComm","2023","25","10","1495","1500","10.1039/D2CE01508K","","","0.71073","MoKα","","0.0916","0.0752","","","0.2404","0.2535","","","","","","1.138","","","","has coordinates","282318","2023-04-04","10:09:20",""
"7246245","37.5848","0.0003","37.5848","0.0003","37.5848","0.0003","90","","90","","90","","53092.9","0.7","200.01","0.1","200.01","0.1","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C480 H192 B48 Fe24 N144 O272 Zr24 -","4","0.0208333","","Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K.","Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands","CrystEngComm","2023","25","10","1550","1555","10.1039/D2CE01686A","","x-ray","1.54184","CuKα","","0.0879","0.0793","","","0.2163","0.2257","","","","","","1.058","","","","has coordinates,has disorder","282313","2023-04-04","10:08:07",""
"7246246","7.284","0.0013","8.5719","0.0013","13.363","0.002","93.005","0.013","102.411","0.013","92.991","0.013","812","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","phenanthridin-6(5<i>H</i>)-one – perfluorobenzoic acid","","- C20 H10 F5 N O3 -","- C20 H10 F5 N O3 -","- C40 H20 F10 N2 O6 -","2","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0704","0.0633","","","0.1813","0.1907","","","","","","1.057","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246247","5.6381","0.001","8.0585","0.0014","23.653","0.004","90","","95.658","0.014","90","","1069.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyridin-2(1<i>H</i>)-one – perfluorophenol","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C44 H24 F20 N4 O8 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0667","0.0526","","","0.1418","0.1522","","","","","","1.085","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246248","7.9484","0.0009","7.1832","0.0005","26.471","0.003","90","","93.279","0.009","90","","1508.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C18 H8 F5 N O3 -","- C18 H8 F5 N O3 -","- C72 H32 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.052","0.0455","","","0.13","0.1396","","","","","","1.089","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246249","13.275","0.002","5.3902","0.0005","16.953","0.002","90","","102.829","0.011","90","","1182.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridin-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C12 H6 F5 N O3 -","- C12 H6 F5 N O3 -","- C48 H24 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.039","0.0355","","","0.0989","0.1025","","","","","","1.047","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246250","8.615","0.0008","15.9915","0.0014","9.1239","0.0008","90","","103.072","0.008","90","","1224.4","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenanthridin-6(5<i>H</i>)-one – perfluorophenol","","- C32 H18.67 F5 N2 O3 -","- C32 H18.666 F5 N2 O3 -","- C64 H37.332 F10 N4 O6 -","2","0.5","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0648","0.0577","","","0.1625","0.1679","","","","","","1.056","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246251","9.0463","0.0009","11.6765","0.0012","13.7306","0.0014","98.454","0.008","97.155","0.008","100.557","0.008","1393.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorophenol","","- C17 H8 F5 N O2 -","- C17 H8 F5 N O2 -","- C68 H32 F20 N4 O8 -","4","2","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0758","0.0659","","","0.177","0.1837","","","","","","1.086","","","","has coordinates,has disorder","281456","2023-03-04","18:20:50",""
"7246252","13.392","0.0012","10.6012","0.0012","14.1313","0.0013","90","","101.079","0.009","90","","1968.8","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.047","0.0308","","","0.0675","0.0751","","","","","","1.046","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246253","5.4453","0.0006","7.8772","0.0006","11.0644","0.0009","71.14","0.007","86.893","0.008","79.296","0.008","441.29","0.07","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C18 Br2 F12 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0377","0.0326","","","0.0818","0.0865","","","","","","1.093","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246254","7.7805","0.0005","12.9312","0.0008","19.6717","0.0014","90","","94.599","0.007","90","","1972.8","0.2","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0466","0.033","","","0.0756","0.0822","","","","","","1.021","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246255","21.3852","0.0016","20.391","0.002","7.5673","0.0006","90","","94.255","0.007","90","","3290.7","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I0.9998 N3 -","- C108 H72 Br16 F40 I3.9992 N12 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0573","0.0459","","","0.1231","0.1355","","","","","","1.026","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246256","7.8665","0.0002","20.2579","0.0003","22.278","0.0004","90","","90","","90","","3550.19","0.12","170","2","169.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C144 Br16 F96 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0523","0.0471","","","0.1051","0.1074","","","","","","1.188","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246257","20.3907","0.0004","7.6801","0.0001","42.938","0.001","90","","90","","90","","6724.2","0.2","170","2","169.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I N3 -","- C216 H144 Br32 F80 I8 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0501","0.0442","","","0.1022","0.1051","","","","","","1.145","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246258","16.7507","0.0002","20.1161","0.0003","23.6396","0.0003","90","","94.595","0.001","90","","7939.97","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N5 O7 Zn1.5 -","- C45 H34 N5 O7 Zn1.5 -","- C360 H272 N40 O56 Zn12 -","8","1","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0647","0.0445","","","0.1063","0.1165","","","","","","1.063","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246259","26.6374","0.0006","9.7433","0.0002","29.7932","0.0007","90","","90.922","0.002","90","","7731.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H48 Cd3 N10 O12 -","- C90 H64 Cd3 N10 O12 -","- C360 H256 Cd12 N40 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0545","0.0363","","","0.0771","0.0887","","","","","","1.054","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246260","27.0745","0.0005","9.7503","0.0002","29.6517","0.0005","90","","91.899","0.002","90","","7823.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H68 Cd3 N6 O12 -","- C94 H68 Cd3 N6 O12 -","- C376 H272 Cd12 N24 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.0658","0.0739","","","","","","1.049","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246261","38.9381","0.0007","9.4374","0.0001","29.5532","0.0005","90","","132.196","0.003","90","","8045.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H82 Cd3 N8 O15 -","- C88 H80 Cd3 N8 O14 -","- C352 H320 Cd12 N32 O56 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","1.54184","CuKα","","0.0279","0.0262","","","0.0705","0.0718","","","","","","1.059","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246262","10.7028","0.0007","11.989","0.0008","13.1876","0.0009","89.083","0.002","72.765","0.002","75.181","0.002","1559.16","0.18","173.11","","173.11","","","","","","","","","5","P -1","-P 1","2","","MSU10","","- C27 H32 La N6 O10 -","- C27 H32 La N6 O10 -","- C54 H64 La2 N12 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","","0.71073","MoKα","","0.0387","0.031","","","0.0669","0.0695","","","","","","1.053","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246263","10.059","0.0002","11.1837","0.0004","13.6668","0.0003","68.67","0.002","86.13","0.002","74.59","0.002","1379.94","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 La N5 O10 -","- C24 H27 La N5 O10 -","- C48 H54 La2 N10 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","x-ray","1.54184","CuKα","","0.0289","0.0264","","","0.0651","0.066","","","","","","1.078","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246264","25.081","0.003","14.4962","0.0014","14.7769","0.0014","90","","101.766","0.002","90","","5259.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H61 Cl3 N20 O24 -","- C30 H30 Cl3 N20 O17 -","- C120 H120 Cl12 N80 O68 -","4","0.5","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0799","0.0648","","","0.1898","0.2096","","","","","","1.023","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246265","12.7096","0.0003","15.9515","0.0004","27.0718","0.0007","90","","96.41","0.001","90","","5454.1","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N20 O29 S2 -","- C40 H38 N20 O28 S2 -","- C160 H152 N80 O112 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","1.34139","GaKα","","0.0739","0.0522","","","0.1116","0.1183","","","","","","1.068","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246266","12.469","0.005","15.956","0.005","27.061","0.005","90","","95.919","0.005","90","","5355","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N20 Na2 O25 S2 -","- C40 H36 N20 Na2 O18 S2 -","- C160 H144 N80 Na8 O72 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71069","MoKα","","0.1118","0.0593","","","0.1111","0.1292","","","","","","1.097","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246267","12.449","0.005","16.143","0.005","26.916","0.005","90","0.005","95.226","0.005","90","0.005","5387","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N20 O24 Rb2 S2 -","- C40 H36 N20 O20 Rb2 S2 -","- C160 H144 N80 O80 Rb8 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1007","0.0802","","","0.1904","0.2034","","","","","","1.025","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246268","12.681","0.005","16.214","0.005","27.109","0.005","90","0.005","96.033","0.005","90","0.005","5543","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cs K N20 O24 S2 -","- C40 H36 Cs K N20 O20 S2 -","- C160 H144 Cs4 K4 N80 O80 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1231","0.0978","","","0.2363","0.2549","","","","","","1.069","","","","has coordinates,has disorder","282319","2023-04-04","10:09:45",""
"7246269","12.274","0.005","16.173","0.005","27.018","0.005","90","","94.661","0.005","90","","5346","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 K2 N20 O23 S2 -","- C40 H36 K2 N20 O19 S2 -","- C160 H144 K8 N80 O76 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0842","0.0633","","","0.1855","0.2082","","","","","","1","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246270","17.287","0.0006","15.6308","0.0005","17.7593","0.0006","90","","90","","90","","4798.7","0.3","300.8","0.1","300.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0985","0.0557","","","0.1537","0.1751","","","","","","1.069","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246271","17.1067","0.0007","15.3661","0.0007","17.6923","0.0008","90","","90","","90","","4650.7","0.4","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0683","0.0477","","","0.099","0.1089","","","","","","1.028","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246272","15.673","0.0017","10.8757","0.0009","14.278","0.0015","90","","90","","90","","2433.8","0.4","365.01","0.11","365.01","0.11","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11.002 -","- C76 H152 Cl4 N4 O44.008 -","4","0.5","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.3081","0.2497","","","0.623","0.659","","","","","","2.479","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246273","17.3155","0.0008","15.6324","0.0009","17.8689","0.0009","90","","90","","90","","4836.8","0.4","300","0.1","300","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0945","0.0579","","","0.149","0.1759","","","","","","1.025","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246274","17.1801","0.0004","15.4816","0.0005","17.8001","0.0005","90","","90","","90","","4734.4","0.2","200.04","0.1","200.04","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0487","0.0383","","","0.0933","0.0986","","","","","","1.049","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246275","17.346","0.0016","15.8138","0.0015","17.761","0.002","90","","90","","90","","4872","0.8","350","","350.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","","0.71073","MoKα","","0.3809","0.1034","","","0.2335","0.3176","","","","","","0.842","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246276","5.2615","0.0002","25.2098","0.0009","16.6111","0.0006","90","","91.994","0.003","90","","2201.98","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N6 O11.5 S2 -","- C41.5 H54 N6 O11.5 S2 -","- C83 H108 N12 O23 S4 -","2","1","","Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J.","A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate","CrystEngComm","2023","25","12","1782","1791","10.1039/D2CE01612E","","x-ray","1.54184","CuKα","","0.0612","0.0513","","","0.1248","0.1313","","","","","","1.024","","","","has coordinates,has disorder","282335","2023-04-04","10:16:21",""
"7246277","17.323","0.002","12.978","0.0015","18.983","0.002","90","","105.428","0.006","90","","4113.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O9 -","- C47 H46 N4 O9 -","- C188 H184 N16 O36 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0496","0.0395","","","0.0977","0.1034","","","","","","1.035","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246278","15.5518","0.0011","18.9095","0.0014","16.7038","0.0012","90","","108.49","0.002","90","","4658.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl4 N4 O8 -","- C54 H48 Cl4 N4 O8 -","- C216 H192 Cl16 N16 O32 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0355","0.0344","","","0.0936","0.0945","","","","","","1.031","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246279","14.9566","0.0014","14.9948","0.0014","16.2793","0.0015","64.136","0.003","79.706","0.003","76.944","0.003","3186.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H84 N4 O13 -","- C77 H84 N4 O13 -","- C154 H168 N8 O26 -","2","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0504","0.0472","","","0.1182","0.1209","","","","","","1.022","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246280","25.162","0.004","13.623","0.002","14.286","0.002","90","","90","","90","","4897","1.3","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C51.3 H50.4 Cl2 N4 O12.2 -","- C51.3 H50.4 Cl2 N4 O12.2 -","- C205.2 H201.6 Cl8 N16 O48.8 -","4","0.25","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.1376","0.1359","","","0.4382","0.4501","","","","","","2.492","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246281","28.327","0.003","14.6276","0.0017","30.858","0.004","90","","93.076","0.007","90","","12768","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 N4 O14 -","- C74 H88 N4 O14 -","- C592 H704 N32 O112 -","8","2","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0813","0.0728","","","0.165","0.1688","","","","","","1.201","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246282","4.9739","0.0003","8.6018","0.0005","6.952","0.0005","90","","110.177","0.003","90","","279.18","0.03","289","2","289","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O6 Se2 Zr -","- O6 Se2 Zr -","- O12 Se4 Zr2 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0395","0.0354","","","0.0869","0.0883","","","","","","1.059","","","","has coordinates","282331","2023-04-04","10:14:46",""
"7246283","11.285","0.003","11.285","","11.285","","90","","90","","90","","1437.2","0.4","273","2","273","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0198","0.0182","","","0.0475","0.0481","","","","","","1.206","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246284","4.9425","0.0002","8.5794","0.0003","6.9325","0.0002","90","","110.1","0.001","90","","276.059","0.017","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Hf O6 Se2 -","- Hf O6 Se2 -","- Hf2 O12 Se4 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0273","0.0263","","","0.069","0.07","","","","","","1.115","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246285","9.7448","0.0003","11.2596","0.0003","14.0846","0.0004","68.021","0.003","84.398","0.002","66.219","0.003","1308.81","0.08","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cd N4 O8 -","- C22 H31 Cd N4 O8 -","- C44 H62 Cd2 N8 O16 -","2","1","","Huang, Mengyi; Liang, Zhenxin; Huang, Jinling; Zhang, Shuyu; Wen, Yuehong; Wu, Xintao","Dimensional expansion of 1D zigzag chains to a 2D two-fold interpenetrated metal–organic framework for adsorption of lanthanide cations and white light emission","CrystEngComm","2023","25","11","1637","1642","10.1039/D3CE00001J","","x-ray","1.3405","GaKα","","0.0474","0.0432","","","0.1149","0.1178","","","","","","1.053","","","","has coordinates","282329","2023-04-04","10:13:40",""
"7246304","6.7843","0.0003","8.3585","0.0003","15.1607","0.0007","97.295","0.003","93.314","0.004","111.978","0.004","785.58","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Br N O -","- C17 H22 Br N O -","- C34 H44 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.046","0.0367","","","0.0832","0.089","","","","","","1.076","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246305","8.7375","0.0003","9.2799","0.0004","10.6024","0.0007","106.226","0.005","98.182","0.004","100.729","0.004","793.61","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C30 H34 I4 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71071","MoKα","","0.0355","0.0242","","","0.0429","0.0489","","","","","","1.087","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246306","7.8428","0.0003","8.7456","0.0004","11.7685","0.0006","81.274","0.004","82.709","0.004","72.451","0.004","757.9","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl I N O -","- C15 H17 Cl I N O -","- C30 H34 Cl2 I2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71071","MoKα","","0.028","0.0235","","","0.0434","0.0456","","","","","","1.041","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246307","4.63873","0.00014","56.6665","0.0012","8.4248","0.0002","90","","95.637","0.002","90","","2203.84","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Br3 N O -","- C21 H30 Br3 N O -","- C84 H120 Br12 N4 O4 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0742","0.0586","","","0.096","0.1021","","","","","","1.191","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246308","6.7554","0.0003","8.4116","0.0003","16.8284","0.0007","97.564","0.003","96.503","0.004","110.294","0.004","876.01","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Br N O -","- C19 H26 Br N O -","- C38 H52 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0453","0.0353","","","0.0728","0.0773","","","","","","1.051","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246309","10.0323","0.0004","11.3017","0.0004","15.5236","0.0005","106.418","0.003","94.206","0.003","113.861","0.004","1508.28","0.12","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Br I N O -","- C15 H17 Br I N O -","- C60 H68 Br4 I4 N4 O4 -","4","2","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71073","MoKα","","0.0395","0.0285","","","0.048","0.0517","","","","","","1.045","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246310","6.6716","0.0003","8.3651","0.0004","13.0803","0.0006","86.724","0.004","86.237","0.004","70.833","0.004","687.55","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C30 H36 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0458","0.0373","","","0.0735","0.0779","","","","","","1.063","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246311","28.1904","0.0012","9.1296","0.0002","17.0705","0.0006","90","","98.313","0.004","90","","4347.2","0.3","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Br3 N2 O2 -","- C46 H67 Br3 N2 O2 -","- C184 H268 Br12 N8 O8 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0715","0.0393","","","0.0798","0.0919","","","","","","1.053","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246312","6.7504","0.0003","8.3652","0.0004","20.1363","0.001","81.71","0.004","86.632","0.004","70.675","0.004","1061.71","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 Br N O -","- C23 H34 Br N O -","- C46 H68 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0439","0.0351","","","0.0744","0.0787","","","","","","1.06","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246315","4.7442","0.0002","31.8938","0.001","15.627","0.0006","90","","95.026","0.003","90","","2355.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N6 O14 S6 Zn3 -","- C48 H28 N6 O14 S6 Zn3 -","- C96 H56 N12 O28 S12 Zn6 -","2","0.5","","Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun","A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution","CrystEngComm","2023","25","13","1965","1975","10.1039/D2CE01684B","","","0.71073","MoKα","","0.0765","0.0647","","","0.1564","0.1643","","","","","","1.031","","","","has coordinates,has disorder","282325","2023-04-04","10:12:50",""
"7246316","7.6655","0.0001","8.5036","0.0002","9.2148","0.0002","87.7032","0.0012","71.3451","0.001","84.9971","0.0012","566.89","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co N2 O6 -","- C12 H10 Co N2 O6 -","- C24 H20 Co2 N4 O12 -","2","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0417","0.0309","","","0.0638","0.0676","","","","","","1.023","","","","has coordinates","281080","2023-02-22","08:38:53",""
"7246317","7.3291","0.0002","26.4128","0.0006","19.8928","0.0004","90","","92.0679","0.0013","90","","3848.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Co3 N4 O16 -","- C37 H37 Co3 N4 O16 -","- C148 H148 Co12 N16 O64 -","4","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.11","0.0708","","","0.1636","0.1835","","","","","","1.042","","","","has coordinates,has disorder","281080","2023-02-22","08:38:58",""
"7246318","18.6212","0.0002","15.979","0.0002","17.1168","0.0002","90","","113.206","0.0005","90","","4681","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Co N4 O8 -","- C23 H27 Co N4 O8 -","- C184 H216 Co8 N32 O64 -","8","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0345","0.0281","","","0.0752","0.0792","","","","","","1.031","","","","has coordinates","281080","2023-02-22","08:38:59",""
"7246319","18.0308","0.0012","8.2801","0.0006","19.332","0.0013","90","","105.499","0.0017","90","","2781.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Co N6 O11 -","- C26 H30 Co N6 O11 -","- C104 H120 Co4 N24 O44 -","4","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.059","0.0388","","","0.0932","0.1024","","","","","","1.02","","","","has coordinates","281080","2023-02-22","08:43:10",""
"7246320","9.0051","0.0007","9.514","0.0007","12.5164","0.001","90.61","0.003","99.38","0.003","109.122","0.003","997.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Co N4 O8 -","- C19 H19 Co N4 O8 -","- C38 H38 Co2 N8 O16 -","2","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0273","0.0247","","","0.0626","0.064","","","","","","1.034","","","","has coordinates","281080","2023-02-22","08:43:39",""
"7246323","13.296","0.002","18.408","0.004","3.7815","0.0011","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.141","0.0724","","","0.1198","0.1597","","","","","","1.057","","","","has coordinates","282322","2023-04-04","10:11:06",""
"7246324","6.983","0.004","8.788","0.005","10.103","0.006","98.26","0.02","94.33","0.02","93.17","0.02","610.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C24 H22 N6 O12 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.124","0.0564","","","0.1194","0.1428","","","","","","1.035","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246325","7.4117","0.0008","14.0189","0.0013","10.6336","0.001","90","","98.59","0.009","90","","1092.48","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N5 O8 -","- C24 H19 N5 O8 -","- C48 H38 N10 O16 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.053","0.0429","","","0.1045","0.1142","","","","","","1.086","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246326","7.307","0.0006","9.3649","0.0007","14.6557","0.001","81.676","0.003","80.506","0.003","69.46","0.003","922.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","2","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0611","0.0447","","","0.129","0.1418","","","","","","1.063","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246327","7.5784","0.0005","11.6201","0.0008","13.5062","0.0009","77.55","0.002","84.286","0.002","76.406","0.002","1127.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.43 H2.29 Cu0.07 N0.71 O -","- C3.42857 H2.28571 Cu0.0714286 N0.714286 O -","- C48 H32 Cu N10 O14 -","14","7","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0692","0.0613","","","0.1731","0.183","","","","","","1.05","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246328","13.2629","0.0007","14.3481","0.0008","16.6357","0.001","96.631","0.005","104.242","0.005","116.913","0.005","2640.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cd N12 O16 -","- C60 H40 Cd N12 O16 -","- C120 H80 Cd2 N24 O32 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.1098","0.0661","","","0.1457","0.1784","","","","","","1.023","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246329","21.5133","0.0014","4.9621","0.0004","24.1452","0.0016","90","","95.496","0.006","90","","2565.7","0.3","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","ARB","arbutin","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","4","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1431","0.059","","","0.113","0.1558","","","","","","0.984","","","","has coordinates","283210","2023-05-05","01:24:53",""
"7246330","6.3532","0.0004","21.0244","0.0012","22.6649","0.0018","90","","90","","90","","3027.4","0.4","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin DMA solvent compound; solvate S4","Arbutin DMA solvate","","- C14 H20.5 N0.5 O7.5 -","- C14 H20.5 N0.5 O7.5 -","- C112 H164 N4 O60 -","8","2","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1042","0.0646","","","0.1134","0.1346","","","","","","1.032","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7246331","8.5631","0.0003","8.5283","0.0003","15.1997","0.0005","90","","104.747","0.003","90","","1073.45","0.07","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Arbutin DMF solvent compound; solvate S1","Arbutin DMF solvate","","- C18 H30 N2 O9 -","- C18 H30 N2 O9 -","- C36 H60 N4 O18 -","2","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0431","0.0384","","","0.0913","0.0959","","","","","","1.038","","","","has coordinates","283210","2023-05-05","01:25:09",""
"7246332","6.3606","0.0003","20.5593","0.0009","23.4018","0.0009","90","","90","","90","","3060.2","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin NMP solvent compound;solvate S5","Arbutin NMP solvate","","- C29 H41 N O15 -","- C29 H41 N O15 -","- C116 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0991","0.0615","","","0.1049","0.1239","","","","","","1.04","","","","has coordinates,has disorder","283210","2023-05-05","01:25:21",""
"7246333","15.7345","0.0004","16.732","0.0004","17.2068","0.0006","83.659","0.002","66.309","0.003","89.939","0.002","4118.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0875","0.0474","","","0.1199","0.146","","","","","","1.023","","","","has coordinates,has disorder","282330","2023-04-04","10:14:09",""
"7246334","15.2841","0.0007","15.8379","0.0005","16.1254","0.0006","119.36","0.004","99.503","0.004","106.205","0.004","3046.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","x-ray","0.71073","MoKα","","0.0879","0.0566","","","0.166","0.1826","","","","","","1.055","","","","has coordinates,has disorder","282330","2023-04-04","10:14:14",""
"7246335","15.0565","0.0008","15.5845","0.0007","16.1779","0.0007","64.8","0.004","66.955","0.005","75.967","0.004","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0692","0.0422","","","0.1072","0.1242","","","","","","1.021","","","","has coordinates,has disorder","282330","2023-04-04","10:14:25",""
"7246336","13.1367","0.001","16.9074","0.0011","17.9372","0.0012","107.392","0.006","107.891","0.006","95.423","0.006","3541","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.1707","0.0881","","","0.2158","0.268","","","","","","0.937","","","","has coordinates,has disorder","282330","2023-04-04","10:14:31",""
"7246337","14.133","0.003","24.331","0.004","14.139","0.002","90","","119.109","0.004","90","","4247.9","1.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","1","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","0.71073","MoKα","","0.1274","0.0881","","","0.2322","0.2681","","","","","","1.07","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246338","24.2819","0.0011","24.2419","0.0011","28.6093","0.0013","90","","90","","90","","16840.6","1.3","170","2","170","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46 H24 N8 O17 Zn4 -","- C46 H24 N8 O17 Zn4 -","- C368 H192 N64 O136 Zn32 -","8","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","1.54184","CuKα","","0.1717","0.1169","","","0.3209","0.3513","","","","","","0.976","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246339","7.7223","0.0001","8.3116","0.0002","15.3112","0.0003","90","","101.017","0.002","90","","964.63","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0904","0.0922","","","","","","1.114","","","","has coordinates","282324","2023-04-04","10:12:02",""
"7246340","15.2078","0.0007","8.0042","0.0004","16.6991","0.0008","90","","91.133","0.004","90","","2032.32","0.17","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Co N2 O2 -","- C18 H16 Cl4 Co N2 O2 -","- C72 H64 Cl16 Co4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0309","0.0241","","","0.0557","0.058","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:13",""
"7246341","7.7734","0.0004","8.0302","0.0004","15.1465","0.0008","90","","99.036","0.005","90","","933.74","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.06","0.0557","","","0.1378","0.1403","","","","","","1.073","","","","has coordinates","282324","2023-04-04","10:12:24",""
"7246342","15.7785","0.0006","8.5996","0.0003","16.6373","0.0007","90","","92.28","0.004","90","","2255.71","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cd N2 O2 -","- C18 H16 Br4 Cd N2 O2 -","- C72 H64 Br16 Cd4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0225","0.0173","","","0.0381","0.0394","","","","","","1.029","","","","has coordinates","282324","2023-04-04","10:12:27",""
"7246343","13.7376","0.0004","4.3663","0.0002","22.527","0.0008","90","","95.846","0.003","90","","1344.2","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl3 Hg N O3 -","- C9 H12 Cl3 Hg N O3 -","- C36 H48 Cl12 Hg4 N4 O12 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0159","0.0144","","","0.0338","0.0342","","","","","","1.046","","","","has coordinates","282324","2023-04-04","10:12:31",""
"7246344","8.3593","0.0001","13.0386","0.0002","18.9457","0.0003","76.385","0.001","83.619","0.001","84.652","0.001","1989.69","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Bi Cl7 N4 O6 -","- C36 H36 Bi Cl7 N4 O6 -","- C72 H72 Bi2 Cl14 N8 O12 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.014","0.0132","","","0.0327","0.0329","","","","","","1.065","","","","has coordinates","282324","2023-04-04","10:12:33",""
"7246345","7.4707","0.0002","10.1801","0.0002","14.1377","0.0004","86.275","0.002","86.472","0.002","84.89","0.002","1066.99","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl5 Fe N2 O2 -","- C18 H16 Cl5 Fe N2 O2 -","- C36 H32 Cl10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0253","0.0247","","","0.0627","0.063","","","","","","1.069","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246346","7.6819","0.0001","10.4227","0.0002","14.418","0.0003","86.456","0.002","85.113","0.002","85.066","0.002","1144.21","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br5 Fe N2 O2 -","- C18 H16 Br5 Fe N2 O2 -","- C36 H32 Br10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0175","0.0159","","","0.0381","0.0387","","","","","","1.041","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246347","17.0128","0.0006","7.1435","0.0002","17.1911","0.0007","90","","90.158","0.003","90","","2089.24","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Co N2 O2 -","- C18 H16 Br4 Co N2 O2 -","- C72 H64 Br16 Co4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.1064","0.0805","","","0.2159","0.2344","","","","","","1.097","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246348","17.0829","0.0008","7.2297","0.0003","17.2934","0.0008","90","","90.388","0.004","90","","2135.76","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Hg N2 O2 -","- C18 H16 Br4 Hg N2 O2 -","- C72 H64 Br16 Hg4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0458","0.0361","","","0.0861","0.0901","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246349","7.2163","0.0003","9.5228","0.0004","9.5411","0.0004","83.177","0.003","71.049","0.004","79.945","0.003","609.24","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","1","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.1162","0.1179","","","","","","1.108","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246350","4.0631","0.0001","21.2351","0.0007","14.5111","0.0005","90","","97.763","0.004","90","","1240.55","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N O Pb -","- C9 H8 Br3 N O Pb -","- C36 H32 Br12 N4 O4 Pb4 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0135","0.0118","","","0.0273","0.0277","","","","","","1.038","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246351","15.2852","0.0002","8.2556","0.0001","16.5412","0.0002","90","","91.317","0.001","90","","2086.76","0.04","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Hg N2 O2 -","- C18 H16 Cl4 Hg N2 O2 -","- C72 H64 Cl16 Hg4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0082","0.0082","","","0.0215","0.0215","","","","","","1.12","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246352","15.2834","0.0006","8.2421","0.0004","16.5244","0.0007","90","","91.322","0.004","90","","2080.98","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cd Cl4 N2 O2 -","- C18 H16 Cd Cl4 N2 O2 -","- C72 H64 Cd4 Cl16 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0231","0.0184","","","0.0397","0.041","","","","","","1.031","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246356","7.9627","0.0009","9.0418","0.0009","9.2723","0.0009","68.798","0.009","76.506","0.009","83.945","0.009","605.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N2 O -","- C13 H15 N2 O -","- C26 H30 N4 O2 -","2","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0428","0.0406","","","0.1132","0.1158","","","","","","1.026","","","","has coordinates","284268","2023-06-05","04:26:03",""
"7246357","8.0063","0.0009","24.063","0.003","20.759","0.002","90","","96.238","0.002","90","","3975.7","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cd N6 O6 -","- C44 H44 Cd N6 O6 -","- C176 H176 Cd4 N24 O24 -","4","0.5","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0305","0.0247","","","0.0621","0.066","","","","","","1.036","","","","has coordinates","284268","2023-06-05","04:26:13",""
"7246358","21.516","0.003","6.3257","0.0008","20.465","0.003","90","","117.404","0.002","90","","2472.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cd N4 O6.5 -","- C23 H26 Cd N4 O6.5 -","- C92 H104 Cd4 N16 O26 -","4","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0385","0.0272","","","0.0677","0.0748","","","","","","1.036","","","","has coordinates,has disorder","284268","2023-06-05","04:26:16",""
"7246359","14.371","0.0002","19.0998","0.0002","23.8664","0.0002","90","","90","","90","","6550.93","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H34 N6 O5 Zn -","- C35 H34 N6 O5 Zn -","- C280 H272 N48 O40 Zn8 -","8","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0558","0.0497","","","0.1412","0.1464","","","","","","1.038","","","","has coordinates,has disorder","284268","2023-06-05","04:26:29",""
"7246360","28.8765","0.0004","23.5183","0.0004","16.9031","0.0002","90","","90","","90","","11479.3","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 Cd N2 O7 -","- C26 H19 Cd N2 O5 -","- C416 H304 Cd16 N32 O80 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0779","0.0758","","","0.2125","0.2161","","","","","","1.079","","","","has coordinates","284268","2023-06-05","04:26:32",""
"7246361","29.0368","0.0003","22.6033","0.0002","16.92391","0.00015","90","","90","","90","","11107.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 N3 O7 Zn -","- C26 H19 N2 O5 Zn -","- C416 H304 N32 O80 Zn16 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0391","0.0351","","","0.1066","0.11","","","","","","1.085","","","","has coordinates","284268","2023-06-05","04:26:42",""
"7246362","7.2581","0.0015","19.176","0.004","7.9267","0.0016","90","","102.24","0.03","90","","1078.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cr2 N8 O10 -","- C18 H14 Cr2 N8 O10 -","- C36 H28 Cr4 N16 O20 -","2","0.5","","Zhou, Shu-Fang; Zhang, Hong-Jie; Zhang, Chen-Xi; Wang, Qing-Lun","A Cr(iii) supramolecular network composite membrane with high water stability and proton conductivity","CrystEngComm","2023","25","13","2003","2010","10.1039/D2CE01610A","","","0.71073","MoKα","","0.091","0.0847","","","0.1656","0.1686","","","","","","1.23","","","","has coordinates","282326","2023-04-04","10:12:58",""
"7246363","14.124","0.0002","9.70051","0.00018","9.5835","0.00016","90","","95.9776","0.0016","90","","1305.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cd N4 O3 -","- C9 H11 Cd N4 O3 -","- C36 H44 Cd4 N16 O12 -","4","1","","Vakil, Farhat; Ahmad, M. Shahwaz; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Ahmad, Musheer","Fabrication of a Cd(ii) metal–organic framework as a dual functional material: efficient iodine capture and selective adsorption of a cationic dye","CrystEngComm","2023","25","15","2280","2297","10.1039/D3CE00048F","","","0.71073","MoKα","","0.0312","0.025","","","0.0654","0.0704","","","","","","1.0476","","","","has coordinates","283218","2023-05-05","01:28:15",""
"7246364","21.0161","0.0011","15.2805","0.0006","11.3726","0.0005","90","","90","","90","","3652.2","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","none","dimethyl trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate pyridine clathrate","","- C22.5 H20.5 N0.5 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0442","0.0386","","","0.0985","0.1024","","","","","","1.037","","","","has coordinates","282334","2023-04-04","10:16:01",""
"7246365","21.2925","0.0013","15.5355","0.001","11.4506","0.0006","90","","90","","90","","3787.7","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C22 H20.333 N0.333 O4 -","- C21.9998 H20.3331 N0.3333 O4 -","- C175.998 H162.665 N2.6664 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.085","0.0601","","","0.1645","0.1974","","","","","","1.073","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246366","22.263","0.002","9.8738","0.0009","35.777","0.004","90","","93.222","0.006","90","","7852.1","1.3","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C102 H89 N3 O4 -","- C102 H89 N3 O4 -","- C408 H356 N12 O16 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0839","0.0507","","","0.1291","0.1514","","","","","","1.034","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246367","21.396","0.0012","15.5788","0.0009","11.3832","0.0006","90","","90","","90","","3794.3","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0841","0.0695","","","0.209","0.229","","","","","","1.044","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246368","15.7544","0.0007","25.0313","0.0011","40.1189","0.0016","90","","90","","90","","15821","1.2","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0971","0.0594","","","0.1615","0.1968","","","","","","1.016","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246369","11.2912","0.0006","21.2529","0.0013","15.8162","0.001","90","","90.136","0.003","90","","3795.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0636","0.0552","","","0.1512","0.1648","","","","","","1.043","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246370","18.95","0.004","8.983","0.002","22.253","0.005","90","","107.012","0.009","90","","3622.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H41 N O2 -","- C48 H41 N O2 -","- C192 H164 N4 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0651","0.0463","","","0.1159","0.1321","","","","","","1.035","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246371","15.5845","0.0013","24.9973","0.0019","40.03","0.004","90","","90","","90","","15595","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","none","1,1,1',1'-tetrakis(p-Chlorophenyl)-(9,10-ethanoanthracene-trans-11,12-diyl)dimethanol 2-methylpyridine clathrate'","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.057","0.0515","","","0.1252","0.129","","","","","","1.117","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246372","7.3058","0.0011","10.1615","0.0014","12.4124","0.0018","105.388","0.006","106.574","0.006","100.321","0.006","818.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 N2 O3 S -","- C15 H16 Cl2 N2 O3 S -","- C30 H32 Cl4 N4 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1396","0.0633","","","0.1243","0.152","","","","","","0.965","","","","has coordinates","282323","2023-04-04","10:11:30",""
"7246373","8.7279","0.0003","9.6603","0.0003","11.4482","0.0004","86.524","0.003","77.743","0.003","71.031","0.003","891.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O4 S -","- C16 H18 Cl2 N2 O4 S -","- C32 H36 Cl4 N4 O8 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0421","0.0415","","","0.1139","0.1147","","","","","","1.061","","","","has coordinates","282323","2023-04-04","10:11:33",""
"7246374","7.2276","0.0005","26.5464","0.0019","8.5613","0.0006","90","","112.99","0.003","90","","1512.16","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O2 S -","- C14 H14 Cl2 N2 O2 S -","- C56 H56 Cl8 N8 O8 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.084","0.0507","","","0.0867","0.0982","","","","","","1.016","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246375","8.1335","0.0002","9.2637","0.0002","10.0924","0.0003","72.817","0.002","72.328","0.003","76.935","0.002","684.39","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl2 N3 O2 S -","- C12 H9 Cl2 N3 O2 S -","- C24 H18 Cl4 N6 O4 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0363","0.0358","","","0.0985","0.0992","","","","","","1.031","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246376","12.2812","0.0006","7.35","0.0004","17.434","0.0009","90","","97.212","0.002","90","","1561.26","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 S -","- C14 H14 Cl2 N2 O4 S -","- C56 H56 Cl8 N8 O16 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.0446","0.0362","","","0.0697","0.0727","","","","","","1.037","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246377","7.542","0.0014","8.8365","0.0016","11.384","0.002","83.566","0.006","83.963","0.006","88.682","0.006","749.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl2 N3 O3 S -","- C13 H11 Cl2 N3 O3 S -","- C26 H22 Cl4 N6 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1077","0.0527","","","0.1013","0.1207","","","","","","0.993","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246378","17.6312","0.0007","19.4232","0.0004","31.839","0.0012","104.948","0.003","103.585","0.003","90.131","0.003","10216.7","0.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C141 H114 N13 O33 Zn6 -","- C141 H114 N13 O33 Zn6 -","- C282 H228 N26 O66 Zn12 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1688","0.1422","","","0.4017","0.4218","","","","","","1.512","","","","has coordinates","282339","2023-04-04","10:18:35",""
"7246379","31.752","0.002","17.8208","0.0005","19.1271","0.0008","90","","105.392","0.006","90","","10434.8","0.9","293","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H41 N5 O16 Zn3 -","- C64 H41 N5 O16 Zn3 -","- C256 H164 N20 O64 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.2076","0.1563","","","0.429","0.4615","","","","","","1.467","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246380","32.28","0.06","17.76","0.03","19.21","0.03","90","","104.08","0.05","90","","10682","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C262 H186 N22 O62 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1675","0.1013","","","0.2967","0.3684","","","","","","1.025","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246381","17.3665","0.0008","11.9235","0.0006","14.1752","0.0007","90","","109.802","0.002","90","","2761.7","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/o-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0368","0.0326","","","0.0861","0.0891","","","","","","1.019","","","","has coordinates,has disorder","282337","2023-04-04","10:16:53",""
"7246382","17.3219","0.0009","12.0646","0.0006","14.1378","0.0007","90","","110.136","0.002","90","","2774","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/m-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0418","0.0349","","","0.0886","0.0931","","","","","","1.03","","","","has coordinates,has disorder","282337","2023-04-04","10:17:02",""
"7246383","17.3436","0.0012","12.0126","0.0008","14.0767","0.001","90","","110.152","0.003","90","","2753.2","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/p-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0393","0.0333","","","0.0838","0.0874","","","","","","1.034","","","","has coordinates,has disorder","282337","2023-04-04","10:17:06",""
"7246384","7.4921","0.0002","6.3776","0.0001","12.2609","0.0003","90","","106.057","0.002","90","","562.99","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C22 H20 F2 N6 O10 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Zhang, Lin-Lin; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Salification-driven strategy toward the hydrophobic molecular salt of the antifungal drug 5-fluorocytosine and protocatechuic acid with triple-helix structure offers an innovative insight for conquering adverse drug reactions","CrystEngComm","2023","25","13","1951","1964","10.1039/D2CE01523D","","","1.54178","CuKα","","0.0232","0.0231","","","0.0621","0.0622","","","","","","1.111","","","","has coordinates","282320","2023-04-04","10:10:19",""
"7246397","7.754","0.006","9.591","0.009","11.88","0.011","85.36","0.03","80.05","0.02","70.72","0.02","821.1","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 O6 S2 -","- C10 H10 Cl2 N2 O6 S2 -","- C20 H20 Cl4 N4 O12 S4 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.1007","0.072","","","0.1928","0.2135","","","","","","1.231","","","","has coordinates","282321","2023-04-04","10:10:39",""
"7246398","11.91","0.001","9.772","0.001","18.427","0.001","90","","100.1","0.01","90","","2111.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","2","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.0387","0.0327","","","0.0779","0.0819","","","","","","1.057","","","","has coordinates","282321","2023-04-04","10:10:50",""
"7246399","15.172","0.004","11.583","0.005","29.439","0.005","90","","95.35","0.02","90","","5151","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C112 H144 Cl16 Cu16 N64 O80 S16 -","8","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.0532","0.0361","","","","0.0955","","","","","","0.939","","","","has coordinates","283219","2023-05-05","01:28:28",""
"7246400","14.812","0.014","9.144","0.004","17.494","0.009","90","","104.95","0.09","90","","2289","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C56 H56 Cl8 Cu8 N32 O32 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0516","","","","0.1329","","","","","","0.802","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246401","14.429","0.006","18.17","0.013","13.688","0.005","90","","118.29","0.04","90","","3160","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C56 H88 Cl16 Cu8 N32 O76 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1104","0.0453","","","","0.1032","","","","","","0.832","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246402","16.963","0.003","10.1822","0.0013","18.387","0.003","90","","91.86","0.014","90","","3174.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu2 N12 O6 S3 -","- C21 H25 Cl Cu2 N12 O6 S3 -","- C84 H100 Cl4 Cu8 N48 O24 S12 -","4","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.187","0.0516","","","","0.1234","","","","","","0.823","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246403","14.95","0.005","6.5697","0.0017","15.01","0.005","90","","106.96","0.02","90","","1410.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cl Cu N5 O4 S2 -","- C8 H8 Cl Cu N5 O4 S2 -","- C32 H32 Cl4 Cu4 N20 O16 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0497","","","","0.1154","","","","","","0.836","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246404","12.1962","0.0001","14.5964","0.0001","15.1337","0.0002","90","","90","","90","","2694.11","0.05","276.85","0.13","276.85","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","","1.54178","CuKα","","0.0343","0.0326","","","0.0918","0.0932","","","","","","1.048","","","","has coordinates,has disorder","283214","2023-05-05","01:26:50",""
"7246405","12.1948","0.00012","14.5982","0.00014","15.13607","0.00015","90","","90","","90","","2694.56","0.05","275.58","0.1","275.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.0849","0.0861","","","","","","1.056","","","","has coordinates","283214","2023-05-05","01:26:53",""
"7246406","9.3292","0.0005","12.1601","0.0004","12.7627","0.0005","71.759","0.003","81.597","0.004","81.225","0.004","1351.51","0.1","298.78","0.1","298.78","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0514","0.0445","","","0.1197","0.1246","","","","","","1.023","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246407","9.3353","0.0005","12.1678","0.0004","12.7548","0.0006","71.785","0.004","81.609","0.004","81.171","0.003","1352.49","0.11","298.86","0.1","298.86","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1269","0.1323","","","","","","1.041","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246408","12.1955","0.0001","14.5967","0.0001","15.1339","0.0001","90","","90","","90","","2694.05","0.03","276.17","0.13","276.17","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0356","0.0339","","","0.093","0.0941","","","","","","1.05","","","","has coordinates,has disorder","283214","2023-05-05","01:27:05",""
"7246409","12.18719","0.00019","14.6021","0.0002","15.1221","0.0002","90","","90","","90","","2691.11","0.07","299.5","0.18","299.5","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1023","0.1039","","","","","","1.085","","","","has coordinates","283214","2023-05-05","01:27:08",""
"7246410","9.3313","0.0003","12.1551","0.0003","12.7667","0.0003","71.773","0.002","81.625","0.002","81.167","0.002","1351.7","0.07","275.5","0.3","275.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0583","0.05","","","0.1448","0.1549","","","","","","1.0415","","","","has coordinates","283214","2023-05-05","01:27:10",""
"7246411","7.1754","0.0006","13.8861","0.0011","10.7991","0.0008","90","","104.604","0.003","90","","1041.24","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0463","0.0375","","","0.1069","0.1151","","","","","","1.05","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246412","7.919","0.008","10.604","0.009","13.971","0.014","89.16","0.03","78","0.04","78.24","0.03","1123","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0506","0.039","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246422","11.3761","0.0007","4.3405","0.0003","14.3469","0.0009","90","","90","","90","","708.42","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Eu Gd Te3 -","- Cu Eu Gd Te3 -","- Cu4 Eu4 Gd4 Te12 -","4","0.5","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0325","0.0248","","","0.0583","0.0605","","","","","","1.082","","","","has coordinates","282336","2023-04-04","10:16:37",""
"7246423","4.2937","0.0003","14.2876","0.0009","11.1174","0.0007","90","","90","","90","","682.02","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Eu Lu Te3 -","- Cu Eu Lu Te3 -","- Cu4 Eu4 Lu4 Te12 -","4","0.25","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0384","0.0297","","","0.0646","0.0671","","","","","","1.115","","","","has coordinates","282336","2023-04-04","10:16:40",""
"7246424","9.4797","0.001","15.7695","0.0016","6.796","0.0008","90","","94.474","0.004","90","","1012.84","0.19","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","C4H11CdCl4N","","- C4 H11 Cd Cl4 N -","- C4 H11 Cd Cl4 N -","- C16 H44 Cd4 Cl16 N4 -","4","1","","Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang","High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals","CrystEngComm","2023","25","15","2264","2270","10.1039/D3CE00145H","","","0.71073","MoKα","","0.0223","0.018","","","0.0387","0.0401","","","","","","1.07","","","","has coordinates","283211","2023-05-05","01:25:41",""
"7246430","6.6303","0.0004","7.8338","0.0005","7.9449","0.0005","117.137","0.002","93.126","0.002","111.674","0.002","328.63","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","1","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0601","0.0498","","","0.1337","0.1419","","","","","","1.076","","","","has coordinates","282312","2023-04-04","10:07:32",""
"7246431","3.7348","0.001","11.013","0.003","5.7044","0.0014","90","","96.47","0.01","90","","233.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0529","0.039","","","0.0912","0.1011","","","","","","1.042","","","","has coordinates","282312","2023-04-04","10:07:42",""
"7246432","18.8216","0.0002","9.2134","0.0002","12.654","0.0004","90","","99.552","0.007","90","","2163.92","0.1","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulfonate","","- C23 H22 Cl N O4 S -","- C23 H22 Cl N O4 S -","- C92 H88 Cl4 N4 O16 S4 -","4","2","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0726","0.0583","","","0.1462","0.1582","","","","","","1.043","","","","has coordinates,has disorder","283200","2023-05-05","01:19:20",""
"7246433","6.3116","0.0012","7.6593","0.0013","33.65","0.006","90","","91.663","0.006","90","","1626","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium Iodide","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0417","0.0408","","","0.1191","0.1203","","","","","","1.176","","","","has coordinates","283200","2023-05-05","01:19:24",""
"7246434","7.285","0.0002","7.285","0.0002","19.7163","0.0005","90","","90","","90","","1046.37","0.05","301","2","301.61","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl8 Ga8 Na16 S16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0207","0.019","","","0.0491","0.052","","","","","","1.132","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246435","21.819","0.0004","8.334","0.0002","6.8616","0.0001","90","","100.673","0.001","90","","1226.13","0.04","299","2","299.61","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na2 Se3 -","- Ga Na2 Se3 -","- Ga8 Na16 Se24 -","8","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0215","0.0172","","","0.0358","0.0384","","","","","","1.079","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246436","8.3169","0.0003","6.416","0.0002","20.7332","0.0007","90","","91.1838","0.0013","90","","1106.11","0.06","298.93","","298.93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 Na4 Se5 -","- Ga2 Na4 Se5 -","- Ga8 Na16 Se20 -","4","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0171","0.014","","","0.0297","0.031","","","","","","1.102","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246437","7.5821","0.0002","7.5821","0.0002","20.4761","0.0005","90","","90","","90","","1177.13","0.05","299","2","299.08","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl7.26 Ga8 I0.74 Na16 Se16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.031","0.0166","","","0.0344","0.046","","","","","","1.171","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246438","7.2885","0.0002","39.4434","0.001","7.2884","0.0002","90","","90","","90","","2095.29","0.1","300","2","300","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0178","0.0134","","","0.0295","0.032","","","","","","1.078","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246439","7.597","0.002","41.001","0.011","7.583","0.002","90","","90","","90","","2362","1.1","300","2","299.85","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl14.52 Ga16 I1.48 Na32 Se32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0439","0.0402","","","0.1121","0.1173","","","","","","1.145","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246446","6.6846","0.0002","7.0498","0.0002","15.0256","0.0004","97.105","0.002","94.771","0.002","109.331","0.003","657.18","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0371","0.0308","","","0.0663","0.0684","","","","","","1.097","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246447","6.7936","0.0002","7.348","0.0003","14.7847","0.0005","76.886","0.003","76.865","0.003","69.4","0.004","663.98","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0932","0.098","","","","","","1.092","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246448","3.9284","0.0002","26.3154","0.0012","13.1324","0.0006","90","","91.977","0.004","90","","1356.79","0.11","291","","291","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 N6 O6 Se3 -","- C27 H18 N6 O6 Se3 -","- C54 H36 N12 O12 Se6 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0936","0.066","","","0.102","0.1107","","","","","","1.059","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246449","11.5809","0.0004","11.2962","0.0005","15.112","0.0006","90","","104.191","0.001","90","","1916.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cd N6 O4 S2 -","- C18 H10 Cd N6 O4 S2 -","- C72 H40 Cd4 N24 O16 S8 -","4","1","","Yan, Xiao-Long; Cao, Xiao-Qin; Deng, Cheng-Rui; Zheng, Teng-Fei; Yao, Shu-Li; Liu, Sui-Jun","A highly stable and efficient benzothiadiazole-based fluorescence sensor for salicylaldehyde in aqueous solution","CrystEngComm","2023","25","16","2366","2371","10.1039/D3CE00130J","","","0.71073","MoKα","","0.0332","0.0259","","","0.059","0.0628","","","","","","1.09","","","","has coordinates","283205","2023-05-05","01:22:51",""
"7246450","10.825","0.005","18.151","0.008","9.211","0.004","90","","97.156","0.008","90","","1795.7","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N4 -","- C44 H44 N4 -","- C88 H88 N8 -","2","0.5","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.2119","0.0755","","","0.1391","0.1969","","","","","","1.008","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246451","14.404","0.007","14.404","0.007","9.018","0.008","90","","90","","90","","1871","2","120","2","120","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C46 H47 N5 -","- C46 H47 N5 -","- C92 H94 N10 -","2","0.25","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.1918","0.0786","","","0.1657","0.234","","","","","","1.072","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246467","7.7196","0.0005","11.7045","0.0007","9.4241","0.0006","90","","108.98","0.002","90","","805.21","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Salt 7 (293 K)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0569","0.0405","","","0.1007","0.1107","","","","","","1.045","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246468","9.9691","0.0004","11.552","0.0004","13.8196","0.0005","90","","101.995","0.001","90","","1556.76","0.1","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","2","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0379","0.0335","","","0.0844","0.0874","","","","","","1.033","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246477","6.6375","0.0011","8.1893","0.0014","8.426","0.0013","69.401","0.015","88.117","0.013","73.592","0.015","410.14","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","1","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0497","0.039","","","0.0844","0.091","","","","","","1.058","","","","has coordinates","283208","2023-05-05","01:24:01",""
"7246478","8.4631","0.0004","13.1568","0.0006","14.6722","0.0005","90","","91.403","0.004","90","","1633.22","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0576","0.0639","","","","","","1.013","","","","has coordinates","283208","2023-05-05","01:24:03",""
"7246479","6.5889","0.0019","8.4455","0.001","14.91","0.007","90","","99.21","0.04","90","","819","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C20 H12 Cl8 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0489","0.0324","","","0.0557","0.0652","","","","","","1.035","","","","has coordinates","283208","2023-05-05","01:24:12",""
"7246480","6.5931","0.0003","8.549","0.0004","15.1333","0.0009","90","","98.729","0.005","90","","843.1","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.051","0.0356","","","0.0671","0.0745","","","","","","1.024","","","","has coordinates","283208","2023-05-05","01:24:17",""
"7246481","10.8035","0.0008","14.9629","0.0005","6.608","0.0005","90","","128.8","0.011","90","","832.48","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","x-ray","0.71073","MoKα","","0.0559","0.0384","","","0.0721","0.0821","","","","","","1.046","","","","has coordinates","283208","2023-05-05","01:24:19",""
"7246482","7.6844","0.0015","8.4799","0.0012","9.8498","0.0014","67.682","0.014","82.043","0.014","87.656","0.014","588","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 O8 Zn -","- C10 H13 O8 Zn -","- C20 H26 O16 Zn2 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1095","0.0693","","","0.1633","0.1912","","","","","","1.04","","","","has coordinates","284263","2023-06-05","04:24:30",""
"7246483","8.1304","0.0007","8.2667","0.001","10.0751","0.0007","80.531","0.008","70.026","0.007","83.552","0.008","626.61","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Mn N0 O8 -","- C10 H13 Mn O8 -","- C20 H26 Mn2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.0892","0.0807","","","0.2211","0.2389","","","","","","1.089","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246484","7.8186","0.0019","8.4237","0.0014","9.8767","0.0017","68.312","0.016","81.997","0.018","87.309","0.016","598.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Co O8 -","- C10 H13 Co O8 -","- C20 H26 Co2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.11","0.0696","","","0.169","0.1955","","","","","","0.962","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246485","7.6366","0.0015","8.604","0.0013","10.0667","0.0016","113.496","0.015","90.956","0.015","90.157","0.014","606.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.5 H14 Co O7 -","- C11.52 H13.5 Co O7 -","- C23.04 H27 Co2 O14 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1165","0.0661","","","0.1605","0.2003","","","","","","0.909","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246486","11.62224","0.00009","14.66776","0.00011","21.05256","0.00016","100.659","0.0006","91.6602","0.0006","109.986","0.0007","3297.98","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C42 H32 N4 O2 S -","- C42 H32 N4 O2 S -","- C168 H128 N16 O8 S4 -","4","2","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0533","0.0491","","","0.1362","0.14","","","","","","1.065","","","","has coordinates","283206","2023-05-05","01:23:15",""
"7246487","27.8666","0.0004","10.4156","0.0001","23.2099","0.0004","90","","108.11","0.002","90","","6402.89","0.17","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C41 H30 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.057","0.0533","","","0.1488","0.1521","","","","","","1.071","","","","has coordinates,has disorder","283206","2023-05-05","01:23:18",""
"7246488","13.6322","0.0002","22.3975","0.0003","10.7806","0.00019","90","","111.601","0.002","90","","3060.44","0.09","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C36 H25 Cl3 N4 O2 S -","- C36 H25 Cl3 N4 O2 S -","- C144 H100 Cl12 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.047","0.0436","","","0.1219","0.1252","","","","","","1.066","","","","has coordinates","283206","2023-05-05","01:23:20",""
"7246489","13.2848","0.0002","21.9654","0.0003","10.92692","0.00017","90","","111.87","0.0018","90","","2959.06","0.08","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C140 H96 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0458","0.0425","","","0.1081","0.1106","","","","","","1.057","","","","has coordinates","283206","2023-05-05","01:23:29",""
"7246490","27.6505","0.0002","10.34767","0.00008","23.2526","0.0002","90","","108.491","0.001","90","","6309.54","0.09","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C40 H29 N5 O2 S -","- C40 H29 N5 O2 S -","- C320 H232 N40 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0449","0.0425","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246491","12.20306","0.00009","21.16656","0.00017","22.98109","0.00018","69.0121","0.0007","87.5755","0.0006","87.6112","0.0006","5534.93","0.08","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C280 H192 N32 O16 S8 -","8","4","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.067","0.0608","","","0.1731","0.1783","","","","","","1.037","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246492","21.9765","0.0004","21.9765","0.0004","114.166","0.002","90","","90","","120","","47751.2","1.5","213","","213","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","DPPMA/MTBPS","","- C162 H165 N25 O18 S4 -","- C117 H95.9997 N16 O12 S4 -","- C1404 H1152 N192 O144 S48 -","12","0.333333","","Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu","The introduction of a base component to porous organic salts and their CO2 storage capability","CrystEngComm","2023","25","15","2321","2325","10.1039/D3CE00086A","","","1.54184","CuKα","","0.1275","0.1015","","","0.3298","0.3624","","","","","","1.251","","","","has coordinates,has disorder","283217","2023-05-05","01:27:53",""
"7246500","8.1014","0.0011","11.2699","0.0015","15.485","0.002","90.087","0.005","99.656","0.005","101.285","0.005","1366","0.3","150","2","150.53","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl F N4 O6 -","- C28 H32 Cl F N4 O6 -","- C56 H64 Cl2 F2 N8 O12 -","2","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0647","0.0439","","","0.0973","0.1069","","","","","","1.03","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246501","10.93","0.002","7.2541","0.0014","35.222","0.006","90","","93.749","0.007","90","","2786.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl F N4 O6 -","- C28 H33 Cl F N4 O6 -","- C112 H132 Cl4 F4 N16 O24 -","4","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.1306","0.0716","","","0.1863","0.2222","","","","","","1.069","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7246502","12.1642","0.0018","7.4425","0.0011","31.958","0.005","90","","95.245","0.006","90","","2881.1","0.8","150","2","149.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl F N4 O5 -","- C31 H32 Cl F N4 O5 -","- C124 H128 Cl4 F4 N16 O20 -","4","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0615","0.0438","","","0.135","0.1509","","","","","","1.024","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246504","6.5339","0.0003","7.1569","0.0003","37.6943","0.0015","90","","90","","90","","1762.68","0.13","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.0547","0.0428","","","0.1051","0.1168","","","","","","1.083","","","","has coordinates","283212","2023-05-05","01:26:01",""
"7246505","6.5274","0.0003","7.2009","0.0003","37.7553","0.0016","90","","90","","90","","1774.62","0.13","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0281","0.0278","","","0.078","0.0783","","","","","","1.064","","","","has coordinates","283212","2023-05-05","01:26:03",""
"7246506","6.5322","0.0015","7.3486","0.0017","37.987","0.009","91.159","0.003","93.956","0.003","90.147","0.004","1818.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.1554","0.0699","","","0.1589","0.1995","","","","","","0.92","","","","has coordinates","283212","2023-05-05","01:26:07",""
"7246507","6.541","0.0002","7.1465","0.0002","37.8014","0.001","91.082","0.0012","94.097","0.0012","90.1522","0.0013","1762.19","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0651","0.0579","","","0.1607","0.1644","","","","","","1.197","","","","has coordinates","283212","2023-05-05","01:26:11",""
"7246508","7.8959","0.0007","9.112","0.0007","13.1382","0.0011","93.469","0.005","94.076","0.004","101.046","0.004","922.74","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N2 Ni0.5 O7 -","- C18 H23 N2 Ni0.5 O7 -","- C36 H46 N4 Ni O14 -","2","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0746","0.0571","","","0.1387","0.1465","","","","","","1.074","","","","has coordinates,has disorder","283207","2023-05-05","01:23:46",""
"7246509","34.338","0.002","34.338","0.002","12.6009","0.0011","90","","90","","120","","12867.1","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H21.06 N4 Ni0.5 O3 -","- C26 H21 N4 Ni0.5 O3 -","- C468 H378 N72 Ni9 O54 -","18","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","1.54184","CuKα","","0.0945","0.067","","","0.1924","0.2197","","","","","","1.056","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246510","10.804","0.001","18.8611","0.0014","16.7162","0.0014","90","","99.623","0.003","90","","3358.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N4 Ni O9 -","- C34 H40 N4 Ni O9 -","- C136 H160 N16 Ni4 O36 -","4","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0653","0.0524","","","0.1117","0.117","","","","","","1.069","","","","has coordinates","283207","2023-05-05","01:23:47",""
"7246511","20.668","0.0018","5.9629","0.0005","23.892","0.002","90","","103.289","0.003","90","","2865.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 Ni O8 -","- C28 H23.9998 N4 Ni O8 -","- C112 H95.9992 N16 Ni4 O32 -","4","0.5","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0735","0.0556","","","0.1314","0.1414","","","","","","1.039","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246512","9.6562","0.0001","11.6905","0.0001","35.064","0.0004","91.265","0.001","93.965","0.001","93.603","0.001","3939.56","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Sm2 -","- C79 H85 N5 O25 Sm2 -","- C158 H170 N10 O50 Sm4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0282","0.0229","","","0.0503","0.0524","","","","","","1.037","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246513","9.6431","0.0001","11.6693","0.0001","34.9873","0.0004","91.212","0.001","93.949","0.001","93.586","0.001","3918.74","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Eu2 N5 O25 -","- C79 H85 Eu2 N5 O25 -","- C158 H170 Eu4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0479","0.032","","","0.0666","0.0717","","","","","","1.03","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246514","9.6431","0.0007","11.6865","0.0009","34.943","0.003","90.941","0.003","94.27","0.003","93.617","0.004","3918.2","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H78 Gd2 N4 O24 -","- C76 H78 Gd2 N4 O24 -","- C152 H156 Gd4 N8 O48 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.058","0.0509","","","0.1354","0.1412","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246515","9.6298","0.0001","11.6484","0.0001","35.049","0.0004","91.288","0.001","94.152","0.001","93.793","0.001","3911.13","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Tb2 -","- C79 H85 N5 O25 Tb2 -","- C158 H170 N10 O50 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0383","0.0281","","","0.0607","0.0642","","","","","","1.04","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246516","9.7244","0.0006","13.8269","0.0008","22.6816","0.0014","83.161","0.004","79.17","0.004","84.514","0.004","2965.7","0.3","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Gd2 N2 O17 -","- C54 H50 Gd2 N2 O17 -","- C108 H100 Gd4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0699","0.0554","","","0.1464","0.1564","","","","","","1.045","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246517","9.8235","0.0006","13.8714","0.0009","22.4913","0.0015","83.593","0.003","78.224","0.003","84.961","0.004","2974.9","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Ho2 N4 O19 -","- C60 H64 Ho2 N4 O19 -","- C120 H128 Ho4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0657","0.0552","","","0.1269","0.1344","","","","","","1.049","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246518","9.6965","0.0006","13.7603","0.0009","22.5832","0.0014","83.287","0.002","78.791","0.002","84.572","0.002","2927.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Er2 N2 O17 -","- C54 H50 Er2 N2 O17 -","- C108 H100 Er4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0445","0.0414","","","0.1098","0.1132","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246519","9.6157","0.0009","11.653","0.0011","34.944","0.003","91.143","0.003","94.27","0.003","93.785","0.004","3894.9","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Ho2 N5 O25 -","- C79 H85 Ho2 N5 O25 -","- C158 H170 Ho4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.043","0.0391","","","0.0991","0.102","","","","","","1.044","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246520","9.8353","0.001","13.8578","0.0013","22.505","0.002","83.589","0.004","78.689","0.004","84.942","0.004","2982","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 N4 O19 Tb2 -","- C60 H64 N4 O19 Tb2 -","- C120 H128 N8 O38 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0758","0.0698","","","0.2064","0.2158","","","","","","1.222","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246521","9.8652","0.0007","13.8653","0.001","22.5242","0.0016","83.601","0.004","78.971","0.004","85.08","0.004","2998.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Eu2 N4 O19 -","- C60 H64 Eu2 N4 O19 -","- C120 H128 Eu4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0658","0.0565","","","0.1396","0.1449","","","","","","1.108","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246522","4.881","0.0002","36.8398","0.0013","8.6324","0.0003","90","","104.518","0.004","90","","1502.67","0.1","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0768","0.0605","","","0.1584","0.1772","","","","","","1.073","","","","has coordinates","283201","2023-05-05","01:19:38",""
"7246523","6.2342","0.0008","14.8463","0.0018","18.019","0.002","90","","90","","90","","1667.7","0.3","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C68 H56 F24 N8 O4 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1338","0.0742","","","0.1735","0.2074","","","","","","1.041","","","","has coordinates,has disorder","283201","2023-05-05","01:19:49",""
"7246524","4.9857","0.0008","10.6861","0.0012","16.2064","0.0017","78.81","0.009","83.66","0.011","88.872","0.011","841.84","0.19","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C34 H28 F12 N4 O2 -","2","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1663","0.0764","","","0.1901","0.2494","","","","","","1.025","","","","has coordinates,has disorder","283201","2023-05-05","01:20:02",""
"7246525","7.4706","0.0006","30.0542","0.0015","7.4459","0.0007","90","","117.037","0.012","90","","1489.1","0.3","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0784","0.0542","","","0.1297","0.1492","","","","","","1.048","","","","has coordinates","283201","2023-05-05","01:20:13",""
"7246529","17.0057","0.0019","47.058","0.004","35.948","0.004","90","","96.993","0.004","90","","28554","5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C1216 H1344 N192 O192 S64 -","64","16","","Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.","A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism","CrystEngComm","2023","25","21","3164","3170","10.1039/D2CE01693A","","","0.71073","MoKα","","0.0622","0.0439","","","0.1079","0.1163","","","","","","1.046","","","","has coordinates","284273","2023-06-05","04:28:23",""
"7246530","5.9862","0.0001","26.6117","0.0003","11.3914","0.0002","90","","101.668","0.001","90","","1777.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 Eu2 N2 O16 -","- C19 H20 Eu2 N2 O16 -","- C38 H40 Eu4 N4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0542","0.0525","","","0.1587","0.1596","","","","","","1.235","","","","has coordinates","283203","2023-05-05","01:20:43",""
"7246531","6.0396","0.0001","26.7827","0.0003","11.483","0.0002","90","","101.974","0.001","90","","1817.04","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H26 N4 O16 Pr2 -","- C23 H26 N4 O16 Pr2 -","- C46 H52 N8 O32 Pr4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0502","0.0487","","","0.1411","0.142","","","","","","1.216","","","","has coordinates","283203","2023-05-05","01:20:45",""
"7246532","6.0356","0.0001","26.7275","0.0004","11.4561","0.0002","90","","101.874","0.002","90","","1808.51","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 Nd2 O16 -","- C19 H20 N2 Nd2 O16 -","- C38 H40 N4 Nd4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.062","0.061","","","0.167","0.1674","","","","","","1.376","","","","has coordinates","283203","2023-05-05","01:20:55",""
"7246533","5.9578","0.0001","26.4881","0.0005","11.3463","0.0002","90","","101.548","0.002","90","","1754.32","0.06","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Tb2 -","- C19 H20 N2 O16 Tb2 -","- C38 H40 N4 O32 Tb4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0817","0.0776","","","0.1947","0.1966","","","","","","1.274","","","","has coordinates","283203","2023-05-05","01:20:59",""
"7246534","6.00619","0.00014","26.6761","0.0007","11.4263","0.0003","90","","101.705","0.003","90","","1792.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Sm2 -","- C19 H20 N2 O16 Sm2 -","- C38 H40 N4 O32 Sm4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.059","0.0573","","","0.1183","0.119","","","","","","1.0235","","","","has coordinates","283203","2023-05-05","01:21:10",""
"7246535","9.5113","0.0004","12.2963","0.0005","14.3259","0.0005","90","","90","","90","","1675.47","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0259","0.0258","","","0.0675","0.0676","","","","","","1.043","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246536","10.43482","0.00016","10.88547","0.00017","16.7749","0.0003","90","","95.4518","0.0015","90","","1896.81","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54184","CuKα","","0.0425","0.0344","","","0.0794","0.0856","","","","","","1.08","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246537","9.7147","0.0005","13.1197","0.0007","13.9392","0.0008","90","","90","","90","","1776.61","0.17","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0287","0.0284","","","0.0763","0.0768","","","","","","1.046","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246538","11.1727","0.0013","12.5417","0.0014","13.6848","0.0016","90","","90","","90","","1917.6","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C88 H128 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0772","0.0776","","","","","","1.088","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246539","10.1971","0.0006","13.0846","0.0008","13.6747","0.0008","90","","90","","90","","1824.55","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0252","0.025","","","0.0644","0.0645","","","","","","1.034","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246542","8.7789","0.0005","10.3493","0.0006","11.4397","0.0006","96.56","0.002","102.11","0.002","102.726","0.002","977.14","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0473","0.0411","","","0.1075","0.1129","","","","","","1.05","","","","has coordinates,has disorder","284256","2023-06-05","04:22:08",""
"7246543","8.854","0.0004","10.4874","0.0005","11.4956","0.0006","96.485","0.002","102.37","0.002","102.734","0.002","1002.53","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 3-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0589","0.0477","","","0.133","0.1436","","","","","","1.051","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246544","12.3235","0.0007","13.4341","0.0008","13.8154","0.0008","107.75","0.002","93.267","0.002","102.939","0.002","2103.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.058","0.0437","","","0.1081","0.1208","","","","","","1.03","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246545","6.6428","0.0003","14.1206","0.0007","18.279","0.0009","90","","90","","90","","1714.58","0.14","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O6 S -","- C14 H26 N2 O6 S -","- C56 H104 N8 O24 S4 -","4","1","","Haku, Ryotaro; Takatori, Kazuhiko; Suzuki, Naoto; Ono, Makoto; Titapiwatanakun, Varin; Fukami, Toshiro","Exploration and characterization of a novel cocrystal hydrate consisting of captopril, an amino acid-derived drug","CrystEngComm","2023","25","17","2523","2533","10.1039/D3CE00181D","","","1.54187","CuKα","","0.0326","0.0321","","","0.0904","0.0908","","","","","","1.069","","","","has coordinates","283199","2023-05-05","01:19:09",""
"7246559","14.7676","0.0003","19.8952","0.0005","23.4556","0.0005","65.078","0.001","80.373","0.001","86.046","0.001","6161.6","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Eu F12 N O9 -","- C70 H54 Eu F12 N O9 -","- C280 H216 Eu4 F48 N4 O36 -","4","2","","Yin, Sen; Li, Xiaomeng; Wang, Hongjing; Li, Jingya; Huang, Wenru; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Coordination-driven self-assembly of a sandwich shaped Eu(iii) complex for induced circularly polarized luminescence","CrystEngComm","2023","25","10","1541","1549","10.1039/D3CE00030C","","x-ray","0.71073","MoKα","","0.0846","0.049","","","0.0944","0.1103","","","","","","1.015","","","","has coordinates,has disorder","282235","2023-04-04","01:51:06",""
"7246566","16.7971","0.0006","10.4049","0.0004","20.9204","0.0008","90","","92.477","0.003","90","","3652.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N9 S3 -","- C42 H33 N9 S3 -","- C168 H132 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1273","0.0628","","","0.1529","0.1913","","","","","","1.042","","","","has coordinates","283197","2023-05-05","01:18:44",""
"7246567","16.252","0.0005","9.079","0.0003","23.6755","0.0006","90","","94.965","0.003","90","","3480.26","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 N9 S3 -","- C41 H31 N9 S3 -","- C164 H124 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1051","0.0623","","","0.1678","0.1993","","","","","","1.029","","","","has coordinates","283197","2023-05-05","01:18:48",""
"7246568","11.1814","0.0003","14.2429","0.0004","16.0263","0.0005","65.064","0.003","71.346","0.003","81.023","0.002","2192.11","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 N9 S3 -","- C45 H39 N9 S3 -","- C90 H78 N18 S6 -","2","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1003","0.0616","","","0.1509","0.1704","","","","","","1.051","","","","has coordinates,has disorder","283197","2023-05-05","01:18:48",""
"7246569","11.1802","0.0006","9.6493","0.0006","15.1332","0.0008","90","","90","","90","","1632.59","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 N3 P S -","- C12 H30 N3 P S -","- C48 H120 N12 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0404","0.0362","","","0.0883","0.0912","","","","","","1.056","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246570","9.0129","0.0007","10.0163","0.0007","10.472","0.0007","64.525","0.007","76.954","0.006","66.104","0.007","778.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N2 O3 P -","- C17 H15 N2 O3 P -","- C34 H30 N4 O6 P2 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1053","0.1159","","","","","","1.036","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246571","9.4456","0.0002","12.1063","0.0002","14.6424","0.0003","90","","90","","90","","1674.38","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N6 P S -","- C15 H15 N6 P S -","- C60 H60 N24 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0254","0.0246","","","0.0628","0.0636","","","","","","1.052","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246572","11.2653","0.0002","19.0533","0.0004","8.9226","0.0002","90","","99.3906","0.0019","90","","1889.49","0.07","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl N2 O2 P -","- C18 H28 Cl N2 O2 P -","- C72 H112 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.0326","0.0312","","","0.053","0.0537","","","","2.14","2.14","2.12","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246573","6.0515","0.0002","17.9235","0.0008","19.304","0.0008","90","","93.157","0.003","90","","2090.61","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl N2 O2 P -","- C20 H32 Cl N2 O2 P -","- C80 H128 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.062","0.0513","","","0.0607","0.0632","","","","1.75","1.75","1.62","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246576","8.806","0.002","9.11","0.003","23.923","0.006","90","","96.827","0.006","90","","1905.6","0.9","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N4 O4 -","- C19 H18 Cu N4 O4 -","- C76 H72 Cu4 N16 O16 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0625","0.0441","","","0.0989","0.1067","","","","","","1.044","","","","has coordinates","284252","2023-06-05","04:20:58",""
"7246577","13.4822","0.0009","10.2082","0.0007","19.4797","0.0013","90","","105.29","0.002","90","","2586.1","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu4 N6 O22 -","- C48 H50 Cu4 N6 O22 -","- C96 H100 Cu8 N12 O44 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1031","0.0501","","","0.0933","0.11","","","","","","0.996","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246578","13.4355","0.0011","14.4906","0.0012","8.9824","0.0007","90","","99.255","0.002","90","","1726","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C68 H72 Cu4 N8 O20 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0604","0.0421","","","0.1033","0.1106","","","","","","1.053","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246579","9.1259","0.0007","13.4355","0.001","14.5446","0.0011","90","","90","","90","","1783.3","0.2","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15.5 Cu N2 O4.25 -","- C18 H15.5 Cu N2 O4.2499 -","- C72 H62 Cu4 N8 O16.9996 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0825","0.0626","","","0.1297","0.1397","","","","","","1.028","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246580","9.193","0.002","12.176","0.005","20.62","0.008","90","","98.301","0.018","90","","2283.9","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cu N2 O8.5 -","- C22 H25 Cu N2 O8.5 -","- C88 H100 Cu4 N8 O34 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1371","0.0883","","","0.1828","0.2072","","","","","","1.002","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246581","20.737","0.004","8.442","0.0017","40.952","0.008","90","","97.09","0.03","90","","7114","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N6 O21 -","- C64 H80 Cu4 N6 O21 -","- C256 H320 Cu16 N24 O84 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.788","","","0.1042","0.0864","","","0.2121","0.2228","","","","","","1.039","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246582","24.8208","0.0014","19.2806","0.0011","13.1952","0.0008","90","","95.625","0.001","90","","6284.3","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cu4 N8 O24 -","- C60 H72 Cu4 N8 O24 -","- C240 H288 Cu16 N32 O96 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1046","0.0587","","","0.1471","0.1714","","","","","","1.016","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246583","16.7676","0.0006","13.2787","0.0005","17.0342","0.0006","90","","117.98","0.002","90","","3349.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H87 Cu4 N6 O21.5 -","- C64 H87 Cu4 N6 O21.5 -","- C128 H174 Cu8 N12 O43 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0404","0.0331","","","0.089","0.0934","","","","","","1.067","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246584","8.7502","0.0003","9.7243","0.0003","16.258","0.0005","97.669","0.003","90.451","0.003","112.261","0.002","1266.25","0.07","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Zhang, Min; Wang, Min-Yu; Yu, Yue-Ming; Meng, Su-Su; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Supramolecular self-assembly with p-coumaric acid offers the first cocrystal for perfecting the physicochemical peculiarity and enhancing the antifungal effect of drug bifonazole","CrystEngComm","2023","25","18","2789","2801","10.1039/D3CE00082F","","","1.54186","CuKα","","0.0718","0.0654","","","0.1749","0.1818","","","","","","1.045","","","","has coordinates","284267","2023-06-05","04:25:37",""
"7246585","21.0625","0.0004","11.03858","0.00013","34.7488","0.0004","90","","98.5112","0.0013","90","","7990.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C85 H79 Eu2 N9 O20 -","- C85 H79 Eu2 N9 O20 -","- C340 H316 Eu8 N36 O80 -","4","0.5","","Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping","Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions","CrystEngComm","2023","25","18","2813","2823","10.1039/D3CE00142C","","","1.54184","CuKα","","0.0537","0.042","","","0.101","0.1096","","","","","","1.039","","","","has coordinates","284264","2023-06-05","04:24:39",""
"7246586","6.925","0.003","27.776","0.011","9.963","0.005","90","","106.46","0.03","90","","1837.8","1.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 N4 O3 -","- C19 H12 F4 N4 O3 -","- C76 H48 F16 N16 O12 -","4","1","","Meng, Xiao; Xu, Shu; Chen, Changqing; Guo, Lihui; Ma, Yuguo","Topochemical 1,3-dipolar cycloaddition polymerization assisted by non-covalent interactions","CrystEngComm","2023","25","18","2706","2711","10.1039/D3CE00105A","","","0.71073","MoKα","","0.1017","0.0869","","","0.207","0.2163","","","","","","1.192","","","","has coordinates","284266","2023-06-05","04:25:22",""
"7246587","9.197","0.0004","9.197","0.0004","14.6568","0.0007","90","","90","","90","","1239.74","0.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C16 H64 N32 O32 -","16","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0353","0.0321","","","0.0988","0.1201","","","","","","1.252","","","","has coordinates","284261","2023-06-05","04:24:05",""
"7246588","8.3422","0.001","4.8944","0.0006","8.7962","0.001","90","","122.423","0.003","90","","303.16","0.06","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxyurea","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0598","0.0595","","","0.1743","0.1745","","","","","","1.164","","","","has coordinates","284261","2023-06-05","04:24:12",""
"7246604","7.909","0.00013","3.95477","0.00007","7.94357","0.00013","90","","90.0831","0.0015","90","","248.461","0.007","293","0.1","293","0.1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","Europium disulfide","Europium (III) disulfide","","- Eu S2 -","- Eu S2 -","- Eu4 S8 -","4","1","","Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.","Structural, optical and transport properties of layered europium disulfide synthesized under high pressure","CrystEngComm","2023","25","19","2966","2978","10.1039/D2CE01647H","","x-ray","0.71073","MoKα","","0.0144","0.0121","","","0.0229","0.0232","","","","","","1.074","","","","has coordinates","284250","2023-06-05","04:20:31",""
"7246611","10.3022","0.0005","17.0112","0.0008","13.9944","0.0007","90","","109.803","0.002","90","","2307.5","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O8 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.043","0.0336","","","0.0797","0.0843","","","","","","1.05","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246612","9.3209","0.0004","9.6054","0.0004","10.9253","0.0005","97.395","0.001","92.419","0.001","103.814","0.001","939.25","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0402","0.0372","","","0.0982","0.101","","","","","","1.047","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246613","15.4865","0.0006","7.7516","0.0003","21.7882","0.0009","90","","107.48","0.001","90","","2494.79","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H44 N4 O15 Zn3 -","- C56 H44 N4 O15 Zn3 -","- C112 H88 N8 O30 Zn6 -","2","0.5","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.048","0.0429","","","0.1154","0.12","","","","","","1.085","","","","has coordinates,has disorder","284259","2023-06-05","04:23:37",""
"7246614","21.1334","0.0008","10.3316","0.0004","26.5739","0.0008","90","","121.011","0.002","90","","4972.9","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N4 O16 Zn4 -","- C54 H32 N4 O16 Zn4 -","- C216 H128 N16 O64 Zn16 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0537","0.042","","","0.1058","0.1125","","","","","","1.023","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246615","8.2815","0.0003","16.5697","0.0001","4.7742","0.0003","90","","90","","90","","655.13","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.1267","0.0624","","","0.1222","0.1519","","","","","","1.052","","","","has coordinates","284276","2023-06-05","04:28:46",""
"7246616","3.6672","0.0003","24.648","0.002","7.3252","0.0007","90","","98.28","0.003","90","","655.22","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0489","0.0386","","","0.0821","0.0881","","","","","","1.063","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246617","12.714","0.0016","8.0602","0.001","7.0415","0.0008","90","","95.899","0.003","90","","717.77","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O2 -","- C3 H6 N8 O2 -","- C12 H24 N32 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0506","0.0376","","","0.0848","0.0913","","","","","","1.111","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7246618","12.9556","0.0015","8.7565","0.001","6.4841","0.0008","90","","104.077","0.003","90","","713.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O -","- C3 H7 N9 O -","- C12 H28 N36 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0794","0.0572","","","0.1306","0.1412","","","","","","1.178","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246619","7.7755","0.001","9.6671","0.0012","16.403","0.002","91.184","0.003","91.699","0.003","92.084","0.002","1231.3","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0523","0.0409","","","0.1043","0.1127","","","","","","1.034","","","","has coordinates","287935","2023-12-01","15:08:13",""
"7246620","7.8919","0.0015","11.242","0.002","14.8","0.003","76.592","0.004","81.917","0.004","76.998","0.004","1239.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0602","0.0427","","","0.0978","0.1073","","","","","","1.015","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246621","7.8166","0.0016","9.981","0.002","16.223","0.003","87.546","0.004","89.183","0.004","88.641","0.004","1264.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Cl3 N O2 -","- C27 H30 Cl3 N O2 -","- C54 H60 Cl6 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0423","0.0357","","","0.0952","0.1005","","","","","","1.034","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246622","7.938","0.009","11.115","0.013","15.689","0.018","74.87","0.02","87.11","0.02","83.09","0.02","1326","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl5 N O2 -","- C27 H28 Cl5 N O2 -","- C54 H56 Cl10 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0735","0.0541","","","0.1418","0.1578","","","","","","1.021","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246628","11.3032","0.0004","9.775","0.0003","47.7728","0.0014","90","","93.4935","0.0009","90","","5268.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H36 O8 -","- C62 H36 O8 -","- C248 H144 O32 -","4","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.0775","0.0623","","","0.13","0.1373","","","","","","1.104","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246629","10.4851","0.0005","17.0154","0.0008","24.7946","0.0011","89.7118","0.0011","89.6383","0.0012","82.0544","0.0012","4381","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C149 H119 N5 O21 Zn4 -","2","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.1075","0.1034","","","0.3158","0.3259","","","","","","1.584","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246630","4.0174","0.0005","24.741","0.0018","13.0728","0.001","90","","95.086","0.005","90","","1294.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.0743","0.049","","","0.0968","0.1047","","","","","","1.041","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246631","16.3862","0.0016","20.785","0.002","7.6276","0.0009","90","","100.272","0.006","90","","2556.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C88 H48 F8 N16 S24 Se8 -","4","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.1001","0.0511","","","0.097","0.1149","","","","","","1.022","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246632","11.1356","0.0018","13.457","0.002","15.87","0.002","90","","103.005","0.004","90","","2317.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O16 -","- C44 H36 Cd2 N8 O16 -","- C88 H72 Cd4 N16 O32 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.1056","0.036","","","0.0662","0.0936","","","","","","0.968","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246633","11.0553","0.0007","13.6054","0.001","15.7426","0.001","90","","104.307","0.002","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N8 O16 Zn2 -","- C44 H36 N8 O16 Zn2 -","- C88 H72 N16 O32 Zn4 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0863","0.0628","","","0.1158","0.1243","","","","","","1.088","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246634","9.2175","0.0003","11.0467","0.0005","13.4532","0.0006","104.477","0.002","101.662","0.002","109.627","0.001","1186.22","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N2 O9 -","- C24 H22 Cd N2 O9 -","- C48 H44 Cd2 N4 O18 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0693","0.0448","","","0.092","0.1033","","","","","","1.049","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246635","12.3981","0.0006","8.4459","0.0003","15.1806","0.0007","90","","104.276","0.002","90","","1540.52","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Cd2 N O16 -","- C27 H25 Cd2 N O16 -","- C54 H50 Cd4 N2 O32 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0292","0.0272","","","0.0645","0.0658","","","","","","1.037","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246636","11.7905","0.0004","11.7905","0.0004","23.9682","0.0008","90","","90","","90","","3331.96","0.19","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H26 N2 O14 Zn2 -","- C34 H26 N2 O14 Zn2 -","- C136 H104 N8 O56 Zn8 -","4","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0336","0.0298","","","0.081","0.0836","","","","","","1.035","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246646","14.107","0.008","7.457","0.005","17.652","0.012","90","","107.15","0.03","90","","1774","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C64 H84 N20 O24 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0496","0.04","","","0.099","0.1053","","","","","","1.049","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246647","11.237","0.006","13.848","0.008","15.127","0.009","67.99","0.02","87.32","0.02","66.84","0.03","1992","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0585","0.0436","","","0.1005","0.1083","","","","","","1.053","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246648","14.095","0.008","7.424","0.003","39.15","0.02","90","","91.267","0.013","90","","4096","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0829","0.0475","","","0.1056","0.1231","","","","","","1.012","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246649","11.005","0.004","12.739","0.004","11.783","0.004","90","","107.323","0.012","90","","1577","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Famciclovir anhydrate","","- C14 H19 N5 O4 -","- C14 H19 N5 O4 -","- C56 H76 N20 O16 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0576","0.0454","","","0.1071","0.1141","","","","","","1.024","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246650","14.056","0.004","7.578","0.003","17.799","0.007","90","","106.96","0.01","90","","1813.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C32 H42 N10 O12 -","- C32 H42 N10 O12 -","- C64 H84 N20 O24 -","2","0.5","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.091","0.0524","","","0.1201","0.1466","","","","","","1.05","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246651","14.012","0.01","7.541","0.006","39.34","0.03","90","","91.659","0.01","90","","4155","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.1589","0.0614","","","0.1484","0.2009","","","","","","0.999","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246652","11.439","0.003","13.954","0.003","15.137","0.003","67.808","0.005","86.239","0.004","68.249","0.005","2070.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0876","0.0526","","","0.1359","0.1669","","","","","","1.019","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246653","9.4819","0.0009","10.0041","0.0008","17.2683","0.0016","83.82","0.004","75.769","0.005","84.708","0.004","1574.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir monohydrate","","- C14 H21 N5 O5 -","- C14 H21 N5 O5 -","- C56 H84 N20 O20 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0936","0.0542","","","0.1063","0.1211","","","","","","1.039","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246654","15.3463","0.0006","6.7602","0.0002","8.0457","0.0003","90","","115.305","0.001","90","","754.6","0.05","296","","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 Gd2 Na O8 S2 -","- F3 Gd2 Na O8 S2 -","- F12 Gd8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0145","0.0134","","","0.0291","0.0294","","","","","","1.107","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246655","15.788","0.001","6.9859","0.0004","8.3004","0.0005","90","","115.725","0.002","90","","824.74","0.09","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 La2 Na O8 S2 -","- F3 La2 Na O8 S2 -","- F12 La8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0133","0.0131","","","0.033","0.0331","","","","","","1.089","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246657","10.8674","0.0007","13.4431","0.0008","17.3938","0.0011","87.805","0.002","78.109","0.001","73.839","0.001","2387.8","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C24 H44 Cr2 Cu8 Mo12 N28 O64 -","2","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0984","0.0516","","","0.0874","0.0997","","","","","","1.015","","","","has coordinates","284260","2023-06-05","04:23:46",""
"7246658","10.6104","0.0019","15.5334","0.0019","14.834","0.002","90","","101.287","0.003","90","","2397.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cu2 Mo4 N7 O17 -","- C6 H9 Cu2 Mo4 N7 O17 -","- C24 H36 Cu8 Mo16 N28 O68 -","4","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0637","0.0399","","","0.0778","0.086","","","","","","1.013","","","","has coordinates","284260","2023-06-05","04:23:47",""
"7246664","7.0683","0.0015","8.6879","0.0017","9.462","0.002","111.186","0.008","108.771","0.008","97.407","0.008","492.78","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H4 N2 O S4 -","- C7 H4 N2 O S4 -","- C14 H8 N4 O2 S8 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0287","0.0274","","","0.0766","0.0787","","","","","","1.029","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246665","14.498","0.0013","7.5276","0.0009","16.6742","0.0017","90","","111.731","0.005","90","","1690.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C48 H40 N8 S32 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.06","0.0374","","","0.0894","0.1013","","","","","","1.049","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246666","9.19","0.0018","10.0186","0.0017","8.6765","0.0017","90","","98.049","0.007","90","","791","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N O S4 -","- C5 H3 N O S4 -","- C20 H12 N4 O4 S16 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0455","0.0385","","","0.0981","0.1036","","","","","","1.167","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246667","19.606","0.004","3.8452","0.0007","20.687","0.004","90","","91.669","0.009","90","","1558.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 N2 O S4 -","- C5 N2 O S4 -","- C40 N16 O8 S32 -","8","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0738","0.0571","","","0.1197","0.1257","","","","","","1.09","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246668","6.0133","0.0003","10.3719","0.0007","14.1989","0.0009","84.691","0.002","79.633","0.002","85.606","0.002","865.76","0.09","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C24 H20 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0807","0.0839","","","","","","1.062","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246669","7.1063","0.0015","12.405","0.003","13.462","0.004","100.797","0.012","91.933","0.013","92.39","0.009","1163.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H7 F4 N5 S7 -","- C21 H7 F4 N5 S7 -","- C42 H14 F8 N10 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0589","0.0436","","","0.0899","0.0964","","","","","","1.009","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246670","7.906","0.002","8.704","0.003","11.633","0.003","100.13","0.01","101.742","0.01","113.22","0.01","690.5","0.4","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H7 N S7 -","- C9 H7 N S7 -","- C18 H14 N2 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0319","0.0274","","","0.0687","0.0727","","","","","","1.042","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246671","7.4506","0.0012","8.1175","0.0012","13.345","0.002","73.335","0.005","87.672","0.006","81.049","0.006","763.8","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H6 N2 S8 -","- C10 H6 N2 S8 -","- C20 H12 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0291","0.0274","","","0.0785","0.0806","","","","","","1.039","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246672","7.2339","0.001","10.7451","0.0015","13.7344","0.0019","77.886","0.005","87.003","0.005","72.421","0.005","995","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","1","0.5","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0469","0.0382","","","0.0895","0.094","","","","","","1.081","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246673","11.1792","0.0003","6.3833","0.0001","7.9535","0.0002","90","","104.23","0.003","90","","550.15","0.02","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N S2 -","- C3 H4 Ag N S2 -","- C12 H16 Ag4 N4 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.4156","synchrotron","","0.0495","0.0487","","","0.1439","0.1451","","","","","","1.101","","","","has coordinates","284255","2023-06-05","04:21:38",""
"7246674","12.4028","0.0003","10.0914","0.0003","7.3468","0.0002","90","","91.801","0.002","90","","919.08","0.04","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Ag2 F3 N O2 S2 -","- C5 H4 Ag2 F3 N O2 S2 -","- C20 H16 Ag8 F12 N4 O8 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.71073","MoKα","","0.0463","0.0357","","","0.0866","0.0918","","","","","","1.031","","","","has coordinates","284255","2023-06-05","04:21:47",""
"7246683","11.6265","0.0004","11.6941","0.0006","12.1146","0.0006","73.313","0.002","77.928","0.001","80.047","0.001","1531.64","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H32 F6 N6 O10 -","- C24 H32 F6 N6 O10 -","- C48 H64 F12 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0658","0.0437","","","0.1215","0.1448","","","","","","1.011","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246684","14.0576","0.0005","11.0469","0.0003","15.0431","0.0006","90","","111.343","0.002","90","","2175.87","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-fluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H30 F N3 O8 -","- C18 H30 F N3 O8 -","- C72 H120 F4 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0472","0.0346","","","0.08","0.0874","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246685","11.4494","0.0006","11.7343","0.0006","12.2027","0.0006","73.603","0.002","77.788","0.002","79.85","0.002","1525.26","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H34 F4 N6 O10 -","- C24 H34 F4 N6 O10 -","- C48 H68 F8 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0674","0.0411","","","0.1127","0.1347","","","","","","0.97","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246686","7.9046","0.0008","9.2505","0.0008","15.7606","0.0016","79.769","0.003","84.623","0.003","78.313","0.004","1108.61","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H29 F2 N3 O8 -","- C18 H29 F2 N3 O8 -","- C36 H58 F4 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.082","0.0636","","","0.1754","0.1991","","","","","","1.027","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246687","7.1452","0.0004","13.566","0.0008","7.7555","0.0005","90","","90","","90","","751.75","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine","","- C6 H4 F3 N3 O2 -","- C6 H4 F3 N3 O2 -","- C24 H16 F12 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0421","0.033","","","0.096","0.1053","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246688","4.5277","0.0002","11.3347","0.0006","13.835","0.0007","90","","93.899","0.0017","90","","708.37","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-fluoro-6-nitrobenzene-1,3-diamine","","- C6 H6 F N3 O2 -","- C6 H6 F N3 O2 -","- C24 H24 F4 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.048","0.0411","","","0.1123","0.1229","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246689","8.0036","0.0007","9.2934","0.0007","15.7077","0.0012","80.801","0.004","81.339","0.004","78.77","0.004","1122.6","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H28 F3 N3 O8 -","- C18 H28 F3 N3 O8 -","- C36 H56 F6 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.1134","0.0944","","","0.3077","0.3318","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246690","7.6215","0.0004","3.675","0.0002","13.2829","0.0007","90","","104.936","0.002","90","","359.47","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2,4-difluoro-6-nitrobenzene-1,3-diamine","","- C6 H5 F2 N3 O2 -","- C6 H5 F2 N3 O2 -","- C12 H10 F4 N6 O4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0282","0.0257","","","0.0765","0.0792","","","","","","1.035","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246691","13.7751","0.001","11.1808","0.0006","14.7876","0.0011","90","","109.477","0.003","90","","2147.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-diaminenitrobenzene 18-crown-6 1:1 cocrystal","","- C18 H31 N3 O8 -","- C18 H31 N3 O8 -","- C72 H124 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0458","0.0403","","","0.1076","0.115","","","","","","0.986","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246692","19.017","0.004","10.115","0.002","13.08","0.003","90","","97.672","0.008","90","","2493.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","0.71073","MoKα","","0.0404","0.0328","","","0.1134","0.1293","","","","","","1.017","","","","has coordinates","284270","2023-06-05","04:27:06",""
"7246693","18.5204","0.0011","18.0376","0.001","12.4569","0.0007","90","","125.092","0.002","90","","3405","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","1.34139","GaKα","","0.0733","0.0698","","","0.2575","0.2611","","","","","","1.385","","","","has coordinates","284270","2023-06-05","04:27:09",""
"7246701","10.8682","0.0002","32.7516","0.0008","13.6339","0.0002","90","","98.507","0.001","90","","4799.61","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cu F6 N2 O P3 -","- C54 H44 Cu F6 N2 O P3 -","- C216 H176 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1035","0.0871","","","0.1739","0.19","","","","","","1.128","","","","has coordinates,has disorder","284257","2023-06-05","04:23:00",""
"7246702","10.8302","0.0004","11.9965","0.0004","17.2894","0.0006","98.862","0.003","95.289","0.003","102.775","0.003","2145.9","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.115","0.0885","","","0.1749","0.1998","","","","","","0.95","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246703","10.9817","0.0008","15.119","0.0008","18.478","0.0012","112.459","0.003","93.961","0.003","108.337","0.005","2627.9","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H47 Cl3 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C106 H88 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1179","0.0889","","","0.1724","0.1935","","","","","","0.995","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246704","17.0919","0.0003","14.2952","0.0003","20.6426","0.0003","90","","103.521","0.001","90","","4903.86","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Cu F6 N2 O P3 -","- C57 H48 Cu F6 N2 O P3 -","- C228 H192 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.0936","0.0829","","","0.1745","0.1846","","","","","","1.013","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246705","6.6336","0.0001","8.8279","0.0001","10.2569","0.0002","90","","90.9385","0.0012","90","","600.571","0.016","293","","296.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Na3 O6 Pr -","- B2 Na3 O6 Pr -","- B8 Na12 O24 Pr4 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0196","0.0182","","","0.0257","0.0261","","","","1.7","1.7","1.68","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246706","6.5247","0.0001","8.7309","0.0001","10.1447","0.0001","90","","90.8656","0.0011","90","","577.842","0.012","293","","294.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Gd Na3 O6 -","- B2 Gd Na3 O6 -","- B8 Gd4 Na12 O24 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0169","0.0156","","","0.0217","0.0223","","","","1.45","1.45","1.44","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246707","4.3315","0.0004","18.5293","0.0017","21.324","0.002","90","","93.751","0.004","90","","1707.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C88 H60 Br4 N8 O4 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Stress and light sensitive dual-mechanical property of acylhydrazone crystal","CrystEngComm","2023","25","21","3237","3244","10.1039/D3CE00296A","","","0.71073","MoKα","","0.0624","0.0425","","","0.1017","0.1149","","","","","","1.038","","","","has coordinates","284272","2023-06-05","04:28:09",""
"7246710","7.7814","0.0012","10.0144","0.0012","15.979","0.002","87.193","0.007","77.808","0.007","69.864","0.007","1142.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0686","0.0593","","","0.1876","0.1971","","","","","","1.043","","","","has coordinates","284271","2023-06-05","04:27:45",""
"7246711","7.2548","0.0005","9.0844","0.0006","9.5457","0.0005","99.864","0.003","99.082","0.003","107.888","0.003","574.8","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N O3 -","- C12 H14 N O3 -","- C24 H28 N2 O6 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0465","0.0443","","","0.1235","0.1264","","","","","","1.065","","","","has coordinates","284271","2023-06-05","04:27:55",""
"7246712","9.931","0.0007","10.0681","0.0006","12.1027","0.0008","90","","99.78","0.004","90","","1192.52","0.14","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C48 H56 N4 O14 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0472","0.0404","","","0.1043","0.1108","","","","","","1.04","","","","has coordinates","284271","2023-06-05","04:27:57",""
"7246713","10.2189","0.0006","13.8655","0.001","16.3778","0.001","90","","93.473","0.003","90","","2316.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0447","0.0395","","","0.1139","0.1208","","","","","","1.064","","","","has coordinates","284271","2023-06-05","04:28:01",""
"7246714","21.6511","0.0017","6.9602","0.0006","5.9635","0.0005","90","","90","","90","","898.68","0.13","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine chloride","","- C6 H12 Cl0.95 I1.05 N2 -","- C6 H12 Cl0.9528 I1.0472 N2 -","- C24 H48 Cl3.8112 I4.1888 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.049","0.0291","","","0.0563","0.0608","","","","","","1.046","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246715","21.6028","0.0009","7.1603","0.0003","5.9684","0.0002","90","","90","","90","","923.21","0.06","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine bromide","","- C6 H12 Br0.96 I0.98 N2 -","- C6 H12 Br0.957 I0.983 N2 -","- C24 H48 Br3.828 I3.932 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.0157","0.0141","","","0.0284","0.0287","","","","","","1.105","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246716","29.742","0.003","4.0442","0.0004","21.075","0.002","90","","114.857","0.003","90","","2300.1","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenazine iodine bromide","","- C12 H8 Br I N2 -","- C12 H8 Br I N2 -","- C96 H64 Br8 I8 N16 -","8","1","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.061","0.0403","","","0.0788","0.0864","","","","","","1.037","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246730","6.8819","0.0004","18.2382","0.001","8.3735","0.0005","90","","101.22","0.002","90","","1030.9","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C48 H50 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0401","0.0346","","","0.0796","0.0839","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:10",""
"7246731","19.673","0.007","7.589","0.002","27.281","0.007","90","","90","","90","","4073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O -","- C24 H24 F N3 O -","- C192 H192 F8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1827","0.0749","","","0.1566","0.2194","","","","","","1.034","","","","has coordinates","284914","2023-07-05","10:06:14",""
"7246732","21.3712","0.0007","10.6818","0.0003","19.0014","0.0006","90","","97.424","0.001","90","","4301.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N3 O -","- C24 H24 Br N3 O -","- C192 H192 Br8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0826","0.0503","","","0.1295","0.1504","","","","","","1.042","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246733","10.7226","0.0008","13.7126","0.0011","14.8083","0.0013","90","","93.229","0.003","90","","2173.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N3 O -","- C24 H24 Cl N3 O -","- C96 H96 Cl4 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0829","0.0486","","","0.1063","0.1262","","","","","","1.033","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246734","15.3952","0.001","31.5081","0.0017","9.8531","0.0006","90","","90","","90","","4779.5","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C200 H216 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1147","0.0641","","","0.1607","0.1887","","","","","","1.03","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246735","11.0228","0.0014","11.0661","0.0013","19.024","0.003","80.438","0.004","87.096","0.004","85.625","0.004","2279.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C104 H108 N12 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0693","0.0479","","","0.1174","0.1338","","","","","","1.05","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246736","9.4961","0.0003","16.3124","0.0005","17.0312","0.0006","75.852","0.001","84.434","0.001","78.983","0.001","2507.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F6 N3 O -","- C26 H23 F6 N3 O -","- C104 H92 F24 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0811","0.0499","","","0.1192","0.1418","","","","","","1.032","","","","has coordinates,has disorder","284914","2023-07-05","10:06:17",""
"7246737","10.8627","0.0003","10.9176","0.0003","10.9887","0.0004","80.548","0.001","87.969","0.001","61.512","0.001","1128.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C52 H58 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0733","0.0566","","","0.1564","0.1747","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246738","7.8031","0.0003","10.8097","0.0004","13.6803","0.0005","104.082","0.001","92.947","0.001","108.109","0.001","1053.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O -","- C25 H24 N4 O -","- C50 H48 N8 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0743","0.0577","","","0.154","0.1689","","","","","","1.061","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246739","10.73","0.0009","13.6341","0.001","14.815","0.0014","90","","90.254","0.003","90","","2167.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0792","0.0487","","","0.1011","0.1224","","","","","","1.071","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246740","10.468","0.004","5.3181","0.0019","12.162","0.005","90","","104.68","0.04","90","","655","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0903","0.0513","","","0.1209","0.1395","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:23",""
"7246741","11.8318","0.0007","5.8252","0.0003","13.9008","0.0008","90","","113.879","0.007","90","","876.07","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0659","0.0581","","","0.1563","0.162","","","","","","1.068","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246742","11.2568","0.0008","5.7371","0.0003","22.5561","0.0018","90","","103.029","0.008","90","","1419.2","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1258","0.0809","","","0.1781","0.199","","","","","","1.096","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246743","8.4198","0.0011","5.8428","0.0007","8.6049","0.0009","90","","91.92","0.011","90","","423.08","0.09","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0352","0.0325","","","0.0822","0.0834","","","","","","1.082","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246744","7.737","0.0014","10.7279","0.0012","11.583","0.002","63.137","0.016","86.083","0.015","84.134","0.013","852.9","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0438","0.0405","","","0.1019","0.1045","","","","","","1.048","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246745","10.1357","0.0007","17.1919","0.0016","9.1265","0.0007","90","","90","","90","","1590.3","0.2","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0779","0.0567","","","0.1433","0.1544","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246746","5.7579","0.0008","19.399","0.003","27.176","0.003","90","","90.64","0.012","90","","3035.3","0.7","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C120 H152 N8 O48 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1125","0.0819","","","0.1907","0.2203","","","","","","1.099","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7246747","7.0457","0.0014","8.2146","0.0009","13.342","0.003","106.407","0.014","90.268","0.016","106.101","0.014","708.8","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O5 -","- C13 H16 Cl N O5 -","- C26 H32 Cl2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0782","0.0577","","","0.1343","0.1441","","","","","","1.059","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246748","10.4273","0.0003","9.0611","0.0003","30.1865","0.001","90","","90","","90","","2852.11","0.16","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C112 H152 N8 O40 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0714","0.0531","","","0.135","0.1453","","","","","","1.038","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246749","9.4241","0.0007","37.399","0.002","10.4169","0.0011","90","","90.501","0.008","90","","3671.3","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C144 H216 N8 O32 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0994","0.0611","","","0.141","0.1631","","","","","","1.065","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246750","5.9135","0.0003","18.547","0.0009","31.3947","0.0016","90","","94.307","0.005","90","","3433.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 F2 N2 O6 -","- C38 H40 F2 N2 O6 -","- C152 H160 F8 N8 O24 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1154","0.0707","","","0.1271","0.1414","","","","","","1.143","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246751","11.8613","0.0014","5.7602","0.0007","13.2858","0.0014","90","","110.458","0.012","90","","850.48","0.18","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 F N2 O5 -","- C16 H21 F N2 O5 -","- C32 H42 F2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1045","0.0642","","","0.1171","0.1298","","","","","","1.077","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246752","9.8806","0.0018","9.6156","0.0019","25.364","0.006","90","","90","","90","","2409.8","0.9","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C80 H136 N8 O48 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1073","0.0819","","","0.1632","0.1773","","","","","","1.151","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246753","7.406","0.005","8.459","0.002","12.281","0.007","102.89","0.04","101.66","0.06","103.44","0.04","702.8","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C26 H32 F2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1647","0.0706","","","0.1209","0.1526","","","","","","1.002","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246754","7.0962","0.0013","8.306","0.002","12.12","0.003","103.74","0.02","99.82","0.018","105.63","0.02","646.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C26 H34 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0715","0.059","","","0.1638","0.174","","","","","","1.068","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246755","16.6605","0.0013","9.1572","0.0005","11.4407","0.0008","90","","109.81","0.008","90","","1642.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1053","0.0685","","","0.1778","0.1993","","","","","","1.062","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246756","12.591","0.002","8.7414","0.0012","12.6758","0.0014","90","","104.824","0.014","90","","1348.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C52 H64 F4 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.07","0.0526","","","0.119","0.1267","","","","","","1.131","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246767","8.5539","0.0004","11.9045","0.0005","14.8119","0.0007","95.587","0.001","101.681","0.001","107.046","0.001","1392.25","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu2 N6 O14 -","- C22 H28 Cu2 N6 O14 -","- C44 H56 Cu4 N12 O28 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0754","0.0512","","","0.1317","0.1456","","","","","","1.052","","","","has coordinates,has disorder","284919","2023-07-05","10:08:41",""
"7246768","9.2018","0.0007","10.6192","0.0006","12.7553","0.0009","90","","93.716","0.002","90","","1243.77","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu3 N6 O12 -","- C22 H22 Cu3 N6 O12 -","- C44 H44 Cu6 N12 O24 -","2","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0783","0.0427","","","0.0866","0.0984","","","","","","1.03","","","","has coordinates","284919","2023-07-05","10:08:44",""
"7246769","10.1143","0.001","11.1349","0.0011","14.8056","0.0016","107.017","0.004","109.383","0.004","93.002","0.003","1483.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","1","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0647","0.0517","","","0.1376","0.1476","","","","","","1.017","","","","has coordinates","284919","2023-07-05","10:08:47",""
"7246770","7.5089","0.001","10.85","0.0012","26.819","0.004","90","","90.841","0.004","90","","2184.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu2 N6 O8 -","- C22 H16 Cu2 N6 O8 -","- C88 H64 Cu8 N24 O32 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1705","0.0744","","","0.1278","0.1598","","","","","","1.029","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246771","13.8496","0.0003","12.6696","0.0003","17.0775","0.0003","90","","96.397","0.001","90","","2977.91","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N6 O16 -","- C22 H32 Cu2 N6 O16 -","- C88 H128 Cu8 N24 O64 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0486","0.0342","","","0.0792","0.0861","","","","","","1.024","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246772","10.5315","0.0003","15.0888","0.0005","21.2924","0.0007","74.155","0.001","86.294","0.001","81.889","0.001","3221.19","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H67 Cu4 N17 O17 -","- C55 H67 Cu4 N17 O17 -","- C110 H134 Cu8 N34 O34 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1004","0.0629","","","0.1136","0.1271","","","","","","1.066","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246781","12.1553","0.0005","8.8076","0.0003","22.304","0.0007","90","","94.608","0.003","90","","2380.13","0.15","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28.33 N4 O8.16 -","- C23 H28.326 N4 O8.163 -","- C92 H113.304 N16 O32.652 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.0532","0.0425","","","0.1034","0.1115","","","","","","1.023","","","","has coordinates,has disorder","284924","2023-07-05","10:12:30",""
"7246782","7.0878","0.0006","7.5969","0.0007","18.9464","0.0014","91.152","0.007","98.566","0.007","103.763","0.008","978.19","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N6 O7 -","- C19 H22 N6 O7 -","- C38 H44 N12 O14 -","2","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1172","0.0757","","","0.1892","0.2146","","","","","","1.055","","","","has coordinates","284924","2023-07-05","10:12:33",""
"7246783","7.0172","0.0003","28.2186","0.0013","10.7877","0.0005","90","","103.469","0.005","90","","2077.38","0.17","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C84 H96 N16 O28 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.1104","0.0659","","","0.1345","0.1671","","","","","","1.04","","","","has coordinates","284924","2023-07-05","10:12:35",""
"7246784","25.4626","0.0013","9.2831","0.0004","19.554","0.0011","90","","111.922","0.006","90","","4287.8","0.4","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TMP-26HBA","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C168 H192 N32 O56 -","8","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1035","0.0603","","","0.1291","0.1585","","","","","","1.059","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246785","11.2636","0.001","20.7045","0.0013","12.0759","0.0011","90","","117.535","0.011","90","","2497.2","0.4","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TMP-GA-2MeOH","","- C23 H32 N4 O10 -","- C23 H32 N4 O10 -","- C92 H128 N16 O40 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.0862","0.056","","","0.1255","0.1473","","","","","","1.054","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246786","12.2681","0.0013","34.536","0.004","9.8498","0.0013","90","","100.837","0.005","90","","4098.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide Form IV","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C144 H120 F36 N36 O48 -","12","3","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.2044","0.0732","","","0.1279","0.175","","","","","","1.031","","","","has coordinates,has disorder","284913","2023-07-05","10:05:32",""
"7246787","7.1966","0.0005","16.2038","0.0012","22.6209","0.0015","90","","94.633","0.002","90","","2629.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Nilutamide- Form V","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C96 H80 F24 N24 O32 -","8","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.1122","0.044","","","0.0851","0.107","","","","","","1.001","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246788","10.2797","0.001","11.1802","0.0011","13.2382","0.0013","86.915","0.003","73.762","0.003","68.854","0.003","1360.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nilutamide Hydrate (1:0.57)","","","- C12 H10.57 F3 N3 O4.29 -","- C12 H10.57 F3 N3 O4.285 -","- C48 H42.28 F12 N12 O17.14 -","4","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0667","0.0395","","","0.0902","0.1021","","","","","","1.023","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246789","7.3886","0.0005","12.2118","0.0008","20.8355","0.0013","90","","98.845","0.003","90","","1857.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide-Adenine cocrystal","","","- C17 H15 F3 N8 O4 -","- C17 H15 F3 N8 O4 -","- C68 H60 F12 N32 O16 -","4","1","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0751","0.0704","","","0.1671","0.1691","","","","","","1.167","","","","has coordinates,has disorder","284913","2023-07-05","10:05:33",""
"7246797","20.777","0.003","10.2704","0.0015","16.306","0.002","90","","105.52","0.005","90","","3352.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.03","0.0251","","","0.0664","0.0704","","","","","","1.089","","","","has coordinates","284922","2023-07-05","10:10:20",""
"7246798","20.72","0.003","10.2647","0.0014","16.365","0.002","90","","105.495","0.005","90","","3354.1","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0315","0.0256","","","0.0686","0.0735","","","","","","1.078","","","","has coordinates","284922","2023-07-05","10:10:22",""
"7246799","20.676","0.003","10.2639","0.0013","16.439","0.002","90","","105.457","0.004","90","","3362.4","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0365","0.0293","","","0.0769","0.0831","","","","","","1.074","","","","has coordinates","284922","2023-07-05","10:10:41",""
"7246800","20.634","0.002","10.2655","0.0012","16.499","0.0019","90","","105.415","0.004","90","","3369.1","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0494","0.0357","","","0.0917","0.1031","","","","","","1.07","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246801","20.439","0.003","10.2687","0.0017","16.814","0.003","90","","105.349","0.006","90","","3403.1","1","396","2","400","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0517","0.0296","","","0.0859","0.1023","","","","","","1.051","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246802","20.376","0.003","10.2653","0.0014","16.928","0.002","90","","105.342","0.005","90","","3414.6","0.8","450","2","450","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0664","0.0344","","","0.097","0.1194","","","","","","1.049","","","","has coordinates,has disorder","284922","2023-07-05","10:10:47",""
"7246803","20.504","0.003","10.2634","0.0013","16.711","0.002","90","","105.36","0.005","90","","3391.1","0.8","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.056","0.0317","","","0.0897","0.1079","","","","","","1.054","","","","has coordinates,has disorder","284922","2023-07-05","10:10:50",""
"7246804","20.57","0.002","10.2665","0.0012","16.5997","0.0018","90","","105.387","0.004","90","","3379.9","0.6","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0561","0.0331","","","0.0943","0.1105","","","","","","1.087","","","","has coordinates,has disorder","284922","2023-07-05","10:10:53",""
"7246805","5.355","0.003","8.831","0.003","11.415","0.004","90","","90.79","0.03","90","","539.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","1","","Wojtaś, Maciej; Bednarchuk, Tamara J.; Bdikin, Igor","New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity","CrystEngComm","2023","25","25","3609","3617","10.1039/D3CE00308F","","","0.71073","MoKα","","0.0504","0.0447","","","0.1118","0.1154","","","","","","1.052","","","","has coordinates","284920","2023-07-05","10:09:01",""
"7246806","7.7358","0.0005","14.8013","0.0009","20.4291","0.0012","104.624","0.005","95.034","0.005","94.905","0.005","2240.5","0.2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Name eingeben","EDOT-Amide-TPA","","- C50 H48 N4 O9 S2 -","- C50 H48 N4 O9 S2 -","- C100 H96 N8 O18 S4 -","2","1","","Wolf, Florian; Sirtl, Maximilian T.; Klenk, Sebastian; Wurzenberger, Maximilian H. H.; Armer, Melina; Dörflinger, Patrick; Ganswindt, Patrick; Guntermann, Roman; Dyakonov, Vladimir; Bein, Thomas","Behind the scenes: insights into the structural properties of amide-based hole-transporting materials for lead-free perovskite solar cells","CrystEngComm","2023","25","21","3142","3149","10.1039/D2CE01512A","","x-ray","0.71073","MoKα","","0.1323","0.0627","","","0.0921","0.1162","","","","","","0.992","","","","has coordinates","284275","2023-06-05","04:28:37",""
"7246816","10.8178","0.0003","10.8178","0.0003","33.0213","0.0013","90","","90","","120","","3346.59","0.19","250","0.3","250","0.3","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0538","0.0484","","","0.1133","0.1166","","","","","","1.086","","","","has coordinates,has disorder","284916","2023-07-05","10:07:16",""
"7246817","10.7307","0.0002","10.7307","0.0002","31.9228","0.0009","90","","90","","120","","3183.37","0.12","80.4","0.12","80.4","0.12","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0333","0.0302","","","0.0594","0.0604","","","","","","1.135","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246818","11.7873","0.0013","10.8372","0.0006","21.595","0.003","90.927","0.007","131.808","0.015","89.563","0.007","2055.9","0.6","80.7","0.7","80.7","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C48 H96 B4 F16 Fe1.3 N48 Ru0.7 -","2","1","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.1539","0.0753","","","0.141","0.1617","","","","","","0.903","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246819","21.411","0.002","16.5319","0.0015","13.6853","0.0013","90","","105.095","0.001","90","","4677","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O31 -","- C36 H36 Cd3 N4 O31 -","- C144 H144 Cd12 N16 O124 -","4","0.5","","Ning, Shigang; Yan, Bingcheng; Wu, Junrong; Chen, Sen; Chen, Weipeng; Tian, Hongju; Zhang, Shaowei","A stable 2D luminescent metal–organic framework as a highly sensitive sensor for Fe3+ and Cr2O72−/CrO42− in water","CrystEngComm","2023","25","24","3539","3547","10.1039/D3CE00370A","","","0.71073","MoKα","","0.0575","0.0413","","","0.1013","0.1129","","","","","","1.026","","","","has coordinates","284912","2023-07-05","10:05:19",""
"7246822","11.5055","0.0003","11.9465","0.0003","11.9621","0.0003","63.454","0.001","78.323","0.001","62.154","0.001","1300.5","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0687","0.0422","","","0.1081","0.1143","","","","","","0.963","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246823","11.4616","0.0006","11.9174","0.0006","11.9565","0.0006","64.094","0.002","78.975","0.002","62.088","0.002","1297.97","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0006 Br1.0006 N2 O4 S2 -","- C60 H46.0012 Br2.0012 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0816","0.0693","","","0.1928","0.2008","","","","","","1.115","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246824","20.1661","0.0011","11.754","0.0011","14.9001","0.0012","90","","131.943","0.005","90","","2627","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","0.5","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1315","0.1082","","","0.2874","0.3122","","","","","","1.122","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246825","11.526","0.001","11.806","0.0011","12.2903","0.0011","63.453","0.004","78.22","0.004","61.19","0.003","1310.8","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0003 Br1.0003 N2 O4 S2 -","- C60 H46.0006 Br2.0006 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1635","0.1331","","","0.4123","0.4426","","","","","","1.913","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246826","9.6809","0.0003","8.4899","0.0003","31.9397","0.001","90","","96.48","0.001","90","","2608.35","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0325","0.0305","","","0.0754","0.0766","","","","","","1.053","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246827","11.5018","0.0005","11.936","0.0005","11.9547","0.0005","63.482","0.001","78.39","0.002","62.15","0.001","1298.39","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0446","0.0387","","","0.1104","0.1143","","","","","","1.114","","","","has coordinates,has disorder","286089","2023-09-05","19:35:59",""
"7246828","14.1064","0.0007","23.6828","0.0012","17.4985","0.0009","90","","90","","90","","5845.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H63 N4 O12.5 -","- C45 H63 N4 O12.5 -","- C180 H252 N16 O50 -","4","2","","Xu, Yiming; Chen, Kui; Ju, Xiang; Wu, Bin; Li, Xiaoting; Ji, Lijun; Wu, Yanyang","The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin","CrystEngComm","2023","25","25","3662","3673","10.1039/D3CE00300K","","","1.54178","CuKα","","0.0492","0.0462","","","0.1324","0.1363","","","","","","1.052","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246836","14.3393","0.0003","13.6235","0.0003","18.0779","0.0004","90","","105.504","0.002","90","","3403.04","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 Nd2 O49 -","- C36 H68 N31 Nd2 O49 -","- C72 H136 N62 Nd4 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0267","0.0228","","","0.0521","0.0535","","","","","","1.049","","","","has coordinates,has disorder","284923","2023-07-05","10:11:52",""
"7246837","14.3566","0.0004","13.5936","0.0004","18.0138","0.0005","90","","105.343","0.003","90","","3390.24","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 O49 Sm2 -","- C36 H68 N31 O49 Sm2 -","- C72 H136 N62 O98 Sm4 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.03","0.0247","","","0.0569","0.0591","","","","","","1.051","","","","has coordinates,has disorder","284923","2023-07-05","10:11:55",""
"7246838","14.36","0.002","13.586","0.003","17.933","0.003","90","","105.395","0.002","90","","3373.1","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 Gd2 N31 O49 -","- C36 H68 Gd2 N31 O49 -","- C72 H136 Gd4 N62 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.032","0.0312","","","0.08","0.0806","","","","","","1.042","","","","has coordinates,has disorder","284923","2023-07-05","10:11:58",""
"7246839","25.7641","0.0004","25.7641","0.0004","31.6786","0.0006","90","","90","","120","","18210.7","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Dy2 N32 O63 -","- C36 H36 Dy2 N32 O62.9998 -","- C324 H324 Dy18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0331","0.0303","","","0.0874","0.0891","","","","","","1.068","","","","has coordinates,has disorder","284923","2023-07-05","10:12:01",""
"7246840","13.42009","0.00018","14.43599","0.00018","18.2561","0.0002","73.8067","0.0011","87.3433","0.0011","87.7224","0.0011","3391.5","0.07","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 Eu2 N31 O49 -","- C36 H69 Eu2 N31 O49 -","- C72 H138 Eu4 N62 O98 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0549","0.0564","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246841","13.386","0.003","14.4235","0.0013","18.1775","0.0013","73.769","0.002","87.34","0.004","87.608","0.005","3364.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 N31 O49 Tb2 -","- C36 H69 N31 O49 Tb2 -","- C72 H138 N62 O98 Tb4 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.0387","0.0363","","","0.0994","0.1011","","","","","","1.067","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246842","25.8081","0.0006","25.8081","0.0006","31.7446","0.0009","90","","90","","120","","18311","0.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Er2 N32 O63 -","- C36 H36 Er2 N32 O62.9998 -","- C324 H324 Er18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0266","0.0254","","","0.0695","0.0704","","","","","","1.062","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246843","25.8703","0.0006","25.8703","0.0006","31.8766","0.0008","90","","90","","120","","18475.9","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Ho2 N32 O63 -","- C36 H36 Ho2 N32 O62.9978 -","- C324 H324 Ho18 N288 O566.98 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0858","0.0882","","","","","","1.058","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246844","25.7946","0.0004","25.7946","0.0004","31.7638","0.0006","90","","90","","120","","18302.9","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 N32 O63 Yb2 -","- C36 H36 N32 O63.0018 Yb2 -","- C324 H324 N288 O567.016 Yb18 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.71073","MoKα","","0.0455","0.0334","","","0.0923","0.0963","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246861","11.1702","0.0001","12.6477","0.0001","23.5283","0.0003","90","","92.215","0.001","90","","3321.53","0.06","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0592","0.0552","","","0.1516","0.1554","","","","","","1.068","","","","has coordinates","286084","2023-09-05","19:33:50",""
"7246862","11.387","0.0001","12.606","0.0001","23.8251","0.0002","90","","90.177","0.001","90","","3419.95","0.05","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0584","0.0529","","","0.1417","0.1456","","","","","","1.116","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246863","11.47081","0.00014","12.93413","0.00016","23.8498","0.0003","90","","92.8489","0.0011","90","","3534.1","0.08","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0573","0.0528","","","0.1453","0.1499","","","","","","1.09","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246864","11.2214","0.0001","12.689","0.0001","23.7424","0.0002","90","","90.033","0.001","90","","3380.64","0.05","150","0.5","150","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Fe I N4 O3 -","- C35 H44 Fe I N4 O3 -","- C140 H176 Fe4 I4 N16 O12 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0474","0.0447","","","0.1203","0.1221","","","","","","1.093","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246865","11.37248","0.00011","13.01255","0.00013","23.3736","0.0002","90","","93.9098","0.0008","90","","3450.89","0.06","130","0.5","130","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0566","0.054","","","0.1429","0.1458","","","","","","1.04","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246866","11.38862","0.00017","13.0145","0.0002","23.4046","0.0004","90","","93.6869","0.0014","90","","3461.78","0.1","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0701","0.0663","","","0.1849","0.189","","","","","","1.056","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246867","11.54644","0.00013","13.04848","0.00016","23.9438","0.0003","90","","93.0092","0.001","90","","3602.48","0.08","295.9","","295.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.064","0.0552","","","0.1551","0.1632","","","","","","1.0275","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246868","7.3227","0.0009","8.995","0.0014","15.321","0.002","90","","103.442","0.006","90","","981.5","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl N3 Se -","- C8 H10 Cl N3 Se -","- C32 H40 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0294","0.0265","","","0.0648","0.0689","","","","","","1.241","","","","has coordinates","284917","2023-07-05","10:07:32",""
"7246869","7.8986","0.0015","14.662","0.004","9.851","0.004","90","","111.161","0.015","90","","1063.9","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O Se -","- C7 H10 Cl N5 O Se -","- C28 H40 Cl4 N20 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0455","0.0387","","","0.1028","0.1063","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:07:43",""
"7246870","6.9994","0.001","8.8877","0.001","20.694","0.005","90","","90","","90","","1287.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N3 O Se -","- C13 H12 Cl N3 O Se -","- C52 H48 Cl4 N12 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0383","0.0334","","","0.0836","0.0858","","","","","","1.015","","","","has coordinates","284917","2023-07-05","10:07:47",""
"7246871","5.3306","0.0007","14.043","0.004","16.798","0.002","90","","93.025","0.004","90","","1255.7","0.4","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl N3 O2 Se -","- C10 H14 Cl N3 O2 Se -","- C40 H56 Cl4 N12 O8 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0396","0.0286","","","0.0576","0.0609","","","","","","1.025","","","","has coordinates","284917","2023-07-05","10:07:58",""
"7246872","11.922","0.004","6.546","0.003","14.62","0.005","90","","108.226","0.016","90","","1083.7","0.7","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C9 H11 Cl N4 Se -","- C9 H11 Cl N4 Se -","- C36 H44 Cl4 N16 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0481","0.0338","","","0.0786","0.0888","","","","","","1.027","","","","has coordinates","284917","2023-07-05","10:08:02",""
"7246873","6.8384","0.0015","9.403","0.002","10.236","0.002","67.561","0.009","74.848","0.01","70.534","0.011","566.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cl N3 O4 Se -","- C8 H10 Cl N3 O4 Se -","- C16 H20 Cl2 N6 O8 Se2 -","2","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0232","0.0212","","","0.0497","0.0504","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246874","7.811","0.004","7.811","","23.699","0.008","90","","90","","90","","1445.9","0.9","300","","300","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H12 Cl N3 Se -","- C16 H12 Cl N3 Se -","- C64 H48 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0348","0.0331","","","0.0858","0.0866","","","","","","1.114","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246875","15.3881","0.0006","9.8662","0.0003","18.2499","0.0008","90","","105.566","0.001","90","","2669.11","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N3 Se -","- C32 H30 B N3 Se -","- C128 H120 B4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.061","0.048","","","0.123","0.1296","","","","","","1.049","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246878","9.8173","0.0004","12.9566","0.0006","14.7156","0.0004","90","","101.124","0.002","90","","1836.64","0.12","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Ag B F4 N4 O4 -","- C18 H12 Ag B F4 N4 O4 -","- C72 H48 Ag4 B4 F16 N16 O16 -","4","0.5","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","","0.71073","MoKα","","0.035","0.0295","","","0.0671","0.0697","","","","","","1.115","","","","has coordinates","286095","2023-09-05","19:37:04",""
"7246879","10.048","0.0002","16.8535","0.0002","14.5843","0.0002","90","","98.505","0.002","90","","2442.6","0.07","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C80 H64 Ag8 B8 F32 N16 O8 -","8","1","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","x-ray","1.54184","CuKα","","0.0508","0.0462","","","0.1285","0.1329","","","","","","1.072","","","","has coordinates","286095","2023-09-05","19:37:05",""
"7246880","7.5657","0.0015","11.619","0.002","25.402","0.005","90","","90","","90","","2233","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0431","0.0404","","","0.1049","0.1072","","","","","","1.084","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246881","7.3489","0.0015","14.605","0.003","19.983","0.004","90","","90","","90","","2144.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0599","0.0416","","","0.0986","0.109","","","","","","1.05","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246882","6.2259","0.0012","7.1884","0.0014","23.607","0.005","90","","90","","90","","1056.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0376","0.0328","","","0.0752","0.0774","","","","","","1.062","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246883","6.8817","0.0014","8.3267","0.0017","10.789","0.002","83.96","0.03","76.71","0.03","70.02","0.03","565.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O5 -","- C10 H11 N3 O5 -","- C20 H22 N6 O10 -","2","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0592","0.0432","","","0.0978","0.1058","","","","","","1.031","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246884","10.812","0.002","18.958","0.004","7.114","0.0014","90","","116.03","0.03","90","","1310.3","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C56 H72 Co4 N8 O20 -","4","0.5","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0518","0.0506","","","0.1546","0.1556","","","","","","1.188","","","","has coordinates","286088","2023-09-05","19:35:42",""
"7246885","9.655","0.0019","16.355","0.003","11.069","0.002","90","","110.97","0.03","90","","1632.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N2 O5 -","- C18 H14 Co N2 O5 -","- C72 H56 Co4 N8 O20 -","4","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0529","0.0491","","","0.1533","0.1563","","","","","","1.191","","","","has coordinates","286088","2023-09-05","19:35:43",""
"7246886","12.0754","0.0003","10.5591","0.0003","8.8651","0.0003","90","","90","","90","","1130.35","0.06","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C6 N16 -","- C6 N16 -","- C24 N64 -","4","1","","Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris","2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound","CrystEngComm","2023","25","27","3866","3869","10.1039/D3CE00563A","","","1.54184","CuKα","","0.0444","0.0409","","","0.0991","0.1015","","","","","","1.064","","","","has coordinates","286094","2023-09-05","19:36:53",""
"7246887","17.0985","0.0006","17.0985","0.0006","42.1074","0.0017","90","","90","","90","","12310.5","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cl2 Co N4 -","- C26 H28 Cl2 Co N4 -","- C416 H448 Cl32 Co16 N64 -","16","1","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0979","0.0725","","","0.2139","0.2397","","","","","","1.061","","","","has coordinates","286086","2023-09-05","19:35:15",""
"7246888","21.0837","0.0009","11.4677","0.0005","19.6425","0.0013","90","","119.297","0.002","90","","4141.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0445","0.0382","","","0.0962","0.1002","","","","","","1.06","","","","has coordinates,has disorder","286086","2023-09-05","19:35:26",""
"7246889","7.1842","0.0003","14.4765","0.0005","15.9555","0.0004","68.871","0.003","78.281","0.003","79.368","0.003","1504.29","0.1","297.24","0.1","297.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl N10 O7 -","- C28 H29 Cl N10 O7 -","- C56 H58 Cl2 N20 O14 -","2","1","","Wang, Zhi-Qing; Dai, Xia-Lin; Gu, Dai-Lin; Wu, Chao; Lu, Tong-Bu; Long, Xiang-Tian; Chen, Jia-Mei","Cocrystallization of lenvatinib and temozolomide to improve the performance in terms of stability, dissolution, and tabletability","CrystEngComm","2023","25","29","4189","4198","10.1039/D3CE00473B","","","1.54184","CuKα","","0.0707","0.05","","","0.1317","0.1482","","","","","","1.099","","","","has coordinates,has disorder","286079","2023-09-05","19:31:54",""
"7246890","12.0309","0.0008","13.9974","0.0009","14.7291","0.0009","103.276","0.001","106.729","0.001","110.009","0.001","2078.4","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0444","0.0411","","","0.1139","0.1163","","","","","","1.074","","","","has coordinates,has disorder","286096","2023-09-05","19:37:13",""
"7246891","11.944","0.0003","13.794","0.0004","14.6825","0.0004","102.637","0.001","106","","110.82","","2033.94","0.1","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0354","","","0.1025","0.1061","","","","","","1.033","","","","has coordinates,has disorder","286096","2023-09-05","19:37:14",""
"7246892","11.976","0.004","9.343","0.003","21.923","0.007","90","","97.91","0.005","90","","2429.7","1.4","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H29 Cl N4 O6 Zn -","- C22 H16 Cl N3 O3 Zn -","- C88 H64 Cl4 N12 O12 Zn4 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.056","0.0468","","","0.1002","0.1034","","","","","","1.0203","","","","has coordinates","286082","2023-09-05","19:32:43",""
"7246893","12.8121","0.0019","21.163","0.003","15.335","0.002","90","","113.952","0.002","90","","3799.9","0.9","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H79 Cl1.5 N13 O16.7 Zn3 -","- C78 H79 Cl1.5 N13 O16.702 Zn3 -","- C156 H158 Cl3 N26 O33.404 Zn6 -","2","0.5","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0808","0.0585","","","0.1562","0.1703","","","","","","1.023","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246894","15.521","0.007","21.92","0.011","23.657","0.011","90","","101.131","0.006","90","","7897","6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.78 H76.08 B F4 N13.89 O18.94 Zn3 -","- C77.7736 H76.0746 B F4 N13.8884 O18.9434 Zn3 -","- C311.094 H304.298 B4 F16 N55.5536 O75.7736 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0945","0.0539","","","0.1359","0.1551","","","","","","1.017","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246895","15.5019","0.0012","21.9566","0.0017","23.6652","0.0018","90","","101.326","0.001","90","","7898","1.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Cl N14 O23.11 Zn3 -","- C78 H78 Cl N14 O23.098 Zn3 -","- C312 H312 Cl4 N56 O92.392 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0864","0.06","","","0.1524","0.1673","","","","","","1.046","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246896","16.2967","0.0005","6.5799","0.0003","11.8991","0.0005","90","","126.545","0.003","90","","1025.08","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H8 B9 I N2 -","- C H8 B9 I N2 -","- C4 H32 B36 I4 N8 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.041","0.0345","","","0.0834","0.087","","","","","","1.083","","","","has coordinates","286112","2023-09-05","19:41:31",""
"7246897","6.4442","0.0005","8.1244","0.0007","10.6645","0.0008","85.078","0.005","82.012","0.005","74.701","0.003","532.62","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H15 B9 S -","- C3 H15 B9 S -","- C6 H30 B18 S2 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.1233","0.0995","","","0.288","0.3007","","","","","","1.234","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246898","9.9849","0.0002","14.325","0.0003","10.8831","0.0002","90","","102.415","0.001","90","","1520.25","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Cl2 N -","- C7 H16 B9 Cl2 N -","- C28 H64 B36 Cl8 N4 -","4","2","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0591","0.0482","","","0.1184","0.125","","","","","","1.04","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246899","10.1476","0.0004","10.8518","0.0005","13.7392","0.0006","90","","130.476","0.003","90","","1150.87","0.1","195","2","195","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 B9 N -","- C6 H14 B9 N -","- C24 H56 B36 N4 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0662","0.0564","","","0.1502","0.1613","","","","","","1.024","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246900","9.0602","0.0001","16.8803","0.0001","22.9672","0.0002","104.577","0.005","92.623","0.004","90.179","0.005","3395.56","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H110 B18 Br2 N10 -","- C46 H110 B18 Br2 N10 -","- C92 H220 B36 Br4 N20 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0754","0.0579","","","0.1417","0.1563","","","","","","1.022","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246901","25.773","0.0019","7.57","0.0003","19.9962","0.0011","90","","111.128","0.008","90","","3639","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C128 H144 O16 P8 S16 Tl8 -","8","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0996","0.1096","","","","","","0.828","","","","has coordinates","286111","2023-09-05","19:41:18",""
"7246902","10.5578","0.0007","8.6342","0.0004","19.878","0.0013","90","","101.343","0.006","90","","1776.65","0.19","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C64 H72 O8 P4 S8 Tl4 -","4","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0926","0.0576","","","0.126","0.1577","","","","","","0.99","","","","has coordinates","286111","2023-09-05","19:41:21",""
"7246903","11.6052","0.0007","15.1797","0.001","12.7681","0.0013","90","","116.773","0.003","90","","2008.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N2 O13 U -","- C12 H22 N2 O13 U -","- C48 H88 N8 O52 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0204","0.0187","","","0.0454","0.0464","","","","","","1.049","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246904","7.382","0.0005","23.3063","0.0018","8.5496","0.0007","90","","113.584","0.002","90","","1348.07","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O9 P U -","- C9 H13 O9 P U -","- C36 H52 O36 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0233","0.0224","","","0.0512","0.0516","","","","","","1.096","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246905","11.6822","0.0006","15.3912","0.0008","11.7959","0.0005","90","","115.56","0.0016","90","","1913.37","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O21 U2 -","- C22 H38 N8 O21 U2 -","- C44 H76 N16 O42 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0295","0.0292","","","0.0747","0.075","","","","","","1.04","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246906","12.4106","0.0007","17.241","0.0009","23.5189","0.0014","90","","102.782","0.002","90","","4907.7","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 N6 Ni O23 U2 -","- C40 H44 N6 Ni O23 U2 -","- C160 H176 N24 Ni4 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0927","0.0934","","","","","","1.069","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246907","11.3872","0.0004","11.5224","0.0004","12.7894","0.0005","114.797","0.0013","98.3735","0.0014","110.77","0.0013","1335.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0206","0.0186","","","0.0409","0.0417","","","","","","1.074","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246908","12.4847","0.0007","17.0888","0.0011","23.5455","0.0016","90","","103.131","0.002","90","","4892.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 Cu N6 O23 U2 -","- C40 H44 Cu N6 O23 U2 -","- C160 H176 Cu4 N24 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0296","0.0292","","","0.0704","0.0706","","","","","","1.044","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246909","11.4827","0.0004","14.2168","0.0005","17.799","0.0006","90","","92.2934","0.0015","90","","2903.31","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N O10 P U -","- C29 H30 N O10 P U -","- C116 H120 N4 O40 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0238","0.0206","","","0.0527","0.0554","","","","","","1.054","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246910","6.3646","0.0004","6.3135","0.0003","8.8975","0.0004","90","","110.334","0.006","90","","335.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","sodium vanadyl phosphate carbonate","trisodium vanadyl phosphate carbonate","","- C Na3 O8 P V -","- C Na3 O8 P V -","- C2 Na6 O16 P2 V2 -","2","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga","Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure","CrystEngComm","2023","25","28","4024","4032","10.1039/D3CE00323J","","","0.71073","MoKα","","0.0214","0.0204","","","0.0464","0.0468","","","","","","1.266","","","","has coordinates","286091","2023-09-05","19:36:15",""
"7246911","9.641","0.002","9.739","0.002","11.262","0.002","97.39","0.02","101.51","0.02","113.55","0.02","924","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C20 H40 N8 O20 P6 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0824","0.0426","","","0.1116","0.1255","","","","","","1.085","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246912","7.327","0.002","8.018","0.002","9.174","0.003","113.48","0.03","106.06","0.03","90.3","0.02","470.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C10 H20 N4 O12 P4 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0577","0.0536","","","0.1516","0.1579","","","","","","1.07","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246913","8.001","0.002","8.69","0.002","13.612","0.003","79.88","0.02","73.43","0.02","84.7","0.02","892.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0712","0.0666","","","0.194","0.1974","","","","","","1.118","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246914","12.014","0.002","13.556","0.002","12.259","0.002","90","","90","","90","","1996.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N6 O6 P2 -","- C15 H22 N6 O6 P2 -","- C60 H88 N24 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.029","0.0284","","","0.0751","0.0755","","","","","","1.046","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246915","12.0257","0.0013","14.6592","0.0014","12.1537","0.0011","90","","106.49","0.02","90","","2054.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 O14 P4 -","- C30 H48 N12 O14 P4 -","- C60 H96 N24 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0258","0.0253","","","0.0686","0.069","","","","","","1.056","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246916","10.6024","0.0014","13.234","0.002","13.848","0.002","73.1","0.02","81.56","0.02","81.96","0.02","1829.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N8 O20 P6 -","- C20 H40 N8 O20 P6 -","- C40 H80 N16 O40 P12 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0911","0.0455","","","0.1134","0.1282","","","","","","1.063","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7246917","7.9325","0.0003","7.8534","0.0004","15.8599","0.0008","90","","99.753","0.002","90","","973.75","0.08","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","0.71073","MoKα","","0.0853","0.074","","","0.2023","0.2152","","","","","","1.07","","","","has coordinates","286098","2023-09-05","19:37:35",""
"7246918","7.9376","0.0008","7.9412","0.0008","15.8417","0.0018","93.49","0.009","100.212","0.008","92.313","0.008","979.59","0.18","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","1.54178","CuKα","","0.1449","0.105","","","0.291","0.3339","","","","","","1.111","","","","has coordinates,has disorder","286098","2023-09-05","19:37:35",""
"7246919","18.6359","0.0006","11.9828","0.0006","17.9652","0.0007","90","","103.225","0.003","90","","3905.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C140 H128 Cl8 Cu4 N32 O24 S16 -","2","0.25","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0641","0.0437","","","0.1027","0.1122","","","","","","1.042","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246920","8.0501","0.0001","12.563","0.0002","12.6704","0.0002","68.686","0.001","78.062","0.001","89.674","0.001","1164.54","0.03","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Ag F6 N4 P S2 -","- C19 H18 Ag F6 N4 P S2 -","- C38 H36 Ag2 F12 N8 P2 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0358","0.0293","","","0.0678","0.0705","","","","","","1.039","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246921","7.9319","0.0003","23.068","0.001","11.7359","0.0005","90","","91.872","0.002","90","","2146.21","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag Cl2 N4 O3 S2 -","- C18 H17 Ag Cl2 N4 O3 S2 -","- C72 H68 Ag4 Cl8 N16 O12 S8 -","4","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1231","0.1014","","","0.2508","0.2663","","","","","","1.029","","","","has coordinates","286090","2023-09-05","19:36:08",""
"7246922","9.8728","0.0008","10.2889","0.0009","10.9536","0.0009","80.721","0.005","87.251","0.005","73.377","0.004","1052.22","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 Ag Cl3 N3 O4 S2 -","- C18 H17 Ag Cl3 N3 O4 S2 -","- C36 H34 Ag2 Cl6 N6 O8 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1505","0.1429","","","0.4537","0.4768","","","","","","1.009","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246923","13.2718","0.0001","9.2515","0.0001","27.958","0.0002","90","","90.371","0.001","90","","3432.72","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","monoclinic","","- C40 H43 N3 O7 Zn -","- C40 H43 N3 O7 Zn -","- C160 H172 N12 O28 Zn4 -","4","1","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","x-ray","1.54178","CuKα","","0.0295","0.0294","","","0.0793","0.0793","","","","","","1.063","","","","has coordinates","286093","2023-09-05","19:36:45",""
"7246924","17.1162","0.001","6.8868","0.0004","25.8217","0.0015","90","","98.038","0.002","90","","3013.9","0.3","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoclinic","","- C34 H30 N2 O6 Zn -","- C34 H30 N2 O6 Zn -","- C136 H120 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.045","0.0356","","","0.0866","0.0907","","","","","","1.087","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246925","16.874","0.003","6.9253","0.0011","28.607","0.005","90","","91.96","0.01","90","","3341","1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N2 O6 Zn -","- C38 H36 N2 O6 Zn -","- C152 H144 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.0716","0.0609","","","0.1728","0.1815","","","","","","1.109","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246926","9.867","0.0005","12.0062","0.0007","13.1276","0.0006","115.459","0.005","93.033","0.004","91.808","0.004","1399.63","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0398","0.0378","","","0.1062","0.1086","","","","","","1.063","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246927","9.8663","0.0003","11.9838","0.0006","13.1236","0.0005","115.559","0.004","93.042","0.003","91.661","0.003","1395.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0346","0.0323","","","0.0934","0.097","","","","","","1.039","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246928","12.952","0.0009","13.4792","0.001","15.8481","0.0012","110.169","0.002","113.276","0.002","90.899","0.003","2348.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33.52 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N2 -","- C56 H136 Cl24 Mn4 N8 -","4","2","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1144","0.078","","","0.1954","0.2177","","","","","","1.052","","","","has coordinates,has disorder","286116","2023-09-05","19:42:37",""
"7246929","9.2031","0.0009","9.2031","0.0009","14.662","0.002","90","","90","","90","","1241.8","0.2","340","","340","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H34 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N -","- C28 H68 Cl12 Mn2 N2 -","2","0.125","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1212","0.0898","","","0.3186","0.3564","","","","","","1.4","","","","has coordinates,has disorder","286116","2023-09-05","19:42:38",""
"7246930","37.455","0.0014","36.5541","0.0014","11.0255","0.0002","90","","90","","90","","15095.4","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C112 H84 Mn4 N16 O26 -","- C112 H84 Mn4 N16 O26 -","- C448 H336 Mn16 N64 O104 -","4","0.5","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.135","0.0883","","","0.2529","0.2972","","","","","","0.994","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246931","11.4539","0.0013","25.379","0.002","10.1811","0.0007","90","","99.143","0.009","90","","2921.9","0.5","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N4 O4 -","- C28 H16 Mn N4 O4 -","- C112 H64 Mn4 N16 O16 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.1517","0.0925","","","0.1925","0.2189","","","","","","1.042","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246932","33.5391","0.0018","13.3893","0.0012","12.2796","0.0006","90","","98.383","0.005","90","","5455.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N2 O11 Zn2 -","- C50 H34 N2 O11 Zn2 -","- C200 H136 N8 O44 Zn8 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","","1.54184","CuKα","","0.2494","0.1876","","","0.4432","0.4805","","","","","","1.199","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246933","9.5646","0.0011","3.7993","0.0005","13.5636","0.0017","90","","106.084","0.013","90","","473.59","0.11","113.15","","113.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1842","","","","","","1.049","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246934","7.1188","0.0014","18.663","0.004","7.959","0.0016","90","","106.09","0.03","90","","1016","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dicarbomethoxyaniline;3-benzenedicarboxylicacid,5-amino-dimethylester;5-Amino-1,3-isophthalic","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0752","0.053","","","0.1588","0.1765","","","","","","1.008","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246935","9.3469","0.0004","9.976","0.0004","17.9902","0.0008","79.743","0.001","86.729","0.001","67.295","0.001","1522.64","0.11","189","2","189","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 O11.5 Zn2 -","- C29 H29 N2 O11.5 Zn2 -","- C58 H58 N4 O23 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","0.71073","MoKα","","0.0529","0.0463","","","0.1282","0.1335","","","","","","1.027","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246936","9.1845","0.0003","9.9874","0.0003","18.5249","0.0005","79.721","0.002","86.064","0.002","68.155","0.003","1551.94","0.09","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.8 N2 O10.9 Zn2 -","- C29 H27.8 N2 O10.9 Zn2 -","- C58 H55.6 N4 O21.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0984","0.077","","","0.2216","0.2374","","","","","","1.052","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246937","9.351","0.0002","9.9976","0.0002","18.0428","0.0004","80.1","0.002","87.289","0.002","67.583","0.002","1535.78","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.8 N2 O11.9 Zn2 -","- C29 H29.8 N2 O11.9 Zn2 -","- C58 H59.6 N4 O23.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0579","0.0534","","","0.1397","0.1435","","","","","","1.029","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246938","8.717","0.001","9.9589","0.0012","19.6815","0.0014","78.835","0.009","84.141","0.009","69.71","0.011","1571.1","0.3","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.7 N2 O10.85 Zn2 -","- C29 H27.7 N2 O10.85 Zn2 -","- C58 H55.4 N4 O21.7 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.1166","0.089","","","0.2524","0.3068","","","","","","1.175","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246949","14.312","0.016","8.755","0.01","25.39","0.03","90","","95.79","0.02","90","","3165","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Ag N16 -","- C30 H19 Ag N16 -","- C120 H76 Ag4 N64 -","4","1","","Kang, Hai-Peng; Zhou, Han-Chen; Tang, Xiong; Liu, Chang; Li, Yong-Hua; Zhang, Hao-Zhe; Su, Jian; Ferbinteanu, Marilena; Wu, Hua-Yu; Wang, Shi","An AIE-active tetraphenylethene functionalized silver-tetrazolate coordination polymer for selective fluorescence sensing of explosives","CrystEngComm","2023","25","29","4231","4237","10.1039/D3CE00598D","","","0.71073","MoKα","","0.1042","0.0514","","","0.1132","0.1477","","","","","","1.05","","","","has coordinates","286083","2023-09-05","19:32:51",""
"7246974","4.9864","0.0005","10.0378","0.0011","10.0982","0.0011","72.982","0.005","83.424","0.006","79.174","0.005","473.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)-kgd-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0815","0.0779","","","0.2047","0.2172","","","","","","1.111","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246975","4.9218","0.0002","18.328","0.0007","10.9159","0.0005","90","","97.893","0.002","90","","975.36","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C40 H28 Cd2 N8 O16 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0773","0.0757","","","0.1779","0.1785","","","","","","1.323","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246976","5.0968","0.0001","18.2442","0.0003","15.0256","0.0003","90","","96.058","0.001","90","","1389.38","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-alpha","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]","","- C26 H28 Cd N6 O10 -","- C26 H28 Cd N6 O10 -","- C52 H56 Cd2 N12 O20 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.032","0.031","","","0.079","0.0798","","","","","","1.127","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246977","5.0173","0.0001","9.6508","0.0003","11.4756","0.0003","82.357","0.001","79.568","0.001","80.006","0.001","535.21","0.02","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)2-kgd-open","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0409","0.0407","","","0.1063","0.1082","","","","","","1.054","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246978","25.238","0.005","4.988","0.001","25.694","0.005","90","","116.13","0.03","90","","2904","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35.28 N5 O10.14 -","- C29 H35 N5 O10.1415 -","- C116 H140 N20 O40.566 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.6199","Synchrotron","","0.1584","0.0788","","","0.1902","0.2322","","","","","","1.015","","","","has coordinates,has disorder","286100","2023-09-05","19:38:03",""
"7246979","9.475","0.002","11.269","0.002","17.688","0.004","81.39","0.03","79.74","0.03","78.24","0.03","1806.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H43 F1.5 N5 Na0.5 O13 -","- C30 H37 F1.5 N5 Na0.5 O13 -","- C60 H74 F3 N10 Na O26 -","2","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1253","0.0856","","","0.2237","0.2516","","","","","","1.007","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246980","31.544","0.006","9.474","0.002","15.431","0.003","90","","92.44","0.03","90","","4607.3","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H51 F3 N7 O16.25 -","- C36 H42 F3 N7 O16.5 -","- C144 H168 F12 N28 O66 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.7","Synchrotron","","0.2494","0.133","","","0.2853","0.3484","","","","","","1.072","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246981","9.724","0.002","33.662","0.007","9.966","0.002","90","","90.87","0.03","90","","3261.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N5 O11 -","- C31 H45 N5 O11 -","- C124 H180 N20 O44 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1172","0.0645","","","0.1616","0.1898","","","","","","1.006","","","","has coordinates","286100","2023-09-05","19:38:04",""
"7246982","9.5155","0.0005","20.4042","0.001","27.4702","0.0015","90","","97.945","0.002","90","","5282.3","0.5","251","","251","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Co N12 O6 -","- C63 H48 Co N12 O6 -","- C252 H192 Co4 N48 O24 -","4","1","","Luo, Rong; Xu, Cun-Gang; Yu, Hai-Jun; Wu, Rui-Xue; Lu, Peng; Fan, Yu-Hua; Shao, Feng","A novel Co(ii)-based MOF with selective fluorescence as a turn-on sensor for biomarker methylmalonic acid","CrystEngComm","2023","25","29","4120","4125","10.1039/D3CE00576C","","","0.71073","MoKα","","0.0834","0.045","","","0.1039","0.1278","","","","","","1.02","","","","has coordinates","286085","2023-09-05","19:34:57",""
"7246996","8.07743","0.0001","8.07743","0.0001","23.4262","0.0003","90","","90","","120","","1323.67","0.03","293","2","293","2","","","","","","","no","4","P 3 1 c","P 3 -2c","159","iodate","Cesium Tantale Iodate","","- Cs3 I8 O24 Ta -","- Cs3 I8 O24 Ta -","- Cs6 I16 O48 Ta2 -","2","0.333333","","Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.","New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction","CrystEngComm","2023","25","30","4364","4369","10.1039/D3CE00461A","","","0.71073","MoKα","","0.0384","0.0361","","","0.0873","0.089","","","","","","1.133","","","","has coordinates","286115","2023-09-05","19:42:24",""
"7247001","8.7734","0.0003","10.412","0.0003","14.03","0.0005","90","","97.502","0.001","90","","1270.65","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thiadiazol","'2,3-diphenyl-1,3,4-thiadiazol-3-ium-5-thiolate'","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C56 H40 N8 S8 -","4","1","","Lima, Priscila S. V.; Weimer, Gustavo H.; Oliveira, Leonardo P.; Souza, Helivaldo D. S.; Fiss, Gabriela F.; Bonacorso, Helio G.; Martins, Marcos A. P.","Mesoionic compounds: the role of intermolecular interactions in their crystalline design","CrystEngComm","2023","25","35","4976","4991","10.1039/D3CE00554B","","x-ray","1.54178","CuKα","","0.0364","0.0339","","","0.0903","0.0922","","","","","","1.049","","","","has coordinates","286743","2023-10-06","00:07:38",""
"7247002","5.455","0.015","14.57","0.04","14.53","0.04","90","","96.13","0.04","90","","1148","5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form I","FLUCYTOSINE-GENTISIC ACID form I","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1078","0.0732","","","0.1819","0.2095","","","","","","0.99","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247003","3.715","0.002","14.634","0.008","22.239","0.015","90","","92.71","0.02","90","","1207.7","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form II","FLUCYTOSINE-GENTISIC ACID form II","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1158","0.0538","","","0.1027","0.1249","","","","","","1.017","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247004","10.3556","0.0004","8.6408","0.0003","14.1363","0.0006","90","","110.761","0.002","90","","1182.79","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FLUCYTOSINE-GENTISATE form III","FLUCYTOSINE-GENTISATE form III","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.0599","0.0438","","","0.1177","0.1316","","","","","","1.048","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247005","8.934","0.0004","11.4151","0.0005","13.698","0.0006","83.066","0.001","81.123","0.001","83.439","0.001","1363.6","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 Eu N3 O7 -","- C33 H20 Eu N3 O7 -","- C66 H40 Eu2 N6 O14 -","2","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0286","0.0254","","","0.0608","0.0626","","","","","","1.077","","","","has coordinates,has disorder","286103","2023-09-05","19:38:49",""
"7247006","11.2602","0.0007","12.0576","0.0007","12.2932","0.0007","78.341","0.003","78.639","0.003","63.154","0.003","1447.73","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","1","0.5","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0719","0.0661","","","0.1753","0.1796","","","","","","1.147","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247007","9.7558","0.0001","18.2307","0.0001","18.7616","0.0001","90","","101.188","0.001","90","","3273.43","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Eu N3 O8 -","- C39 H24 Eu N3 O8 -","- C156 H96 Eu4 N12 O32 -","4","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","1.54184","CuKα","","0.0312","0.0299","","","0.0779","0.079","","","","","","1.066","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247008","10.9554","0.0006","18.3762","0.001","19.9036","0.001","90","","100.718","0.001","90","","3937.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 Nd O8 -","- C30 H32 Au3 N10 Nd O8 -","- C120 H128 Au12 N40 Nd4 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.071","0.0364","","","0.0493","0.0562","","","","","","0.987","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247009","7.8419","0.0006","19.2528","0.0015","23.7526","0.0018","90","","91.512","0.001","90","","3584.9","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Au6 N20 O20 Sm Tb -","- C52 H56 Au5.998 N20 O20 Sm Tb -","- C104 H112 Au11.996 N40 O40 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0418","0.0313","","","0.0652","0.0682","","","","","","1.097","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247010","7.8552","0.0015","19.264","0.003","23.773","0.004","90","","91.419","0.007","90","","3596.3","1.1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Tb -","- C26 H28 Au3 N10 O10 Tb -","- C104 H112 Au12 N40 O40 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0609","0.0387","","","0.0861","0.0947","","","","","","1.036","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247011","10.854","0.002","18.197","0.003","19.849","0.004","90","","99.778","0.003","90","","3863.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Ce N10 O8 -","- C30 H32 Au3 Ce N10 O8 -","- C120 H128 Au12 Ce4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0352","0.0253","","","0.0496","0.0522","","","","","","1.017","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247012","7.8699","0.0007","19.2577","0.0014","23.7813","0.0017","90","","91.485","0.004","90","","3603","0.5","230","","230","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Sm0.41 Tb0.59 -","- C26 H28 Au3 N10 O10 Sm0.403 Tb0.597 -","- C104 H112 Au12 N40 O40 Sm1.612 Tb2.388 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0312","0.0249","","","0.0543","0.0564","","","","","","1.037","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247013","7.958","0.0007","10.2731","0.001","23.067","0.002","89.082","0.004","85.457","0.004","70.612","0.002","1773.2","0.3","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Au3 N10 Nd O9 -","- C26 H26 Au3 N10 Nd O9 -","- C52 H52 Au6 N20 Nd2 O18 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0926","0.0633","","","0.1616","0.1775","","","","","","1.027","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247014","7.8884","0.0008","10.2453","0.001","23.058","0.002","89.15","0.002","85.419","0.002","70.588","0.002","1751.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Au3 N10 O9 Sm0.79 Tb0.22 -","- C26 H26 Au3.0002 N10 O9 Sm0.784 Tb0.216 -","- C52 H52 Au6.0004 N20 O18 Sm1.568 Tb0.432 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0504","0.0306","","","0.0434","0.0472","","","","","","1.015","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247015","10.9102","0.0009","18.2189","0.0015","19.7594","0.0018","90","","100.364","0.003","90","","3863.5","0.6","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Sm -","- C30 H32 Au3 N10 O8 Sm -","- C120 H128 Au12 N40 O32 Sm4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0359","0.0258","","","0.0535","0.0563","","","","","","1.029","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247016","10.8731","0.0005","18.0339","0.0009","19.5988","0.0011","90","","99.557","0.002","90","","3789.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Au6 N20 O16 Sm Tb -","- C60 H64 Au6 N20 O16 Sm Tb -","- C120 H128 Au12 N40 O32 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0201","0.0178","","","0.0366","0.0372","","","","","","1.096","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247017","10.8792","0.0006","17.9625","0.001","19.5519","0.0012","90","","99.575","0.002","90","","3767.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Dy N10 O8 -","- C30 H32 Au3 Dy N10 O8 -","- C120 H128 Au12 Dy4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.032","0.0303","","","0.0785","0.0797","","","","","","1.086","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247018","7.8704","0.0017","19.268","0.005","23.801","0.006","90","","91.576","0.009","90","","3608","1.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 Eu N10 O10 -","- C26 H28 Au2.999 Eu N10 O10 -","- C104 H112 Au11.996 Eu4 N40 O40 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0721","0.0347","","","0.0558","0.0628","","","","","","1.02","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247019","10.8939","0.0006","17.908","0.001","19.463","0.001","90","","99.59","0.001","90","","3743.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Yb -","- C30 H32 Au3 N10 O8 Yb -","- C120 H128 Au12 N40 O32 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0245","0.0208","","","0.0452","0.0464","","","","","","1.079","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247020","7.7711","0.0013","19.156","0.003","23.765","0.004","90","","91.03","0.003","90","","3537.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Yb -","- C26 H28 Au3.001 N10 O10 Yb -","- C104 H112 Au12.004 N40 O40 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0302","0.0246","","","0.0515","0.0538","","","","","","1.068","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247021","10.887","0.0007","18.0157","0.0013","19.5884","0.0014","90","","99.626","0.003","90","","3787.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Tb -","- C30 H32 Au3 N10 O8 Tb -","- C120 H128 Au12 N40 O32 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0438","0.0362","","","0.1234","0.1307","","","","","","1.047","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247022","10.8683","0.0005","18.0285","0.0007","19.6168","0.001","90","","99.538","0.002","90","","3790.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Eu N10 O8 -","- C30 H32 Au3 Eu N10 O8 -","- C120 H128 Au12 Eu4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0328","0.0291","","","0.0686","0.07","","","","","","1.094","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247024","17.7843","0.0002","34.8725","0.0004","7.54963","0.00009","90","","90","","90","","4682.15","0.09","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H23 N5 O -","- C28 H23 N5 O -","- C224 H184 N40 O8 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1137","0.1154","","","","","","1.049","","","","has coordinates","286099","2023-09-05","19:37:45",""
"7247025","20.8701","0.0007","20.0485","0.0007","15.1301","0.0005","90","","114.052","0.001","90","","5781","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C280 H192 Cd8 N48 O32 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.34139","Synchrotron","GaKα","0.0392","0.0292","","","0.0754","0.079","","","","","","1.078","","","","has coordinates,has disorder","286099","2023-09-05","19:37:46",""
"7247026","3.9472","0.0002","3.9472","0.0002","15.2401","0.0001","90","","90","","90","","237.447","0.017","","","30","","","","","","","","","3","I 4/m m m","-I 4 2","139","Cesium iron selenide (0.82/1.62/2)","","","- Cs0.82 Fe1.62 Se2 -","- Cs0.82 Fe1.62 Se2 -","- Cs1.64 Fe3.24 Se4 -","2","0.0625","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","","","","","","","","","","","","","","","","","","","has coordinates","286107","2023-09-05","19:40:38",""
"7247027","12.575","0.001","26.24","0.002","14.684","0.001","90","","102.485","0.01","90","","4730.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Fe N9 O4 Sn -","- C52 H52 Fe N9 O4 Sn -","- C208 H208 Fe4 N36 O16 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.0548","0.0411","","","0.1043","0.1135","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247028","16.45","0.001","27.473","0.003","18.743","0.002","90","","104.441","0.01","90","","8202.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C380 H212 Cl32 Mo4 N64 O8 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.2431","0.1281","","","0.3251","0.3704","","","","","","1.193","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247029","12.9659","0.0004","18.5545","0.0003","14.3959","0.0003","90","","104.36","0.002","90","","3355.1","0.14","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C140 H144 Cl10 Ir2 N20 Na2 O12 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0281","0.0259","","","0.0578","0.0587","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247030","12.1076","0.0003","12.5476","0.0003","13.9976","0.0003","99.14","0.002","103.14","0.002","109.704","0.002","1884.19","0.09","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H25 Cl2 N8 O3 Sn V -","- C45.9994 H24.9996 Cl1.9998 N8 O3 Sn V -","- C91.9988 H49.9992 Cl3.9996 N16 O6 Sn2 V2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0203","0.0184","","","0.0482","0.0492","","","","","","1.059","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247031","36.653","0.003","21.7587","0.0018","28.04","0.003","90","","120.978","0.002","90","","19173","3","120","1","120","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C812 H664 Cl44 N144 Na8 O48 Ru8 Sn16 -","8","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1728","0.1131","","","0.2292","0.2625","","","","","","1.149","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247032","14.8478","0.0002","12.6529","0.0001","23.7022","0.0002","90","","91.224","0.001","90","","4451.86","0.08","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 Cl2 I2 Ir N8 Sn -","- C48 H35 Cl2 I2 Ir N8 Sn -","- C192 H140 Cl8 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0229","0.0219","","","0.0534","0.0537","","","","","","1.118","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247033","12.8043","0.0008","11.4261","0.0007","25.2186","0.0017","90","","103.808","0.006","90","","3582.9","0.4","100","0.8","100","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cl2 Ir N8 Sn -","- C42 H31 Cl2 Ir N8 Sn -","- C168 H124 Cl8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1271","0.0724","","","0.1171","0.1364","","","","","","1.054","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247034","12.197","0.0003","12.7088","0.0003","13.9744","0.0003","99.379","0.002","104.646","0.002","109.904","0.002","1895.3","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H25 Cl3 Mo N8 O2 Sn -","- C45 H25 Cl3 Mo N8 O2 Sn -","- C90 H50 Cl6 Mo2 N16 O4 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0349","0.0304","","","0.0744","0.077","","","","","","1.037","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247035","22.3297","0.0005","12.2594","0.0003","26.799","0.0008","90","","110.193","0.003","90","","6885.3","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C296 H276 Cl16 Co4 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0947","0.0804","","","0.2076","0.2176","","","","","","1.114","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247036","16.1813","0.0018","14.7119","0.0008","37.959","0.002","109.856","0.005","98.694","0.007","95.271","0.007","8301.3","1.2","100","2","100","2","","","","","","","no","8","P -1","-P 1","2","","Decamethylchromosenium salt of tin(II) naphthalocyanine coordinated Ir4(CO)11 cluster, dichlorobenzene solvate","","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C364 H248 Cl16 Cr4 Ir16 N32 O44 Sn4 -","4","2","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.2689","0.1638","","","0.3552","0.3897","","","","","","0.991","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247037","16.9638","0.0003","19.8243","0.0003","19.9815","0.0003","90","","96.196","0.001","90","","6680.43","0.19","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C276 H200 Cl8 Cr4 Ir16 N32 O44 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0428","0.0295","","","0.0535","0.0569","","","","","","1.042","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247038","22.7101","0.0006","14.5414","0.0008","39.6766","0.0016","90","","90","","90","","13102.7","1","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C528 H480 Cl32 Fe8 K8 N80 O80 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1381","0.0773","","","0.1367","0.1596","","","","","","1.063","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247046","7.703","0.007","9.477","0.009","10.206","0.01","112.963","0.012","102.917","0.013","95.919","0.013","653.4","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0343","0.032","","","0.0944","0.0977","","","","","","0.978","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247047","7.8166","0.0016","11.069","0.002","11.929","0.002","72.386","0.003","78.707","0.003","80.019","0.003","957.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0395","0.0346","","","0.1016","0.1047","","","","","","1.028","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247048","8.5226","0.0003","10.0347","0.0004","12.5476","0.0005","77.009","0.002","81.678","0.002","86.51","0.002","1034.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C50 H46 N6 O6 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0709","0.0508","","","0.1417","0.158","","","","","","1.039","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247049","12.5066","0.0004","14.8096","0.0005","18.3306","0.0007","90","","90","","90","","3395.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0678","0.0466","","","0.1152","0.1278","","","","","","1.063","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247050","11.3394","0.0008","11.345","0.0008","14.9825","0.001","77.424","0.005","86.116","0.004","67.045","0.004","1731.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","2","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.1413","0.0723","","","0.1724","0.2116","","","","","","1.061","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7247051","7.9976","0.0005","8.4028","0.0005","12.3149","0.0008","75.304","0.003","71.879","0.003","81.037","0.003","758.14","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 F3 N2 O3 S -","- C14 H15 F3 N2 O3 S -","- C28 H30 F6 N4 O6 S2 -","2","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.0378","0.0338","","","0.0977","0.1002","","","","","","1.055","","","","has coordinates","286122","2023-09-05","19:44:01",""
"7247052","10.8564","0.0014","7.7062","0.0009","38.699","0.005","90","","90","","90","","3237.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 F3 N4 O2 -","- C16 H19 F3 N4 O2 -","- C128 H152 F24 N32 O16 -","8","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.19","0.0959","","","0.2089","0.2374","","","","","","1.036","","","","has coordinates,has disorder","286122","2023-09-05","19:44:02",""
"7247053","14.6222","0.0016","5.5787","0.0006","14.6298","0.0016","90","","144.34","0.01","90","","695.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0336","0.0315","","","0.0782","0.0794","","","","","","1.091","","","","has coordinates","286110","2023-09-05","19:41:07",""
"7247054","6.78","0.002","10.046","0.003","10.579","0.003","90","","104.986","0.007","90","","696","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0575","0.0482","","","0.1064","0.1109","","","","","","1.215","","","","has coordinates","286110","2023-09-05","19:41:08",""
"7247055","7.2373","0.0005","11.5245","0.0008","12.2725","0.0008","70.605","0.002","84.799","0.002","76.466","0.002","938.61","0.11","140","","140","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid oxalate dihydrate","","","- C19 H22 F N3 O8 -","- C19 H22 F N3 O8 -","- C38 H44 F2 N6 O16 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0906","0.0929","","","","","","1.025","","","","has coordinates","286117","2023-09-05","19:42:47",""
"7247056","7.1349","0.0008","11.9568","0.0014","12.32","0.0013","77.766","0.004","89.132","0.004","82.126","0.004","1017.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid dioxalate dihydrate","","","- C20 H23 F N3 O10 -","- C20 H23 F N3 O10 -","- C40 H46 F2 N6 O20 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0475","0.0353","","","0.0864","0.0916","","","","","","1.03","","","","has coordinates","286117","2023-09-05","19:42:48",""
"7247057","13.7549","0.0018","13.9237","0.0019","30.361","0.004","90.753","0.005","93.648","0.004","94.741","0.005","5782.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Hexa-Ciprofloxacin tri-oxalate dihydrate","","","- C108 H118 F6 N18 O32 -","- C108 H118 F6 N18 O32 -","- C216 H236 F12 N36 O64 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0577","0.0405","","","0.1023","0.1092","","","","","","1.04","","","","has coordinates,has disorder","286117","2023-09-05","19:42:48",""
"7247058","19.785","0.004","18.079","0.004","16.343","0.003","90","","115.629","0.007","90","","5270.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 F12 N6 O4 -","- C54 H54 F12 N6 O4 -","- C216 H216 F48 N24 O16 -","4","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1441","0.0887","","","0.2464","0.2799","","","","","","1.064","","","","has coordinates,has disorder","287334","2023-11-06","07:22:45",""
"7247059","10.8811","0.0017","11.1873","0.0017","16.516","0.002","70.972","0.006","71.325","0.006","85.357","0.007","1800","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","1","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1637","0.0857","","","0.2495","0.2907","","","","","","1.088","","","","has coordinates","287334","2023-11-06","07:22:59",""
"7247060","15.7903","0.0011","16.4942","0.001","19.737","0.0014","90","","110.881","0.003","90","","4802.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F6 N6 O4 -","- C52 H56 F6 N6 O4 -","- C208 H224 F24 N24 O16 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1086","0.0609","","","0.1453","0.1672","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:08",""
"7247061","10.352","0.002","18.345","0.004","20.704","0.005","90","","93.095","0.009","90","","3926.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 N4 O6 -","- C40 H46 F6 N4 O6 -","- C160 H184 F24 N16 O24 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1031","0.0605","","","0.1438","0.1606","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:25",""
"7247070","9.8457","0.0019","10.6763","0.0019","14.355","0.003","90","","115.832","0.006","90","","1358.2","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Co2L2Cl2]","","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C48 H52 Br4 Cl4 Co4 N8 O4 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1792","0.105","","","0.2502","0.2855","","","","","","1.0793","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247071","7.3125","0.0004","9.9783","0.0006","11.6624","0.0007","71.043","0.002","80.28","0.002","77.336","0.002","780.82","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0484","0.0404","","","0.0846","0.0915","","","","","","1.171","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247072","18.0168","0.001","22.4384","0.0013","9.4282","0.0006","90","","96.955","0.002","90","","3783.5","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Co2L2(acac)2]2","","- C68 H84 Br4 Co4 N8 O12 -","- C68 H84 Br4 Co4 N8 O12 -","- C136 H168 Br8 Co8 N16 O24 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1564","0.065","","","0.1048","0.1305","","","","","","1.023","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247073","9.9504","0.0007","10.6442","0.0008","11.3733","0.0008","96.093","0.003","114.41","0.002","108.736","0.002","998.14","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0509","0.0389","","","0.071","0.0746","","","","","","1.0431","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247089","14.928","0.004","18.059","0.004","20.972","0.005","84.908","0.006","76.202","0.006","78.679","0.006","5379","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H120 Au4 Cl6 N8 O8 -","- C120 H120 Au4 Cl6 N8 O8 -","- C240 H240 Au8 Cl12 N16 O16 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.176","0.101","","","0.2822","0.3543","","","","","","1.155","","","","has coordinates,has disorder","286109","2023-09-05","19:40:59",""
"7247090","16.7951","0.0017","17.6474","0.0017","19.8427","0.0018","77.941","0.003","82.828","0.003","75.258","0.003","5546.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Au2 Cl4 N4 O4 -","- C60 H60 Au2 Cl4 N4 O4 -","- C240 H240 Au8 Cl16 N16 O16 -","4","2","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0609","0.0368","","","0.0784","0.0849","","","","","","1.013","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247091","14.437","0.0007","18.6296","0.0009","22.2485","0.0011","82.428","0.002","79.383","0.002","77.623","0.002","5718.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H128 Au4 Cl6 N8 O12 -","- C124 H126 Au4 Cl6 N8 O12 -","- C248 H252 Au8 Cl12 N16 O24 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0708","0.04","","","0.0911","0.1006","","","","","","1.085","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247096","5.2481","0.0012","14.898","0.003","15.184","0.004","90","","90","","90","","1187.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.0466","0.0378","","","0.1142","0.1298","","","","","","0.935","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247097","8.638","0.01","17.1","0.02","8.705","0.01","90","","111.112","0.014","90","","1200","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.164","0.0807","","","0.1976","0.2414","","","","","","1.008","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247104","8.2694","0.0006","8.7155","0.0007","26.765","0.002","87.121","0.006","85.505","0.006","80.356","0.007","1894.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","CTC-1OH","","- C40 H39 N2 O18.5 -","- C40 H39 N2 O18.5 -","- C80 H78 N4 O37 -","2","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.0952","0.0551","","","0.1372","0.1637","","","","","","1.037","","","","has coordinates","286741","2023-10-06","00:06:20",""
"7247105","4.7835","0.0005","43.651","0.005","11.3771","0.0011","90","","90","","90","","2375.6","0.4","293","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O9 -","- C28 H24 N2 O9 -","- C112 H96 N8 O36 -","4","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.1739","0.1661","","","0.451","0.469","","","","","","1.135","","","","has coordinates,has disorder","286741","2023-10-06","00:06:20",""
"7247106","5.1806","0.0002","5.1806","0.0002","12.8377","0.001","90","","90","","120","","298.39","0.03","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O7 P2 -","- Al O7 P2 -","- Al2 O14 P4 -","2","0.166667","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0377","0.0356","","","0.0963","0.0983","","","","","","1.234","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247107","6.8925","0.0006","7.1249","0.0006","8.6411","0.0014","89.34","0.011","67.136","0.012","87.675","0.007","390.68","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Al O5 P -","- Al O5 P -","- Al4 O20 P4 -","4","2","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0963","0.0916","","","0.205","0.21","","","","","","1.116","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247108","7.9101","0.0007","7.9101","0.0007","7.1057","0.0008","90","","90","","120","","385.04","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","1","0.0833333","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0668","0.0603","","","0.1706","0.1749","","","","","","1.149","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247109","6.692","0.0002","6.692","0.0002","13.0305","0.0007","90","","90","","90","","583.54","0.04","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Ca O3 P -","- Ca O3 P -","- Ca8 O24 P8 -","8","1","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0251","0.0243","","","0.0654","0.0659","","","","","","1.133","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247110","16.0602","0.0012","7.6455","0.0009","11.9152","0.0013","90","","94.692","0.008","90","","1458.1","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Py-TP-BT","5-(2-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.0887","0.0465","","","0.0979","0.112","","","","","","1.017","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247111","6.1579","0.0003","7.5864","0.0004","31.1475","0.0014","90","","90","","90","","1455.1","0.12","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4Py-TP-BT","5-(4-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.1111","0.0553","","","0.1038","0.1217","","","","","","0.997","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247113","5.6474","0.0009","7.3558","0.0011","10.9693","0.0015","108.023","0.013","94.575","0.012","99.275","0.013","423.55","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","piperazine-1,4-diium di-sorbate","piperazine-1,4-diium di-2e,4e-hexadienoicate","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","1","0.5","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0553","0.0434","","","0.1029","0.114","","","","","","1.041","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247114","4.0241","0.0002","7.3014","0.0003","20.0901","0.001","97.098","0.004","92.087","0.004","90.663","0.003","585.29","0.05","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","Nicotinamide Sorbic acid","Nicotinamide 2e,4e-hexadienoicacid","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0585","0.0497","","","0.1281","0.1339","","","","","","1.093","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247115","8.8238","0.0003","11.919","0.0003","11.9562","0.0003","90","","95.671","0.003","90","","1251.29","0.06","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Diaminopyridinium Sorbate monohydrate","2,6-Diaminopyridinium 2e,4e-hexadienoicate monohydrate","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0415","0.0371","","","0.1001","0.1046","","","","","","1.053","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247116","27.4286","0.0008","17.9342","0.0002","15.0384","0.0004","90","","133.511","0.005","90","","5365","0.5","223","0.1","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H78 Cl6 Fe4 N O60 -","- C74 H78 Cl6 Fe4 N O60 -","- C148 H156 Cl12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0633","0.0597","","","0.1604","0.1643","","","","","","1.084","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247117","27.2657","0.0008","17.98779","0.00019","15.0294","0.0004","90","","133.512","0.005","90","","5345.8","0.5","223.15","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C74H76Cl4Fe4NO60","","- C74 H80 Cl4 Fe4 N O60 -","- C74 H80 Cl4 Fe4 N O60 -","- C148 H160 Cl8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","","1.54184","CuKα","","0.0539","0.0531","","","0.1383","0.1392","","","","","","1.026","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247118","27.2902","0.0013","17.9198","0.0003","15.0346","0.0007","90","","133.441","0.009","90","","5338.5","0.9","223","0.1","223","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","[NH4<C72H72O60Fe4](CH2Br2)2","","- C74 H80 Br4 Fe4 N O60 -","- C74 H80 Br4 Fe4 N O60 -","- C148 H160 Br8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","0.71073","MoKα","","0.0745","0.0709","","","0.2038","0.2077","","","","","","1.061","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247119","27.5848","0.0004","17.97775","0.0001","15.1052","0.0002","90","","133.527","0.003","90","","5431.2","0.3","223","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C72H72O60Fe4(CHBr3)2","","- C74 H78 Br6 Fe4 N O60 -","- C74 H78 Br6 Fe4 N O60 -","- C148 H156 Br12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0724","0.0708","","","0.1925","0.1947","","","","","","1.021","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247122","6.452","0.001","11.032","0.002","28.638","0.005","90","","90","","90","","2038.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 K N5 O14 P2 -","- C10 H22 K N5 O14 P2 -","- C40 H88 K4 N20 O56 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.036","0.0351","","","0.094","0.0945","","","","","","1.073","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247123","26.352","0.006","10.99","0.003","6.7232","0.0011","90","","90","","90","","1947.1","0.8","300","2","300","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H28 K N10 O26.25 P4 -","- C40 H56 K2 N20 O52.5 P8 -","2","0.5","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0834","0.0681","","","0.1868","0.2024","","","","","","1.052","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247124","26.388","0.009","10.285","0.004","6.2377","0.0015","90","","90","","90","","1692.9","1","320","2","320","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 K N5 O10 P2 -","- C10 H14 K N5 O10 P2 -","- C40 H56 K4 N20 O40 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0792","0.058","","","0.1607","0.18","","","","","","1.101","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247125","25.939","0.004","11.003","0.002","13.505","0.002","90","","90","","90","","3854.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H41.512 K N10 O26.256 P4 -","- C80 H166.048 K4 N40 O105.024 P16 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","0.71073","MoKα","","0.0395","0.0348","","","0.0876","0.0896","","","","","","1.045","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247126","28.31","0.005","10.412","0.002","6.2855","0.001","90","","90","","90","","1852.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H18 K N5 O12 P2 -","- C10 H18 K N5 O12 P2 -","- C40 H72 K4 N20 O48 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.54184","CuKα","","0.0392","0.0381","","","0.1006","0.1011","","","","","","1.062","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247127","10.645","0.003","21.957","0.008","8.674","0.003","90","","91.131","0.011","90","","2027","1.2","296","2","295.85","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1677","0.0634","","","0.1191","0.1633","","","","","","1.001","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247128","7.2928","0.0005","17.0257","0.0009","25.6078","0.0016","90","","90","","90","","3179.6","0.3","296","2","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C120 H120 N24 O48 -","8","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1387","0.0575","","","0.1285","0.1771","","","","","","1.007","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247154","7.4176","0.0005","7.5344","0.0005","13.4049","0.0009","94.585","0.002","101.837","0.002","115.88","0.002","647.36","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0484","0.0392","","","0.1092","0.1154","","","","","","1.045","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247155","17.3245","0.0007","4.8311","0.0002","18.3867","0.0008","90","","107.778","0.002","90","","1465.41","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0646","0.0412","","","0.0896","0.1035","","","","","","1.058","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247156","10.40289","0.00006","6.00012","0.00003","7.72969","0.00005","90","","117.197","0.0004","90","","429.134","0.005","293","","293","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","K5Yb0.3Eu0.7(MoO4)4","","","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Zonov, Egor M.; Deyneko, Dina V.; Spassky, Dmitry A.; Fedyunin, Fedor D.; Belik, Alexei A.; Pavlova, Erzhena T.; Vasin, Andrey A.; Lazoryak, Bogdan I.","K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties","CrystEngComm","2023","25","34","4822","4833","10.1039/D3CE00401E","powder diffraction","x-ray","0.65297","synchrotron","","0.0314","0.0313","","0.0391","0.0391","","","","6.01","","","","","","","has coordinates","286119","2023-09-05","19:43:20",""
"7247163","8.1405","0.0002","12.0603","0.0003","14.974","0.0004","70.718","0.002","85.026","0.002","83.285","0.002","1376.3","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2,3,4,5,6-pentafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","1","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0496","0.0424","","","0.1011","0.1057","","","","","","1.086","","","","has coordinates","286738","2023-10-06","00:05:45",""
"7247164","14.2789","0.0003","16.8821","0.0004","12.1517","0.0003","90","","96.37","0.002","90","","2911.18","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoate-tin-tetraiodoporphrin","","","- C64 H44 F2 I4 N4 O4 Sn -","- C64 H44 F2 I4 N4 O4 Sn -","- C128 H88 F4 I8 N8 O8 Sn2 -","2","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0559","0.045","","","0.1334","0.139","","","","","","1.059","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247165","21.2268","0.0007","15.2917","0.0005","18.6929","0.0005","90","","94.748","0.003","90","","6046.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2,4,6-trifluorobenzoate-tin-tetraiodoporphrin","","","- C64 H40 F6 I4 N4 O4 Sn -","- C64 H40 F6 I4 N4 O4 Sn -","- C256 H160 F24 I16 N16 O16 Sn4 -","4","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0655","0.0542","","","0.1614","0.1709","","","","","","1.073","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247166","12.5134","0.0004","39.2235","0.0008","12.3836","0.0003","90","","103.376","0.003","90","","5913.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,6-difluorobenzoate-tin-tetraiodoporphrin","","","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C236 H124 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0656","0.0554","","","0.1711","0.1791","","","","","","1.07","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247167","12.5356","0.0003","40.7661","0.0008","12.4757","0.0003","90","","102.912","0.002","90","","6214.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,4-difluorobenzoate-tin-tetraiodoporphrin","","","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C260 H172 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0682","0.0569","","","0.159","0.1658","","","","","","1.022","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247168","15.5029","0.0003","19.537","0.0004","22.8054","0.0004","90","","102.773","0.002","90","","6736.4","0.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","2,3,5,6-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C70 H50 F8 I4 N4 O4 Sn -","- C70 H50 F8 I4 N4 O4 Sn -","- C280 H200 F32 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.04","0.0349","","","0.098","0.1019","","","","","","1.045","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247169","10.6659","0.0001","24.8734","0.0004","30.8319","0.0004","90","","92.536","0.001","90","","8171.61","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2,3,4,5-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H26 F8 I4 N4 O4 Sn -","- C58 H26 F8 I4 N4 O4 Sn -","- C348 H156 F48 I24 N24 O24 Sn6 -","6","1.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0844","0.0648","","","0.2008","0.2147","","","","","","1.078","","","","has coordinates","286738","2023-10-06","00:05:46",""
"7247170","11.1507","0.0006","11.742","0.0006","14.0683","0.0007","73.932","0.005","85.67","0.004","84.591","0.004","1759.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N20 O2 Pb3 -","- C26 H22 N20 O2 Pb3 -","- C52 H44 N40 O4 Pb6 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Eftekhari-Sis, Bagher; Mitoraj, Mariusz P.; Sagan, Filip; Safin, Damir A.","Tetrel bonding stabilization of a new coordination polymer constructed from lead(ii) azide and 1-(pyridin-2-yl)ethylidenepicolinohydrazide","CrystEngComm","2023","25","36","5100","5108","10.1039/D3CE00596H","","","0.71073","MoKα","","0.0927","0.0629","","","0.1359","0.1498","","","","","","1.086","","","","has coordinates","286732","2023-10-06","00:04:42",""
"7247177","17.0535","0.0006","10.0663","0.0004","6.9926","0.0002","90","","91.543","0.003","90","","1199.95","0.07","296.89","0.15","296.89","0.15","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H28 Co Li N8 O14 -","- C14 H26 Co Li N8 O14 -","- C28 H52 Co2 Li2 N16 O28 -","2","0.5","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1025","0.0967","","","0.274","0.2827","","","","","","1.09","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247178","9.9786","0.0003","9.9786","0.0003","7.0265","0.0003","90","","90","","120","","605.91","0.04","350","15","350","15","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C14 H28 Co Li N8 O14 -","- C5.9994 Co Li N7.9998 O13.9998 -","- C5.9994 Co Li N7.9998 O13.9998 -","1","0.166667","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1227","0.115","","","0.2907","0.2977","","","","","","1.332","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247179","5.3766","0.0003","8.7055","0.0005","15.6819","0.0008","90","","99.722","0.002","90","","723.47","0.07","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C32 H28 Cl4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0243","0.0243","","","0.0639","0.0639","","","","","","1.057","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247180","5.5678","0.0002","8.7473","0.0004","15.6491","0.0007","90","","98.8027","0.0014","90","","753.18","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C32 H28 Br4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0215","0.0215","","","0.056","0.0561","","","","","","1.119","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247181","15.0686","0.0006","9.1426","0.0004","10.3068","0.0004","90","","93.7551","0.0013","90","","1416.88","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0543","0.0421","","","0.0865","0.0944","","","","","","1.138","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247182","9.3239","0.0007","10.3551","0.0007","30.346","0.002","90","","90","","90","","2929.9","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C128 H112 Br16 N16 -","8","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0476","0.0319","","","0.0583","0.0627","","","","","","1.076","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247185","5.3204","0.0002","13.5037","0.0009","43.718","0.002","82.294","0.005","89.769","0.004","89.83","0.004","3112.5","0.3","105","7","105","7","","","","","","","","6","P -1","-P 1","2","","","","- C51 H108 N3 Na O15 S3 -","- C51 H108 N3 Na O15 S3 -","- C102 H216 N6 Na2 O30 S6 -","2","1","","Arul Prakash, Sukanya; Chinapaka, Ravindar; John, Martin Luther; Dey, Somnath; Kamlekar, Ravi Kanth","Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol","CrystEngComm","2023","25","37","5286","5295","10.1039/D3CE00646H","","","0.71073","MoKα","","0.279","0.1111","","","0.2334","0.3161","","","","","","0.932","","","","has coordinates","286723","2023-10-06","00:02:24",""
"7247186","14.02999","0.00014","43.3663","0.0003","33.7009","0.0002","90","","94.381","0.0008","90","","20444.7","0.3","153","4","153","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd@pyridine","","- C116.5 H93.63 Cd4.67 N14.83 O28.5 -","- C116.5 H93.6333 Cd4.66667 N14.8333 O28.5 -","- C699 H561.8 Cd28 N89 O171 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0884","0.0788","","","0.2157","0.2264","","","","","","1.044","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247187","13.6817","0.0002","43.2808","0.0004","33.7646","0.0004","90","","95.3182","0.0014","90","","19907.8","0.4","154","7","154","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile","","- C142.2 H117.2 Cd6.8 N19.5 O48 -","- C142.2 H116.7 Cd6.8 N19.5 O48 -","- C568.8 H466.8 Cd27.2 N78 O192 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0906","0.0757","","","0.2108","0.228","","","","","","1.077","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247188","14.1427","0.0003","43.199","0.0006","33.7991","0.0004","90","","94.7053","0.0016","90","","20580","0.6","158","11","158","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1407","","- C173.5 H146.25 Cd7 N19.25 O46 -","- C173.5 H146.25 Cd7 N19.25 O46 -","- C694 H585 Cd28 N77 O184 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1102","0.0886","","","0.2398","0.2594","","","","","","1.034","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247189","13.9475","0.0002","43.3134","0.0004","33.5321","0.0004","90","","94.4569","0.0011","90","","20195.9","0.4","151","1","151","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tri(dimethlyformamide)-pentaaqua-hepta cadmium acetone","","- C117.39 H103.38 Cd5.6 N14.2 O39.66 -","- C117.392 H103.384 Cd5.6 N14.2 O39.656 -","- C586.96 H516.92 Cd28 N71 O198.28 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1078","0.084","","","0.22","0.2454","","","","","","1.031","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247190","14.68693","0.00011","42.8432","0.0003","33.8507","0.0002","90","","93.1111","0.0007","90","","21268.7","0.3","155","7","155","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1355","","- C115.44 H96.4 Cd5.6 N14.68 O39.2 -","- C113.52 H93.2 Cd5.6 N14.44 O39.2 -","- C567.6 H466 Cd28 N72.2 O196 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0878","0.0794","","","0.2327","0.2426","","","","","","1.029","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247191","14.615","0.0001","43.0674","0.0003","33.6023","0.0002","90","","93.676","0.001","90","","21106.8","0.2","137.4","0.6","137.4","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1363","","- C94.83 H81.86 Cd4 N10.57 O28.17 -","- C94.8286 H80.4286 Cd4 N10.5714 O28.1714 -","- C663.8 H563 Cd28 N74 O197.2 -","7","1.75","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0822","0.0759","","","0.208","0.2136","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247192","14.75582","0.00016","42.951","0.0003","33.8388","0.0003","90","","93.4415","0.0009","90","","21407.6","0.3","152","4","152","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1393","","- C123 H108.67 Cd4.67 N15 O27.67 -","- C123 H108.667 Cd4.66667 N15 O27.6667 -","- C738 H652 Cd28 N90 O166 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.104","0.0923","","","0.2409","0.2526","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247193","14.6954","0.0002","42.2913","0.0004","33.8929","0.0004","90","","91.649","0.001","90","","21055.3","0.4","149.4","0.8","149.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium dimethylformamide","","- C147.75 H0.25 Cd7 N20.75 O51.75 -","- C146.25 H135.25 Cd7 N20.25 O51.25 -","- C585 H541 Cd28 N81 O205 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0946","0.0751","","","0.2019","0.2235","","","","","","1.02","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247194","14.5221","0.0001","42.7754","0.0002","33.9548","0.0002","90","","93.429","0.001","90","","21054.6","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-penta(dimethlyformamide)-triaqua-hepta cadmium isopropanol","","- C106.46 H110.99 Cd4.67 N14.5 O36 -","- C106.467 H110.833 Cd4.66667 N14.5 O36 -","- C638.8 H665 Cd28 N87 O216 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1602","0.1673","","","","","","1.035","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247195","14.9412","0.0002","42.7238","0.0004","33.8725","0.0004","90","","93.6969","0.0014","90","","21577.3","0.4","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1386","","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C647 H524 Cd27.6 N102 O166.6 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.118","0.1101","","","0.2867","0.2931","","","","","","1.063","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247196","14.0589","0.00012","43.1549","0.0002","33.7222","0.0002","90","","94.5246","0.0007","90","","20395.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1410","","- C110.67 H81.33 Cd4.67 N12.67 O28.67 -","- C110.667 H81.3333 Cd4.66667 N12.6667 O28.6667 -","- C664 H488 Cd28 N76 O172 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0954","0.0797","","","0.2062","0.2236","","","","","","1.046","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247201","36.833","0.005","10.295","0.0014","20.105","0.003","90","","102.065","0.006","90","","7455.3","1.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Cd3 N6 O36 -","- C52 H52 Cd3 N6 O36 -","- C208 H208 Cd12 N24 O144 -","4","0.5","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1367","0.0896","","","0.2264","0.2476","","","","","","1.34","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247202","30.4107","0.0013","30.4107","0.0013","30.414","","90","","90","","90","","28127.2","1.7","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H276 Cu24 N30 O144 -","- C320 H312 Cu24 N40 O144 -","- C640 H624 Cu48 N80 O288 -","2","0.125","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1298","0.0585","","","0.1609","0.2118","","","","","","1.182","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247203","16.0415","0.001","6.6425","0.0004","44.992","0.003","90","","90","","90","","4794.2","0.5","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C224 H200 N8 O56 -","8","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","0.71073","MoKα","","0.0878","0.067","","","0.1828","0.196","","","","","","1.07","","","","has coordinates,has disorder","286734","2023-10-06","00:04:56",""
"7247204","18.9053","0.0006","8.2831","0.0002","20.9395","0.0005","90","","98.594","0.002","90","","3242.19","0.15","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C156 H128 N8 O28 -","4","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","1.54178","CuKα","","0.0604","0.0566","","","0.1742","0.1822","","","","","","1.127","","","","has coordinates","286734","2023-10-06","00:04:57",""
"7247205","18.4305","0.0012","3.7948","0.0002","25.3173","0.0015","90","","90","","90","","1770.69","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 O2 -","- C12 H7 O2 -","- C96 H56 O16 -","8","2","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1136","0.1031","","","0.2383","0.2563","","","","","","1.103","","","","has coordinates,has disorder","286727","2023-10-06","00:03:10",""
"7247206","4.1607","0.0002","14.3681","0.0005","16.2365","0.0005","70.813","0.003","88.318","0.003","83.695","0.003","911.15","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0317","0.0261","","","0.0611","0.0637","","","","","","1.076","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247207","29.444","0.0008","8.5268","0.0002","18.3966","0.0005","90","","91.377","0.003","90","","4617.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F4 I2 N2 -","- C26 H14 F4 I2 N2 -","- C208 H112 F32 I16 N16 -","8","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0217","0.0189","","","0.0469","0.0479","","","","","","1.041","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247208","7.4786","0.0008","8.5409","0.0007","14.6445","0.0011","75.696","0.009","77.44","0.01","88.124","0.008","884.49","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0505","0.04","","","0.1213","0.1316","","","","","","1.078","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247209","4.22529","0.00016","34.4499","0.0015","21.9267","0.001","90","","91.425","0.004","90","","3190.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F8 I4 N2 -","- C32 H14 F8 I4 N2 -","- C128 H56 F32 I16 N8 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0404","0.0283","","","0.0543","0.0582","","","","","","1.026","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247210","34.3394","0.0016","7.4235","0.0003","19.2266","0.001","90","","90","","90","","4901.2","0.4","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H14 F3 I3 N2 -","- C26 H14 F3 I3 N2 -","- C208 H112 F24 I24 N16 -","8","0.5","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0315","0.0252","","","0.0588","0.0631","","","","","","1.051","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247211","18.2877","0.0005","30.6219","0.0007","28.2054","0.001","90","","98.227","0.003","90","","15632.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F3 I3 O2 -","- C18 H8 F3 I3 O2 -","- C576 H256 F96 I96 O64 -","32","8","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1232","0.0665","","","0.139","0.1725","","","","","","1.118","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7247216","10.5137","0.0004","5.4852","0.0002","10.3155","0.0004","90","","110.873","0.002","90","","555.85","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C20 H20 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","x-ray","1.54178","CuKα","","0.0574","0.0406","","","0.1018","0.1134","","","","","","1.036","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247217","9.5647","0.0002","4.6961","0.0001","13.7344","0.0003","90","","97.14","0.001","90","","612.12","0.02","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0432","0.0404","","","0.112","0.1157","","","","","","1.045","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247218","20.0136","0.0006","8.2017","0.0003","9.831","0.0003","90","","90","","90","","1613.71","0.09","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","malonamide-DMSO solvate","N1,N3-bis (5-methylisoxazol-3-yl)malonamide","","- C13 H18 N4 O5 S -","- C13 H18 N4 O5 S -","- C52 H72 N16 O20 S4 -","4","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0366","0.0347","","","0.0965","0.0985","","","","","","1.067","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247219","4.9247","0.0002","9.8219","0.0005","12.0712","0.0006","88.35","0.002","82.491","0.001","88.948","0.002","578.57","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","0.71073","MoKα","","0.0377","0.0355","","","0.087","0.0885","","","","","","1.062","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247220","11.135","0.002","19.665","0.004","21.122","0.004","106.71","0.03","102.08","0.03","104.65","0.03","4082","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 Cl4 N4 O9 Zn2 -","- C88 H88 Cl4 N4 O9 Zn2 -","- C176 H176 Cl8 N8 O18 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.74","synchrotron","","0.1295","0.0669","","","0.2005","0.2321","","","","","","0.871","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247221","6.0205","0.001","18.3","0.003","23.836","0.004","90","","91.674","0.005","90","","2625","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Cl4 N6 O2 Zn2 -","- C58 H52 Cl4 N6 O2 Zn2 -","- C116 H104 Cl8 N12 O4 Zn4 -","2","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.0661","0.0451","","","0.1054","0.1173","","","","","","1.05","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247222","13.164","0.003","17.894","0.004","21.651","0.004","76.66","0.03","72.73","0.03","85.85","0.03","4739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","1","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.63","synchrotron","","0.0868","0.0757","","","0.2352","0.2431","","","","","","1.163","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247223","13.7962","0.0011","17.9965","0.0012","20.997","0.0015","75.579","0.004","72.959","0.005","88.789","0.005","4819.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 Cl4 N4 O4 Zn2 -","- C100 H88 Cl4 N4 O4 Zn2 -","- C200 H176 Cl8 N8 O8 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.2581","0.132","","","0.3165","0.4546","","","","","","1.086","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247224","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.0583","0.0508","","","0.1302","0.134","","","","","","1.001","","","","has coordinates","286725","2023-10-06","00:02:46",""
"7247225","8.0176","0.0006","8.0176","0.0006","15.1832","0.0012","90","","90","","120","","845.25","0.11","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.1271","0.1164","","","0.3415","0.3539","","","","","","1.002","","","","has coordinates","286725","2023-10-06","00:02:47",""
"7247228","7.8341","0.0005","10.1533","0.0006","14.2642","0.0009","90","","90","","90","","1134.6","0.12","293","10","293","10","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Br3 F N Pb -","- C5 H11 Br3 F N Pb -","- C20 H44 Br12 F4 N4 Pb4 -","4","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","x-ray","0.71073","MoKα","","0.079","0.0658","","","0.1615","0.1687","","","","","","1.011","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247229","12.205","0.0003","12.205","0.0003","51.295","0.003","90","","90","","90","","7641","0.5","293","2","293","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Br8 F8 N4 Pb2 -","- C20 H40 Br8 F8 N4 Pb2 -","- C160 H320 Br64 F64 N32 Pb16 -","8","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","","0.71073","MoKα","","0.0979","0.071","","","0.1473","0.1575","","","","","","1.04","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247230","6.1745","0.0003","6.8716","0.0003","28.3078","0.0012","90","","96.189","0.004","90","","1194.06","0.09","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","0.5","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0453","0.041","","","0.0947","0.0958","","","","","","1.381","","","","has coordinates,has disorder","286735","2023-10-06","00:05:06",""
"7247231","6.0569","0.0001","6.933","0.0001","28.5038","0.0003","90","","90","","90","","1196.95","0.03","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0306","0.0306","","","0.0843","0.0843","","","","","","1.187","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247232","56.5791","0.001","6.894","0.0001","6.1018","0.0001","90","","90","","90","","2380.05","0.07","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0544","0.054","","","0.1193","0.1194","","","","","","1.375","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247233","55.8702","0.001","6.9161","0.0002","6.1083","0.0001","90","","90","","90","","2360.27","0.09","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.1201","0.1145","","","0.258","0.2599","","","","","","1.171","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247234","27.8584","0.0009","6.8627","0.0003","6.1547","0.0002","90","","95.84","0.003","90","","1170.57","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C52 H36 Br4 Cl4 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.075","0.0662","","","0.1266","0.1299","","","","","","1.174","","","","has coordinates,has disorder","286735","2023-10-06","00:05:07",""
"7247235","56.4542","0.0012","6.902","0.0002","6.1053","0.0001","90","","90","","90","","2378.91","0.09","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0431","0.0391","","","0.0958","0.0976","","","","","","1.116","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247246","5.5038","0.0003","15.3084","0.0009","9.9468","0.0006","90","","92.58","0.002","90","","837.21","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N4 O6 -","- C16 H14 Cu N4 O6 -","- C32 H28 Cu2 N8 O12 -","2","0.5","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.0619","0.0398","","","0.0736","0.0806","","","","","","1.011","","","","has coordinates","286726","2023-10-06","00:02:55",""
"7247247","9.791","0.0015","6.3116","0.001","28.379","0.004","90","","93.082","0.004","90","","1751.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu N4 O6 -","- C20 H14 Cu N4 O6 -","- C80 H56 Cu4 N16 O24 -","4","1","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.1349","0.0608","","","0.0992","0.1214","","","","","","1","","","","has coordinates","286726","2023-10-06","00:02:56",""
"7247254","18.711","0.005","20.882","0.006","21.381","0.006","110.987","0.009","114.356","0.009","99.657","0.009","6599","3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1824","0.1302","","","0.3554","0.402","","","","","","1.432","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247255","19.854","0.004","20.442","0.004","20.492","0.004","102.885","0.006","116.443","0.005","108.691","0.006","6365","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.2004","0.1303","","","0.3589","0.4174","","","","","","1.352","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247256","30.517","0.004","30.517","0.004","35.19","0.006","90","","90","","90","","32772","8","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H540 Ag148 Br30 S26 -","- C360 H540 Ag148 Br30 S26 -","- C720 H1080 Ag296 Br60 S52 -","2","0.125","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1586","0.1233","","","0.3418","0.3783","","","","","","1.511","","","","has coordinates,has disorder","286740","2023-10-06","00:06:13",""
"7247266","22.261","0.003","14.2526","0.0016","7.7279","0.0011","90","","108.177","0.005","90","","2329.5","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Ag N4 O3 -","- C7 H10 Ag N4 O3 -","- C56 H80 Ag8 N32 O24 -","8","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.1131","0.0893","","","0.2077","0.2186","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247267","12.7466","0.001","17.0131","0.0012","6.1821","0.0004","90","","90","","90","","1340.65","0.17","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 -","- C14 H20 N6 -","- C56 H80 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0831","0.0649","","","0.1183","0.125","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247268","15.4247","0.0006","9.6024","0.0004","10.6881","0.0005","90","","98.793","0.002","90","","1564.45","0.12","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 F6 O6 S2 -","- C10 H14 F6 O6 S2 -","- C40 H56 F24 O24 S8 -","4","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.028","0.025","","","0.0627","0.0642","","","","","","1.094","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247269","6.6612","0.0006","7.092","0.0007","15.1212","0.0015","94.455","0.004","98.312","0.003","90.959","0.004","704.42","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","1","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","","0.71073","MoKα","","0.0558","0.047","","","0.1156","0.1208","","","","","","1.049","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247270","12.5507","0.0004","12.907","0.0005","9.9446","0.0004","90","","108.336","0.001","90","","1529.15","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag N7 O3 -","- C12 H18 Ag N7 O3 -","- C48 H72 Ag4 N28 O12 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0202","0.0172","","","0.0399","0.0415","","","","","","1.031","","","","has coordinates,has disorder","286739","2023-10-06","00:05:56",""
"7247271","8.4768","0.0017","10.883","0.002","13.588","0.003","90","","92.07","0.007","90","","1252.7","0.4","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N6 -","- C12 H18 N6 -","- C48 H72 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0464","0.0403","","","0.0953","0.0981","","","","","","1.136","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247272","27.7261","0.0008","27.7261","0.0008","28.5384","0.0008","90","","90","","90","","21938.5","1.1","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H53 N7 O16 S4 Zn2 -","- C22 H14 N3 O8 S4 Zn2 -","- C352 H224 N48 O128 S64 Zn32 -","16","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0953","0.0642","","","0.1815","0.2136","","","","","","1.059","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247273","13.3634","0.0004","13.3634","0.0004","30.7634","0.0009","90","","90","","90","","5493.7","0.3","299","2","299","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H21 N7 O7 S2 Zn2 -","- C14 H10 N6 O4 S2 Zn2 -","- C112 H80 N48 O32 S16 Zn16 -","8","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0412","0.0399","","","0.121","0.1221","","","","","","1.081","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247275","19.06366","0.0001","9.17342","0.00006","24.46359","0.00014","90","","96.298","0.0005","90","","4252.35","0.04","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cu F3 N6 O3 P2 S -","- C46 H36 Cu F3 N6 O3 P2 S -","- C184 H144 Cu4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0326","0.0309","","","0.0814","0.0825","","","","","","1.048","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247276","13.589","0.003","18.55","0.004","24.627","0.005","80.807","0.003","89.307","0.003","89.793","0.005","6128","2","118","2","118","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C228 H176 Ag8 F24 N24 O24 P8 S8 -","4","2","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","","0.71073","MoKα","","0.087","0.0578","","","0.1248","0.1429","","","","","","1.039","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247277","13.9056","0.0002","22.9786","0.0002","14.7403","0.0002","90","","116.689","0.002","90","","4208.17","0.12","172.97","0.1","172.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Ag F3 N6 O3 P2 S -","- C46 H36 Ag F3 N6 O3 P2 S -","- C184 H144 Ag4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0737","0.0687","","","0.1864","0.1911","","","","","","1.075","","","","has coordinates,has disorder","286746","2023-10-06","00:08:16",""
"7247278","3.889","0.002","13.249","0.008","14.043","0.009","90","","91.986","0.009","90","","723.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0685","0.0562","","","0.1779","0.1929","","","","","","1.154","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247279","22.75","0.007","3.8166","0.0011","17.211","0.005","90","","101.691","0.004","90","","1463.4","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0585","0.0439","","","0.1252","0.1377","","","","","","1.009","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247280","18.046","0.0012","8.3234","0.0005","18.3738","0.0012","90","","118.457","0.003","90","","2426.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C96 H96 N16 Se16 -","8","2","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0694","0.0373","","","0.0609","0.0669","","","","","","0.977","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247281","11.563","0.006","17.139","0.008","4.8436","0.0019","90","","90","","90","","959.9","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C32 H16 N8 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.1206","0.0688","","","0.1798","0.2156","","","","","","1.049","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247282","9.117","0.0012","4.0552","0.0005","11.8113","0.0013","90","","95.91","0.005","90","","434.36","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0214","0.0184","","","0.0422","0.0435","","","","","","1.114","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247283","11.2833","0.0019","18.088","0.003","4.056","0.0007","90","","90","","90","","827.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H2 N2 S Se2 -","- C6 H2 N2 S Se2 -","- C24 H8 N8 S4 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0449","0.0453","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247284","7.4494","0.0015","9.201","0.002","12.306","0.003","74.58","0.008","89.306","0.007","88.669","0.007","812.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","1","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0361","0.032","","","0.0759","0.0783","","","","","","1.136","","","","has coordinates,has disorder","286729","2023-10-06","00:03:34",""
"7247285","8.8342","0.0015","14.079","0.003","7.6447","0.0014","90","","110.592","0.007","90","","890.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 Se2 -","- C20 H14 N4 Se2 -","- C40 H28 N8 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.021","0.0194","","","0.0498","0.0507","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247286","8.3175","0.0007","9.85","0.0005","7.6668","0.0005","90","","101.728","0.007","90","","615.01","0.07","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0557","0.0392","","","0.0905","0.1035","","","","","","1.045","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247287","4.3707","0.0003","11.8303","0.0009","11.8442","0.001","90","","92.985","0.003","90","","611.59","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0242","0.0191","","","0.0415","0.0432","","","","","","1.04","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247288","7.4887","0.0005","7.6756","0.0005","8.0494","0.0005","93.199","0.002","110.363","0.002","95.058","0.003","430.22","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","1","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0293","0.0282","","","0.0619","0.0625","","","","","","1.079","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247289","17.4476","0.0006","9.9715","0.0004","7.8504","0.0003","90","","102.6","0.001","90","","1332.91","0.09","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.022","0.0166","","","0.0351","0.0365","","","","","","1.058","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247290","16.4343","0.0005","16.4343","0.0005","11.4451","0.0004","90","","90","","120","","2677.03","0.15","140","0.1","140","0.1","","","","","","","","5","P 32","P 32","145","","","","- C4 H12 Cl4 I N -","- C4 H12 Cl4 I N -","- C36 H108 Cl36 I9 N9 -","9","3","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0399","0.0353","","","0.0614","0.0643","","","","","","1.027","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247291","8.4156","0.0004","16.0769","0.0006","10.9381","0.0004","90","","103.705","0.004","90","","1437.75","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl4 I N -","- C9 H14 Cl4 I N -","- C36 H56 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0366","0.0281","","","0.043","0.0468","","","","","","1.042","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247292","11.5876","0.0008","11.5876","0.0008","16.4371","0.0015","90","","90","","90","","2207.1","0.3","150","2","150","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C12 H14 Cl8 I2 N2 -","- C12 H14 Cl8 I2 N2 -","- C48 H56 Cl32 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0398","0.03","","","0.0525","0.057","","","","","","1.027","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247293","11.3598","0.0015","8.5116","0.0011","15.14","0.002","90","","110.486","0.004","90","","1371.3","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0517","0.0406","","","0.0966","0.1035","","","","","","1.031","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247294","8.2044","0.0002","9.6553","0.0003","8.2874","0.0002","90","","105.887","0.001","90","","631.42","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Cl5 I N -","- C6 H7 Cl5 I N -","- C12 H14 Cl10 I2 N2 -","2","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.015","0.0145","","","0.0336","0.0338","","","","","","1.053","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247303","20.1166","0.0014","10.6178","0.0007","16.0756","0.0011","90","","108.39","0.0012","90","","3258.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29.2 H27.6 O14.6 Zn3 -","- C29.2 H27.6 O14.6 Zn3 -","- C116.8 H110.4 O58.4 Zn12 -","4","0.5","","Toledo-Jaldín, Helen Paola; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Blanco Flores, Alien; Martínez-Otero, Diego; Reyes Domínguez, Iván A.; Canseco-González, Daniel; Rosales-Vázquez, Luis D.; Salomón-Flores, María K.; Dorazco-González, Alejandro","Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies","CrystEngComm","2023","25","26","3766","3776","10.1039/D3CE00434A","","","0.71073","MoKα","","0.0488","0.0456","","","0.123","0.1257","","","","","","1.068","","","","has coordinates,has disorder","285984","2023-09-04","09:35:59",""
"7247304","15.3926","0.0004","54.654","0.0013","16.2237","0.0004","90","","90","","90","","13648.5","0.6","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H37 Co N4 O8.5 -","- C34 H34 Co N4 O8.5 -","- C544 H544 Co16 N64 O136 -","16","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0903","0.0469","","","0.1148","0.1388","","","","","","1.009","","","","has coordinates,has disorder","287340","2023-11-06","07:25:50",""
"7247305","14.3467","0.0003","24.9926","0.0004","17.2868","0.0003","90","","101.204","0.001","90","","6080.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Co2 N7 O15 -","- C57 H63 Co2 N7 O15 -","- C228 H252 Co8 N28 O60 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1547","0.0758","","","0.2027","0.2461","","","","","","1.015","","","","has coordinates,has disorder","287340","2023-11-06","07:25:53",""
"7247306","27.658","0.0009","11.2065","0.0004","24.7275","0.0008","90","","114.988","0.0016","90","","6946.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Co N4 O9.5 S -","- C34 H37 Co N4 O9.5 S -","- C272 H296 Co8 N32 O76 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0531","0.0357","","","0.1066","0.1222","","","","","","1.043","","","","has coordinates","287340","2023-11-06","07:25:56",""
"7247307","12.7831","0.0007","14.0167","0.001","13.2901","0.001","90","","93.441","0.003","90","","2377","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0512","","","0.0877","0.1023","","","","","","1.023","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247308","14.1784","0.0004","28.3482","0.0007","11.4749","0.0003","90","","103.114","0.0012","90","","4491.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Co N4 O11 S -","- C38 H30 Co N4 O11 S -","- C152 H120 Co4 N16 O44 S4 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1553","0.061","","","0.1208","0.1438","","","","","","1.009","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247309","11.8533","0.0002","14.3536","0.0003","18.8237","0.0004","90","","94.5365","0.0012","90","","3192.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Co N4 O8 -","- C31 H32 Co N4 O8 -","- C124 H128 Co4 N16 O32 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0604","","","0.1471","0.1689","","","","","","1.03","","","","has coordinates","287340","2023-11-06","07:26:09",""
"7247310","21.6886","0.001","12.8559","0.0007","20.7441","0.0011","90","","103.494","0.003","90","","5624.3","0.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Co N2 O9 S -","- C24 H21 Co N2 O9 S -","- C192 H168 Co8 N16 O72 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1104","0.0784","","","0.2166","0.2383","","","","","","1.082","","","","has coordinates,has disorder","287340","2023-11-06","07:26:18",""
"7247311","11.3937","0.0003","22.6845","0.0005","13.7311","0.0003","90","","93.2983","0.0012","90","","3543.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co N4 O11 -","- C39 H36 Co N4 O11 -","- C156 H144 Co4 N16 O44 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0659","0.0593","","","0.1794","0.1848","","","","","","1.036","","","","has coordinates","287340","2023-11-06","07:26:21",""
"7247312","12.8615","0.0004","13.3572","0.0004","13.9703","0.0004","71.1164","0.0014","76.1766","0.0014","88.4604","0.0015","2201.74","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Co N4 O9 -","- C38 H28 Co N4 O9 -","- C76 H56 Co2 N8 O18 -","2","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0587","0.038","","","0.0919","0.0987","","","","","","1.058","","","","has coordinates","287340","2023-11-06","07:26:31",""
"7247313","21.402","0.005","7.777","0.0017","23.478","0.005","90","","90","","90","","3907.8","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H30 Co F6 N4 O9 -","- C41 H30 Co F6 N4 O9 -","- C164 H120 Co4 F24 N16 O36 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0993","0.0672","","","0.1627","0.1807","","","","","","1.05","","","","has coordinates","287340","2023-11-06","07:26:34",""
"7247314","9.4393","0.001","11.7938","0.0012","12.8424","0.0012","75.714","0.003","89.665","0.003","77.614","0.003","1351.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-chloro-phenoxymethyl)mesitylene","","- C30 H27 Cl3 O3 -","- C30 H27 Cl3 O3 -","- C60 H54 Cl6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1039","0.0731","","","0.159","0.1749","","","","","","1.087","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247315","9.645","0.003","12.616","0.004","14.168","0.005","106.195","0.01","93.337","0.01","93.16","0.009","1648.2","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-iodo-phenoxymethyl)mesitylene","","- C30 H27 I3 O3 -","- C30 H27 I3 O3 -","- C60 H54 I6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1102","0.0798","","","0.1896","0.2059","","","","","","1.067","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247316","30.916","0.01","8.682","0.003","25.527","0.008","90","","119.415","0.011","90","","5968","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-tris(4-cyano-phenoxymethyl)mesitylene","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C264 H216 N24 O24 -","8","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1527","0.0999","","","0.2278","0.2567","","","","","","1.095","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247317","9.4811","0.0015","12.591","0.002","13.809","0.002","107.591","0.005","95.204","0.005","91.591","0.005","1562.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-bromo-phenoxymethyl)mesitylene","","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","1","0.5","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1257","0.0839","","","0.2442","0.2816","","","","","","1.044","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247326","11.0587","0.0004","11.8069","0.0005","14.601","0.0006","78.679","0.001","76.705","0.001","77.663","0.001","1790.65","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C74 H72 F6 N18 O8 S2 -","2","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0688","0.0603","","","0.1647","0.1766","","","","","","1.085","","","","has coordinates","287342","2023-11-06","07:27:01",""
"7247327","9.3626","0.0003","18.0718","0.0008","19.7247","0.0009","90","","94.683","0.001","90","","3326.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F3 N9 O4 S -","- C34 H32 F3 N9 O4 S -","- C136 H128 F12 N36 O16 S4 -","4","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0678","0.0507","","","0.1169","0.1262","","","","","","1.048","","","","has coordinates","287342","2023-11-06","07:27:05",""
"7247328","10.125","0.011","18.32","0.02","20.77","0.02","68.4","0.04","89.7","0.04","81.04","0.04","3533","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C148 H144 F12 N36 O16 S4 -","4","2","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.1159","0.1099","","","0.324","0.3363","","","","","","1.568","","","","has coordinates","287342","2023-11-06","07:27:15",""
"7247329","21.7912","0.0013","20.2706","0.0013","10.2341","0.0006","90","","102.939","0.002","90","","4405.8","0.5","120","2","120.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Mn3 N15 O13 -","- C33 H39 Mn3 N15 O13 -","- C132 H156 Mn12 N60 O52 -","4","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0898","0.0546","","","0.1495","0.1674","","","","","","1.049","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247330","10.7765","0.0009","13.3012","0.0011","11.2337","0.001","90","","98.472","0.003","90","","1592.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Mn2 N12 O10 -","- C28 H28 Mn2 N12 O10 -","- C56 H56 Mn4 N24 O20 -","2","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.056","0.0368","","","0.1207","0.1359","","","","","","1.026","","","","has coordinates","287341","2023-11-06","07:26:52",""
"7247331","10.6758","0.0013","12.4221","0.0015","19.041","0.002","82.315","0.001","79.293","0.002","72.475","0.001","2357.8","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","1","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0944","0.0776","","","0.2045","0.2152","","","","","","1.018","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247341","10.7721","0.0003","13.5889","0.0004","13.8513","0.0005","86.809","0.003","74.723","0.003","72.872","0.003","1868.64","0.11","150","2","149.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C88 H70 Fe2 N2 Ni2 O2 P4 S4 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0544","0.0401","","","0.0878","0.0944","","","","","","1.041","","","","has coordinates","287344","2023-11-06","07:27:49",""
"7247342","14.3705","0.0002","17.2455","0.0002","16.2961","0.0002","90","","101.34","0.0013","90","","3959.77","0.09","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C176 H140 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","1.54184","CuKα","","0.0674","0.0593","","","0.1536","0.1593","","","","","","1.065","","","","has coordinates","287344","2023-11-06","07:27:50",""
"7247343","13.944","0.0004","14.063","0.0004","19.8997","0.0006","90","","104.471","0.003","90","","3778.4","0.2","150","2","149.9","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C178 H148 Fe4 N4 Ni4 O6 P8 S8 -","2","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.095","0.1058","","","","","","1.022","","","","has coordinates,has disorder","287344","2023-11-06","07:27:50",""
"7247344","25.212","0.0009","11.5626","0.0006","11.6676","0.0006","90","","90.114","0.005","90","","3401.3","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C152 H104 Cu4 N8 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1501","0.0615","","","0.1092","0.1287","","","","","","0.946","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247345","24.9983","0.0007","11.6753","0.0003","11.664","0.0003","90","","90.396","0.001","90","","3404.2","0.16","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 Ni P S4 -","- C38 H26 N2 Ni P S4 -","- C152 H104 N8 Ni4 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0623","0.0456","","","0.1107","0.1198","","","","","","1.076","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247346","9.6337","0.0003","10.8969","0.0003","13.2465","0.0004","80.138","0.001","89.456","0.001","87.27","0.001","1368.48","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0482","0.0345","","","0.0834","0.0884","","","","","","1.042","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247347","7.7936","0.0004","15.7909","0.0009","14.0517","0.0008","90","","95.771","0.002","90","","1720.55","0.16","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C76 H52 Cu2 N4 P2 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1085","0.0484","","","0.0682","0.078","","","","","","0.925","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247348","13.5065","0.0008","14.3303","0.0009","14.8428","0.001","86.334","0.002","77.455","0.002","70.668","0.002","2646.1","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C124 H92 N4 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1732","0.0675","","","0.1232","0.1466","","","","","","0.934","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247349","11.2071","0.0004","12.4949","0.0005","20.7404","0.0008","84.392","0.001","80.941","0.001","76.747","0.001","2785.96","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 N3 Ni P2 S4 -","- C64 H49 N3 Ni P2 S4 -","- C128 H98 N6 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0776","0.0504","","","0.1002","0.1099","","","","","","1.067","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247350","13.5644","0.0005","14.4462","0.0005","14.8839","0.0005","86.177","0.001","76.389","0.001","70.747","0.001","2675.92","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C124 H92 Cu2 N4 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0878","0.0433","","","0.0886","0.0998","","","","","","1.016","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247351","9.6136","0.0004","10.9075","0.0005","13.3709","0.0006","79.764","0.001","89.324","0.001","87.292","0.001","1378.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0747","0.0449","","","0.0865","0.0987","","","","","","1.055","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247360","9.3792","0.0004","9.3792","0.0004","22.4879","0.0009","90","","90","","120","","1713.21","0.12","100","","100","","","","","","","","","5","P 61","P 61","169","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0327","0.0284","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247361","9.3938","0.0003","9.3938","0.0003","22.5064","0.0008","90","","90","","120","","1719.96","0.1","100.02","","100.02","","","","","","","","","5","P 65","P 65","170","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0312","0.0277","","","0.0465","0.0474","","","","","","1.027","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247362","9.5668","0.0003","23.3692","0.0006","17.0992","0.0003","90","","90","","90","","3822.84","0.17","150.01","0.1","150.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H39 Cd3 N3 O15 -","- C39 H39 Cd3 N3 O15 -","- C156 H156 Cd12 N12 O60 -","4","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1182","0.1266","","","","","","0.961","","","","has coordinates","286747","2023-10-06","00:08:25",""
"7247364","25.615","0.003","14.6148","0.0017","24.466","0.002","90","","113.576","0.004","90","","8394.5","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Dy N O59 P7 W12 -","- C32 H77 Dy N O59 P7 W12 -","- C128 H308 Dy4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.2048","0.1173","","","0.2661","0.311","","","","","","1.097","","","","has coordinates","287330","2023-11-06","07:19:35",""
"7247365","25.749","0.002","14.669","0.0013","24.645","0.003","90","","113.558","0.005","90","","8532.9","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Ho N O59 P7 W12 -","- C32 H77 Ho N O59 P7 W12 -","- C128 H308 Ho4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.155","0.0698","","","0.1308","0.1517","","","","","","1.07","","","","has coordinates","287330","2023-11-06","07:19:41",""
"7247366","25.235","0.003","14.4532","0.0016","24.186","0.003","90","","113.447","0.005","90","","8092.9","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 Tm W12 -","- C32 H77 N O59 P7 Tm W12 -","- C128 H308 N4 O236 P28 Tm4 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1695","0.0886","","","0.198","0.2335","","","","","","1.077","","","","has coordinates","287330","2023-11-06","07:19:55",""
"7247367","25.633","0.002","14.6214","0.0011","24.546","0.002","90","","113.451","0.004","90","","8439.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 W12 Yb -","- C32 H77 N O59 P7 W12 Yb -","- C128 H308 N4 O236 P28 W48 Yb4 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1408","0.0646","","","0.1169","0.1341","","","","","","1.08","","","","has coordinates","287330","2023-11-06","07:20:11",""
"7247368","25.703","0.002","14.6812","0.0013","24.6","0.002","90","","113.535","0.004","90","","8510.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er N O59 P7 W12 -","- C32 H77 Er N O59 P7 W12 -","- C128 H308 Er4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1433","0.0655","","","0.1175","0.1329","","","","","","1.063","","","","has coordinates","287330","2023-11-06","07:20:26",""
"7247369","25.34","0.002","14.4644","0.0013","24.289","0.002","90","","113.49","0.005","90","","8164.8","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Lu N O59 P7 W12 -","- C32 H77 Lu N O59 P7 W12 -","- C128 H308 Lu4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1369","0.0679","","","0.1305","0.1496","","","","","","1.018","","","","has coordinates","287330","2023-11-06","07:20:40",""
"7247370","19.7847","0.0006","10.1109","0.0003","35.7831","0.0012","90","","90.6793","0.0016","90","","7157.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O16 U2 -","- C30 H38 N2 O16 U2 -","- C240 H304 N16 O128 U16 -","8","2","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0534","0.0435","","","0.0891","0.0932","","","","","","1.123","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247371","11.6695","0.0004","12.5806","0.0005","14.2442","0.0004","87.165","0.0013","88.3831","0.0012","84.6902","0.0015","2079.07","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O24 U4 -","- C34 H32 N2 O24 U4 -","- C68 H64 N4 O48 U8 -","2","1","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0229","0.0217","","","0.0521","0.0526","","","","","","1.102","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247372","9.7035","0.0006","9.714","0.0006","10.6933","0.0007","79.359","0.004","75.201","0.003","71.662","0.003","919.03","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0318","0.0298","","","0.0753","0.0769","","","","","","1.069","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247373","11.3984","0.0003","11.401","0.0004","21.9898","0.0009","88.8056","0.0015","79.8563","0.0013","60.8371","0.001","2449.37","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0287","0.0245","","","0.0497","0.0515","","","","","","1.049","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247374","7.0461","0.0007","7.5519","0.0006","9.8725","0.0009","96.563","0.006","102.071","0.006","108.791","0.005","476.88","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0407","0.0365","","","0.0976","0.1019","","","","","","1.067","","","","has coordinates","286749","2023-10-06","00:08:40",""
"7247375","23.936","0.002","5.1742","0.0005","7.7436","0.0007","90","","90","","90","","959.04","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","0.71073","MoKα","","0.0892","0.0345","","","0.0591","0.0693","","","","","","0.827","","","","has coordinates","286749","2023-10-06","00:08:41",""
"7247376","4.9852","0.0003","9.8017","0.0006","10.6338","0.0007","67.729","0.004","86.664","0.004","83.011","0.004","477.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0614","0.0575","","","0.1578","0.1623","","","","","","1.094","","","","has coordinates,has disorder","286749","2023-10-06","00:08:41",""
"7247393","10.1442","0.0005","10.9745","0.0006","17.6401","0.0009","86.956","0.003","83.873","0.003","88.591","0.002","1949.5","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Cu3 I5 N4 -","- C28 H42 Cu3 I5 N4 -","- C56 H84 Cu6 I10 N8 -","2","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.097","0.0817","","","0.2356","0.2512","","","","","","1.085","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247394","15.6992","0.0012","16.7737","0.0012","12.7912","0.0009","90","","107.856","0.004","90","","3206.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cu2 F2 I4 N4 -","- C26 H36 Cu2 F2 I4 N4 -","- C104 H144 Cu8 F8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1132","0.0413","","","0.049","0.0587","","","","","","0.784","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247395","16.3175","0.0004","16.9139","0.0005","12.8313","0.0003","90","","107.318","0.002","90","","3380.8","0.16","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 Cu2 I4 N4 -","- C26 H36 Br2 Cu2 I4 N4 -","- C104 H144 Br8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1205","0.0418","","","0.0627","0.0798","","","","","","0.674","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247396","7.9774","0.0011","8.6192","0.0013","14.768","0.002","81.554","0.004","85.562","0.004","84.147","0.004","997.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","1","0.5","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0584","0.0457","","","0.1185","0.1272","","","","","","1.04","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247397","16.048","0.0005","16.8794","0.0005","12.8451","0.0004","90","","107.618","0.002","90","","3316.29","0.18","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Cu2 I4 N4 -","- C26 H36 Cl2 Cu2 I4 N4 -","- C104 H144 Cl8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0543","0.0328","","","0.0616","0.0683","","","","","","1.01","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247398","9.82977","0.00006","22.43648","0.00014","13.79565","0.00009","90","","108.608","0.0007","90","","2883.51","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 O21 Yb5 -","- C24 H12 O21 Yb5 -","- C96 H48 O84 Yb20 -","4","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.1","","","","has coordinates","287348","2023-11-06","07:28:49",""
"7247399","7.7973","0.0003","9.4775","0.0004","10.6851","0.0004","68.823","0.004","70.748","0.003","74.995","0.003","686.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O9 Yb -","- C12 H12 O9 Yb -","- C24 H24 O18 Yb2 -","2","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0471","0.0477","","","","","","1.05","","","","has coordinates,has disorder","287348","2023-11-06","07:29:02",""
"7247400","9.59605","0.0001","26.1011","0.0003","37.7873","0.0004","90","","90","","90","","9464.49","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 O30 Yb4 -","- C48 H36 O30 Yb4 -","- C384 H288 O240 Yb32 -","8","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0444","0.0344","","","0.0836","0.086","","","","","","1.076","","","","has coordinates","287348","2023-11-06","07:29:13",""
"7247401","13.989","0.003","7.878","0.0019","19.624","0.005","90","","101.67","0.007","90","","2118","0.9","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O8 S -","- C22 H20 N2 O8 S -","- C88 H80 N8 O32 S4 -","4","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0968","0.0577","","","0.1309","0.1466","","","","","","1.039","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247402","8.3923","0.0012","8.5678","0.0012","12.9934","0.0018","79.779","0.003","75.701","0.003","78.675","0.003","879.5","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 S -","- C19 H14 N2 O8 S -","- C38 H28 N4 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0452","0.0397","","","0.1053","0.1097","","","","","","1.046","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247403","8.4052","0.0013","9.4814","0.0014","13.366","0.002","102.279","0.004","106.083","0.004","94.691","0.004","988.8","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 O8 S -","- C18 H20 N3 O8 S -","- C36 H40 N6 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0569","0.0463","","","0.1252","0.1327","","","","","","1.054","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247404","7.5645","0.0008","11.3096","0.0012","18.1129","0.0019","95.837","0.003","97.142","0.003","99.33","0.003","1505.4","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O13 S3 -","- C26 H28 N4 O13 S3 -","- C52 H56 N8 O26 S6 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.1536","0.0857","","","0.1953","0.2262","","","","","","0.986","","","","has coordinates,has disorder","286748","2023-10-06","00:08:34",""
"7247405","5.6484","0.0004","8.1619","0.0006","15.8411","0.0012","81.03","0.002","85.54","0.002","76.678","0.002","701.29","0.09","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O5 S -","- C14 H13 N2 O5 S -","- C28 H26 N4 O10 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.055","0.0414","","","0.1035","0.1105","","","","","","1.049","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247406","18.2829","0.0009","20.7","0.0009","10.448","0.0005","90","","102.276","0.005","90","","3863.7","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H42 Mo8 N40 O22 -","- C16 H42 Mo8 N40 O22 -","- C32 H84 Mo16 N80 O44 -","2","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0475","0.0421","","","0.1234","0.127","","","","","","1.059","","","","has coordinates","287338","2023-11-06","07:24:59",""
"7247407","14.99","0.0002","31.7213","0.0004","46.9852","0.0006","90","","90","","90","","22341.6","0.5","100","0.1","100","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H88 Mo16 N32 Na8 O77 -","- C16 H40 Mo16 N32 Na8 O53 -","- C128 H320 Mo128 N256 Na64 O424 -","8","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0461","0.0434","","","0.1331","0.1357","","","","","","1.048","","","","has coordinates","287338","2023-11-06","07:25:02",""
"7247408","11.8391","0.0003","11.9219","0.0002","25.7883","0.0006","98.134","0.002","97.651","0.002","91.857","0.002","3566.31","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H47 Mo12 N32 Na4 O42 -","- C16 H23 Mo12 N32 Na4 O30 -","- C32 H46 Mo24 N64 Na8 O60 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0903","0.0764","","","0.1987","0.2098","","","","","","1.037","","","","has coordinates","287338","2023-11-06","07:25:03",""
"7247409","11.1739","0.0002","12.6845","0.0003","27.1349","0.0006","83.745","0.002","81.094","0.002","84.215","0.002","3763.17","0.14","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Mo6 N18 O16 -","- C36 H31 Mo6 N18 O16 -","- C72 H62 Mo12 N36 O32 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0892","0.0789","","","0.221","0.231","","","","","","1.051","","","","has coordinates","287338","2023-11-06","07:25:05",""
"7247410","18.5643","0.0012","15.172","0.0014","13.1988","0.0009","90","","104.662","0.003","90","","3596.5","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 O11 -","- C14 H22 N4 O11 -","- C112 H176 N32 O88 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0433","0.0424","","","0.1271","0.1282","","","","","","1.049","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247411","7.9228","0.0002","6.33067","0.00019","29.1969","0.0006","90","","95.122","0.002","90","","1458.57","0.06","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0533","0.042","","","0.1084","0.1155","","","","","","1.043","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247412","27.746","0.004","6.6694","0.001","17.362","0.003","90","","92.936","0.006","90","","3208.6","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C112 H144 N32 O72 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0783","0.0515","","","0.1334","0.1518","","","","","","1.04","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247413","8.8706","0.0005","9.1259","0.0005","11.3422","0.0004","80.367","0.004","69.633","0.004","67.65","0.005","795.46","0.08","213","0.1","213","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O5 -","- C16 H16 N4 O5 -","- C32 H32 N8 O10 -","2","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0458","0.0403","","","0.1092","0.1154","","","","","","1.04","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247415","15.9305","0.0005","7.0439","0.0002","15.4405","0.0006","90","","116.292","0.003","90","","1553.38","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxyma_B","Oxyma B","","- C6 H7 N3 O4 -","- C6 H7 N3 O4 -","- C48 H56 N24 O32 -","8","2","","Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio","An experimental and computational investigation of the elusive anhydrous form of Oxyma-B","CrystEngComm","2023","25","41","5818","5826","10.1039/D3CE00741C","powder diffraction","","1.54175","CuKα","","","","","","","","","14.3642","56.8","","","","","","","has coordinates","287335","2023-11-06","07:23:53",""
"7247418","27.0713","0.0011","9.526","0.0003","24.0085","0.001","90","","93.82","0.004","90","","6177.6","0.4","120","10","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 N22 O18 W -","- C50 H64 Dy2 N22 O18 W -","- C200 H256 Dy8 N88 O72 W4 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0694","0.0406","","","0.078","0.0819","","","","","","1.059","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247419","26.9939","0.0009","9.5351","0.0003","24.0996","0.0007","90","","93.714","0.003","90","","6190","0.3","120","0.1","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 Mo N22 O18 -","- C50 H64 Dy2 Mo N22 O18 -","- C200 H256 Dy8 Mo4 N88 O72 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0705","0.0426","","","0.0964","0.1","","","","","","0.866","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247420","10.5532","0.0009","11.6027","0.001","18.7684","0.0016","92.524","0.002","95.871","0.002","108.109","0.002","2165.8","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Dy Mo N15 O16.5 -","- C31 H39 Dy Mo N15 O16.5 -","- C62 H78 Dy2 Mo2 N30 O33 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0461","0.0365","","","0.0818","0.087","","","","","","1.046","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247421","10.4246","0.0011","11.7295","0.0011","18.732","0.0019","93.031","0.003","95.698","0.003","108.135","0.003","2157.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 Dy N15 O16.5 W -","- C29 H48 Dy N15 O16.5 W -","- C58 H96 Dy2 N30 O33 W2 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0488","0.0378","","","0.08","0.0847","","","","","","1.081","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247422","11.7573","0.0006","11.5545","0.0007","15.8209","0.001","90","","106.604","0.002","90","","2059.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cd N3 O7 S -","- C18 H21 Cd N3 O7 S -","- C72 H84 Cd4 N12 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","","0.71073","MoKα","","0.0458","0.0325","","","0.0672","0.0737","","","","","","1.081","","","","has coordinates","287347","2023-11-06","07:28:21",""
"7247423","11.5878","0.0012","17.7103","0.0012","13.2737","0.0013","90","","114.676","0.012","90","","2475.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cd N5 O7 S -","- C23 H23 Cd N5 O7 S -","- C92 H92 Cd4 N20 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0726","0.0587","","","0.1461","0.1531","","","","","","1.05","","","","has coordinates","287347","2023-11-06","07:28:23",""
"7247424","5.73025","0.00007","8.1274","0.00011","12.86566","0.00018","74.1108","0.0012","89.5736","0.0011","84.1958","0.0011","573.204","0.014","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","1","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0772","0.079","","","","","","1.104","","","","has coordinates","287347","2023-11-06","07:28:33",""
"7247425","7.364","0.0001","23.3599","0.0003","19.2032","0.0003","90","","93.423","0.001","90","","3297.49","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cd2 N14 O20 S2 -","- C62 H68 Cd2 N14 O20 S2 -","- C124 H136 Cd4 N28 O40 S4 -","2","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0428","0.0385","","","0.1035","0.1066","","","","","","1.077","","","","has coordinates","287347","2023-11-06","07:28:36",""
"7247426","11.053","0.012","11.22","0.012","13.17","0.014","80.21","0.03","80.56","0.03","75.51","0.03","1546","3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","","0.71073","MoKα","","0.0521","0.0354","","","0.0569","0.0632","","","","","","1.066","","","","has coordinates","287337","2023-11-06","07:24:33",""
"7247427","10.8225","0.0003","11.1813","0.0003","12.9331","0.0004","79.542","0.003","79.911","0.002","75.815","0.002","1478.02","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","x-ray","1.54178","CuKα","","0.0792","0.0783","","","0.2215","0.2218","","","","","","1.179","","","","has coordinates","287337","2023-11-06","07:24:44",""
"7247429","15.7355","0.0006","8.0029","0.0003","31.7701","0.0013","90","","90","","90","","4000.8","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C232 H136 N8 S8 -","8","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.1263","0.0904","","","0.2221","0.2562","","","","","","0.891","","","","has coordinates","287331","2023-11-06","07:21:14",""
"7247430","13.152","0.0005","14.0836","0.0005","12.0152","0.0005","90","","115.009","0.001","90","","2016.88","0.14","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0596","0.0427","","","0.1018","0.1161","","","","","","1.063","","","","has coordinates","287331","2023-11-06","07:21:20",""
"7247431","7.731","0.0006","8.1036","0.0005","32.103","0.002","90","","90","","90","","2011.2","0.2","294","2","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0911","0.0421","","","0.084","0.1063","","","","","","1.085","","","","has coordinates","287331","2023-11-06","07:21:25",""
"7247442","7.0782","0.0007","12.8899","0.0012","17.2503","0.0015","90","","90","","90","","1573.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0359","0.0339","","","0.0878","0.0896","","","","","","1.079","","","","has coordinates","287350","2023-11-06","07:29:57",""
"7247443","11.404","0.008","12.721","0.008","15.241","0.011","90","","109.811","0.008","90","","2080","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0433","0.0397","","","0.1051","0.1084","","","","","","1.085","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247444","22.923","0.003","11.7148","0.0014","11.64","0.0018","90","","92.091","0.006","90","","3123.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0609","0.0508","","","0.1253","0.1327","","","","","","1.12","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247445","18.809","0.003","3.8575","0.0006","29.184","0.005","90","","98.486","0.007","90","","2094.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0477","0.0362","","","0.079","0.0829","","","","","","1.043","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247446","10.5285","0.0011","7.097","0.0007","19.468","0.002","90","","99.747","0.007","90","","1433.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 N2 O -","- C16 H12 Cl2 N2 O -","- C64 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0646","0.0451","","","0.0904","0.097","","","","","","1.073","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247447","10.3339","0.0014","7.2993","0.001","14.544","0.0019","90","","104.972","0.007","90","","1059.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0407","0.0343","","","0.084","0.0875","","","","","","1.05","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247448","5.789","0.007","14.243","0.019","12.602","0.016","90","","98.64","0.03","90","","1027","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.035","0.032","","","0.0829","0.0849","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247449","10.5269","0.0011","12.0193","0.0012","13.2546","0.0014","90","","113.08","0.005","90","","1542.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0454","0.0355","","","0.0803","0.0842","","","","","","1.053","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247450","7.4028","0.0009","7.9597","0.001","9.349","0.0012","100.674","0.007","94.021","0.007","100.27","0.007","529.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","1","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0577","0.0426","","","0.0979","0.1052","","","","","","1.054","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247451","3.8427","0.0006","17.047","0.003","11.6457","0.0018","90","","97.752","0.007","90","","755.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0535","0.0418","","","0.0736","0.0769","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247452","7.9894","0.0016","9.4955","0.0019","15.762","0.003","85.572","0.006","79.226","0.006","71.653","0.005","1114.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 N2 O2 -","- C24 H16 Cl4 N2 O2 -","- C48 H32 Cl8 N4 O4 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.1219","0.0616","","","0.1145","0.1343","","","","","","1.019","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247453","8.0784","0.0006","8.0784","0.0006","32.831","0.005","90","","90","","90","","2142.6","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0308","0.0302","","","0.0768","0.0772","","","","","","1.095","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247454","8.127","0.0015","8.5365","0.0015","11.656","0.002","75.042","0.005","86.122","0.006","78.916","0.006","766.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0452","0.0367","","","0.0887","0.0928","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247455","20.8278","0.0003","14.7244","0.0003","7.739","0.0002","90","","93.831","0.002","90","","2368.07","0.09","299.6","0.7","299.6","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Mn N4 O5 -","- C25 H24 Mn N4 O5 -","- C100 H96 Mn4 N16 O20 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.0815","0.0875","","","","","","1.042","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247456","20.3665","0.001","4.5514","0.0002","21.1136","0.0009","90","","101.761","0.005","90","","1916.06","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10.5 H9 Mn0.5 N2 O3 -","- C10.5 H9 Mn0.5 N2 O3 -","- C84 H72 Mn4 N16 O24 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0799","0.0516","","","0.1153","0.1294","","","","","","1.046","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247457","22.1459","0.0003","12.0673","0.0002","12.5517","0.0002","90","","90","","90","","3354.33","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Mn2 N10 O13 -","- C24 H28 Mn2 N10 O13 -","- C96 H112 Mn8 N40 O52 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0892","0.0876","","","0.2234","0.2242","","","","","","1.191","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247458","11.4647","0.0004","15.947","0.0006","13.4871","0.0003","90","","90","","90","","2465.81","0.14","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H11 Mn N4 O6.5 -","- C9 H11 Mn N4 O6.5 -","- C72 H88 Mn8 N32 O52 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0639","0.0396","","","0.0759","0.086","","","","","","1.032","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247459","14.414","0.003","10.48","0.002","7.74","0.0015","90","","105.64","0.03","90","","1125.9","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Mn N4 O6 -","- C9 H10 Mn N4 O6 -","- C36 H40 Mn4 N16 O24 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","Synchrotron","","0.0722","0.0645","","","0.1695","0.1761","","","","","","1.093","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247460","12.318","0.003","12.9645","0.0013","9.0482","0.0012","90","","107.377","0.015","90","","1379","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H23 Mn2 N9 O11 -","- C21 H23 Mn2 N9 O11 -","- C42 H46 Mn4 N18 O22 -","2","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0672","0.0618","","","0.1626","0.1673","","","","","","1.084","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247461","23.2881","0.0007","10.4868","0.0002","24.8587","0.0008","90","","114.461","0.004","90","","5526","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H18.83 Mn N4.83 O4.83 -","- C23.4999 H18.8331 Mn N4.8333 O4.8333 -","- C187.999 H150.665 Mn8 N38.6664 O38.6664 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0939","0.0825","","","0.2457","0.2577","","","","","","1.04","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247462","9.1364","0.0001","16.5273","0.0003","21.5295","0.0003","90","","101.798","0.001","90","","3182.28","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Mn2 N8 O12 -","- C26 H36 Mn2 N8 O12 -","- C104 H144 Mn8 N32 O48 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","MoKα","","0.0526","0.0365","","","0.0791","0.086","","","","","","1.038","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247463","9.115","0.0004","9.115","0.0004","10.2056","0.0006","90","","90","","90","","847.91","0.07","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","sodium cobalt (II, III) posphate cloride","","- Cl4 Co7.38 Na O16 P4 -","- Cl4 Co7.38 Na O16 P4 -","- Cl8 Co14.76 Na2 O32 P8 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga","NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype","CrystEngComm","2023","25","43","6006","6016","10.1039/D3CE00819C","","","0.71073","MoKα","","0.0172","0.0164","","","0.0358","0.036","","","","","","1.302","","","","has coordinates","288778","2024-01-06","07:54:54",""
"7247464","26.806","0.004","7.7681","0.001","20.357","0.003","90","","112.251","0.003","90","","3923.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N7 O11 -","- C16 H11 N7 O11 -","- C128 H88 N56 O88 -","8","2","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.1105","0.0702","","","0.1647","0.187","","","","","","1.054","","","","has coordinates","287336","2023-11-06","07:24:10",""
"7247465","6.2299","0.0006","7.4168","0.0007","12.7696","0.0012","103.819","0.003","90.179","0.003","95.701","0.003","569.9","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","1","0.5","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.0898","0.0503","","","0.1166","0.1346","","","","","","1.016","","","","has coordinates","287336","2023-11-06","07:24:15",""
"7247467","15.3694","0.0003","5.216","0.0001","22.3953","0.0005","90","","97.797","0.002","90","","1778.76","0.06","200","0.1","200","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0496","0.0426","","","0.1139","0.1191","","","","","","1.022","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247468","12.7762","0.0004","5.23515","0.00015","14.4736","0.0005","90","","111.409","0.004","90","","901.27","0.06","260.01","0.1","260.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.049","0.0418","","","0.1185","0.1241","","","","","","1.059","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247469","12.8223","0.0005","5.245","0.0002","14.5064","0.0005","90","","111.569","0.004","90","","907.28","0.06","290","0.1","290","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0519","0.0433","","","0.1203","0.1268","","","","","","1.08","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247470","12.8072","0.0004","5.24245","0.00015","14.4951","0.0004","90","","111.513","0.004","90","","905.42","0.05","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0516","0.0436","","","0.1207","0.1273","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247471","12.747","0.0004","5.22886","0.00014","14.4507","0.0004","90","","111.302","0.003","90","","897.37","0.05","239.99","0.1","239.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0465","0.0404","","","0.1106","0.1152","","","","","","1.045","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247472","12.7632","0.0004","5.23201","0.00015","14.4635","0.0004","90","","111.364","0.004","90","","899.46","0.05","250","0.1","250","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1148","0.1196","","","","","","1.069","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247473","15.4013","0.0004","5.2236","0.0001","22.451","0.0006","90","","97.71","0.002","90","","1789.86","0.08","230","0.1","230","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0652","0.0482","","","0.1485","0.162","","","","","","1.06","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247474","15.3811","0.0003","5.21845","0.00012","22.4123","0.0005","90","","97.767","0.002","90","","1782.43","0.07","210","0.1","210","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0429","","","0.1207","0.1272","","","","","","1.049","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247475","15.3909","0.0004","5.22159","0.00012","22.4298","0.0006","90","","97.735","0.002","90","","1786.17","0.08","220","0.1","220","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0562","0.0451","","","0.1346","0.1434","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247476","12.7932","0.0005","5.23468","0.00018","14.4811","0.0006","90","","111.423","0.005","90","","902.77","0.07","269.99","0.1","269.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0424","","","0.1159","0.1232","","","","","","1.04","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247477","15.4043","0.0004","5.2267","0.0001","22.4631","0.0006","90","","97.697","0.003","90","","1792.29","0.08","235","0.1","235","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0696","0.0493","","","0.1505","0.165","","","","","","1.071","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247478","7.1034","0.0006","7.4941","0.0006","15.5567","0.0012","100.593","0.003","91.274","0.003","111.564","0.003","753.39","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","2","","Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations","CrystEngComm","2023","25","45","6279","6290","10.1039/D3CE00766A","","","0.71073","MoKα","","0.077","0.0584","","","0.1461","0.154","","","","","","1.147","","","","has coordinates,has disorder","288807","2024-01-06","08:05:42",""
"7247481","13.6491","0.0008","16.3995","0.0007","15.8476","0.0009","90","","102.302","0.005","90","","3465.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 -","- C36 H42 N8 O6 -","- C144 H168 N32 O24 -","4","1","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0607","0.0407","","","0.1011","0.1075","","","","","","0.952","","","","has coordinates","287333","2023-11-06","07:21:41",""
"7247482","16.4758","0.0008","14.6068","0.0009","19.2419","0.001","90","","114.749","0.004","90","","4205.4","0.4","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0675","0.0593","","","0.1649","0.172","","","","","","1.101","","","","has coordinates","287333","2023-11-06","07:21:53",""
"7247493","10.9437","0.0002","21.7335","0.0003","25.2207","0.0004","90","","90","","90","","5998.61","0.17","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C160 H200 Ag12 Cl16 F72 N8 P12 S32 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0732","0.0608","","","0.1562","0.1647","","","","","","1.045","","","","has coordinates,has disorder","288780","2024-01-06","07:55:17",""
"7247494","11.5778","0.0007","12.0547","0.0007","12.4212","0.0008","90","","111.23","0.004","90","","1615.94","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H31 Ag2 F6 N O6 S4 -","- C25 H31 Ag2 F6 N O6 S4 -","- C50 H62 Ag4 F12 N2 O12 S8 -","2","1","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0349","0.032","","","0.0659","0.0675","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:27",""
"7247495","24.3861","0.0009","10.5716","0.0004","24.9876","0.0009","90","","106.3","0.002","90","","6182.9","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C172 H192 Ag16 Cl8 F48 N8 O48 S48 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0438","0.0365","","","0.0921","0.097","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:29",""
"7247514","7.687","0.0015","16.132","0.003","14.951","0.003","90","","100.35","0.03","90","","1823.9","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)-2-(10-oxoanthracen-9(10H)-ylidene)acetonitrile","","- C26 H15 N O -","- C26 H15 N O -","- C104 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0836","0.0687","","","0.217","0.2286","","","","","","1.132","","","","has coordinates","288804","2024-01-06","08:03:43",""
"7247515","16.899","0.003","5.502","0.0011","41.337","0.008","90","","90","","90","","3843.4","1.3","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C54 H33 Cl N2 -","- C54 H33.011 Cl0.989 N2 -","- C216 H132.044 Cl3.956 N8 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0521","0.0419","","","0.1112","0.1166","","","","","","1.023","","","","has coordinates,has disorder","288804","2024-01-06","08:03:44",""
"7247516","20.818","0.004","5.388","0.0011","17.241","0.003","90","","107.1","0.03","90","","1848.4","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C27 H17 N -","- C27 H17 N -","- C108 H68 N4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.63","synchrotron","","0.0577","0.0475","","","0.1404","0.1473","","","","","","1.102","","","","has coordinates","288804","2024-01-06","08:03:44",""
"7247517","7.1203","0.0004","12.9924","0.0007","16.795","0.001","90.201","0.002","98.985","0.001","98.48","0.002","1517.3","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N5 O4 -","- C33 H35 N5 O4 -","- C66 H70 N10 O8 -","2","1","","Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong","A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention","CrystEngComm","2023","25","46","6405","6415","10.1039/D3CE00535F","","","0.71073","MoKα","","0.1021","0.0555","","","0.125","0.1611","","","","","","1","","","","has coordinates","288788","2024-01-06","07:56:53",""
"7247520","9.231","0.0002","11.1587","0.0002","11.8072","0.0002","109.53","0.002","108.436","0.002","100.043","0.002","1032.67","0.04","152","5","152","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F N2 O11 -","- C23 H19 F N2 O11 -","- C46 H38 F2 N4 O22 -","2","1","","Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei","A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability","CrystEngComm","2023","25","44","6171","6179","10.1039/D3CE00794D","","x-ray","1.54184","CuKα","","0.0487","0.046","","","0.1259","0.1277","","","","","","1.033","","","","has coordinates","288772","2024-01-06","07:53:34",""
"7247534","8.4502","0.0004","21.4984","0.0012","8.7348","0.0006","90","","105.103","0.003","90","","1532","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","1","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0822","0.0383","","","0.057","0.0659","","","","","","0.77","","","","has coordinates","288777","2024-01-06","07:54:34",""
"7247535","9.7329","0.0016","12.393","0.002","14.382","0.002","78.384","0.009","72.269","0.009","72.195","0.009","1562","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","2","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0792","0.0413","","","0.0775","0.0901","","","","","","0.893","","","","has coordinates","288777","2024-01-06","07:54:35",""
"7247536","9.0392","0.0004","9.0518","0.0003","13.7313","0.0006","76.202","0.001","74.883","0.001","67.225","0.001","988.05","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","N,N'-bis(5-phenyl-5H-dibenzo[a,d][7]annulen-5-yl)ethane-1,2-diamine pyridine clathrate","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0838","0.0476","","","0.1062","0.13","","","","","","1.082","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247537","8.9716","0.0005","9.2886","0.0005","13.8221","0.0008","75.212","0.003","76.005","0.003","66.684","0.003","1009.8","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C54 H50 N4 -","- C54 H50 N4 -","- C54 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.058","0.0406","","","0.0875","0.0974","","","","","","1.047","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247538","8.7173","0.0006","11.2718","0.0008","12.6826","0.0009","108.163","0.003","105.764","0.002","104.337","0.002","1061.65","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0474","0.0392","","","0.102","0.1095","","","","","","1.029","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247539","9.0013","0.0003","26.7346","0.0009","9.0416","0.0003","90","","114.066","0.002","90","","1986.7","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C106 H101 N7 -","- C106 H101 N7 -","- C106 H101 N7 -","1","0.25","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0658","0.0499","","","0.1238","0.1362","","","","","","1.019","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247540","8.9471","0.001","9.974","0.0011","13.4375","0.0014","73.488","0.004","75.543","0.004","74.301","0.004","1087.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0715","0.0604","","","0.1718","0.1859","","","","","","1.049","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247541","13.3215","0.0013","6.9213","0.0005","13.3412","0.0015","90","","105.928","0.01","90","","1182.9","0.2","100","2","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 7-fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborole-4-carboxylate","","- C10 H12 B F O4 Si -","- C10 H12 B F O4 Si -","- C40 H48 B4 F4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0664","0.0528","","","0.1395","0.153","","","","","","1.024","","","","has coordinates","288806","2024-01-06","08:04:30",""
"7247542","8.3772","0.0003","11.1912","0.0003","12.2672","0.0004","90","","102.988","0.003","90","","1120.64","0.06","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C36 H40 B4 F12 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0928","0.0942","","","","","","1.041","","","","has coordinates","288806","2024-01-06","08:04:41",""
"7247543","9.9043","0.0004","9.509","0.0003","12.4382","0.0005","90","","108.389","0.005","90","","1111.61","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-cyano-7-fluoro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H9 B F N O2 Si -","- C9 H9 B F N O2 Si -","- C36 H36 B4 F4 N4 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0445","0.0362","","","0.0878","0.0935","","","","","","1.073","","","","has coordinates","288806","2024-01-06","08:04:45",""
"7247544","7.5415","0.0002","6.9154","0.0002","10.0942","0.0002","90","","95.474","0.002","90","","524.04","0.02","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,1-dimethyl-7-fluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H10 B F O3 Si -","- C9 H10 B F O3 Si -","- C18 H20 B2 F2 O6 Si2 -","2","0.5","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0374","0.0333","","","0.0925","0.0961","","","","","","1.078","","","","has coordinates","288806","2024-01-06","08:04:58",""
"7247545","14.5174","0.0004","10.1711","0.0001","14.6098","0.0008","90","","95.774","0.006","90","","2146.31","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C64 H80 B8 Cl8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0805","0.0813","","","","","","1.059","","","","has coordinates","288806","2024-01-06","08:05:03",""
"7247546","13.6654","0.0006","18.404","0.0007","8.4758","0.0003","90","","96.021","0.004","90","","2119.89","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-6-cyano-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B N O2 Si -","- C9 H10 B N O2 Si -","- C72 H80 B8 N8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0423","0.035","","","0.0921","0.0985","","","","","","1.027","","","","has coordinates","288806","2024-01-06","08:05:14",""
"7247547","8.9458","0.0003","10.0166","0.0004","25.8341","0.0009","90","","90","","90","","2314.9","0.15","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1-dimethyl-6-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0788","0.0521","","","0.1043","0.1165","","","","","","0.998","","","","has coordinates","288806","2024-01-06","08:05:17",""
"7247548","14.0599","0.0009","10.9765","0.0002","14.9951","0.0016","90","","94.876","0.011","90","","2305.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C72 H80 B8 F24 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0782","0.0499","","","0.1219","0.1386","","","","","","1.035","","","","has coordinates","288806","2024-01-06","08:05:18",""
"7247549","7.0678","0.0002","16.2162","0.0003","12.8481","0.0003","90","","97.58","0.002","90","","1459.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-7-(dihydroxyborono)-2,1,3-benzoxasilaborol-3(1H)-ol","","- C11 H18 B2 O5 Si -","- C11 H18 B2 O5 Si -","- C44 H72 B8 O20 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0676","0.0438","","","0.1094","0.124","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:20",""
"7247550","15.6371","0.0001","15.6371","0.0001","17.646","0.0002","90","","90","","90","","4314.78","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","6-bromo-1,1-dimethyl-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B Br O2 Si -","- C8 H10 B Br O2 Si -","- C128 H160 B16 Br16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0371","0.0239","","","0.0533","0.0583","","","","","","1.046","","","","has coordinates","288806","2024-01-06","08:05:23",""
"7247551","15.507","0.0001","15.507","0.0001","17.3326","0.0002","90","","90","","90","","4167.92","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-chloro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C128 H160 B16 Cl16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.54178","CuKα","","0.0307","0.0304","","","0.0865","0.0868","","","","","","1.095","","","","has coordinates","288806","2024-01-06","08:05:24",""
"7247552","15.5827","0.0001","15.5827","0.0001","17.2392","0.0003","90","","90","","90","","4186.03","0.08","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 B O3 Si -","- C9 H11 B O3 Si -","- C144 H176 B16 O48 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0787","0.0527","","","0.1256","0.1427","","","","","","1.023","","","","has coordinates,has disorder","288806","2024-01-06","08:05:24",""
"7247553","12.917","0.0004","9.3267","0.0002","18.3757","0.0008","90","","91.43","0.005","90","","2213.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-dichloro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B Cl2 O2 Si -","- C8 H9 B Cl2 O2 Si -","- C64 H72 B8 Cl16 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0546","0.0379","","","0.0855","0.0941","","","","","","1.057","","","","has coordinates","288806","2024-01-06","08:05:27",""
"7247554","7.0164","0.0003","12.3417","0.0006","18.5513","0.001","93.405","0.004","93.926","0.004","105.818","0.004","1536.87","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C48 H54 B6 F12 O12 Si6 -","6","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1219","0.1298","","","","","","1.063","","","","has coordinates","288806","2024-01-06","08:05:29",""
"7247555","8.5329","0.0004","17.0749","0.0004","13.9049","0.0009","90","","101.787","0.007","90","","1983.2","0.17","100","2","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-5-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0533","0.0424","","","0.0975","0.1044","","","","","","1.028","","","","has coordinates","288806","2024-01-06","08:05:32",""
"7247556","6.9101","0.0004","8.4399","0.0004","10.1501","0.0004","86.142","0.004","72.322","0.004","70.59","0.005","531.58","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-6,7-difluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H9 B F2 O3 Si -","- C9 H9 B F2 O3 Si -","- C18 H18 B2 F4 O6 Si2 -","2","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0327","0.0293","","","0.0845","0.0878","","","","","","1.033","","","","has coordinates","288806","2024-01-06","08:05:33",""
"7247557","14.4016","0.0009","8.5877","0.0003","25.338","0.002","90","","95.665","0.009","90","","3118.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C96 H108 B12 F24 O24 Si12 -","12","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.5418","CuKα","","0.0448","0.0376","","","0.0989","0.1047","","","","","","1.056","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247558","6.6288","0.0002","11.6079","0.0004","29.9883","0.0012","90","","90","","90","","2307.49","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1-dimethyl-7-iodo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B I O2 Si -","- C8 H10 B I O2 Si -","- C64 H80 B8 I8 O16 Si8 -","8","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0804","0.0593","","","0.1166","0.1264","","","","","","1.154","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247559","8.616","0.0002","9.8164","0.0003","17.2931","0.0004","103.181","0.002","93.671","0.002","100.986","0.002","1389.12","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1-dimethyl-7-(trimethylsilyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C11 H19 B O2 Si2 -","- C11 H19 B O2 Si2 -","- C44 H76 B4 O8 Si8 -","4","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.045","0.0378","","","0.0997","0.1059","","","","","","1.031","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247560","15.8197","0.0002","15.8197","0.0002","18.3035","0.0005","90","","90","","90","","4580.69","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C144 H160 B16 F48 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.09","0.0953","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247561","8.3266","0.0001","6.6782","0.0001","18.9086","0.0002","90","","96.84","0.001","90","","1043.96","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C32 H36 B4 F8 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0962","0.0969","","","","","","1.136","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247562","15.3391","0.0001","15.3391","0.0001","16.9322","0.0003","90","","90","","90","","3983.94","0.08","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C128 H160 B16 F16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0672","0.0374","","","0.0866","0.0996","","","","","","1.026","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247563","11.1355","0.0012","10.6673","0.0003","12.051","0.003","90","","112.31","0.03","90","","1324.3","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,6,6-tetramethyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,2,5]oxasilaborol-3(1H)-ol","","- C11 H15 B O4 Si -","- C11 H15 B O4 Si -","- C44 H60 B4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0556","0.0417","","","0.1083","0.1181","","","","","","1.044","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247564","7.9293","0.0007","8.574","0.0007","11.9825","0.001","81.591","0.002","88.173","0.002","89.232","0.002","805.44","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Manganese-organic Compound","","","- C17 H16 Mn0.5 N4 O3 -","- C17 H16 Mn0.5 N4 O3 -","- C34 H32 Mn N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.087","0.071","","","0.11","0.1152","","","","","","1.225","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247565","7.9266","0.0008","8.5888","0.0008","11.8991","0.0011","82.016","0.003","87.908","0.003","89.364","0.003","801.69","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Iron-organic Compound","","","- C17 H16 Fe0.5 N4 O3 -","- C17 H16 Fe0.5 N4 O3 -","- C34 H32 Fe N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.0667","0.0504","","","0.101","0.1077","","","","","","1.09","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247566","22.3092","0.0014","7.1387","0.0005","7.1638","0.0005","90","","98.471","0.002","90","","1128.45","0.13","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Br2 La3 S5 -","- As Br2 La3 S5 -","- As4 Br8 La12 S20 -","4","1","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0444","0.0444","","","0.1058","0.1058","","","","","","0.832","","","","has coordinates","288811","2024-01-06","08:06:43",""
"7247567","7.0472","0.0003","7.1152","0.0003","37.1137","0.0013","90","","90","","90","","1860.96","0.13","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- As2 Cl3 La5 S9 -","- As2 Cl3 La5 S9 -","- As8 Cl12 La20 S36 -","4","0.5","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0414","0.0398","","","0.1123","0.1138","","","","","","1.046","","","","has coordinates","288811","2024-01-06","08:06:53",""
"7247568","19.794","0.0002","19.794","0.0002","9.0285","0.0001","90","","90","","120","","3063.47","0.06","155","7","155","7","","","","","","","","6","P 63","P 6c","173","","MHOF-PO4-2","","- C45 H63 Cu3 N6 O16 P -","- C45 H63 Cu3 N6 O16 P -","- C90 H126 Cu6 N12 O32 P2 -","2","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0203","0.0199","","","0.0536","0.0541","","","","","","1.084","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247569","37.4254","0.0002","37.4254","0.0002","37.4254","0.0002","90","","90","","90","","52420.3","0.5","100","0.3","100","0.3","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","MHOF-PO4-1","","- C45 H69 Cu3 N6 O19 P -","- C45 H69 Cu3 N6 O19 P -","- C1440 H2208 Cu96 N192 O608 P32 -","32","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0651","0.0538","","","0.1547","0.1632","","","","","","0.992","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247577","10.807","0.0006","11.9118","0.0007","12.0215","0.0007","118.315","0.001","98.197","0.002","98.075","0.002","1309.44","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N5 O4 Zn -","- C31 H19 N5 O4 Zn -","- C62 H38 N10 O8 Zn2 -","2","1","","Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun","2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4−","CrystEngComm","2023","25","46","6424","6433","10.1039/D3CE00961K","","","0.71073","MoKα","","0.1473","0.0735","","","0.1679","0.2099","","","","","","1.027","","","","has coordinates,has disorder","288783","2024-01-06","07:56:14",""
"7247579","4.83768","0.00017","14.8178","0.0005","20.0275","0.0006","90","","95.964","0.003","90","","1427.88","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0649","0.0568","","","0.1666","0.1731","","","","","","1.092","","","","has coordinates","288773","2024-01-06","07:53:45",""
"7247580","4.7204","0.0001","21.155","0.0005","15.1364","0.0003","90","","92.616","0.002","90","","1509.95","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1075","0.1102","","","","","","1.067","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247581","4.4714","0.0001","9.3275","0.0002","17.7797","0.0005","90","","90.109","0.002","90","","741.54","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H15 N O7 S -","- C15 H15 N O7 S -","- C30 H30 N2 O14 S2 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0265","0.026","","","0.0708","0.0711","","","","","","1.073","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247582","4.7037","0.0001","20.9656","0.0003","14.8427","0.0002","90","","92.196","0.001","90","","1462.65","0.04","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.046","0.0392","","","0.0992","0.1029","","","","","","1.044","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247583","7.9912","0.0001","21.7863","0.0002","9.0403","0.0001","90","","100.091","0.001","90","","1549.56","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O7 P -","- C15 H16 N O7 P -","- C60 H64 N4 O28 P4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0293","0.0284","","","0.0736","0.0742","","","","","","1.066","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247584","3.89223","0.00004","10.76523","0.0001","15.40737","0.00014","109.037","0.0008","94.011","0.0008","90.8565","0.0008","608.291","0.011","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0934","0.0944","","","","","","1.086","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247585","3.82566","0.00003","15.0716","0.00006","21.1995","0.00009","90","","92.4431","0.0005","90","","1221.23","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0346","0.0339","","","0.0887","0.0893","","","","","","1.057","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247591","6.9004","0.0007","10.5029","0.0011","15.8453","0.0017","95.066","0.004","92.516","0.004","100.761","0.003","1121.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C50 H56 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0414","0.0375","","","0.104","0.1075","","","","","","1.058","","","","has coordinates","288774","2024-01-06","07:53:56",""
"7247592","7.0715","0.001","10.4603","0.0014","15.71","0.002","95.12","0.004","94.102","0.005","99.743","0.004","1136.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C50 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0501","0.0462","","","0.1347","0.1389","","","","","","1.131","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247593","7.0766","0.0014","10.505","0.002","15.939","0.003","95.513","0.006","93.85","0.006","100.486","0.005","1155.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0389","0.0381","","","0.1028","0.104","","","","","","1.058","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247594","10.8801","0.0012","12.8327","0.0014","13.3727","0.0014","90","","93.49","0.004","90","","1863.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.035","0.035","","","0.0874","0.0874","","","","","","1.039","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247595","6.6173","0.0006","13.6049","0.0011","20.3294","0.0017","90","","90","","90","","1830.2","0.3","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","0.25","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0403","0.0389","","","0.1129","0.1149","","","","","","1.101","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247596","7.1643","0.0012","9.8755","0.0016","17.073","0.003","84.131","0.005","85.474","0.005","72.254","0.005","1143","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0362","0.0342","","","0.0905","0.092","","","","","","1.055","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247597","9.7285","0.0009","9.8676","0.0009","16.7911","0.0015","90","","97.648","0.003","90","","1597.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Co N12 O14 -","- C18 H36 Cl2 Co N12 O14 -","- C36 H72 Cl4 Co2 N24 O28 -","2","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0891","0.0601","","","0.1629","0.1798","","","","","","1.061","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247598","7.4339","0.0007","8.4275","0.0008","9.0714","0.0008","87.583","0.003","78.69","0.002","77.157","0.002","543.34","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","1","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0838","0.078","","","0.211","0.2183","","","","","","1.092","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247599","11.3155","0.0001","17.9907","0.0002","20.6727","0.0002","90","","98.456","0.001","90","","4162.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 F6 Fe -","- C46 H40 F6 Fe -","- C184 H160 F24 Fe4 -","4","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0968","0.0983","","","","","","1.051","","","","has coordinates,has disorder","288786","2024-01-06","07:56:39",""
"7247600","18.4087","0.0001","8.0394","0.0007","23.69","0.002","90","","91.284","0.004","90","","3505.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O6 -","- C18 H19 N3 O6 -","- C144 H152 N24 O48 -","8","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","0.71073","MoKα","","0.0798","0.0569","","","0.0896","0.0918","","","","","","0.646","","","","has coordinates","288786","2024-01-06","07:56:40",""
"7247601","6.447","0.0015","10.416","0.003","11.367","0.003","82.665","0.01","87.026","0.01","72.301","0.009","721.2","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","1","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1117","0.0645","","","0.1514","0.177","","","","","","1.028","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247602","10.1433","0.0012","11.0854","0.0013","15.0978","0.0018","87.297","0.005","78.914","0.005","89.006","0.005","1664","0.3","301","","301","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C68 H104 N4 O4 -","2","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1377","0.0888","","","0.2633","0.3116","","","","","","1.033","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247603","18.8769","0.0008","6.1559","0.0002","26.9215","0.0011","90","","106.511","0.003","90","","2999.4","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N2 O2 -","- C32 H48 N2 O2 -","- C128 H192 N8 O8 -","4","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.0583","0.0512","","","0.1326","0.1405","","","","","","1.04","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247604","10.9128","0.0012","10.0522","0.0009","29.338","0.003","90","","90.55","0.004","90","","3218.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 O2 -","- C33 H50 N2 O2 -","- C132 H200 N8 O8 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1355","0.0868","","","0.2487","0.3022","","","","","","1.031","","","","has coordinates,has disorder","288784","2024-01-06","07:56:24",""
"7247616","22.3235","0.0011","11.7383","0.0005","7.558","0.0004","90","","92.989","0.002","90","","1977.8","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0541","0.0433","","","0.1181","0.1273","","","","","","1.064","","","","has coordinates","288084","2023-12-06","15:07:29",""
"7247617","7.799","0.002","18.295","0.004","8.984","0.002","90","","93.931","0.014","90","","1278.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag N3 O4 -","- C12 H12 Ag N3 O4 -","- C48 H48 Ag4 N12 O16 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0647","0.066","","","","","","1.098","","","","has coordinates","288084","2023-12-06","15:08:46",""
"7247618","7.7806","0.0015","18.88","0.005","9.48","0.003","90","","96.15","0.014","90","","1384.6","0.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag B F4 N2 O -","- C12 H12 Ag B F4 N2 O -","- C48 H48 Ag4 B4 F16 N8 O4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0402","0.0333","","","0.0926","0.0958","","","","","","1.06","","","","has coordinates","288084","2023-12-06","15:09:16",""
"7247619","12.102","0.004","6.6333","0.0011","17.915","0.004","90","","90","","90","","1438.1","0.6","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 Ag F6 N2 Sb -","- C12 H10 Ag F5.9998 N2 Sb -","- C48 H40 Ag4 F23.9992 N8 Sb4 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0502","0.0509","","","","","","1.123","","","","has coordinates,has disorder","288084","2023-12-06","15:09:34",""
"7247620","36.304","0.01","5.3887","0.0009","15.575","0.004","90","","110.695","0.016","90","","2850.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F3 N2 O2 -","- C14 H10 Ag F3 N2 O2 -","- C112 H80 Ag8 F24 N16 O16 -","8","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0292","0.0262","","","0.0661","0.0686","","","","","","1.056","","","","has coordinates,has disorder","288084","2023-12-06","15:09:46",""
"7247621","6.6106","0.0009","17.709","0.002","12.3217","0.0017","90","","94.626","0.004","90","","1437.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F3 N2 O3 S -","- C13 H10 Ag F3 N2 O3 S -","- C52 H40 Ag4 F12 N8 O12 S4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0349","0.0303","","","0.0729","0.0742","","","","","","1.106","","","","has coordinates,has disorder","288084","2023-12-06","15:10:01",""
"7247622","19.0792","0.0008","7.8359","0.0004","19.193","0.0009","90","","94.076","0.001","90","","2862.1","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7.5 N2 O1.75 -","- C7 H7.5 N2 O1.75 -","- C112 H120 N32 O28 -","16","4","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0821","0.0501","","","0.1005","0.1131","","","","","","1.042","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7247623","13.2616","0.0004","16.7698","0.0006","16.9393","0.0006","118.495","0.001","93.043","0.001","103.059","0.001","3167.76","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl6 N16 O9 Yb2 -","- C56 H50 Cl6 N16 O9 Yb2 -","- C112 H100 Cl12 N32 O18 Yb4 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0832","0.0446","","","0.0743","0.0852","","","","","","1.036","","","","has coordinates","288809","2024-01-06","08:06:10",""
"7247624","8.6982","0.0005","11.0452","0.0006","13.7542","0.0008","90","","106.867","0.002","90","","1264.57","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N4 O2 -","- C14 H10 Cu N4 O2 -","- C56 H40 Cu4 N16 O8 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0684","0.0403","","","0.0788","0.0892","","","","","","1.029","","","","has coordinates","288809","2024-01-06","08:06:20",""
"7247625","8.4097","0.0003","10.7232","0.0004","13.8568","0.0005","79.116","0.001","80.131","0.001","79.915","0.001","1195.72","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","1","0.5","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0454","0.0331","","","0.0603","0.0644","","","","","","1.078","","","","has coordinates,has disorder","288809","2024-01-06","08:06:23",""
"7247626","8.5699","0.0004","11.7452","0.0006","14.2218","0.0007","78.654","0.001","77.154","0.001","70.806","0.001","1306.15","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Eu N9 O12 -","- C21 H18 Eu N9 O12 -","- C42 H36 Eu2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0169","0.0159","","","0.0378","0.0381","","","","","","1.169","","","","has coordinates","288809","2024-01-06","08:06:23",""
"7247627","8.5744","0.0003","11.7399","0.0004","14.2153","0.0005","78.681","0.001","77.157","0.001","70.824","0.001","1305.88","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Gd N9 O12 -","- C21 H18 Gd N9 O12 -","- C42 H36 Gd2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0192","0.0174","","","0.0379","0.0384","","","","","","1.114","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247628","12.4309","0.0006","10.4129","0.0005","13.1342","0.0006","90","","104.761","0.002","90","","1644","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu2 N4 O4 -","- C16 H16 Cu2 N4 O4 -","- C64 H64 Cu8 N16 O16 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.1063","0.0632","","","0.0991","0.1104","","","","","","1.102","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247629","7.7383","0.0004","11.5787","0.0007","14.7269","0.0012","90","","90","","90","","1319.52","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br3 N Pb S -","- C8 H8 Br3 N Pb S -","- C32 H32 Br12 N4 Pb4 S4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0852","0.0491","","","0.1027","0.1111","","","","","","0.916","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247630","17.703","0.001","7.827","0.0003","20.1031","0.0011","90","","90","","90","","2785.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Br3 N Pb S -","- C9 H10 Br3 N Pb S -","- C72 H80 Br24 N8 Pb8 S8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1258","0.0667","","","0.1294","0.1604","","","","","","0.911","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247631","22.601","0.002","7.8074","0.0007","24.284","0.002","90","","90","","90","","4285","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br3 P Pb -","- C19 H18 Br3 P Pb -","- C152 H144 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1174","0.0708","","","0.1525","0.1775","","","","","","1.044","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247632","22.297","0.0012","7.948","0.0004","25.2706","0.0011","90","","90","","90","","4478.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 P Pb -","- C20 H20 Br3 P Pb -","- C160 H160 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1182","0.0499","","","0.0769","0.1022","","","","","","0.996","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247633","8.8791","0.0004","21.8322","0.0014","17.9977","0.001","90","","91.913","0.005","90","","3486.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br8 N2 Pb3 S2 -","- C20 H24 Br8 N2 Pb3 S2 -","- C80 H96 Br32 N8 Pb12 S8 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1354","0.0707","","","0.1343","0.1591","","","","","","0.88","","","","has coordinates,has disorder","288789","2024-01-06","07:57:05",""
"7247634","13.3422","0.0012","8.1688","0.0008","21.4738","0.0018","90","","95.977","0.008","90","","2327.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br3 P Pb -","- C21 H22 Br3 P Pb -","- C84 H88 Br12 P4 Pb4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0686","0.037","","","0.0581","0.0673","","","","","","0.977","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247635","15.6685","0.0007","3.7842","0.0001","10.8705","0.0005","90","","108.658","0.005","90","","610.67","0.05","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-di(pyridin-4-yl)thiazolo[5,4-d]thiazole","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0353","0.0345","","","0.0947","0.0952","","","","","","1.093","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247636","8.4275","0.0006","6.304","0.0004","11.748","0.0007","90","","93.544","0.006","90","","622.94","0.07","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0531","0.0418","","","0.1004","0.1072","","","","","","1.077","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247637","14.728","0.007","15.36","0.05","15.369","0.008","93.63","0.07","113.88","0.04","91.64","0.05","3167","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 N12 O8 S6 Zn2 -","- C70 H40 N12 O8 S6 Zn2 -","- C140 H80 N24 O16 S12 Zn4 -","2","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.098","0.0913","","","0.2451","0.2485","","","","","","1.166","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247638","17.1947","0.0002","18.5446","0.0002","15.7154","0.0002","90","","100.974","0.001","90","","4919.52","0.1","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N10 O10 S6 Zn2 -","- C46 H34 N10 O10 S6 Zn2 -","- C184 H136 N40 O40 S24 Zn8 -","4","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0819","0.073","","","0.1754","0.1796","","","","","","1.076","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247639","32.53","0.02","8.664","0.003","22.1","0.02","90","","96.56","0.02","90","","6188","7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N4 O5 S2 Zn -","- C28 H16 N4 O5 S2 Zn -","- C224 H128 N32 O40 S16 Zn8 -","8","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0367","0.0316","","","0.0838","0.0859","","","","","","1.058","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247640","4.6413","0.0003","16.1899","0.0014","8.557","0.004","90","","91.691","0.013","90","","642.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1064","0.0693","","","0.1807","0.2122","","","","","","1.06","","","","has coordinates","288810","2024-01-06","08:06:33",""
"7247641","4.654","0.0003","16.259","0.0018","8.577","0.004","90","","91.615","0.013","90","","648.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1012","0.0781","","","0.2013","0.2327","","","","","","1.082","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247642","4.863","0.0004","33.054","0.007","8.8694","0.0014","90","","91.519","0.009","90","","1425.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol-D","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C32 D48 F48 O16 -","16","4","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1288","0.0556","","","0.1608","0.2279","","","","","","1.027","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247643","7.712","0.0015","7.481","0.0015","11.062","0.002","90","","108.44","0.03","90","","605.4","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N3-protonated Cytidine nitrate","","- C9 H14 N4 O8 -","- C9 H14 N4 O8 -","- C18 H28 N8 O16 -","2","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.71073","MoKα","","0.0314","0.0311","","","0.0838","0.0843","","","","","","1.075","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247644","4.6969","0.0003","15.1122","0.0011","17.3305","0.0012","90","","90","","90","","1230.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cytidine and silver nitrate","","- C9 H13 Ag N4 O8 -","- C9 H13 Ag N4 O8 -","- C36 H52 Ag4 N16 O32 -","4","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.72929","synchrotron","","0.0372","0.0358","","","0.1124","0.1146","","","","","","1.162","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247645","10.0114","0.0003","16.1179","0.0005","11.3898","0.0004","90","","120.466","0.002","90","","1584.13","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co F6 N4 O6 -","- C24 H38 Co F6 N4 O6 -","- C48 H76 Co2 F12 N8 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0705","0.0384","","","0.0787","0.0856","","","","","","0.922","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247646","9.9328","0.0006","15.9853","0.0011","11.4746","0.0007","90","","120.609","0.003","90","","1568.06","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 N4 Ni O6 -","- C24 H38 F6 N4 Ni O6 -","- C48 H76 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0789","0.0428","","","0.0898","0.0975","","","","","","0.941","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247647","8.9504","0.0011","15.8017","0.0018","11.5358","0.0017","90","","118.8","0.004","90","","1429.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F6 N4 Ni O6 -","- C22 H34 F6 N4 Ni O6 -","- C44 H68 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","1.54178","CuKα","","0.033","0.032","","","0.0903","0.0915","","","","","","1.032","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247648","18.333","0.004","15.836","0.003","11.701","0.002","90","","120.036","0.008","90","","2940.9","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C92 H144 Co2 F24 N16 Ni2 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1951","0.0592","","","0.1539","0.1958","","","","","","0.837","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247649","18.514","0.004","15.792","0.003","11.787","0.002","90","","120.86","0.03","90","","2958.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co F6 N4 O6 -","- C23 H36 Co F6 N4 O6 -","- C92 H144 Co4 F24 N16 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1077","0.0427","","","0.1222","0.1678","","","","","","0.698","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247650","18.564","0.004","15.699","0.003","11.768","0.002","90","","120.67","0.03","90","","2949.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 Ni O6 -","- C23 H36 F6 N4 Ni O6 -","- C92 H144 F24 N16 Ni4 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1172","0.0441","","","0.1031","0.1341","","","","","","0.872","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247665","71.41","0.1","8.12","0.011","9.297","0.014","90","","91.38","0.04","90","","5389","13","160.15","","160.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) dodecanethiolate","","- C48 H100 S4 Sn -","- C48 H100 S4 Sn -","- C192 H400 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.2569","0.2477","","","0.5687","0.5722","","","","","","1.156","","","","has coordinates","287254","2023-11-04","13:21:02",""
"7247666","81.184","0.004","7.8878","0.0004","9.253","0.0005","90","","91.117","0.001","90","","5924.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) tetradecanethiolate","","- C56 H116 S4 Sn -","- C56 H116 S4 Sn -","- C224 H464 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.0639","0.062","","","0.1648","0.1673","","","","","","1.186","","","","has coordinates","287254","2023-11-04","13:21:13",""
"7247667","45.6447","0.0014","8.1335","0.0003","9.3171","0.0003","90","","92.133","0.003","90","","3456.6","0.2","100","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","Tin(IV) hexadecanethiolate","","- C64 H132 S4 Sn -","- C64 H132 S4 Sn -","- C128 H264 S8 Sn2 -","2","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","x-ray","0.71073","MoKα","","0.0846","0.0809","","","0.2176","0.2241","","","","","","1.112","","","","has coordinates","287254","2023-11-04","13:21:22",""
"7247668","19.689","0.005","3.6236","0.0009","11.631","0.003","90","","102.953","0.003","90","","808.7","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cl Cu2 N5 -","- C6 H4 Cl Cu2 N5 -","- C24 H16 Cl4 Cu8 N20 -","4","1","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.0305","0.024","","","0.0655","0.1018","","","","","","1.069","","","","has coordinates","287262","2023-11-04","23:58:13",""
"7247669","12.0666","0.0004","6.6817","0.0002","20.6749","0.0007","90","","107.439","0.002","90","","1590.3","0.09","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl Cu3 N10 O2 -","- C12 H10 Cl Cu3 N10 O2 -","- C48 H40 Cl4 Cu12 N40 O8 -","4","0.5","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.048","0.0428","","","0.1129","0.1286","","","","","","1.136","","","","has coordinates","287262","2023-11-04","23:58:28",""
"7247681","13.8174","0.0003","13.8174","0.0003","26.1691","0.0012","90","","90","","120","","4326.9","0.2","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 In N3 O9 -","- C33 H24 In N3 O9 -","- C198 H144 In6 N18 O54 -","6","0.333333","","Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng","Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex","CrystEngComm","2023","25","47","6627","6634","10.1039/D3CE00904A","","","0.71073","MoKα","","0.0369","0.0299","","","0.0598","0.0674","","","","","","1.124","","","","has coordinates","288792","2024-01-06","07:57:35",""
"7247682","10.949","0.0005","11.9806","0.0007","12.0973","0.0006","112.946","0.005","106.988","0.004","99.066","0.004","1329.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 Ni O11 -","- C22 H26.5 N8 Ni O10.75 -","- C44 H53 N16 Ni2 O21.5 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","1.54184","CuKα","","0.0379","0.0326","","","0.0824","0.0861","","","","","","1.046","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247683","11.1064","0.0009","12.1528","0.0011","12.3032","0.0012","113.663","0.009","106.663","0.008","98.98","0.007","1385.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 O11 Zn -","- C22 H26 N8 O10 Zn -","- C44 H52 N16 O20 Zn2 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","0.71073","MoKα","","0.1111","0.0638","","","0.1304","0.1583","","","","","","1.016","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247685","16.1956","0.0004","7.178","0.0002","7.2126","0.0002","90","","100.097","0.002","90","","825.49","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O4 -","- C8 H20 Cl4 Mn N2 O4 -","- C16 H40 Cl8 Mn2 N4 O8 -","2","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.022","0.0199","","","0.0502","0.0512","","","","","","1.129","","","","has coordinates","288795","2024-01-06","07:59:40",""
"7247686","21.3208","0.0014","7.0794","0.0004","11.144","0.0006","90","","107.916","0.002","90","","1600.49","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl4 Mn N2 O6 -","- C6 H20 Cl4 Mn N2 O6 -","- C24 H80 Cl16 Mn4 N8 O24 -","4","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0206","0.0182","","","0.0458","0.0467","","","","","","1.16","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247687","5.9046","0.0004","7.8188","0.0005","11.5638","0.0007","91.74","0.002","99.872","0.002","104.651","0.002","507.33","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","1","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0233","0.0192","","","0.0459","0.0476","","","","","","1.077","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247688","7.137","0.0001","7.2664","0.0001","19.6318","0.0004","85.695","0.002","87.366","0.002","88.66","0.002","1013.96","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Mn N2 O4 -","- C12 H28 Cl4 Mn N2 O4 -","- C24 H56 Cl8 Mn2 N4 O8 -","2","1","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0626","","","","","","1.11","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247700","10.5007","0.0001","19.5547","0.0002","8.6349","0.0001","90","","97.941","0.001","90","","1756.07","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(phenyl)-1,3,4-oxadiazole","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.0435","0.0405","","","0.1194","0.1225","","","","","","1.09","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247701","10.4066","0.0001","24.9033","0.0002","8.8792","0.0001","90","","97.936","0.001","90","","2279.08","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.048","0.0454","","","0.1342","0.1372","","","","","","1.053","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247702","10.4819","0.0007","10.9273","0.0007","12.5634","0.0007","104.646","0.002","108.134","0.002","97.016","0.002","1291.14","0.14","172.99","","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu","A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing","CrystEngComm","2023","25","47","6528","6532","10.1039/D3CE00902E","","","0.71073","MoKα","","0.0207","0.019","","","0.0466","0.0479","","","","","","1.139","","","","has coordinates,has disorder","288790","2024-01-06","07:57:11",""
"7247705","30.238","0.006","30.238","0.006","15.131","0.005","90","","90","","120","","11981","5","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H72 Hf6 O32 -","- C120 H72 Hf6 O32 -","- C360 H216 Hf18 O96 -","3","0.166667","","Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi","A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation","CrystEngComm","2023","25","46","6489","6495","10.1039/D3CE01022H","","","0.71073","MoKα","","0.0765","0.0504","","","0.1386","0.1593","","","","","","0.974","","","","has coordinates","288782","2024-01-06","07:56:08",""
"7247709","35.975","0.0019","6.3852","0.0004","17.1343","0.0009","90","","104.246","0.003","90","","3814.8","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Tioconazole Hydrobromide Salt","","","- C16 H14 Br Cl3 N2 O S -","- C16 H14 Br Cl3 N2 O S -","- C128 H112 Br8 Cl24 N16 O8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54178","CuKα","","0.0675","0.0478","","","0.1178","0.1306","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:43",""
"7247710","7.7627","0.0005","11.9414","0.0006","14.9934","0.0007","110.029","0.005","96.939","0.005","103.891","0.005","1235.79","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tiaconazole-2-Chloro-4-nitrobenzoic acid cocrystal","","","- C23 H16 Cl4 N3 O5 S -","- C23 H16 Cl4 N3 O5 S -","- C46 H32 Cl8 N6 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1344","0.0874","","","0.2182","0.2393","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247711","7.8551","0.0005","46.374","0.002","12.4658","0.0005","90","","90.468","0.004","90","","4540.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tioconazole-fumerate salt hemihydrate","","","- C20 H18 Cl3 N2 O5.5 S -","- C20 H18 Cl3 N2 O5.5 S -","- C160 H144 Cl24 N16 O44 S8 -","8","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.2218","0.1029","","","0.2385","0.3075","","","","","","1.034","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247712","7.5563","0.0002","8.3022","0.0002","20.6593","0.0005","83.732","0.002","82.528","0.002","89.714","0.002","1277.3","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tiaconazole-L-tartrate-L-tartaric acid (2:2:1)salt cocrystal","","","- C44 H44 Cl6 N4 O20 S2 -","- C44 H44 Cl6 N4 O20 S2 -","- C44 H44 Cl6 N4 O20 S2 -","1","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0568","0.0532","","","0.1376","0.1402","","","","","","1.043","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7247713","10.2522","0.0002","10.7638","0.0004","11.0528","0.0004","112.364","0.004","105.711","0.002","96.357","0.002","1054.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate-oxalic acid (1:0.5:0.5)salt cocrystal","","","- C18 H15 Cl3 N2 O5 S -","- C18 H15 Cl3 N2 O5 S -","- C36 H30 Cl6 N4 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.099","0.0918","","","0.2553","0.2641","","","","","","1.041","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247714","8.0219","0.0002","12.3226","0.0003","23.9838","0.0005","97.644","0.002","99.212","0.002","90.462","0.002","2318.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Nicotinic acid cocrystal","","","- C22 H18 Cl3 N3 O3 S -","- C22 H18 Cl3 N3 O3 S -","- C88 H72 Cl12 N12 O12 S4 -","4","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0813","0.073","","","0.1879","0.2019","","","","","","1.086","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247715","16.9432","0.001","6.7811","0.0003","34.455","0.002","90","","98.406","0.005","90","","3916.1","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H15 Cl3 N2 O5 S2 -","- C16 H15 Cl3 N2 O5 S2 -","- C128 H120 Cl24 N16 O40 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1484","0.1013","","","0.2524","0.3134","","","","","","1.038","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247716","7.488","0.0002","11.3843","0.0004","13.028","0.0004","83.111","0.003","83.102","0.003","75.116","0.003","1060.94","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-ter-pthalic acid (1:0.5) cocrystal","","","- C20 H16 Cl3 N2 O3 S -","- C20 H16 Cl3 N2 O3 S -","- C40 H32 Cl6 N4 O6 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0758","0.0679","","","0.1792","0.1925","","","","","","1.075","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247717","28.7499","0.0012","6.6873","0.0005","26.7737","0.001","90","","106.37","0.004","90","","4938.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tioconazole-p-tolunesulfonate salt","","","- C23 H14 Cl3 N2 O4 S2 -","- C23 H14 Cl3 N2 O4 S2 -","- C184 H112 Cl24 N16 O32 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1162","0.077","","","0.1836","0.2195","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247718","8.4631","0.0003","12.0147","0.0006","21.5955","0.0018","82.36","0.009","88.44","0.006","88.592","0.003","2175.1","0.2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl6 N4 O11 S3 -","- C32 H32 Cl6 N4 O11 S3 -","- C64 H64 Cl12 N8 O22 S6 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1016","0.086","","","0.2464","0.2716","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247719","7.6028","0.0001","9.9444","0.0001","35.6016","0.0004","90","","90","","90","","2691.67","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tioconazole-L-tartrate 1:1 salt hydrate","","","- C20 H25 Cl3 N2 O10.42 S -","- C20 H25 Cl3 N2 O10.42 S -","- C80 H100 Cl12 N8 O41.68 S4 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0641","0.0618","","","0.1301","0.1312","","","","","","1.146","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247720","10.5568","0.0003","10.9083","0.0003","20.8988","0.0004","86.078","0.002","77.368","0.002","66.24","0.003","2148.81","0.11","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tioconzaole sulfate (2:1) salt heptahydrate","","","- C32 H42 Cl6 N4 O13 S3 -","- C32 H42 Cl6 N4 O13 S3 -","- C64 H84 Cl12 N8 O26 S6 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0773","0.0677","","","0.1937","0.206","","","","","","1.069","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247721","7.6541","0.0001","15.9993","0.0004","17.8133","0.0005","73.851","0.002","78.295","0.002","85.648","0.002","2051.33","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate (2:1)salt tetrahydrate","","","- C34 H36 Cl6 N4 O10 S2 -","- C34 H36 Cl6 N4 O10 S2 -","- C68 H72 Cl12 N8 O20 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0555","0.0492","","","0.1362","0.1414","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247722","7.4874","0.0002","8.0833","0.0003","19.8791","0.0005","94.572","0.002","98.318","0.002","94.709","0.003","1181.34","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Fumerate salt monohydrate","","","- C20 H17 Cl3 N2 O6 S -","- C20 H17 Cl3 N2 O6 S -","- C40 H34 Cl6 N4 O12 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0836","0.0726","","","0.1881","0.2029","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247723","17.2992","0.0013","6.8054","0.0005","34.882","0.003","90","","99.792","0.008","90","","4046.8","0.6","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl3 N2 O5 P S -","- C16 H14 Cl3 N2 O5 P S -","- C128 H112 Cl24 N16 O40 P8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1453","0.0748","","","0.2161","0.2693","","","","","","1.096","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247724","10.729","0.0003","12.8274","0.0003","16.0617","0.0005","78.507","0.002","83.668","0.002","85.091","0.002","2148.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Terepthalic acid cocrystal","","","- C40 H30 Cl6 N4 O6 S2 -","- C40 H30 Cl6 N4 O6 S2 -","- C80 H60 Cl12 N8 O12 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1246","0.0958","","","0.2802","0.333","","","","","","1.187","","","","has coordinates,has disorder","288801","2024-01-06","08:01:57",""
"7247730","12.994","0.003","18.489","0.004","20.221","0.004","90","","90","","90","","4858","1.8","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Co2 N4 O16 -","- C48 H48 Co2 N4 O16 -","- C192 H192 Co8 N16 O64 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1222","0.0675","","","0.1084","0.1274","","","","","","1.008","","","","has coordinates","288802","2024-01-06","08:02:39",""
"7247731","10.3085","0.0007","16.7006","0.0011","18.9218","0.0013","90","","90","","90","","3257.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H26 Co N4 O6 -","- C34 H26 Co N4 O6 -","- C136 H104 Co4 N16 O24 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0979","0.0768","","","0.1527","0.1631","","","","","","1.176","","","","has coordinates","288802","2024-01-06","08:02:42",""
"7247732","26.789","0.003","26.789","0.003","25.456","0.003","90","","90","","120","","15821","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 N3 Ni O7 -","- C28 H23 N3 Ni O7 -","- C504 H414 N54 Ni18 O126 -","18","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1508","0.0821","","","0.2118","0.2476","","","","","","1.042","","","","has coordinates","288802","2024-01-06","08:02:52",""
"7247733","10.4988","0.0003","16.7826","0.0004","18.4931","0.0005","90","","90","","90","","3258.43","0.15","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70 H55 N9 Ni2 O12 -","- C70 H55 N9 Ni2 O12 -","- C140 H110 N18 Ni4 O24 -","2","0.25","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0728","0.0568","","","0.151","0.1651","","","","","","1.07","","","","has coordinates,has disorder","288802","2024-01-06","08:03:03",""
"7247734","7.74397","0.00015","5.37413","0.0001","18.739","0.0003","90","","99.3886","0.0018","90","","769.42","0.02","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O2 -","- C8 H4 N4 O2 -","- C32 H16 N16 O8 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0398","0.0382","","","0.1031","0.1047","","","","","","1.041","","","","has coordinates","288796","2024-01-06","07:59:52",""
"7247735","14.2846","0.0002","9.9978","0.0001","6.3863","0.0001","90","","90","","90","","912.06","0.02","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C32 H12 N20 O16 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0623","0.0625","","","","","","1.075","","","","has coordinates","288796","2024-01-06","08:00:03",""
"7247736","8.6598","0.0002","12.7026","0.0003","15.575","0.0004","90","","90","","90","","1713.28","0.07","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C64 H24 N40 O32 -","8","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1219","0.1247","","","","","","1.059","","","","has coordinates","288796","2024-01-06","08:00:05",""
"7247737","14.40027","0.00012","10.46252","0.00009","6.13809","0.00005","90","","90","","90","","924.784","0.013","99.98","0.15","99.98","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.031","0.0308","","","0.083","0.0831","","","","","","1.077","","","","has coordinates","288796","2024-01-06","08:00:17",""
"7247738","8.0979","0.0001","15.91","0.0001","18.7119","0.0001","90","","95.287","0.001","90","","2400.54","0.04","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O3 -","- C8 H4 N4 O3 -","- C96 H48 N48 O36 -","12","3","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0371","0.0357","","","0.0971","0.0983","","","","","","1.034","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247739","12.53304","0.00019","8.30693","0.00013","9.61288","0.00013","90","","90","","90","","1000.81","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H2 N6 O6 -","- C8 H2 N6 O6 -","- C32 H8 N24 O24 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0879","0.0882","","","","","","1.058","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247740","22.7584","0.0008","9.418","0.0002","18.1546","0.0006","90","","112.265","0.004","90","","3601.1","0.2","150","2","149.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cu O3 P2 S -","- C42 H35 Cu O3 P2 S -","- C168 H140 Cu4 O12 P8 S4 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","x-ray","0.71073","MoKα","","0.0599","0.0395","","","0.072","0.0788","","","","","","1.037","","","","has coordinates","288803","2024-01-06","08:03:11",""
"7247741","9.658","0.00014","10.04345","0.00011","18.763","0.0003","76.6204","0.0011","85.3079","0.0011","81.3483","0.001","1748.37","0.04","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C74.5 H67.46 Cl0.54 Ni2 O11.28 P4 S3.7 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","","1.54184","CuKα","","0.0405","0.0367","","","0.0928","0.095","","","","","","1.082","","","","has coordinates,has disorder","288803","2024-01-06","08:03:11",""
"7247745","7.0295","0.0004","27.8164","0.0016","12.8722","0.0007","90","","99.071","0.005","90","","2485.5","0.2","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","","Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar","Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water","CrystEngComm","2023","25","48","6837","6844","10.1039/D3CE00996C","","","0.71073","MoKα","","0.0801","0.0576","","","0.1378","0.1577","","","","","","1.032","","","","has coordinates","288797","2024-01-06","08:00:32",""
"7247746","10.5827","0.0006","11.1323","0.0007","12.6983","0.0008","104.061","0.003","113.978","0.003","90.275","0.003","1316.85","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0874","0.0512","","","0.1236","0.1513","","","","","","0.82","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247747","7.8214","0.0005","9.9952","0.0006","10.4841","0.0007","94.868","0.002","105.897","0.002","94.543","0.002","780.92","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0651","0.0478","","","0.1282","0.1463","","","","","","1.139","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247748","10.063","0.012","12.143","0.015","15.195","0.017","68.52","0.04","73.73","0.04","71.1","0.06","1607","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Mn2 N6 O8 -","- C30 H28 Mn2 N6 O8 -","- C60 H56 Mn4 N12 O16 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1026","0.0684","","","0.1855","0.2105","","","","","","1.068","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247749","9.888","0.004","20.717","0.009","21.011","0.009","71.075","0.007","77.324","0.008","80.532","0.007","3952","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H60 Mn5 N12 O21 S5 -","- C69 H60 Mn5 N12 O21 S5 -","- C138 H120 Mn10 N24 O42 S10 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1419","0.095","","","0.2551","0.2944","","","","","","1.028","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247750","7.959","0.0006","10.7872","0.0008","29.582","0.002","90","","93.461","0.004","90","","2535.1","0.3","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 Mn N4 O4 -","- C30 H18 Mn N4 O4 -","- C120 H72 Mn4 N16 O16 -","4","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.34139","GaKα","","0.05","0.036","","","0.0876","0.0943","","","","","","1.032","","","","has coordinates,has disorder","288798","2024-01-06","08:00:41",""
"7247751","9.584","0.0002","10.552","0.0003","11.7635","0.0003","93.832","0.001","111.246","0.001","108.96","0.001","1025.39","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Mn N4 O5 -","- C24 H17 Mn N4 O5 -","- C48 H34 Mn2 N8 O10 -","2","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.54178","CuKα","","0.0327","0.0299","","","0.0763","0.0786","","","","","","1.049","","","","has coordinates,has disorder","288798","2024-01-06","08:00:47",""
"7247754","9.7958","0.0004","7.7989","0.0003","14.7319","0.0006","90","","90","","90","","1125.47","0.08","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1069","","","","","","1.028","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247755","4.0899","0.0018","8.238","0.005","20.69","0.011","96.88","0.02","90.38","0.04","95.16","0.03","689.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 K2 N11 O6 -","- C4 H6 K2 N11 O6 -","- C8 H12 K4 N22 O12 -","2","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","1.34139","GaKα","","0.0293","0.0281","","","0.0802","0.0811","","","","","","1.075","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247756","9.0488","0.0014","13.078","0.002","6.7239","0.0012","90","","101.968","0.005","90","","778.4","0.2","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 -","- C4 H8 N10 -","- C16 H32 N40 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.0832","0.0678","","","0.1607","0.1707","","","","","","1.093","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247757","3.8946","0.0011","14.07","0.004","23.813","0.007","90","","92.162","0.009","90","","1304","0.6","180","2","179.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N12 O7 -","- C4 H11 N12 O7 -","- C16 H44 N48 O28 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.1721","0.1056","","","0.2375","0.2709","","","","","","1.091","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247762","17.1155","0.0007","17.1155","0.0007","17.1155","0.0007","90","","90","","90","","5013.8","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8.34 H11 Co N9.17 O0.17 -","- C8 H10 Co N9.16667 -","- C96 H120 Co12 N110 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0696","0.066","","","0.1848","0.1875","","","","","","1.189","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247763","16.9979","0.0006","16.9979","0.0006","16.9979","0.0006","90","","90","","90","","4911.2","0.3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.44 -","- C8 H10 Co N10.4445 -","- C96 H120 Co12 N125.334 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0847","0.0801","","","0.2325","0.2398","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247764","17.0426","0.0004","17.0426","0.0004","17.0426","0.0004","90","","90","","90","","4950","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10 H16 Co N4 O -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0619","0.043","","","0.0932","0.0984","","","","","","1.014","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247765","16.8057","0.0004","16.8057","0.0004","16.8057","0.0004","90","","90","","90","","4746.5","0.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.73 -","- C8 H10 Co N13.7334 -","- C96 H120 Co12 N164.801 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0781","0.0721","","","0.1893","0.1947","","","","","","1.105","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247766","16.9247","0.0006","16.9247","0.0006","16.9247","0.0006","90","","90","","90","","4848","0.3","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13 -","- C8 H10 Co N13.0001 -","- C96 H120 Co12 N156.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0867","0.0816","","","0.2091","0.2136","","","","","","1.113","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247767","16.6284","0.0004","16.6284","0.0004","16.6284","0.0004","90","","90","","90","","4597.81","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.1064","0.0871","","","0.2123","0.2224","","","","","","1.178","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247768","17.074","0.0004","17.074","0.0004","17.074","0.0004","90","","90","","90","","4977.4","0.2","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.08 -","- C8 H10 Co N10.0835 -","- C96 H120 Co12 N121.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0707","0.0675","","","0.2079","0.2103","","","","","","1.249","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247769","17.2086","0.0004","17.2086","0.0004","17.2086","0.0004","90","","90","","90","","5096.1","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10.92 H21.67 Co N4 O2.92 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0191","0.0185","","","0.0514","0.0516","","","","","","1.106","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247770","17.223","0.0004","17.223","0.0004","17.223","0.0004","90","","90","","90","","5108.9","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.75 H25 Co N4 O3.75 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0453","0.0415","","","0.1183","0.1245","","","","","","1.168","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247771","16.7265","0.0004","16.7265","0.0004","16.7265","0.0004","90","","90","","90","","4679.67","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.83 -","- C8 H10 Co N13.8335 -","- C96 H120 Co12 N166.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0788","0.0744","","","0.1887","0.1935","","","","","","1.162","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247772","16.4992","0.0004","16.4992","0.0004","16.4992","0.0004","90","","90","","90","","4491.47","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0959","0.0849","","","0.2206","0.232","","","","","","1.135","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247773","17.164","0.0003","17.164","0.0003","17.164","0.0003","90","","90","","90","","5056.56","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C11.83 H25.33 Co N4 O3.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0897","0.0845","","","0.2227","0.239","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247774","17.1155","0.0002","17.1155","0.0002","17.1155","0.0002","90","","90","","90","","5013.82","0.1","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11 H19 Co N4 O1.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0317","0.0301","","","0.0809","0.0816","","","","","","1.136","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247775","16.9823","0.0004","16.9823","0.0004","16.9823","0.0004","90","","90","","90","","4897.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C12.5 H28 Co N4 O4.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0366","0.0363","","","0.1001","0.1003","","","","","","1.137","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247776","17.1651","0.0003","17.1651","0.0003","17.1651","0.0003","90","","90","","90","","5057.54","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.42 H31.67 Co N4 O5.42 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0679","0.0634","","","0.1727","0.1801","","","","","","1.141","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247777","16.8677","0.0005","16.8677","0.0005","16.8677","0.0005","90","","90","","90","","4799.2","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C12.83 H29.33 Co N4 O4.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.028","0.0278","","","0.0782","0.0783","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247778","16.923","0.0005","16.923","0.0005","16.923","0.0005","90","","90","","90","","4846.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.67 H21 Co N4 O1.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","1.54184","CuKα","","0.069","0.0584","","","0.1773","0.1899","","","","","","1.098","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247779","16.5684","0.0003","16.5684","0.0003","16.5684","0.0003","90","","90","","90","","4548.22","0.14","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0844","0.0796","","","0.2069","0.2121","","","","","","1.151","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247782","11.276","0.004","6.42","0.004","29.326","0.009","90","","96.45","0.03","90","","2109.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0352","0.0323","","","0.0813","0.0837","","","","","","1.029","","","","has coordinates","288799","2024-01-06","08:01:03",""
"7247783","16.953","0.006","6.359","0.003","20.573","0.006","90","","108.29","0.03","90","","2105.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0501","0.0443","","","0.1178","0.1222","","","","","","1.018","","","","has coordinates,has disorder","288799","2024-01-06","08:01:10",""
"7247790","8.6333","0.0007","10.6401","0.0007","24.273","0.002","90","","90","","90","","2229.7","0.3","113","2","113.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.069","0.0518","","","0.1125","0.126","","","","","","1.063","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247791","12.5547","0.0008","11.7675","0.0006","7.7848","0.0006","90","","103.444","0.007","90","","1118.59","0.13","113","2","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.0607","0.0474","","","0.1138","0.1232","","","","","","1.044","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247796","9.366","0.0007","10.5136","0.0008","15.0815","0.0012","107.389","0.003","91.634","0.003","107.736","0.003","1338.12","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","1","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.1134","0.0662","","","0.2087","0.2401","","","","","","1.06","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247797","18.995","0.004","11.667","0.003","16.273","0.003","90","","113.608","0.007","90","","3304.5","1.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 N3 O15 Zn2 -","- C32 H27 N3 O15 Zn2 -","- C128 H108 N12 O60 Zn8 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0868","0.0567","","","0.1479","0.1633","","","","","","0.988","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247798","19.1756","0.0019","11.7383","0.0012","15.5273","0.0014","90","","111.057","0.003","90","","3261.6","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Co2 N3 O15 -","- C32 H27 Co2 N3 O15 -","- C128 H108 Co8 N12 O60 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0887","0.0545","","","0.1353","0.1508","","","","","","1.05","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247799","19.5933","0.001","22.7256","0.0012","52.888","0.003","90","","90","","90","","23549","2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C52 H59 N7 Ni2 O23 -","- C52 H37 N7 Ni2 O12 -","- C832 H592 N112 Ni32 O192 -","16","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0492","0.0384","","","0.0843","0.0897","","","","","","1.078","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247803","7.564","0.0002","21.9862","0.0006","17.8275","0.0004","90","","90","","90","","2964.78","0.13","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H15 Bi Cl5 N2 -","- C32 H120 Bi8 Cl40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0416","0.03","","","0.0719","0.0751","","","","","","1.02","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247804","7.6954","0.0002","22.2151","0.0008","17.9473","0.0005","90","","90","","90","","3068.16","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br2.27 Cl2.73 N2 -","- C4 H15 Bi Br2.259 Cl2.741 N2 -","- C32 H120 Bi8 Br18.072 Cl21.928 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0796","0.0438","","","0.0848","0.0924","","","","","","1.032","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247805","7.767","0.0003","22.3242","0.0008","18.0376","0.0006","90","","90","","90","","3127.58","0.19","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br3.13 Cl1.87 N2 -","- C4 H15 Bi Br3.125 Cl1.875 N2 -","- C32 H120 Bi8 Br25 Cl15 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","","0.71073","MoKα","","0.0506","0.0339","","","0.0622","0.066","","","","","","1.026","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247806","7.894","0.0002","22.4137","0.0007","18.2284","0.0006","90","","90","","90","","3225.22","0.17","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br5 N2 -","- C4 H15 Bi Br5 N2 -","- C32 H120 Bi8 Br40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.098","0.0521","","","0.0843","0.0933","","","","","","1.016","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247807","7.6366","0.0002","22.1176","0.0008","17.8909","0.0005","90","","90","","90","","3021.83","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br1.18 Cl3.82 N2 -","- C4 H15 Bi Br1.187 Cl3.813 N2 -","- C32 H120 Bi8 Br9.496 Cl30.504 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0627","0.0351","","","0.0668","0.0719","","","","","","0.975","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247808","18.2458","0.0005","22.4324","0.0007","7.8919","0.0002","90","","90","","90","","3230.13","0.16","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br5 N2 -","- C4 H16 Bi Br5 N2 -","- C32 H128 Bi8 Br40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0582","0.0381","","","0.0913","0.0993","","","","","","1.057","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247809","17.5689","0.0007","21.6639","0.0009","7.487","0.0003","90","","90","","90","","2849.6","0.2","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0342","0.0272","","","0.0598","0.0621","","","","","","1.021","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247810","17.7119","0.0005","22.0532","0.0007","7.5527","0.0002","90","","90","","90","","2950.12","0.15","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br2.12 Cl2.88 N2 -","- C4 H16 Bi Br2.13 Cl2.87 N2 -","- C32 H128 Bi8 Br17.04 Cl22.96 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0769","0.0714","","","0.1279","0.1332","","","","","","1.165","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247811","17.6291","0.0003","21.9787","0.0004","7.512","0.0001","90","","90","","90","","2910.63","0.08","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br1.15 Cl3.85 N2 -","- C4 H16 Bi Br1.149 Cl3.851 N2 -","- C32 H128 Bi8 Br9.192 Cl30.808 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0418","0.0358","","","0.0796","0.082","","","","","","1.077","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247812","17.5665","0.0004","7.4508","0.0002","22.164","0.0005","90","","90","","90","","2900.92","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0816","0.0708","","","0.1064","0.1091","","","","","","1.07","","","","has coordinates","289452","2024-02-04","11:40:26",""
"7247813","14.7317","0.0013","15.1925","0.0014","20.7026","0.0019","97.426","0.002","105.699","0.002","93.95","0.002","4397","0.7","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C70 H118 Mn7 Mo24 N20 O142 P16 -","2","1","","Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli","A new {P4Mo6}-based complex as a highly efficient heterogeneous catalyst for the oxidation of alkylbenzenes under mild conditions","CrystEngComm","2024","26","3","364","369","10.1039/D3CE01031G","","x-ray","0.71073","MoKα","K-L~3~","0.0452","0.0396","","","0.0946","0.0979","","","","","","1.069","","","","has coordinates,has disorder","289454","2024-02-04","11:40:41",""
"7247814","10.3061","0.0001","8.9312","0.0001","16.601","0.0003","90","","95.428","0.001","90","","1521.2","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C31 H26 Cd2 N4 O11 -","- C31 H26 Cd2 N4 O11 -","- C62 H52 Cd4 N8 O22 -","2","0.5","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0248","0.0234","","","0.0606","0.0613","","","","","","1.0483","","","","has coordinates,has disorder","288015","2023-12-04","18:10:45",""
"7247815","11.0328","0.0001","17.1307","0.0002","19.2872","0.0002","90","","93.281","0.001","90","","3639.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H18 Cd N2 O8 -","- C15.5 H18 Cd N2 O8 -","- C124 H144 Cd8 N16 O64 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0246","0.0234","","","0.0629","0.0637","","","","","","1.0708","","","","has coordinates,has disorder","288015","2023-12-04","18:10:46",""
"7247816","27.3243","0.0002","10.2895","0.0001","17.8117","0.0002","90","","105.53","0.001","90","","4824.99","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cd N4 O8.5 -","- C23 H23 Cd N4 O8.5 -","- C184 H184 Cd8 N32 O68 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0579","0.0576","","","0.1448","0.1449","","","","","","0.9176","","","","has coordinates,has disorder","288015","2023-12-04","18:10:47",""
"7247817","10.0583","0.0002","10.1823","0.0002","20.6673","0.0003","97.263","0.002","94.133","0.001","119.439","0.002","1806.38","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd2 N4 O15 -","- C33 H38 Cd2 N4 O15 -","- C66 H76 Cd4 N8 O30 -","2","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0349","0.033","","","0.0898","0.0924","","","","","","1.045","","","","has coordinates","288015","2023-12-04","18:10:47",""
"7247818","12.2633","0.0015","6.5624","0.0008","11.4726","0.0014","90","","111.627","0.003","90","","858.28","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1545","0.0748","","","0.1681","0.2056","","","","","","1.012","","","","has coordinates","288016","2023-12-04","18:14:59",""
"7247819","11.429","0.004","6.597","0.002","11.395","0.004","90","","95.75","0.009","90","","854.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylic acid","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1119","0.0524","","","0.1074","0.1245","","","","","","1.037","","","","has coordinates","288016","2023-12-04","18:15:03",""
"7247820","26.692","0.007","15.981","0.004","19.803","0.005","90","","96.761","0.003","90","","8389","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 Ho2 N7 O37 -","- C74 H101 Co2 Ho2 N7 O37 -","- C296 H404 Co8 Ho8 N28 O148 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.7107","MoKα","","0.0517","0.0456","","","0.0897","0.093","","","","","","1.106","","","","has coordinates,has disorder","288017","2023-12-04","18:16:25",""
"7247821","26.7585","0.0007","16.0409","0.0005","19.8206","0.0006","90","","96.4","0.003","90","","8454.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 N7 O37 Yb2 -","- C74 H101 Co2 N7 O37 Yb2 -","- C296 H404 Co8 N28 O148 Yb8 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.71073","MoKα","","0.0561","0.0413","","","0.084","0.0946","","","","","","1.045","","","","has coordinates,has disorder","288017","2023-12-04","18:16:26",""
"7247822","7.9718","0.0005","14.0812","0.0009","11.5373","0.0008","90","","95.204","0.002","90","","1289.75","0.15","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N4 O13 P -","- C19 H29 Co N4 O13 P -","- C38 H58 Co2 N8 O26 P2 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0436","0.0333","","","0.063","0.0664","","","","","","0.977","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247823","6.7824","0.0006","13.8721","0.0012","15.7504","0.0014","68.453","0.003","89.86","0.003","80.963","0.003","1358.8","0.2","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.1054","0.0644","","","0.155","0.178","","","","","","1.018","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247824","6.9314","0.001","13.624","0.002","15.739","0.002","115.138","0.004","93.184","0.004","96.631","0.005","1327.4","0.3","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","x-ray","0.71073","MoKα","","0.1442","0.0821","","","0.1723","0.2002","","","","","","1.019","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247825","11.7","0.002","31.93","0.006","11.774","0.002","90","","106.376","0.007","90","","4220.1","1.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H82 Co2 N20 O30 P2 -","- C58 H82 Co2 N20 O30 P2 -","- C116 H164 Co4 N40 O60 P4 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0635","0.0534","","","0.1351","0.1402","","","","","","1.021","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247826","10.7744","0.0004","25.5061","0.0011","31.6431","0.0012","90","","90","","90","","8695.9","0.6","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C27 H35 Cd N8 O14 P -","- C27 H35 Cd N8 O14 P -","- C216 H280 Cd8 N64 O112 P8 -","8","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0601","0.0407","","","0.0922","0.0994","","","","","","1.032","","","","has coordinates,has disorder","289457","2024-02-04","11:41:59",""
"7247833","5.1004","0.0007","20.907","0.003","21.437","0.003","90","","94.484","0.004","90","","2278.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cu N4 O9 -","- C27 H18 Cu N4 O9 -","- C108 H72 Cu4 N16 O36 -","4","1","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.157","0.0763","","","0.2069","0.2602","","","","","","1.02","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247834","13.3687","0.0006","19.6383","0.0009","12.8093","0.0005","90","","90","","90","","3362.9","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H24 Cu2 N6 O17 -","- C34 H24 Cu2 N6 O17 -","- C136 H96 Cu8 N24 O68 -","4","0.5","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.0799","0.0402","","","0.0922","0.1094","","","","","","1","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247836","19.0668","0.001","8.1886","0.0004","8.0487","0.0004","90","","91.561","0.003","90","","1256.18","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0701","0.0465","","","0.1097","0.1225","","","","","","1.044","","","","has coordinates","289458","2024-02-04","11:42:22",""
"7247837","47.13","0.004","5.0755","0.0004","23.567","0.002","90","","111.352","0.002","90","","5250.5","0.8","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C200 H272 N48 O48 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1011","0.0829","","","0.1916","0.1988","","","","","","1.183","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247838","19.888","0.004","8.2744","0.0015","8.3942","0.0015","90","","96.316","0.006","90","","1373","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C52 H72 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1118","0.0664","","","0.1659","0.1913","","","","","","1.032","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247839","7.9554","0.0004","13.7715","0.0008","14.6005","0.0008","72.874","0.003","75.014","0.003","84.453","0.003","1476.32","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0783","0.0528","","","0.1317","0.149","","","","","","1.027","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247840","22.0145","0.0019","16.7461","0.0015","7.9045","0.0006","90","","100.476","0.003","90","","2865.5","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H19 N3 O3 -","- C13.5 H19 N3 O3 -","- C108 H152 N24 O24 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.107","0.0506","","","0.1077","0.1354","","","","","","1.031","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247841","12.4347","0.0005","7.204","0.0003","33.7027","0.0013","90","","90","","90","","3019.1","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Han, Chuchu; Yang, Jing; Zhang, Xin; Li, Aisen; Peng, Jiang","Dual control of passive light output direction by light and mechanical forces in elastic crystals","CrystEngComm","2024","26","2","203","208","10.1039/D3CE01021J","","x-ray","1.54178","CuKα","","0.069","0.0539","","","0.1338","0.149","","","","","","1.036","","","","has coordinates","289449","2024-02-04","11:39:21",""
"7247844","16.832","0.0014","14.5894","0.0016","23.725","0.003","90","","90","","90","","5826.1","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H22 Co2 N4 O9 S6 -","- C32 H22 Co2 N4 O9 S6 -","- C128 H88 Co8 N16 O36 S24 -","4","0.5","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1094","0.0962","","","0.2823","0.2921","","","","","","1.134","","","","has coordinates","289456","2024-02-04","11:41:27",""
"7247845","15.156","0.003","18.378","0.002","15.9626","0.0018","90","","91.834","0.012","90","","4443.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Co2 N8 O8 S4 -","- C36 H20 Co2 N8 O8 S4 -","- C144 H80 Co8 N32 O32 S16 -","4","1","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1704","0.1141","","","0.2754","0.3041","","","","","","1.02","","","","has coordinates","289456","2024-02-04","11:41:37",""
"7247846","8.8956","0.0005","14.3091","0.0008","10.4218","0.0006","90","","92.766","0.002","90","","1325.02","0.13","298.27","","298.27","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 Co2 N4 O2 -","- C14 H26 Cl8 Co2 N4 O2 -","- C28 H52 Cl16 Co4 N8 O4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.032","0.0267","","","0.0626","0.0658","","","","","","1.059","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247847","8.9266","0.0008","14.2573","0.0012","10.4071","0.0009","90","","92.659","0.002","90","","1323.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H25.98 Cl8 N4 O2 Zn2 -","- C28 H51.96 Cl16 N8 O4 Zn4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0524","0.0489","","","0.1358","0.1396","","","","","","1.056","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247848","9.1035","0.0008","5.0596","0.0004","23.3576","0.0019","90","","93.543","0.003","90","","1073.8","0.15","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cl6 Cu N4 -","- C14 H22 Cl6 Cu N4 -","- C28 H44 Cl12 Cu2 N8 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0478","0.0394","","","0.0985","0.1034","","","","","","1.119","","","","has coordinates,has disorder","289453","2024-02-04","11:40:35",""
"7247849","6.3666","0.0003","9.1403","0.0005","11.6139","0.0006","74.548","0.002","88.019","0.002","80.64","0.002","642.71","0.06","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","1","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0272","0.0256","","","0.0641","0.0651","","","","","","1.097","","","","has coordinates","289453","2024-02-04","11:40:35",""
"7247865","15.207","0.002","5.1052","0.0007","26.456","0.004","90","","99.547","0.005","90","","2025.5","0.5","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C88 H96 Cl4 N4 O16 -","4","2","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0429","0.0389","","","0.1027","0.1061","","","","","","1.043","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247866","5.1261","0.0009","8.728","0.0014","29.053","0.005","90","","90","","90","","1299.8","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 I N O4 -","- C9 H16 I N O4 -","- C36 H64 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0435","0.0411","","","0.1063","0.1086","","","","","","1.044","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247867","5.4467","0.0008","11.4173","0.0018","25.107","0.004","90","","90","","90","","1561.3","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 I N O4 -","- C12 H22 I N O4 -","- C48 H88 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0206","0.0194","","","0.0393","0.0396","","","","","","1.132","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247868","5.9666","0.0005","9.8723","0.0009","12.6022","0.0011","90","","93.118","0.003","90","","741.22","0.11","101","2","101","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H22 Cl N O4 -","- C12 H22 Cl N O4 -","- C24 H44 Cl2 N2 O8 -","2","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0234","0.0231","","","0.0615","0.0617","","","","","","1.046","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7247869","16.6588","0.0011","16.6588","0.0011","5.174","0.0005","90","","90","","120","","1243.5","0.17","110","","110","","","","","","","","","5","P 31","P 31","144","","","","- C15 H20 I N O4 -","- C15 H20 I N O4 -","- C45 H60 I3 N3 O12 -","3","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0295","0.0273","","","0.0641","0.0656","","","","","","1.036","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247870","9.224","0.0006","5.0773","0.0003","13.2741","0.0009","90","","107.467","0.002","90","","593","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O4 -","- C9 H16 Cl N O4 -","- C18 H32 Cl2 N2 O8 -","2","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0219","0.0212","","","0.0527","0.0531","","","","","","1.075","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247871","5.1069","0.0015","11.791","0.003","26.327","0.008","90","","90","","90","","1585.3","0.8","105","2","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.1294","0.0802","","","0.1981","0.2465","","","","","","1.061","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247877","9.9297","0.0001","10.5228","0.0001","21.8433","0.0003","94.3066","0.0007","95.3186","0.0006","107.106","0.0006","2159.41","0.04","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cd2 N6 O15 -","- C43 H40 Cd2 N6 O15 -","- C86 H80 Cd4 N12 O30 -","2","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.0539","0.0346","","","0.0626","0.0687","","","","","","1.014","","","","has coordinates","289445","2024-02-04","11:38:41",""
"7247878","20.134","0.004","20.134","0.004","38.292","0.008","90","0.03","90","0.03","120","0.03","13443","6","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 Cd3 N12 O39 -","- C72 H90 Cd3 N12 O39 -","- C432 H540 Cd18 N72 O234 -","6","0.333333","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.1134","0.0582","","","0.1069","0.1292","","","","","","1.032","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247879","10.6729","0.0002","27.5687","0.0004","13.9401","0.0002","90","","108.001","0.0009","90","","3900.94","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Cd N6 O9 -","- C41 H36 Cd N6 O9 -","- C164 H144 Cd4 N24 O36 -","4","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.112","0.0498","","","0.0966","0.1148","","","","","","1.006","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247886","10.7851","0.0004","5.4371","0.0002","22.4992","0.001","90","","91.358","0.004","90","","1318.98","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N12 O14 -","- C18 H14 Cd N12 O14 -","- C36 H28 Cd2 N24 O28 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","x-ray","0.71073","MoKα","","0.0476","0.0351","","","0.0767","0.0868","","","","","","0.9008","","","","has coordinates","289446","2024-02-04","11:38:53",""
"7247887","10.5932","0.0002","5.3285","0.0001","22.3376","0.0005","90","","92.928","0.002","90","","1259.22","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N12 O14 Zn -","- C18 H14 N12 O14 Zn -","- C36 H28 N24 O28 Zn2 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","","0.71073","MoKα","","0.0419","0.0342","","","0.0902","0.094","","","","","","1.054","","","","has coordinates","289446","2024-02-04","11:38:54",""
"7247888","18.8181","0.0008","18.8181","0.0008","23.6351","0.0007","90","","90","","120","","7248.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H18 Cu N4 O9 -","- C20 H12 Cu N4 O9 -","- C120 H72 Cu6 N24 O54 -","6","0.5","","Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai","Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation","CrystEngComm","2024","26","6","773","782","10.1039/D3CE01169K","","x-ray","1.54184","CuKα","","0.0649","0.0527","","","0.1432","0.1527","","","","","","1.071","","","","has coordinates","290144","2024-03-04","20:07:33",""
"7247889","9.6542","0.0007","15.3891","0.0012","16.7669","0.0016","90","","97.803","0.003","90","","2468","0.4","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl2 Cu N8 O10 -","- C18 H22 Cl2 Cu N8 O10 -","- C72 H88 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0746","0.0691","","","0.1728","0.1771","","","","","","1.037","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247890","19.535","0.0009","14.0069","0.0007","10.0241","0.0005","90","","90.699","0.002","90","","2742.6","0.2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 B2 F8 N8 O2 Zn -","- C20 H30 B2 F8 N8 O2 Zn -","- C80 H120 B8 F32 N32 O8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0715","0.0686","","","0.1955","0.199","","","","","","1.082","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247891","18.3983","0.0014","18.9979","0.0014","10.4012","0.0007","90","","97.843","0.007","90","","3601.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F6 N8 O11 S2 Zn -","- C26 H18 F6 N8 O8 S2 Zn -","- C104 H72 F24 N32 O32 S8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.1651","0.099","","","0.2564","0.3139","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247892","18.58","0.003","16.19","0.002","9.4572","0.0013","90","","92.654","0.011","90","","2841.8","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Cu N8 O10 -","- C20 H30 Cl2 Cu N8 O10 -","- C80 H120 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.128","0.0782","","","0.2024","0.2453","","","","","","1.103","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247893","6.8471","0.0004","7.8394","0.0005","16.1936","0.0009","77.929","0.004","85.53","0.004","80.67","0.004","837.89","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","1","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.142","0.1185","","","0.2791","0.2945","","","","","","1.039","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247894","9.8837","0.0005","12.5723","0.0006","13.0446","0.0007","85.637","0.002","84.688","0.002","88.395","0.002","1608.94","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 N8 O11 Zn -","- C26 H26 Cl2 N8 O10 Zn -","- C52 H52 Cl4 N16 O20 Zn2 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0491","0.0483","","","0.1272","0.1279","","","","","","1.044","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247895","18.5166","0.0011","16.2958","0.0009","9.3201","0.0005","90","","92.768","0.004","90","","2809","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 N8 Ni O10 -","- C20 H30 Cl2 N8 Ni O10 -","- C80 H120 Cl8 N32 Ni4 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0821","0.0602","","","0.1639","0.1818","","","","","","1.058","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247896","9.8467","0.0006","12.6342","0.0008","12.9571","0.0008","85.731","0.003","85.591","0.004","88.909","0.003","1602.56","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 Co N8 O11 -","- C26 H26 Cl2 Co N8 O10 -","- C52 H52 Cl4 Co2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.082","0.0763","","","0.211","0.2201","","","","","","1.094","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247897","10.0299","0.0012","13.9025","0.0017","19.959","0.002","90","","90","","90","","2783.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C80 H122 Cl8 Fe4 N32 O41 -","4","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0798","0.0615","","","0.1639","0.1765","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247898","9.7671","0.0008","12.2209","0.001","13.5331","0.0012","87.818","0.005","81.123","0.005","83.122","0.004","1584.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24.5 Cl3.5 Mn N8 O10.5 -","- C24 H22 Cl2 Mn N8 O10 -","- C48 H44 Cl4 Mn2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0575","0.0518","","","0.1239","0.1273","","","","","","1.049","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247904","24.217","0.003","42.642","0.004","8.474","0.001","90","","90","","90","","8750.8","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H24 Br F N4 O2 -","- C22 H24 Br F N4 O2 -","- C352 H384 Br16 F16 N64 O32 -","16","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0427","0.0349","","","0.0797","0.0828","","","","","","1.046","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247905","9.789","0.001","9.937","0.001","12.479","0.001","75.4","0.01","82.79","0.01","75.88","0.03","1136.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Br F N4 O4 -","- C24 H27 Br F N4 O4 -","- C48 H54 Br2 F2 N8 O8 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0505","0.0442","","","0.1404","0.1469","","","","","","1.09","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247906","8.929","0.001","12.655","0.001","28.459","0.001","80.46","0.02","89.09","0.01","71.38","0.03","3002.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Br2 F2 N8 O14.5 -","- C58 H76 Br2 F2 N8 O14.5 -","- C116 H152 Br4 F4 N16 O29 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.1627","0.0687","","","0.1329","0.167","","","","","","1.019","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247907","8.866","0.001","14.05","0.001","14.358","0.001","117.44","0.02","94.18","0.03","95.2","0.03","1567.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H42 Br F N4 O7 -","- C31 H42 Br F N4 O7 -","- C62 H84 Br2 F2 N8 O14 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0521","0.0384","","","0.0918","0.0979","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247908","8.913","0.001","12.55","0.001","14.54","0.001","100.34","0.01","96.88","0.01","91.489","0.001","1586.6","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br F N4 O9 -","- C28 H40 Br F N4 O9 -","- C56 H80 Br2 F2 N8 O18 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0758","0.0419","","","0.0902","0.0981","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247909","10.149","0.001","13.513","0.002","13.857","0.002","113.16","0.01","106.52","0.01","98.22","0.01","1603.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Br F N4 O6 -","- C32 H42 Br F N4 O6 -","- C64 H84 Br2 F2 N8 O12 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0263","0.0242","","","0.0645","0.0656","","","","","","1.062","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247910","11.9478","0.0013","11.6849","0.0013","19.94","0.02","90","","90","","90","","2784","3","298","","298","","570000","","570000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1403","0.1108","","","0.312","0.3642","","","","","","1.547","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247911","11.4952","0.0015","19.71","0.03","11.7143","0.0018","90","","91.02","0.013","90","","2654","4","298","2","293","2","1050000","","1050000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1852","0.1242","","","0.3226","0.3682","","","","","","1.256","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247912","11.4968","0.0017","19.231","0.003","11.6579","0.0012","90","","91.196","0.011","90","","2576.9","0.6","298","2","298","2","1740000","","1740000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.16","0.1136","","","0.3225","0.3667","","","","","","1.374","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247913","11.4453","0.0014","18.97","0.02","11.5585","0.0017","90","","91.276","0.013","90","","2509","3","298","2","298","2","2320000","","2320000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1739","0.1211","","","0.3115","0.3489","","","","","","1.25","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247914","12.179","0.0017","11.8019","0.0017","20.61","0.03","90","","90","","90","","2962","4","298","","298","","220000","","220000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1709","0.116","","","0.3033","0.3662","","","","","","1.358","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247915","12.182","0.0004","11.79","0.0004","20.8728","0.0008","90","","90","","90","","2997.87","0.18","298","","298","","101.325","","101.325","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.0561","0.0407","","","0.0946","0.1022","","","","","","1.046","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247916","9.2164","0.0001","12.1632","0.0002","9.8754","0.0001","90","","96.584","0.001","90","","1099.74","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br N16 O16 -","- C10 H9 Br N16 O16 -","- C20 H18 Br2 N32 O32 -","2","1","","Jing, Suming; Deng, Jiahao; Li, Cong; Liu, Yucun; Zhu, Jin; Wang, Yuanyuan; Zhang, Wei; Liu, Jia","High energy explosive with low sensitivity: a new energetic cocrystal based on CL-20 and BMDNP","CrystEngComm","2024","26","8","1126","1132","10.1039/D3CE01118F","","x-ray","1.54184","CuKα","","0.0215","0.0211","","","0.0556","0.0559","","","","","","1.062","","","","has coordinates","290139","2024-03-04","20:06:16",""
"7247923","9.9684","0.0011","10.4769","0.0012","11.0045","0.0012","89.147","0.004","87.966","0.004","62.592","0.004","1019.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H10 N3 O6 Tc -","- C6 H10 N3 O6 Tc -","- C24 H40 N12 O24 Tc4 -","4","4","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.1041","0.0743","","","0.1584","0.1786","","","","","","1.031","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247924","9.2915","0.0003","17.0748","0.0005","19.5885","0.0005","90","","90","","90","","3107.73","0.16","100.15","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N3 O6 Re -","- C6 H10 N3 O6 Re -","- C72 H120 N36 O72 Re12 -","12","3","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.0421","0.0318","","","0.0505","0.0535","","","","","","0.969","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247925","12.8068","0.0002","9.5159","0.0001","16.9226","0.0002","90","","111.994","0.002","90","","1912.24","0.05","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 N O5 Zn -","- C11 H9 Br2 N O5 Zn -","- C44 H36 Br8 N4 O20 Zn4 -","4","1","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0327","0.03","","","0.0898","0.0916","","","","","","1.117","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247926","28.4852","0.0003","28.4852","0.0003","7.9052","0.0001","90","","90","","120","","5554.97","0.11","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br O4 Zn -","- C8 H3 Br O4 Zn -","- C144 H54 Br18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0622","0.0613","","","0.1998","0.201","","","","","","1.133","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247927","28.4445","0.0005","28.4445","0.0005","7.8224","0.0001","90","","90","","120","","5481.09","0.15","295.15","","295.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Cl O4 Zn -","- C8 H3 Cl O4 Zn -","- C144 H54 Cl18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0515","0.0492","","","0.1553","0.1576","","","","","","1.124","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247928","11.0562","0.0002","12.6155","0.0002","15.2102","0.0003","90","","90","","90","","2121.51","0.07","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 O5 Zn -","- C10 H8 O5 Zn -","- C80 H64 O40 Zn8 -","8","2","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","0.71073","MoKα","","0.0392","0.0307","","","0.0733","0.0761","","","","","","1.056","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247929","28.5799","0.0004","28.5799","0.0004","8.0913","0.0001","90","","90","","120","","5723.61","0.13","290.15","","290.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 I O4 Zn -","- C8 H3 I O4 Zn -","- C144 H54 I18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.067","0.0666","","","0.2117","0.2121","","","","","","1.118","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247930","28.4902","0.0004","28.4902","0.0004","7.9073","0.0001","90","","90","","120","","5558.4","0.13","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br0.41 Cl0.59 O4 Zn -","- C8 H3 Br0.408 Cl0.592 O4 Zn -","- C144 H54 Br7.344 Cl10.656 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","x-ray","1.54184","CuKα","","0.056","0.0541","","","0.1769","0.1792","","","","","","1.104","","","","has coordinates,has disorder","289439","2024-02-04","11:37:07",""
"7247932","10.3592","0.0002","10.3592","0.0002","20.7675","0.0008","90","","90","","120","","1930.04","0.09","243","2","243","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 K5 N10 O6 -","- C6 H9 K5 N10.0005 O6 -","- C24 H36 K20 N40.002 O24 -","4","0.333333","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.0353","0.0267","","","0.0573","0.0621","","","","","","1.136","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247933","23.7161","0.0016","7.198","0.0007","20.5953","0.0018","90","","90","","90","","3515.8","0.5","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 F18 K8 N10 O12 -","- C12 F18 K8 N10 O12 -","- C48 F72 K32 N40 O48 -","4","1","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.1244","0.0728","","","0.1817","0.2271","","","","","","1.023","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247947","9.515","0.003","12.609","0.004","11.115","0.004","90","","103.185","0.008","90","","1298.4","0.7","296.25","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N6 O -","- C10 H20 N6 O -","- C40 H80 N24 O4 -","4","1","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","0.71073","MoKα","","0.1561","0.0596","","","0.1493","0.2125","","","","","","1.01","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247948","6.2573","0.0006","13.544","0.0013","7.2073","0.0009","90","","92.963","0.011","90","","609.99","0.11","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N12 O -","- C6 H16 N12 O -","- C12 H32 N24 O2 -","2","0.5","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","1.54184","CuKα","","0.0718","0.0637","","","0.1799","0.2043","","","","","","1.056","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247952","5.0351","0.0002","25.7114","0.001","8.667","0.0003","90","","106.89","0.004","90","","1073.63","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","1.54184","CuKα","","0.0561","0.0505","","","0.1278","0.1334","","","","","","1.054","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247953","5.0339","0.0002","16.1821","0.0008","16.2812","0.0007","90","","90","","90","","1326.25","0.1","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","","1.54184","CuKα","","0.044","0.0408","","","0.1029","0.1062","","","","","","1.066","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247954","4.9438","0.0001","17.0476","0.0003","8.7107","0.0002","90","","105.326","0.002","90","","708.03","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 N3 O5 S -","- C10 H21 N3 O5 S -","- C20 H42 N6 O10 S2 -","2","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0369","0.0338","","","0.0868","0.0886","","","","","","1.044","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247955","5.024","0.0001","8.6623","0.0003","14.2346","0.0009","96.682","0.004","95.901","0.004","106.738","0.003","583.12","0.05","294.15","","294.15","","","","","","","","","4","P 1","P 1","1","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C16 H30 N6 O8 -","2","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0826","0.0771","","","0.2056","0.2189","","","","","","1.084","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7247956","10.066","0.0005","16.1694","0.0007","16.1972","0.0006","90","","90","","90","","2636.3","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 O5 -","- C10 H21 N3 O5 -","- C80 H168 N24 O40 -","8","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0914","0.0587","","","0.1195","0.1375","","","","","","1.03","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247957","5.0124","0.0003","15.2769","0.001","16.3628","0.001","90","","90","","90","","1252.96","0.13","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 N3 O6 -","- C8 H19 N3 O6 -","- C32 H76 N12 O24 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0928","0.0559","","","0.11","0.1313","","","","","","1.035","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247958","7.3734","0.0018","10.207","0.002","21.402","0.005","99.812","0.005","98.717","0.005","102.962","0.006","1516.2","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C28 H33 Cl N6 O6.81 -","- C28 H33 Cl N6 O6.805 -","- C56 H66 Cl2 N12 O13.61 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1265","0.0585","","","0.1594","0.2079","","","","","","1.016","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247959","9.3478","0.0002","12.5278","0.0002","25.5542","0.0004","90","","91.676","0.001","90","","2991.3","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Domperidone mandelate dihydrate","Domperidone mandelate dihydrate","","- C30 H36 Cl N5 O7 -","- C30 H36 Cl N5 O7 -","- C120 H144 Cl4 N20 O28 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1754","0.0588","","","0.1392","0.1928","","","","","","0.943","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247960","9.454","0.002","12.248","0.003","12.77","0.003","90.05","0.007","107.616","0.006","98.32","0.006","1392.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate","Domperidone mandelate","","- C30 H32.24 Cl N5 O5 -","- C30 H32.237 Cl N5 O5 -","- C60 H64.474 Cl2 N10 O10 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1641","0.0666","","","0.1591","0.2057","","","","","","1.029","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247961","7.5379","0.0004","11.3926","0.0006","15.869","0.0008","99.679","0.002","102.801","0.002","91.935","0.002","1306.4","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone orotate","Domperidone orotate","","- C27 H28 Cl N7 O6 -","- C27 H28 Cl N7 O6 -","- C54 H56 Cl2 N14 O12 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1688","0.0545","","","0.1162","0.1545","","","","","","0.927","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247962","7.4744","0.0002","10.1384","0.0002","21.5088","0.0005","102.006","0.0007","94.2351","0.0008","104.624","0.0009","1528.79","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone salicylate hydrate","Domperidone salicylate hydrate","","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","1","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1703","0.0572","","","0.1423","0.1751","","","","","","1.014","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247963","7.3045","0.0002","10.2362","0.0002","21.8241","0.0005","80.9935","0.0007","82.5939","0.0007","79.5884","0.0007","1576.61","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate hydrate","Domperidone mandelate hydrate","","- C30 H36 Cl N5 O7.27 -","- C30 H36 Cl N5 O7.268 -","- C60 H72 Cl2 N10 O14.536 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1624","0.053","","","0.1446","0.1887","","","","","","0.982","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247964","14.471","0.005","17.466","0.006","11.749","0.004","90","","92.939","0.006","90","","2965.7","1.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C56 H66 Cl2 N12 O13 -","- C56 H66 Cl2 N12 O13 -","- C112 H132 Cl4 N24 O26 -","2","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1473","0.0687","","","0.1861","0.2394","","","","","","1.015","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247965","9.7232","0.0002","9.501","0.0002","31.7204","0.0005","90","","92.0116","0.0007","90","","2928.53","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone aspirin","Domperidone aspirin","","- C31 H32 Cl N5 O6 -","- C31 H32 Cl N5 O6 -","- C124 H128 Cl4 N20 O24 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.0894","0.0532","","","0.1297","0.1508","","","","","","1.045","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247967","12.4945","0.0001","12.4945","0.0001","12.4945","0.0001","90","","90","","90","","1950.55","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca2.855 Ga3.045 Nb1.665 O12 Yb0.0325 -","- Ca2.8548 Ga3.0444 Nb1.665 O12 Yb0.0324 -","- Ca22.8384 Ga24.3552 Nb13.32 O96 Yb0.2592 -","8","0.0833333","","Li, Xiaoheng; Lu, Dazhi; Wang, Shuxian; Wu, Kui; Yu, Haohai; Li, Jing; Zhang, Huaijin","Growth of 60 mm-diameter Yb:CNGG single crystals with disordered coordination structure for high-energy laser systems","CrystEngComm","2024","26","5","697","703","10.1039/D3CE01151H","","","0.71073","MoKα","","0.0179","0.0178","","","0.0558","0.0559","","","","","","1.046","","","","has coordinates","289441","2024-02-04","11:37:27",""
"7247968","10.196","0.005","12.292","0.005","13.672","0.005","71.38","0.005","73.265","0.005","66.095","0.005","1459.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Cu N6 O8 -","- C23 H22 Cu N6 O8 -","- C46 H44 Cu2 N12 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0395","0.0336","","","0.087","0.0908","","","","","","1.096","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247969","10.18","0.001","10.728","0.001","19.078","0.0013","85.594","0.007","77.042","0.007","81.97","0.008","2008.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cu2 N10 O13 -","- C37 H34 Cu2 N10 O13 -","- C74 H68 Cu4 N20 O26 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0774","0.0584","","","0.1584","0.1773","","","","","","1.033","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247970","9.6099","0.0006","23.7989","0.0016","11.1127","0.0007","90","","96.2","0.006","90","","2526.7","0.3","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu N6 O7 -","- C25 H24 Cu N6 O7 -","- C100 H96 Cu4 N24 O28 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0685","0.0469","","","0.1041","0.1141","","","","","","1.041","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247971","14.3344","0.0008","9.9511","0.0004","34.0401","0.0015","90","","96.508","0.005","90","","4824.3","0.4","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu2 N12 O14.48 -","- C47 H35 Cu2 N12 O14.464 -","- C188 H140 Cu8 N48 O57.856 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0845","0.0692","","","0.1647","0.175","","","","","","1.088","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247972","9.2705","0.0004","10.1686","0.0005","20.8317","0.0012","81.868","0.004","82.682","0.004","86.369","0.004","1926.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cu2 N8 O8 -","- C35 H22 Cu2 N8 O8 -","- C70 H44 Cu4 N16 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","1.54184","CuKα","","0.0824","0.0562","","","0.1318","0.1439","","","","","","0.985","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247973","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247974","22.68","0.002","4.9699","0.0003","27.573","0.003","90","","123.819","0.007","90","","2582.1","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0956","0.0763","","","0.1102","0.1248","","","","","","1.004","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247975","4.5421","0.0003","21.7134","0.0019","19.3708","0.0013","90","","92.541","0.006","90","","1908.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Hg3 I8 N4 O2 -","- C24 H18 Hg3 I8 N4 O2 -","- C48 H36 Hg6 I16 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0815","0.064","","","0.1055","0.1276","","","","","","0.912","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247976","4.5326","0.0004","21.434","0.0012","19.1582","0.0016","90","","92.076","0.007","90","","1860","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C48 H36 Br4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.08","0.0528","","","0.1174","0.1283","","","","","","1.028","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247977","38.52","0.007","4.8018","0.0008","14.841","0.002","90","","100.118","0.013","90","","2702.4","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Hg I2 N4 O2 -","- C24 H18 Cl2 Hg I2 N4 O2 -","- C96 H72 Cl8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1476","0.0719","","","0.1196","0.1426","","","","","","0.909","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247978","25.08","0.006","14.097","0.004","9.2","0.002","90","","100.394","0.018","90","","3199.3","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cl Hg I2 N2 O -","- C12 H9 Cl Hg I2 N2 O -","- C96 H72 Cl8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0986","0.0861","","","0.1658","0.1952","","","","","","0.895","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247979","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247980","23.569","0.003","4.9189","0.0004","27.722","0.003","90","","124.465","0.007","90","","2649.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br4 Hg N4 O2 -","- C24 H18 Br4 Hg N4 O2 -","- C96 H72 Br16 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0909","0.0705","","","0.1562","0.1761","","","","","","1.011","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247981","23.266","0.003","4.9212","0.0004","27.288","0.003","90","","124.251","0.008","90","","2582.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1017","0.0701","","","0.168","0.1853","","","","","","0.971","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247982","4.5347","0.0004","21.3006","0.0012","19.0448","0.0015","90","","91.533","0.007","90","","1838.9","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C48 H36 Cl4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.915","0.0906","","","0.1101","0.1419","","","","","","0.939","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247983","8.0015","0.0012","9.2079","0.0013","12.4641","0.0018","98.279","0.012","100.092","0.012","108.027","0.011","840.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","1","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0857","0.0627","","","0.1611","0.1713","","","","","","0.926","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247984","5.1554","0.0001","8.9641","0.0003","9.1377","0.0004","100.539","0.003","104.874","0.003","90.936","0.002","400.36","0.02","168","2","168","2","","","","","","","","5","P -1","-P 1","2","sodiun zincophosphate chloride","","","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl Na9 O16 P4 Zn2 -","2","1","","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga","Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl","CrystEngComm","2024","26","6","848","855","10.1039/D3CE01242E","","","0.71073","MoKα","","0.0175","0.0167","","","0.045","0.0454","","","","","","1.188","","","","has coordinates","290146","2024-03-04","20:07:47",""
"7247989","15.6078","0.0008","19.1265","0.001","24.1307","0.0008","90","","110.387","0.002","90","","6752.3","0.5","188","","188","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 N7 O19 Tb Zn2 -","- C66 H80 N7 O19 Tb Zn2 -","- C264 H320 N28 O76 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.041","0.0366","","","0.0997","0.1022","","","","","","1.036","","","","has coordinates","290151","2024-03-04","20:09:12",""
"7247990","12.3634","0.0007","18.1775","0.0011","16.4172","0.0008","90","","100.662","0.0019","90","","3625.8","0.3","191","","191","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0465","0.0425","","","0.104","0.1075","","","","","","1.043","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247991","12.3427","0.0011","18.1743","0.0013","16.3681","0.0014","90","","100.677","0.003","90","","3608.1","0.5","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0498","0.0436","","","0.1072","0.1128","","","","","","1.01","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247992","15.2744","0.0006","15.3918","0.0005","26.2915","0.0009","90","","90","","90","","6181.1","0.4","188","","188","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C240 H256 Cl16 N28 O60 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0292","0.0273","","","0.0624","0.0632","","","","","","1.028","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247993","12.1126","0.0009","18.5566","0.0014","16.3863","0.0011","90","","98.127","0.002","90","","3646.1","0.5","188","","188","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0592","0.0428","","","0.1052","0.1209","","","","","","1.066","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247994","15.7164","0.0008","15.9773","0.0009","24.5892","0.0012","90","","90","","90","","6174.5","0.6","188","","188","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mn2 N7 O18 Tb -","- C61 H72 Mn2 N7 O18 Tb -","- C244 H288 Mn8 N28 O72 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0204","0.0194","","","0.0512","0.0523","","","","","","0.424","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247995","12.0645","0.0006","18.5409","0.0011","16.4406","0.0008","90","","98.0231","0.0016","90","","3641.5","0.3","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0846","0.045","","","0.0999","0.1441","","","","","","1.129","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247996","23.9154","0.0018","17.9234","0.0014","16.4008","0.0011","90","","98.864","0.002","90","","6946.2","0.9","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C248 H272 Cl32 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0779","0.0589","","","0.1404","0.1498","","","","","","1.065","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247997","11.8404","0.0017","11.8606","0.0014","14.328","0.002","104.939","0.004","90.305","0.004","117.451","0.004","1707","0.4","188","","188","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H84 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","1","0.5","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0253","0.0238","","","0.071","0.0729","","","","","","1.147","","","","has coordinates,has disorder","290151","2024-03-04","20:09:19",""
"7247998","18.4535","0.0008","14.872","0.0005","25.4136","0.0008","90","","115.697","0.002","90","","6284.7","0.4","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C240 H256 Cl16 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0311","0.0242","","","0.0604","0.0634","","","","","","1.044","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7248001","9.5818","0.0004","10.4568","0.0005","11.5348","0.0005","114.713","0.002","94.029","0.002","96.506","0.002","1034.22","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","UmeRitter2","","- C19 H8 F3 Mo N O5 S2 -","- C19 H8 F3 Mo N O5 S2 -","- C38 H16 F6 Mo2 N2 O10 S4 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0243","0.0216","","","0.0541","0.0558","","","","","","1.076","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248002","18.1737","0.0007","10.1525","0.0003","25.8418","0.0007","90","","90.06","0.002","90","","4768","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","TNSUmeF2","","- C20 H8 Cl2 F5 Mo N O5 S -","- C20 H8 Cl2 F5 Mo N O5 S -","- C160 H64 Cl16 F40 Mo8 N8 O40 S8 -","8","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.055","0.0462","","","0.0929","0.0966","","","","","","1.185","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248003","10.1988","0.0004","10.2849","0.0004","13.3894","0.0005","73.18","0.001","85.274","0.002","62.991","0.002","1195.77","0.08","105","","105","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H9 Cl2 F3 Mo0.822 N2 O7 S W0.178 -","- C20 H9 Cl2 F3 Mo0.82222 N2 O7 S W0.17778 -","- C40 H18 Cl4 F6 Mo1.64444 N4 O14 S2 W0.35556 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0444","0.0366","","","0.0966","0.1096","","","","","","1.1098","","","","has coordinates,has disorder","289438","2024-02-04","11:36:51",""
"7248004","7.9881","0.0008","6.0289","0.0004","9.0193","0.001","90","","100.291","0.009","90","","427.38","0.07","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 F2 I -","- C3 F2 I -","- C12 F8 I4 -","4","1","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0361","0.0327","","","0.0818","0.0848","","","","","","1.08","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248005","43.551","0.0012","4.45154","0.00019","11.3608","0.0004","90","","90.067","0.003","90","","2202.51","0.14","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C80 F48 I16 -","8","2","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","x-ray","0.71073","MoKα","","0.1114","0.0956","","","0.2158","0.2243","","","","","","1.167","","","","has coordinates,has disorder","290145","2024-03-04","20:07:41",""
"7248006","10.2667","0.0009","6.0444","0.0004","8.9912","0.0006","90","","94.075","0.007","90","","556.55","0.07","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C20 F12 I4 -","2","0.5","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0433","0.0332","","","0.0711","0.0755","","","","","","1.055","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248013","6.6611","0.0007","36.847","0.003","6.6223","0.0008","90","","91.048","0.009","90","","1625.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 K3 S20 Si7 -","- Ga3 K3 S20 Si7 -","- Ga6 K6 S40 Si14 -","2","0.5","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0967","0.0549","","","0.0955","0.1117","","","","","","1.044","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248014","6.9955","0.0009","7.4508","0.0009","14.2302","0.0014","87.204","0.009","81.546","0.009","69.495","0.011","687.16","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 S8 Si3 Zn -","- K2 S8 Si3 Zn -","- K4 S16 Si6 Zn2 -","2","1","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0818","0.0573","","","0.116","0.1294","","","","","","1.122","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248022","17.513","0.004","14.247","0.003","14.249","0.003","90","","112.7","0.03","90","","3279.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 N6 O11 Zn -","- C33 H34 N6 O11 Zn -","- C132 H136 N24 O44 Zn4 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.037","0.0332","","","0.0841","0.0853","","","","","","1.077","","","","has coordinates","290148","2024-03-04","20:08:08",""
"7248023","14.608","0.002","14.608","0.002","24.244","0.005","90","","90","","120","","4480.4","1.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C74 H84 N14 Ni3 O31 -","- C66 H60 N12 Ni3 O24 -","- C132 H120 N24 Ni6 O48 -","2","0.333333","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1829","0.1458","","","0.3727","0.4034","","","","","","1.389","","","","has coordinates","290148","2024-03-04","20:08:16",""
"7248024","11.732","0.002","23.592","0.005","14.243","0.003","90","","111.45","0.03","90","","3669.1","1.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H66 N16 O24 Zn3 -","- C70 H66 N15.999 O23.997 Zn3 -","- C140 H132 N31.998 O47.994 Zn6 -","2","0.5","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1247","0.0766","","","0.2322","0.2678","","","","","","1.072","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248025","21.1949","0.0018","18.9263","0.0018","22.497","0.002","90","","105.855","0.002","90","","8681.1","1.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 Cu3 N14 O26 -","- C82 H82 Cu3 N14 O26 -","- C328 H328 Cu12 N56 O104 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.71073","MoKα","","0.1717","0.1061","","","0.2706","0.3305","","","","","","1.075","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248026","17.551","0.004","14.217","0.003","14.235","0.003","90","","112.49","0.03","90","","3281.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 Co N6 O11 -","- C33 H34 Co N6 O11 -","- C132 H136 Co4 N24 O44 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.1329","0.0631","","","0.1092","0.1256","","","","","","0.851","","","","has coordinates","290148","2024-03-04","20:08:17",""
"7248027","7.5135","0.0002","12.1526","0.0006","14.5092","0.0004","92.374","0.003","99.647","0.002","96.671","0.003","1294.73","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I2 N3 O2 Zn -","- C25 H23 I2 N3 O2 Zn -","- C50 H46 I4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","x-ray","0.71073","MoKα","","0.0416","0.0337","","","0.0686","0.0748","","","","","","1.041","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248028","7.3928","0.0003","11.9818","0.0004","14.0657","0.0004","93.806","0.003","99.114","0.003","95.971","0.003","1219.16","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Br2 N3 O2 Zn -","- C25 H23 Br2 N3 O2 Zn -","- C50 H46 Br4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1016","","","","","","1.062","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248033","6.5961","0.0017","7.3355","0.0015","11.576","0.002","97.689","0.009","104.047","0.011","99.886","0.011","526.2","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N12 O2 -","- C4 H8 N12 O2 -","- C8 H16 N24 O4 -","2","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","1.54178","CuKα","","0.0391","0.0359","","","0.1013","0.104","","","","","","1.03","","","","has coordinates","290143","2024-03-04","20:07:20",""
"7248034","9.6066","0.0006","19.859","0.0014","4.6599","0.0002","90","","90","","90","","889","0.09","173","2","173.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H8 Cl N7 O2 -","- C4 H8 Cl N7 O2 -","- C16 H32 Cl4 N28 O8 -","4","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","0.71073","MoKα","","0.0399","0.0316","","","0.0612","0.0638","","","","","","1.075","","","","has coordinates","290143","2024-03-04","20:07:21",""
"7248035","8.3969","0.0001","10.2061","0.0001","31.5288","0.0004","90","","90","","90","","2702.01","0.05","212.99","0.1","213.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O7 -","- C31 H38 N2 O7 -","- C124 H152 N8 O28 -","4","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.54184","CuKα","","0.0448","0.0417","","","0.1139","0.1201","","","","","","1.099","","","","has coordinates,has disorder","290141","2024-03-04","20:06:37",""
"7248036","11.7266","0.0006","11.7266","0.0006","21.9372","0.0016","90","","90","","90","","3016.7","0.3","150","","150.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","matrine-h2o","","- C15 H27.5 N2 O2.75 -","- C15 H26 N2 O2 -","- C120 H208 N16 O16 -","8","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.34139","GaKα","","0.0412","0.0339","","","0.0787","0.0826","","","","","","1.035","","","","has coordinates","290141","2024-03-04","20:06:37",""
"7248040","7.1182","0.0012","22.582","0.004","5.9936","0.001","90","","103.469","0.005","90","","936.9","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cu F N O4 -","- C9 H8 Cu F N O4 -","- C36 H32 Cu4 F4 N4 O16 -","4","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0488","0.0324","","","0.0724","0.078","","","","","","1.058","","","","has coordinates","290898","2024-04-04","23:09:45",""
"7248041","26.796","0.005","26.796","0.005","7.4941","0.0014","90","","90","","120","","4660","1.5","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Cu I N O3 -","- C9 H6 Cu I N O3 -","- C162 H108 Cu18 I18 N18 O54 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0386","0.0309","","","0.0783","0.0845","","","","","","1.045","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248042","26.8602","0.0006","26.8602","0.0006","7.2007","0.0005","90","","90","","120","","4499.1","0.3","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Br Cu N O3.056 -","- C9 H6 Br Cu N O3.05556 -","- C162 H108 Br18 Cu18 N18 O55.0001 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0446","0.0324","","","0.0857","0.0931","","","","","","1.0462","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248043","9.4413","0.0003","12.1521","0.0005","16.2434","0.0007","90","","93.569","0.001","90","","1860.02","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0593","0.0424","","","0.0915","0.1029","","","","","","0.997","","","","has coordinates","289184","2024-01-22","23:41:08",""
"7248044","9.6452","0.0015","12.4497","0.0019","16.168","0.002","90","","92.796","0.005","90","","1939.1","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0667","0.0472","","","0.1214","0.141","","","","","","1.021","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248045","9.5688","0.0002","12.9473","0.0003","15.9128","0.0003","90","","90","","90","","1971.44","0.07","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C56 H112 Cl16 Co4 N8 O8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.0419","0.0349","","","0.0838","0.087","","","","","","1.059","","","","has coordinates,has disorder","289184","2024-01-22","23:41:09",""
"7248046","6.5731","0.0015","16.213","0.004","13.002","0.003","90","","91.784","0.007","90","","1384.9","0.6","301","","301","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0644","0.0559","","","0.1432","0.15","","","","","","1.042","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248047","6.4979","0.0004","16.0144","0.001","12.9534","0.0008","90","","91.907","0.002","90","","1347.18","0.14","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0296","0.0286","","","0.0645","0.065","","","","","","1.062","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248048","9.5314","0.0012","15.705","0.002","38.49","0.005","90","","90","","90","","5761.6","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C168 H336 Cl48 Co12 N24 O24 -","12","3","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.1199","0.1011","","","0.2876","0.3132","","","","","","1.258","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248049","12.4408","0.0007","15.1905","0.0008","16.5411","0.0009","92.864","0.003","102.624","0.003","106.246","0.003","2907.9","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Ponatinib HCl","3-(imidazo[1,2-b]pyridazin-3-yylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride","","- C58 H63 Cl3 F6 N12 O5 -","- C58 H63 Cl3 F6 N12 O5 -","- C116 H126 Cl6 F12 N24 O10 -","2","1","","Stirk, Alexander J.; Holmes, Sean T.; Souza, Fabio E. S.; Hung, Ivan; Gan, Zhehong; Britten, James F.; Rey, Allan W.; Schurko, Robert W.","An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy.","CrystEngComm","2024","26","9","1219","1233","10.1039/d3ce01062g","","","0.71073","MoKα","","0.0895","0.0599","","","0.1595","0.1733","","","","","","1.096","","","","has coordinates","290156","2024-03-04","20:10:19",""
"7248050","36.361","0.004","5.9049","0.0006","21.101","0.002","90","","115.569","0.003","90","","4086.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O9 Zn -","- C20 H18 N2 O9 Zn -","- C160 H144 N16 O72 Zn8 -","8","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.0426","0.0413","","","0.1254","0.1272","","","","","","1.072","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248051","11.3657","0.0007","17.0847","0.0014","9.57","0.0008","90","","107.99","0.002","90","","1767.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N6 O6 Zn -","- C17 H12 N6 O6 Zn -","- C68 H48 N24 O24 Zn4 -","4","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","0.71073","MoKα","","0.0389","0.0303","","","0.0725","0.0785","","","","","","1.059","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248052","8.7045","0.0003","15.5177","0.0005","18.7098","0.0006","110.77","0.002","92.2","0.002","91.272","0.002","2359.49","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N11 O9 Zn2 -","- C18 H19 N11 O9 Zn2 -","- C72 H76 N44 O36 Zn8 -","4","2","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.197","0.1002","","","0.2424","0.3087","","","","","","0.998","","","","has coordinates","290157","2024-03-04","20:10:32",""
"7248053","10.1417","0.0002","18.861","0.0003","16.4838","0.0002","90","","105.408","0.002","90","","3039.74","0.09","212.99","0.1","212.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Mn2 N O15 -","- C28 H23 Mn2 N O15 -","- C112 H92 Mn8 N4 O60 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0551","0.0466","","","0.1097","0.1136","","","","","","1.055","","","","has coordinates,has disorder","290880","2024-04-04","23:04:06",""
"7248054","19.1708","0.0008","6.2123","0.0003","9.5258","0.0005","90","","102.172","0.004","90","","1108.97","0.09","213","0.1","213","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H16 Mn O14 -","- C23 H16 Mn O14 -","- C46 H32 Mn2 O28 -","2","0.5","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.0987","0.1052","","","","","","1.067","","","","has coordinates,has disorder","290880","2024-04-04","23:04:07",""
"7248055","11.2767","0.0004","11.9402","0.0004","12.4311","0.0004","96.076","0.003","104.603","0.003","111.886","0.003","1465.3","0.1","213","0.1","213","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Mn N2 O13 -","- C33 H22 Mn N2 O13 -","- C66 H44 Mn2 N4 O26 -","2","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0559","0.0494","","","0.1318","0.1363","","","","","","1.057","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248056","14.081","0.004","19.265","0.005","16.785","0.005","90","","100.61","0.006","90","","4475","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Mn2 N4 O17 -","- C39 H48 Mn2 N4 O17 -","- C156 H192 Mn8 N16 O68 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","","0.71073","MoKα","","0.1413","0.0653","","","0.1522","0.1871","","","","","","0.996","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248057","6.6228","0.0004","10.0408","0.0008","22.0134","0.0016","90","","94.015","0.005","90","","1460.26","0.18","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1003","0.0652","","","0.1654","0.1913","","","","","","1.078","","","","has coordinates","290877","2024-04-04","23:03:32",""
"7248058","5.3231","0.0009","11.4404","0.0019","12.235","0.002","73.954","0.015","81.185","0.014","89.683","0.014","707.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C32 H28 N12 O2 -","2","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1126","0.0819","","","0.1984","0.2327","","","","","","1.028","","","","has coordinates","290877","2024-04-04","23:03:33",""
"7248060","18.493","0.0007","18.493","0.0007","7.1799","0.0005","90","","90","","90","","2455.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C116 H104 Br8 -","- C116 H104 Br8 -","- C116 H104 Br8 -","1","0.125","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0684","0.0394","","","0.0728","0.082","","","","","","1","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248061","7.1953","0.0003","25.4666","0.0009","10.1699","0.0004","90","","107.729","0.004","90","","1775.03","0.13","101","2","101","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 Br4 -","- C42 H38 Br4 -","- C84 H76 Br8 -","2","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0458","0.0374","","","0.0644","0.0665","","","","","","1.034","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248062","18.7063","0.0012","7.1729","0.0005","25.574","0.002","90","","101.643","0.007","90","","3360.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Br4 Cl3 -","- C35 H29 Br4 Cl3 -","- C140 H116 Br16 Cl12 -","4","0.5","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.115","0.0672","","","0.1635","0.1851","","","","","","1.058","","","","has coordinates,has disorder","290140","2024-03-04","20:06:29",""
"7248063","19.2611","0.0014","7.1873","0.0007","25.1626","0.0019","90","","94.187","0.008","90","","3474.1","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41 H36 Br4 -","- C41 H36 Br4 -","- C164 H144 Br16 -","4","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.066","0.0493","","","0.101","0.1064","","","","","","1.056","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248064","10.8095","0.0007","15.4233","0.0009","19.8301","0.001","67.615","0.005","80.075","0.005","74.356","0.005","2934.6","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 Br4 -","- C34 H28 Br4 -","- C136 H112 Br16 -","4","2","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.1042","0.0524","","","0.1061","0.1219","","","","","","1.032","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248065","14.4222","0.0015","9.8977","0.0011","15.7318","0.0016","90","","115.349","0.005","90","","2029.4","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl2 Cu N8 O8 -","- C12 H16 Cl2 Cu N8 O8 -","- C48 H64 Cl8 Cu4 N32 O32 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0537","0.0428","","","0.114","0.1202","","","","","","1.072","","","","has coordinates","290142","2024-03-04","20:07:02",""
"7248066","13.6445","0.0013","9.875","0.0009","14.6405","0.0014","90","","112.024","0.005","90","","1828.7","0.3","298","","298","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","x-ray","0.71073","MoKα","","0.0508","0.0435","","","0.1197","0.1251","","","","","","1.077","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248067","36.169","0.003","9.9451","0.0009","13.4069","0.0016","90","","90","","90","","4822.5","0.8","298.15","","298.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C12 H12 Cl6 Cu N8 O8 -","- C12 H12 Cl6 Cu N8 O8 -","- C96 H96 Cl48 Cu8 N64 O64 -","8","0.25","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.1081","0.093","","","0.2395","0.2527","","","","","","1.128","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248068","12.171","0.0013","12.171","0.0013","43.96","0.004","90","","90","","120","","5639.5","1","298","2","298.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H33 Cu3 N19 O4 -","- C27 H33 Cu3 N19 O4 -","- C162 H198 Cu18 N114 O24 -","6","0.333333","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0675","0.056","","","0.1606","0.1678","","","","","","1.117","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248069","38.031","0.003","7.9094","0.0008","14.7249","0.0011","90","","102.767","0.003","90","","4319.8","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 Cu N10 O6 -","- C12 H12 Cl4 Cu N10 O6 -","- C96 H96 Cl32 Cu8 N80 O48 -","8","1","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0916","0.0759","","","0.1873","0.1943","","","","","","1.125","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248070","8.7652","0.0004","10.7608","0.0005","11.206","0.0005","103.334","0.0018","92.5999","0.0018","107.653","0.0017","972.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16.5 N1.5 O6 U -","- C21 H16.5 N1.5 O6 U -","- C42 H33 N3 O12 U2 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.024","0.021","","","0.0447","0.0456","","","","","","1.151","","","","has coordinates,has disorder","290155","2024-03-04","20:10:08",""
"7248071","15.7139","0.0005","15.008","0.0005","22.3323","0.0006","90","","96.4976","0.0011","90","","5232.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N2 O18 U2 -","- C58 H56 N2 O18 U2 -","- C232 H224 N8 O72 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0232","0.0194","","","0.041","0.0431","","","","","","1.059","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248072","8.6348","0.0003","14.3691","0.0005","27.8539","0.0011","93.9567","0.0017","98.1776","0.0017","94.847","0.0016","3397.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 N8 Ni O21 U2 -","- C70 H52 N8 Ni O21 U2 -","- C140 H104 N16 Ni2 O42 U4 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0387","0.0358","","","0.0785","0.0796","","","","","","1.208","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248073","28.912","0.0013","11.9986","0.0005","13.6561","0.0005","90","","95.2025","0.0017","90","","4717.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O7 U -","- C22 H21 N O7 U -","- C176 H168 N8 O56 U8 -","8","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0385","0.034","","","0.087","0.0892","","","","","","1.174","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248074","8.4166","0.0003","21.8953","0.0007","8.4203","0.0003","90","","93.6517","0.0012","90","","1548.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O6 U -","- C18 H12 O6 U -","- C72 H48 O24 U4 -","4","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0175","0.0164","","","0.0385","0.039","","","","","","1.119","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248075","23.3097","0.0006","13.3655","0.0003","13.5379","0.0003","90","","90","","90","","4217.68","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H76 O16 P2 U2 -","- C102 H76 O16 P2 U2 -","- C204 H152 O32 P4 U4 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0204","0.019","","","0.04","0.0408","","","","","","1.038","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248076","17.5195","0.0006","26.5815","0.0007","8.8808","0.0003","90","","90","","90","","4135.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H80 N4 O26 U4 -","- C80 H80 N4 O26 U4 -","- C160 H160 N8 O52 U8 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0605","0.0472","","","0.0992","0.1058","","","","","","1.035","","","","has coordinates,has disorder","290155","2024-03-04","20:10:09",""
"7248077","15.4596","0.0004","15.193","0.0004","21.8735","0.0005","90","","95.5571","0.0009","90","","5113.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H43 Ag2 N2 O16.5 U2 -","- C58 H42 Ag2 N2 O16.5 U2 -","- C232 H168 Ag8 N8 O66 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0183","0.0182","","","0.0465","0.0466","","","","","","1.073","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248080","6.802","0.0005","21.332","0.002","13.2767","0.0012","90","","97.576","0.003","90","","1909.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 N8 O20 Th -","- C4 H16 N8 O20 Th -","- C16 H64 N32 O80 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.016","0.0142","","","0.034","0.0346","","","","","","1.124","","","","has coordinates","290882","2024-04-04","23:05:46",""
"7248081","9.1818","0.0008","15.7857","0.0013","16.523","0.002","68.362","0.004","89.898","0.004","75.32","0.002","2142.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N14 O28 Th -","- C30 H34 N14 O28 Th -","- C60 H68 N28 O56 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0302","0.0231","","","0.0403","0.0417","","","","","","1.072","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248082","12.2065","0.001","12.3878","0.001","19.2532","0.0016","90","","108.057","0.002","90","","2767.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N10 O21 Th -","- C15 H18 N10 O21 Th -","- C60 H72 N40 O84 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0173","0.0157","","","0.0347","0.0353","","","","","","1.17","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248083","7.5205","0.0003","9.4305","0.0004","19.2896","0.0008","86.993","0.001","83.564","0.001","81.812","0.001","1344.65","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N10 O21 Th -","- C15 H15 N10 O21 Th -","- C30 H30 N20 O42 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0256","0.0196","","","0.0336","0.0348","","","","","","1.029","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248084","10.1866","0.0007","13.3824","0.0009","13.089","0.0009","90","","95.951","0.002","90","","1774.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N12 O24 Th -","- C20 H24 N12 O24 Th -","- C40 H48 N24 O48 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0209","0.0178","","","0.0464","0.0485","","","","","","1.081","","","","has coordinates,has disorder","290882","2024-04-04","23:05:47",""
"7248085","8.8462","0.0006","13.2604","0.0009","11.0517","0.0007","90","","101.802","0.002","90","","1269","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N8 O18 Th -","- C14 H20 N8 O18 Th -","- C28 H40 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0324","0.018","","","0.0362","0.0399","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248086","19.3201","0.0009","10.8154","0.0005","13.1377","0.0006","90","","109.58","0.001","90","","2586.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N10 O18 Th -","- C16 H14 N10 O18 Th -","- C64 H56 N40 O72 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0395","0.0208","","","0.0367","0.0409","","","","","","1.015","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248087","8.5991","0.0005","10.9119","0.0006","12.5427","0.0007","90","","94.099","0.001","90","","1173.9","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N8 O18 Th -","- C12 H16 N8 O18 Th -","- C24 H32 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0175","0.0151","","","0.0344","0.0352","","","","","","1.208","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248088","17.3812","0.0015","18.9121","0.0015","13.497","0.0011","90","","113.819","0.003","90","","4058.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N14 O24 Th -","- C30 H26 N14 O24 Th -","- C120 H104 N56 O96 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0164","0.0159","","","0.0409","0.0411","","","","","","1.122","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248089","11.1786","0.0009","18.1915","0.0015","16.9407","0.0014","90","","93.437","0.003","90","","3438.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N10 O21 Th -","- C21 H30 N10 O21 Th -","- C84 H120 N40 O84 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0273","0.0235","","","0.0539","0.0553","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248096","14.5892","0.0009","21.9646","0.0015","26.1741","0.0017","90","","90","","90","","8387.4","0.9","296.15","","296.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H55 Co3 N6 O57 W12 -","- C54 H44 Co3 N6 O52 W12 -","- C216 H176 Co12 N24 O208 W48 -","4","1","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.1123","0.0616","","","0.1243","0.1468","","","","","","1.014","","","","has coordinates,has disorder","290878","2024-04-04","23:03:43",""
"7248097","13.0872","0.0006","13.6972","0.0007","19.4602","0.0009","95.412","0.001","106.144","0.001","93.091","0.001","3324.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H75 Cu N8 O95 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","1","0.5","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.0781","0.0454","","","0.1089","0.1223","","","","","","1.017","","","","has coordinates","290878","2024-04-04","23:03:44",""
"7248099","34.8261","0.0006","34.8261","0.0006","17.3791","0.0004","90","","90","","120","","18254.4","0.6","152.99","","152.99","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H31 Cu6 N6 O24 -","- C42 H31 Cu6 N6 O24 -","- C252 H186 Cu36 N36 O144 -","6","0.25","","Li, Hong-Xin; Zhang, Zong-Hui; Fang, Han; Guo, Xin-Ai; Du, Guo-Tong; Wang, Qin; Xue, Dong-Xu","A (4,6)-c copper–organic framework constructed from triazole-inserted dicarboxylate linker with CO2 selective adsorption","CrystEngComm","2024","26","9","1204","1208","10.1039/D3CE01217D","","","1.54178","CuKα","","0.1682","0.1401","","","0.408","0.4432","","","","","","1.79","","","","has coordinates,has disorder","290154","2024-03-04","20:09:52",""
"7248102","8.7171","0.0003","12.9296","0.0005","14.2643","0.0005","90","","90","","90","","1607.71","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-bis(4,5-diiodoimidazol-1-yl)butane","","- C10 H10 I4 N4 -","- C10 H10 I4 N4 -","- C40 H40 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0139","0.0134","","","0.0311","0.0313","","","","","","1.195","","","","has coordinates","290900","2024-04-04","23:09:59",""
"7248103","11.0164","0.0005","15.4161","0.0006","12.9223","0.0005","90","","103.359","0.002","90","","2135.21","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cu2 I6 N4 -","- C10 H10 Cu2 I6 N4 -","- C40 H40 Cu8 I24 N16 -","4","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0221","0.0195","","","0.0435","0.0447","","","","","","1.05","","","","has coordinates","290900","2024-04-04","23:10:00",""
"7248104","12.379","0.006","16.228","0.007","14.155","0.01","90","","107.332","0.016","90","","2714","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H20.5 Cl2 Co I4 N5.5 O1.5 -","- C10 H10 Cl2 Co I4 N4 -","- C40 H40 Cl8 Co4 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0378","0.0268","","","0.0561","0.0589","","","","","","1.04","","","","has coordinates,has disorder","290900","2024-04-04","23:10:01",""
"7248105","9.7501","0.0006","8.8976","0.0005","24.5696","0.0016","90","","90","","90","","2131.5","0.2","298.15","","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N9 O7 -","- C5 H5 N9 O7 -","- C40 H40 N72 O56 -","8","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0703","0.0429","","","0.0991","0.1107","","","","","","1.046","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248106","7.2532","0.0004","12.1486","0.0008","13.3337","0.0008","90","","104.28","0.002","90","","1138.61","0.12","181","","181","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N8 O8 -","- C5 H5 Cl N8 O8 -","- C20 H20 Cl4 N32 O32 -","4","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0476","0.0365","","","0.0887","0.0982","","","","","","1.04","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248111","14.52","0.0007","9.3992","0.0005","15.1096","0.0008","90","","112.583","0.002","90","","1903.99","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0928","0.0694","","","0.1599","0.173","","","","","","1.0789","","","","has coordinates","290881","2024-04-04","23:05:29",""
"7248112","14.4831","0.0018","9.3913","0.0009","15.0356","0.0019","90","","112.58","0.004","90","","1888.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1776","0.1189","","","0.3019","0.4517","","","","","","1.619","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248113","14.4915","0.0018","9.3952","0.0009","15.0402","0.0019","90","","112.575","0.004","90","","1890.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1787","0.1197","","","0.3027","0.4518","","","","","","1.6254","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248114","14.5114","0.0018","9.3994","0.0011","15.0586","0.0018","90","","112.506","0.004","90","","1897.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1548","0.1083","","","0.2779","0.4118","","","","","","1.5726","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248115","14.4807","0.0019","9.3916","0.001","15.0389","0.0019","90","","112.567","0.004","90","","1888.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.173","0.1119","","","0.2865","0.4333","","","","","","1.5304","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248116","14.4804","0.0019","9.3873","0.001","15.0373","0.0019","90","","112.596","0.004","90","","1887.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1708","0.1228","","","0.3134","0.4094","","","","","","1.5692","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248117","14.5277","0.0005","9.4021","0.0004","15.0821","0.0006","90","","112.559","0.001","90","","1902.45","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0964","0.0746","","","0.1557","0.1672","","","","","","1.0891","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248124","8.6215","0.0005","26.4188","0.0014","11.3368","0.0005","90","","101.383","0.002","90","","2531.4","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F6 N4 O8 P -","- C19 H27 F6 N4 O8 P -","- C76 H108 F24 N16 O32 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.0605","0.0408","","","0.0907","0.0984","","","","","","1.038","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248125","5.7747","0.0004","12.6277","0.001","28.442","0.002","90","","95.394","0.002","90","","2064.8","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F6 N4 O4 P -","- C19 H19 F6 N4 O4 P -","- C76 H76 F24 N16 O16 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.078","0.0457","","","0.1085","0.1237","","","","","","1.027","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248126","22.036","0.011","10.119","0.005","22.787","0.011","90","","90","","90","","5081","4","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 F6 N5 O4 P -","- C22 H24 F6 N5 O4 P -","- C176 H192 F48 N40 O32 P8 -","8","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.1386","0.0581","","","0.1323","0.1675","","","","","","1.015","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248131","16.589","0.002","8.8658","0.0011","8.1243","0.0011","90","","103.606","0.004","90","","1161.3","0.3","102","2","102","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0688","0.0555","","","0.1408","0.1489","","","","","","1.086","","","","has coordinates","290902","2024-04-04","23:10:13",""
"7248132","4.8347","0.0001","20.8619","0.0005","22.8684","0.0006","90","","90","","90","","2306.53","0.09","102","2","102","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0549","0.0463","","","0.1149","0.1206","","","","","","1.068","","","","has coordinates","290902","2024-04-04","23:10:14",""
"7248133","5.6513","0.0012","19.384","0.004","18.237","0.004","90","","98.331","0.008","90","","1976.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 Pb S2 -","- C20 H15 N5 Pb S2 -","- C80 H60 N20 Pb4 S8 -","4","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.1394","0.1221","","","0.2664","0.2754","","","","","","1.235","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248134","7.8039","0.0004","11.1545","0.0007","33.709","0.002","90","","90.944","0.002","90","","2933.9","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H9 N7 Pb S3 -","- C9 H9 N7 Pb S3 -","- C72 H72 N56 Pb8 S24 -","8","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0235","0.018","","","0.0337","0.0351","","","","","","1.035","","","","has coordinates,has disorder","290896","2024-04-04","23:09:02",""
"7248135","6.9411","0.0004","8.1607","0.0005","10.8395","0.0007","97.201","0.003","93.084","0.002","107.496","0.002","578.25","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 N7 Pb S2 -","- C7 H7 N7 Pb S2 -","- C14 H14 N14 Pb2 S4 -","2","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0289","0.0206","","","0.0313","0.0337","","","","","","1.054","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248136","9.1603","0.0007","11.1181","0.0008","11.9004","0.0009","90","","110.772","0.009","90","","1133.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","","Hussain, Mohammed Noorul; Van Meervelt, Luc; Van Gerven, Tom","Crystallization of para-aminobenzoic acid forms from specific solvents","CrystEngComm","2024","26","11","1647","1656","10.1039/D3CE01055D","","x-ray","0.71073","MoKα","","0.068","0.051","","","0.1402","0.1563","","","","","","1.039","","","","has coordinates","290901","2024-04-04","23:10:07",""
"7248137","8.8896","0.0001","4.3363","0.0001","17.221","0.0002","90","","90","","90","","663.835","0.019","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0644","0.0644","","","0.097","0.097","","","","1.91","1.91","1.91","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248138","8.824","0.0001","4.3415","0.0001","17.1357","0.0002","90","","90","","90","","656.458","0.019","25","","25","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0699","0.0699","","","0.1067","0.1067","","","","1.4","1.4","1.4","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248139","10.6395","0.0003","28.9664","0.0008","10.5656","0.0004","90","","114.341","0.001","90","","2966.74","0.16","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23.17 Cd N6 O4.58 -","- C35 H23.1666 Cd N6 O4.5833 -","- C140 H92.6664 Cd4 N24 O18.3332 -","4","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","","0.71073","MoKα","","0.0308","0.0279","","","0.0646","0.0669","","","","","","1.06","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248140","8.8685","0.0009","10.2782","0.0011","16.752","0.002","95.095","0.007","101.142","0.006","110.208","0.005","1385.8","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N6 O7 Zn -","- C31 H20 N6 O4 Zn -","- C62 H40 N12 O8 Zn2 -","2","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.1133","0.0967","","","0.2581","0.2755","","","","","","1.041","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248141","18.1361","0.0009","18.1361","0.0009","26.421","0.002","90","","90","","90","","8690.3","0.9","193","","193","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cd N10 O12 -","- C37 H22 Cd N8 O8 -","- C296 H176 Cd8 N64 O64 -","8","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.0381","0.0314","","","0.0795","0.0823","","","","","","1.034","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248144","17.8139","0.0006","12.4929","0.0004","19.4102","0.0007","90","","110.782","0.001","90","","4038.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Tb -","- C36 H24 Co N11 O15 Tb -","- C144 H96 Co4 N44 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0495","0.0316","","","0.0691","0.0763","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248145","27.417","0.002","13.0209","0.0012","27.138","0.002","90","","104.446","0.003","90","","9381.8","1.3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H27 Co N12 O15 Tb -","- C38 H27 Co N12 O15 Tb -","- C304 H216 Co8 N96 O120 Tb8 -","8","2","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1071","0.0836","","","0.196","0.2126","","","","","","1.179","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248146","12.6274","0.0009","17.4622","0.0013","21.5945","0.0016","90","","90","","90","","4761.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Tb -","- C42 H33 Co N14 O15 Tb -","- C168 H132 Co4 N56 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0337","0.0296","","","0.0727","0.0744","","","","","","1.075","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248147","17.794","0.0004","12.4847","0.0003","19.409","0.0004","90","","110.851","0.001","90","","4029.38","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co Dy N11 O15 -","- C36 H24 Co Dy N11 O15 -","- C144 H96 Co4 Dy4 N44 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0363","0.0273","","","0.0699","0.0741","","","","","","1.068","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248148","17.8105","0.0005","12.4596","0.0005","19.4286","0.0006","90","","110.544","0.001","90","","4037.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 O15 Y Zn -","- C36 H24 N11 O15 Y Zn -","- C144 H96 N44 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0827","0.0429","","","0.0683","0.0765","","","","","","1.08","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248149","17.7131","0.0004","12.4943","0.0003","19.302","0.0005","90","","110.611","0.001","90","","3998.35","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 Ni O15 Y -","- C36 H24 N11 Ni O15 Y -","- C144 H96 N44 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0691","0.0387","","","0.0868","0.0985","","","","","","1.002","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248150","17.7823","0.0006","12.4756","0.0004","19.4154","0.0007","90","","110.848","0.001","90","","4025.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Y -","- C36 H24 Co N11 O15 Y -","- C144 H96 Co4 N44 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0714","0.0398","","","0.0869","0.0998","","","","","","0.958","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248151","12.834","0.0006","17.5509","0.0009","21.6296","0.0012","90","","90","","90","","4872","0.4","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1107","0.0592","","","0.135","0.1592","","","","","","1.023","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248152","12.689","0.0007","17.3285","0.0008","21.5711","0.0009","90","","90","","90","","4743.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0683","0.042","","","0.0779","0.089","","","","","","1.04","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248153","12.6343","0.0003","17.4984","0.0004","21.6439","0.0005","90","","90","","90","","4785.03","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0344","0.0287","","","0.0664","0.0688","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248154","12.66","0.002","17.879","0.004","22.64","0.005","90","","90","","90","","5124.5","1.8","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 Ni O15 -","- C48 H32 La N13 Ni O15 -","- C192 H128 La4 N52 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1588","0.0472","","","0.1103","0.1608","","","","","","0.735","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248155","12.602","0.0005","17.3989","0.0007","21.5392","0.001","90","","90","","90","","4722.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Y -","- C42 H33 Co N14 O15 Y -","- C168 H132 Co4 N56 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0568","0.0463","","","0.0948","0.0984","","","","","","1.086","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248156","12.7677","0.0007","17.414","0.0008","21.6944","0.001","90","","90","","90","","4823.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0671","0.0397","","","0.0766","0.0878","","","","","","1.053","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248157","12.6828","0.0004","17.3643","0.0006","21.4063","0.0008","90","","90","","90","","4714.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0566","0.0387","","","0.0781","0.0842","","","","","","1.009","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248158","12.453","0.004","17.82","0.006","22.217","0.008","90","","90","","90","","4930","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 Nd O15 -","- C48 H32 Co N13 Nd O15 -","- C192 H128 Co4 N52 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1461","0.1429","","","0.3434","0.3452","","","","","","1.438","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248159","12.4662","0.0018","17.717","0.003","22.612","0.003","90","","90","","90","","4994.2","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 O15 Zn -","- C48 H32 La N13 O15 Zn -","- C192 H128 La4 N52 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.214","0.0938","","","0.2497","0.2816","","","","","","1.184","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248160","12.4224","0.0004","20.0351","0.0009","22.1111","0.001","90","","90","","90","","5503.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0604","0.0442","","","0.0917","0.0995","","","","","","0.856","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248161","12.5205","0.0004","20.2855","0.0005","22.2201","0.0006","90","","90","","90","","5643.6","0.3","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0346","0.0281","","","0.0503","0.0527","","","","","","1","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248162","12.5426","0.0018","20.322","0.004","22.424","0.004","90","","90","","90","","5715.7","1.7","340","2","340","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1233","0.0508","","","0.0912","0.1106","","","","","","0.858","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248163","12.4132","0.0007","20.1554","0.0012","22.077","0.0013","90","","90","","90","","5523.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 Nd O15 -","- C54 H41 Co N16 Nd O15 -","- C216 H164 Co4 N64 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0329","","","0.0588","0.0636","","","","","","1.082","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248164","12.4889","0.0008","20.1897","0.0013","21.9131","0.0017","90","","90","","90","","5525.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 O15 Zn -","- C54 H41 La N16 O15 Zn -","- C216 H164 La4 N64 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0488","0.0337","","","0.0568","0.0617","","","","","","0.997","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248165","12.6555","0.0006","17.9417","0.0008","22.6477","0.001","90","","90","","90","","5142.4","0.4","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1175","0.0499","","","0.0648","0.0791","","","","","","1.044","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248166","12.555","0.002","20.342","0.004","22.458","0.005","90","","90","","90","","5735.6","1.9","360","2","360","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1527","0.0572","","","0.106","0.1285","","","","","","0.909","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248167","12.5969","0.0005","17.4194","0.0007","21.5508","0.0009","90","","90","","90","","4728.9","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0487","0.0365","","","0.0791","0.0883","","","","","","1.039","","","","has coordinates,has disorder","290903","2024-04-04","23:11:18",""
"7248168","12.5118","0.0016","20.32","0.003","22.341","0.003","90","","90","","90","","5680","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 Nd O15 -","- C54 H41 Co N16 Nd O15 -","- C216 H164 Co4 N64 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0622","0.0543","","","0.1105","0.1141","","","","","","0.95","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7248169","12.5614","0.0018","20.372","0.003","22.451","0.003","90","","90","","90","","5745.2","1.4","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1297","0.0972","","","0.2523","0.272","","","","","","1.201","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248170","12.6065","0.0014","17.994","0.0017","22.46","0.002","90","","90","","90","","5094.9","0.9","380","2","380","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 O15 Sm -","- C48 H32 Co N13 O15 Sm -","- C192 H128 Co4 N52 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1164","0.0823","","","0.2057","0.2288","","","","","","1.11","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248171","12.4723","0.0008","20.1964","0.001","22.0456","0.0011","90","","90","","90","","5553.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0478","0.0347","","","0.0588","0.0629","","","","","","1.022","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248172","12.4812","0.0007","20.2883","0.0013","22.2801","0.0015","90","","90","","90","","5641.8","0.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0345","0.0284","","","0.0615","0.0641","","","","","","1.029","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248173","12.4061","0.001","20.1133","0.0017","21.9689","0.0019","90","","90","","90","","5481.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0352","0.0324","","","0.0783","0.0799","","","","","","1.01","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248174","12.4652","0.0006","17.7628","0.0008","22.4407","0.001","90","","90","","90","","4968.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0348","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248175","8.112","0.001","8.112","0.001","4.9862","0.0006","90","","90","","120","","284.16","0.06","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Tricalcium Tantalum Trigallodisilicate","Langasite","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","1","0.166667","","Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke","Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method","CrystEngComm","2024","26","11","1550","1555","10.1039/D3CE01126G","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","290899","2024-04-04","23:09:52",""
"7248176","14.3117","0.0004","3.9776","0.0001","26.9681","0.0005","90","","104.512","0.002","90","","1486.21","0.06","299.63","0.1","299.63","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(E)-1,2-bis(2-pyridyl)ethene and pentachloroiodobenzene cocrystal","","- C24 H10 Cl10 I2 N2 -","- C24 H10 Cl10 I2 N2 -","- C48 H20 Cl20 I4 N4 -","2","0.5","","Andren, Max; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Achieving a series of solid-state [2 + 2] cycloaddition reactions involving 1,2-bis(2-pyridyl)ethylene within halogen-bonded co-crystals","CrystEngComm","2024","26","10","1349","1352","10.1039/D4CE00097H","","","1.54184","CuKα","","0.062","0.0539","","","0.1513","0.1583","","","","","","1.0324","","","","has coordinates","290876","2024-04-04","23:03:23",""
"7248187","11.142","0.0014","6.8138","0.0008","13.6024","0.0017","90","","102.714","0.004","90","","1007.4","0.2","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O6 -","- C11 H10 O6 -","- C44 H40 O24 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0756","0.0502","","","0.1095","0.1188","","","","","","1.067","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248188","12.0789","0.0003","10.0528","0.0002","8.6569","0.0002","90","","90","","90","","1051.18","0.04","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C44 H48 O28 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0709","0.0723","","","","","","1.092","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248189","6.568","0.0002","27.9778","0.0008","12.4818","0.0004","90","","92.584","0.003","90","","2291.3","0.12","295.5","0.2","295.5","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C88 H96 O56 -","8","2","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0733","0.0504","","","0.1278","0.1414","","","","","","1.091","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248190","10.7437","0.0012","6.9554","0.0007","12.3782","0.0014","90","","92.629","0.004","90","","924.01","0.17","298","2","298.03","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0365","0.035","","","0.0867","0.0878","","","","","","1.097","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248191","7.1276","0.0008","7.5031","0.0008","11.3065","0.0013","98.614","0.006","105.39","0.007","105.364","0.007","546.17","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O8 -","- C11 H12 O8 -","- C22 H24 O16 -","2","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.1111","0.0797","","","0.2047","0.2305","","","","","","1.128","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248192","13.0318","0.0013","7.7973","0.0008","9.8712","0.001","90","","106.032","0.003","90","","964.03","0.17","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0754","0.074","","","0.1912","0.1944","","","","","","1.081","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248193","8.7186","0.0002","11.5384","0.0003","8.1605","0.0002","90","","93.994","0.001","90","","818.94","0.03","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H K N6 O6 -","- C3 H K N6 O6 -","- C12 H4 K4 N24 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0231","0.0222","","","0.0596","0.0602","","","","","","1.034","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248194","17.215","0.002","6.5819","0.0007","13.6351","0.0018","90","","107.543","0.004","90","","1473.1","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H14 N14 O6 -","- C5 H14 N14 O6 -","- C20 H56 N56 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0564","0.0436","","","0.1094","0.1206","","","","","","1.03","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248195","13.6418","0.0005","9.7046","0.0003","8.1716","0.0003","90","","102.117","0.001","90","","1057.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N10 O6 -","- C3 H10 N10 O6 -","- C12 H40 N40 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0478","0.0356","","","0.0811","0.0889","","","","","","1.092","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248196","5.926","0.0012","22.325","0.005","22.507","0.005","90","","90","","90","","2977.6","1.1","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-dichloro-9H-carbazole","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C144 H84 Cl24 N12 -","12","3","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0429","0.0414","","","0.1154","0.1165","","","","","","1.09","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248197","4.176","0.0008","11.111","0.002","12.236","0.003","90","","93.14","0.03","90","","566.9","0.2","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-diiodo-9H-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C24 H14 I4 N2 -","2","1","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.63","synchrotron","","0.0534","0.0531","","","0.1386","0.1389","","","","","","1.144","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248198","6.01","0.0012","23.086","0.005","15.133","0.003","90","","90.8","0.03","90","","2099.5","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dibromo-9H-carbazole","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C96 H56 Br16 N8 -","8","2","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0658","0.0618","","","0.1719","0.1752","","","","","","1.077","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248204","11.7879","0.0006","15.0748","0.0009","11.0619","0.0007","90","","90","","90","","1965.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","0.5","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0565","0.0428","","","0.1152","0.1356","","","","","","1.11","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248205","8.8355","0.0006","18.3846","0.0011","13.1961","0.0008","90","","90.21","0.002","90","","2143.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br2 N3 Zn -","- C22 H15 Br2 N3 Zn -","- C88 H60 Br8 N12 Zn4 -","4","1","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0897","0.0707","","","0.1938","0.215","","","","","","1.079","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248206","5.0509","0.0005","12.397","0.0014","22.448","0.002","90","","93.489","0.008","90","","1403","0.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Allu, Suryanarayana; Nath, Naba K.","The photomechanical bending and photosalient effect of flexible crystals of an acylhydrazone","CrystEngComm","2024","26","12","1671","1676","10.1039/D3CE01321A","","","0.71073","MoKα","","0.1341","0.0688","","","0.1535","0.1887","","","","","","1.0255","","","","has coordinates","290905","2024-04-04","23:11:46",""
"7248214","9.0027","0.0003","7.527","0.0002","9.0306","0.0004","90","","114.109","0.005","90","","558.56","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H12 Cl3 Fe N2 O6 -","- C2 H12 Cl3 Fe N2 O6 -","- C4 H24 Cl6 Fe2 N4 O12 -","2","0.5","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0831","0.079","","","","0.2251","","","","","","1.149","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248215","7.488","0.0003","8.597","0.0004","9.896","0.0003","90.603","0.003","99.679","0.003","95.105","0.003","625.28","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl2 Fe N O5 -","- C6 H14 Cl2 Fe N O5 -","- C12 H28 Cl4 Fe2 N2 O10 -","2","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0696","0.0621","","","","0.2126","","","","","","1.448","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248216","11.2146","0.0005","8.5542","0.0003","15.9856","0.0007","90","","109.469","0.004","90","","1445.85","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0807","0.0733","","","","0.1934","","","","","","1.021","","","","has coordinates,has disorder","290888","2024-04-04","23:07:19",""
"7248217","11.2283","0.0016","8.6109","0.0009","16.306","0.003","90","","109.46","0.019","90","","1486.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.2281","0.153","","","","0.4212","","","","","","1.212","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248218","34.238","0.002","16.0211","0.0009","33.7881","0.0017","90","","91.078","0.001","90","","18530.5","1.8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H93 Fe3 N12 O24 -","- C57 H37 Fe3 N4 O16 -","- C456 H296 Fe24 N32 O128 -","8","1","","Wang, Hao; Shi, Le; Cao, Honghao; Xiong, Zhangyi; Ma, Si; Pan, Jun; Chen, Zhijie","Synthesis of an iron-based metal–organic framework with octahedral cages for the selective capture of sulfur hexafluoride","CrystEngComm","2024","26","13","1912","1916","10.1039/D4CE00041B","","","0.71073","MoKα","","0.0814","0.0673","","","0.1948","0.2118","","","","","","1.029","","","","has coordinates","290889","2024-04-04","23:07:31",""
"7248219","13.9706","0.00016","26.3924","0.0003","19.9773","0.0003","90","","90","","90","","7365.98","0.16","100","0.1","100","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Caff-Py","","","- C34 H43 N8 O15.5 -","- C34 H43 N8 O15.5 -","- C272 H344 N64 O124 -","8","1","","Molajafari, Fateme; Li, Tianrui; Abbasichaleshtori, Mehrnaz; Hajian Z. D., Moein; Cozzolino, Anthony F.; Fandrick, Daniel R.; Howe, Joshua D.","Computational screening for prediction of co-crystals: method comparison and experimental validation","CrystEngComm","2024","26","11","1620","1636","10.1039/D3CE01252B","","x-ray","1.54184","CuKα","","0.0553","0.0433","","","0.1127","0.1203","","","","","","1.033","","","","has coordinates","290895","2024-04-04","23:08:54",""
"7248221","14.2663","0.0004","20.3743","0.0006","22.7754","0.0005","90","","97.175","0.001","90","","6568.2","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C236 H248 Ag8 Mo16 N8 O56 P16 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0434","0.0295","","","0.0695","0.0762","","","","","","1.044","","","","has coordinates,has disorder","290887","2024-04-04","23:07:03",""
"7248222","11.6266","0.001","12.7787","0.0012","13.669","0.0013","109.407","0.003","96.054","0.003","115.217","0.003","1658.7","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.028","0.0238","","","0.0668","0.0762","","","","","","1.165","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248223","15.7042","0.001","22.4607","0.0016","20.2442","0.0015","90","","102.668","0.002","90","","6966.9","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H104 Ag4 O40 P9 W12 -","- C108 H104 Ag4 O40 P9 W12 -","- C216 H208 Ag8 O80 P18 W24 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0984","0.0656","","","0.1911","0.2166","","","","","","1.04","","","","has coordinates,has disorder","290887","2024-04-04","23:07:04",""
"7248224","14.0626","0.0004","14.8889","0.0003","27.6698","0.0007","100.653","0.001","93.37","0.002","109.707","0.001","5314","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","1.54178","CuKα","","0.1021","0.0666","","","0.1547","0.1778","","","","","","1.033","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248225","21.798","0.0012","6.3399","0.0005","16.8128","0.001","90","","90.723","0.006","90","","2323.3","0.3","250","0.1","250","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoic acid, dimethylsufoxide solvate","","- C42 H40 O10 S10 -","- C42 H40 O10 S10 -","- C84 H80 O20 S20 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.079","0.0582","","","0.155","0.1759","","","","","","1.029","","","","has coordinates,has disorder","291597","2024-05-05","02:19:06",""
"7248226","19.081","0.003","31.525","0.006","20.06","0.002","90","","104.324","0.015","90","","11692","3","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(water)-di-copper(ii)]4, dimethylformamide solvate","","- C155.9 H101.1 Cu8 N1.3 O41.3 S32 -","- C155.48 H99.5 Cu8 N1.16 O41.16 S32 -","- C310.96 H199 Cu16 N2.32 O82.32 S64 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1717","0.146","","","0.3817","0.4082","","","","","","1.43","","","","has coordinates,has disorder","291597","2024-05-05","02:19:09",""
"7248227","22.1127","0.0006","23.7586","0.0006","23.85","0.0005","95.728","0.002","94.436","0.002","102.342","0.002","12116.4","0.5","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","copper(II)8-[mu-tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(dimethylacetamide/water), dimethylacetamide solvate","","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C387.84 H388.64 Cu16 N20.96 O88.96 S64 -","2","1","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1269","0.1013","","","0.2782","0.3175","","","","","","1.069","","","","has coordinates,has disorder","291597","2024-05-05","02:19:10",""
"7248228","12.166","0.002","9.4954","0.0019","29.213","0.006","90","","97.081","0.005","90","","3349","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N8 O6 Zn -","- C34 H36 N8 O6 Zn -","- C136 H144 N32 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0314","0.0274","","","0.0648","0.0685","","","","","","1.058","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248229","10.887","0.002","13.685","0.003","16.805","0.004","90","","99.712","0.006","90","","2467.9","0.9","105","2","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N5 O6 Zn -","- C24 H27 N5 O6 Zn -","- C96 H108 N20 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0957","0.0703","","","0.1486","0.1721","","","","","","1.075","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248230","8.5917","0.0006","9.9828","0.0006","15.1695","0.001","90","","92.225","0.002","90","","1300.1","0.15","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0784","0.0619","","","0.1158","0.1254","","","","","","1.166","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248231","16.0036","0.001","9.549","0.0006","27.2906","0.0017","90","","100.52","0.002","90","","4100.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O9 Zn -","- C38 H50 N8 O9 Zn -","- C152 H200 N32 O36 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.1068","0.0573","","","0.1106","0.138","","","","","","1.08","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248235","7.0073","0.0008","11.8847","0.0012","15.9967","0.0017","90","","101.95","0.004","90","","1303.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl2 N4 O2 Tc -","- C9 H11 Cl2 N4 O2 Tc -","- C36 H44 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0591","0.0363","","","0.0712","0.0784","","","","","","1.029","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248236","8.0605","0.0006","33.63","0.003","12.0796","0.0009","90","","108.857","0.003","90","","3098.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl2 N4 O2 Tc -","- C11 H15 Cl2 N4 O2 Tc -","- C88 H120 Cl16 N32 O16 Tc8 -","8","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0787","0.0461","","","0.0833","0.0956","","","","","","1.017","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248237","9.0399","0.0005","14.145","0.0008","14.986","0.0008","69.993","0.002","84.129","0.002","83.815","0.002","1785.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl2 N4 O2 Tc -","- C14 H21 Cl2 N4 O2 Tc -","- C56 H84 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0572","0.0407","","","0.0814","0.0886","","","","","","1.037","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248238","11.6629","0.0006","9.0674","0.0005","14.0443","0.0007","90","","105.197","0.002","90","","1433.28","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl2 N4 O2 Tc -","- C10 H13 Cl2 N4 O2 Tc -","- C40 H52 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.031","0.0228","","","0.0456","0.0488","","","","","","1.022","","","","has coordinates,has disorder","290904","2024-04-04","23:11:34",""
"7248239","14.089","0.002","9.1069","0.0015","16.009","0.003","90","","113.149","0.006","90","","1888.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl2 N4 O2 Tc -","- C15 H23 Cl2 N4 O2 Tc -","- C60 H92 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1658","0.0614","","","0.1111","0.1478","","","","","","0.965","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248240","6.8651","0.0006","7.6286","0.0007","19.7846","0.0018","86.031","0.003","89.719","0.004","72.288","0.004","984.52","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl2 N4 O2 Tc -","- C16 H25 Cl2 N4 O2 Tc -","- C32 H50 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0748","0.0466","","","0.0799","0.0886","","","","","","0.984","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248241","6.8766","0.0004","7.6359","0.0005","21.635","0.0013","92.223","0.002","94.493","0.002","107.672","0.002","1076.75","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl2 N4 O2 Tc -","- C18 H29 Cl2 N4 O2 Tc -","- C36 H58 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0496","0.0346","","","0.0608","0.0654","","","","","","1.033","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248242","14.0797","0.001","8.8218","0.0006","14.5189","0.0009","90","","109.072","0.002","90","","1704.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 N4 O2 Tc -","- C13 H19 Cl2 N4 O2 Tc -","- C52 H76 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0539","0.0321","","","0.0561","0.0628","","","","","","1.006","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248243","9.0647","0.0011","12.8136","0.0015","14.4134","0.0017","74.521","0.005","82.598","0.006","83.057","0.005","1593.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl2 N4 O2 Tc -","- C12 H17 Cl2 N4 O2 Tc -","- C48 H68 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1207","0.0633","","","0.1015","0.1238","","","","","","0.949","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248244","9.612","0.004","10.482","0.004","21.517","0.008","101.141","0.017","99.638","0.016","90.665","0.016","2094.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 Cl2 N4 O2 Tc -","- C17 H27 Cl2 N4 O2 Tc -","- C68 H108 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.2912","0.0925","","","0.1586","0.2352","","","","","","0.935","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248245","36.623","0.006","8.325","0.002","10.0606","0.0014","90","","97.746","0.013","90","","3039.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","x-ray","0.71073","synchrotron","","0.1314","0.0626","","","0.0969","0.1206","","","","","","0.981","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248246","36.466","0.007","8.2745","0.0015","10.0269","0.0018","90","","97.792","0.003","90","","2997.6","1","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","","0.71073","MoKα","","0.0799","0.0469","","","0.1139","0.1312","","","","","","1.03","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248247","18.3042","0.0002","18.3042","0.0002","18.3042","0.0002","90","","90","","90","","6132.71","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.081","0.0701","","","0.1848","0.1952","","","","","","1.042","","","","has coordinates","291598","2024-05-05","02:20:09",""
"7248248","11.5467","0.0012","17.9284","0.0018","19.841","0.002","90","","90","","90","","4107.4","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Cl Cu N6 O4 -","- C39 H48 Cl Cu N6 O4 -","- C156 H192 Cl4 Cu4 N24 O16 -","4","1","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.1529","0.1241","","","0.3243","0.3559","","","","","","1.055","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248249","18.0217","0.0003","18.0217","0.0003","18.0217","0.0003","90","","90","","90","","5853.12","0.17","250","2","250","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0481","0.039","","","0.0949","0.0989","","","","","","1.043","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248250","18.231","0.0002","18.231","0.0002","18.231","0.0002","90","","90","","90","","6059.43","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H80.0001 Cl Cu N6 O7 -","- C252 H320 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0776","0.0723","","","0.1995","0.2056","","","","","","1.086","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248251","18.0116","0.0002","18.0116","0.0002","18.0116","0.0002","90","","90","","90","","5843.28","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0753","0.0727","","","0.2028","0.2069","","","","","","1.048","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248252","17.9422","0.0004","17.9422","0.0004","17.9422","0.0004","90","","90","","90","","5776","0.2","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0385","0.0339","","","0.0874","0.0903","","","","","","1.058","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248253","18.2489","0.0002","18.2489","0.0002","18.2489","0.0002","90","","90","","90","","6077.29","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0805","0.0775","","","0.2099","0.2135","","","","","","1.075","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248254","18.0076","0.0003","18.0076","0.0003","18.0076","0.0003","90","","90","","90","","5839.39","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0717","0.0698","","","0.1912","0.194","","","","","","1.051","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248255","18.2443","0.0003","18.2443","0.0003","18.2443","0.0003","90","","90","","90","","6072.7","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0786","0.076","","","0.2049","0.2082","","","","","","1.069","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248256","14.2868","0.0002","14.2868","0.0002","24.4236","0.0008","90","","90","","90","","4985.17","0.19","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C168 H216 Mo10.8 N24 Re13.2 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0301","0.0189","","","0.0363","0.039","","","","","","1.06","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248257","9.3333","0.0002","10.552","0.0002","11.8701","0.0002","114.453","0.001","91.101","0.001","108.996","0.001","989.99","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0324","0.0274","","","0.0493","0.0515","","","","","","1.023","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248258","9.3362","0.0008","10.5758","0.0008","11.8771","0.0009","114.524","0.002","91.007","0.003","109.1","0.003","992.01","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo3 N6 Re3 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0239","0.0217","","","0.0479","0.0488","","","","","","1.059","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248259","9.3458","0.0004","10.5903","0.0004","11.8441","0.0005","114.432","0.001","90.749","0.001","109.192","0.001","992.72","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2.65 N6 Re3.35 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.024","0.0195","","","0.0402","0.0418","","","","","","1.044","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248260","14.2677","0.0011","14.2677","0.0011","24.473","0.004","90","","90","","90","","4981.9","1","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo3 N6 Re3 S8 -","- C42 H54 Mo2.9998 N6 Re3.0002 S8 -","- C168 H216 Mo11.9992 N24 Re12.0008 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0417","0.0245","","","0.0456","0.0516","","","","","","1.033","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248261","26.7541","0.0006","26.7541","0.0006","9.3946","0.0003","90","","90","","90","","6724.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C216 H312 Mo10.8 N24 Re13.2 S32 -","4","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0473","0.0369","","","0.066","0.0691","","","","","","1.161","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248262","14.3459","0.0011","15.5318","0.0013","18.3357","0.0014","105.271","0.003","103.906","0.003","100.383","0.003","3694.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.17 H85.75 Mo3 N8.59 Re3 S8 -","- C59.168 H85.752 Mo3 N8.584 Re3 S8 -","- C118.336 H171.504 Mo6 N17.168 Re6 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.065","0.0408","","","0.0825","0.0939","","","","","","1.045","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248263","14.3716","0.0004","15.5898","0.0004","18.3061","0.0005","105.324","0.001","104.101","0.001","100.184","0.001","3706.74","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.19 H85.79 Mo2 N8.6 Re4 S8 -","- C59.188 H85.782 Mo2 N8.594 Re4 S8 -","- C118.376 H171.564 Mo4 N17.188 Re8 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0339","0.0272","","","0.058","0.0605","","","","","","1.027","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248264","14.2615","0.0004","14.2615","0.0004","24.4091","0.001","90","","90","","90","","4964.6","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2 N6 Re4 S8 -","- C42 H54 Mo2 N6 Re4 S8 -","- C168 H216 Mo8 N24 Re16 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0414","0.0218","","","0.04","0.0445","","","","","","1.055","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248265","33.21","0.05","10.16","0.013","16.17","0.02","90","","112.22","0.03","90","","5051","12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H68 N8 O8 -","- C46 H68 N8 O8 -","- C184 H272 N32 O32 -","4","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2183","0.1038","","","0.2341","0.3234","","","","","","0.926","","","","has coordinates","290049","2024-03-04","03:30:22",""
"7248266","14.637","0.008","19.378","0.009","16.197","0.007","90","","104.947","0.016","90","","4439","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H120 N12 O13 -","- C65 H120 N12 O13 -","- C130 H240 N24 O26 -","2","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.0876","0.0531","","","0.1158","0.1277","","","","","","1.014","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248267","17.73","0.1","10.52","0.06","28.85","0.16","90","","99.42","0.08","90","","5309","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H72 N8 O8 -","- C45 H72 N8 O8 -","- C180 H288 N32 O32 -","4","2","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2139","0.107","","","0.2415","0.2902","","","","","","1.026","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248268","6.9783","0.0011","7.2131","0.0011","16.191","0.003","89.097","0.002","87.703","0.002","67.944","0.002","754.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C34 H22 N2 O8 -","2","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.0896","0.0572","","","0.188","0.2046","","","","","","1.057","","","","has coordinates","290050","2024-03-04","03:31:28",""
"7248269","23.861","0.002","12.381","0.0011","17.8166","0.0017","90","","112.927","0.002","90","","4847.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N4 O4 Zn -","- C27 H20 N4 O4 Zn -","- C216 H160 N32 O32 Zn8 -","8","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.1412","0.0541","","","0.1091","0.1371","","","","","","0.998","","","","has coordinates,has disorder","290050","2024-03-04","03:31:29",""
"7248270","8.8359","0.0015","9.5857","0.0018","10.325","0.002","90.933","0.007","92.085","0.007","107.286","0.006","834.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl2 N5 O2 Pb -","- C13 H15 Cl2 N5 O2 Pb -","- C26 H30 Cl4 N10 O4 Pb2 -","2","1","","Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Labisbal, Elena; Castiñeiras, Alfonso; Eftekhari-Sis, Bagher; Mahmoudi, Ghodrat; Sagan, Filip; Mitoraj, Mariusz P.; Safin, Damir A.","An extended supramolecular coordination compound produced from PbCl2 and N′-isonicotinoylpicolinohydrazonamide","CrystEngComm","2024","26","9","1252","1260","10.1039/D3CE01066J","","","0.71073","MoKα","","0.0155","0.0134","","","0.027","0.0275","","","","","","1.052","","","","has coordinates","290051","2024-03-04","03:31:48",""
"7248272","12.4249","0.0018","11.7971","0.0018","24.951","0.004","90","","95.752","0.003","90","","3638.8","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","trans-alpha, alpha, alpha',alpha'-tetraphenyl-9,10-dihydro-9,10-ethano-anthracene-11,12-dimethanol 1,2-dichlorobenzene clathrate","","- C48 H38 Cl2 O2 -","- C48 H38 Cl2 O2 -","- C192 H152 Cl8 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0799","0.0577","","","0.151","0.1722","","","","","","1.02","","","","has coordinates","290884","2024-04-04","23:06:19",""
"7248273","23.236","0.001","15.6145","0.0008","24.0913","0.001","90","","115.807","0.003","90","","7869","0.7","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","trans- α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C48 H34 Cl6 O2 -","- C48 H34 Cl6 O2 -","- C384 H272 Cl48 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0616","0.045","","","0.1082","0.1205","","","","","","1.048","","","","has coordinates","290884","2024-04-04","23:06:20",""
"7248274","23.2834","0.0009","23.2834","0.0009","12.4263","0.0006","90","","90","","90","","6736.5","0.5","296","2","296","2","","","","","","","","4","I -4","I -4","82","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C44 H35.33 Cl0.67 O2 -","- C43.9998 H35.3332 Cl0.6666 O2 -","- C351.998 H282.666 Cl5.3328 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0804","0.0566","","","0.1569","0.1771","","","","","","1.038","","","","has coordinates,has disorder","290884","2024-04-04","23:06:20",""
"7248275","9.4279","0.0002","9.4279","0.0002","25.1636","0.0007","90","","90","","90","","2236.67","0.09","150","","150","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0274","0.0226","","","0.0378","0.039","","","","","","1.048","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248276","13.6493","0.0011","10.0133","0.0006","18.0921","0.0014","90","","111.399","0.004","90","","2302.3","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0418","0.0303","","","0.0546","0.0578","","","","","","1.029","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248277","12.6722","0.0002","9.9937","0.0002","17.2207","0.0003","90","","102.588","0.001","90","","2128.44","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Cl6 I2 N2 Te -","- C5.9997 H19.999 Cl6 I2 N1.9999 Te -","- C23.9988 H79.996 Cl24 I8 N7.9996 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0398","0.028","","","0.0549","0.0586","","","","","","1.038","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248278","17.8598","0.0011","7.4112","0.0005","17.6492","0.0011","90","","100.334","0.002","90","","2298.2","0.3","150","2","150","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","x-ray","0.71073","MoKα","","0.0526","0.0313","","","0.0498","0.055","","","","","","1.04","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248279","16.9466","0.0009","9.6814","0.0005","13.3524","0.0007","90","","108.691","0.002","90","","2075.15","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl6 I2 N2 Te -","- C10 H12 Cl6 I2 N2 Te -","- C40 H48 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0376","0.0249","","","0.0431","0.0454","","","","","","1.044","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248281","20.9615","0.0011","20.9615","0.0011","7.8858","0.0005","90","","90","","120","","3000.7","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","ETHYL MALTOL","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0349","0.0328","","","0.0893","0.0911","","","","","","1.062","","","","has coordinates","290885","2024-04-04","23:06:40",""
"7248282","4.8597","0.0007","6.8797","0.001","20.17","0.003","90","","95.2","0.004","90","","671.57","0.17","296","2","296","2","","","","","","","solution crystallization method","3","P 1 21/n 1","-P 2yn","14","ETHYL MALTOL","2ETHYL 3HYDROXY4PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.1785","0.0746","","","0.1173","0.1414","","","","","","1.067","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248283","7.1414","0.0008","7.6229","0.0008","7.6784","0.0008","62.162","0.003","68.379","0.003","76.408","0.003","342.61","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","ETHYL MALTOL","2-ETHYL-3-HYDROXY-4-PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0647","0.0468","","","0.1161","0.1248","","","","","","1.09","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248288","28.3208","0.0013","39.2416","0.0017","16.2646","0.0006","90","","90","","90","","18075.7","1.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C288 H248 Dy16 O160 -","- C288 H248 Dy16 O160 -","- C576 H496 Dy32 O320 -","2","0.125","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0288","0.0259","","","0.0665","0.0684","","","","","","1.058","","","","has coordinates,has disorder","290890","2024-04-04","23:07:44",""
"7248289","10.0739","0.0005","10.1946","0.0005","12.6937","0.0006","76.507","0.001","86.196","0.002","71.856","0.001","1204.59","0.1","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 Eu O13 -","- C24 H21 Eu O13 -","- C48 H42 Eu2 O26 -","2","1","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0653","0.0409","","","0.0596","0.0656","","","","","","1.073","","","","has coordinates","290890","2024-04-04","23:07:44",""
"7248291","7.455","0.003","7.934","0.003","8.27","0.003","85.443","0.012","76.787","0.011","74.123","0.011","458","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromofluorene","","- C23 H11 Br N4 -","- C23 H11 Br N4 -","- C23 H11 Br N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.1273","0.0927","","","0.1887","0.2044","","","","","","1.093","","","","has coordinates,has disorder","291596","2024-05-05","02:17:28",""
"7248292","7.1852","0.0005","7.8039","0.0006","7.9484","0.0006","73.766","0.003","83.955","0.002","88.769","0.003","425.52","0.05","170","","170","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Fluorene","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.068","0.0471","","","0.1153","0.1325","","","","","","1.058","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248293","8.0699","0.0019","9.282","0.002","12.323","0.003","79.161","0.008","78.504","0.009","84.709","0.008","887","0.4","160","","160","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromocarbazole","","- C22 H10 Br N5 -","- C22 H10 Br N5 -","- C44 H20 Br2 N10 -","2","1","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0634","0.0444","","","0.0933","0.1025","","","","","","1.034","","","","has coordinates","291596","2024-05-05","02:17:34",""
"7248294","7.03","0.0005","7.8302","0.0006","7.8567","0.0007","73.722","0.003","88.51","0.003","84.102","0.003","412.95","0.06","100","","100","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Carbazole","","- C22 H11 N5 -","- C22 H11 N5 -","- C22 H11 N5 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0905","0.0646","","","0.1525","0.1677","","","","","","1.123","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248298","9.1124","0.0003","11.7634","0.0004","25.2509","0.0009","90","","92.117","0.003","90","","2704.87","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl F N4 O6 -","- C29 H29 Cl F N4 O6 -","- C116 H116 Cl4 F4 N16 O24 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0453","0.044","","","0.1231","0.1254","","","","","","1.059","","","","has coordinates","291600","2024-05-05","02:21:39",""
"7248299","7.73274","0.00005","12.20698","0.0001","14.35665","0.00012","65.3898","0.0008","84.3011","0.0006","89.307","0.0006","1225.34","0.018","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H27 Cl F N4 O4.5 -","- C25.5 H27 Cl F N4 O4.5 -","- C51 H54 Cl2 F2 N8 O9 -","2","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0389","0.0386","","","0.09","0.0901","","","","","","1.022","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248300","10.83646","0.00005","26.10472","0.0001","10.91005","0.00005","90","","99.937","0.0004","90","","3039.97","0.02","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl F N4 O7 -","- C32 H34 Cl F N4 O7 -","- C128 H136 Cl4 F4 N16 O28 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0377","0.0363","","","0.101","0.1023","","","","","","1.039","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248301","7.3807","0.0001","22.4116","0.0002","23.002","0.0001","90","","95.195","0.001","90","","3789.21","0.06","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl F N8 O15 -","- C36 H32 Cl F N8 O15 -","- C144 H128 Cl4 F4 N32 O60 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0471","0.0415","","","0.1093","0.116","","","","","","1.05","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248302","14.4516","0.0001","18.0004","0.0001","26.7026","0.0002","90","","90","","90","","6946.27","0.08","301.92","0.14","301.92","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl2 F2 N8 O18 -","- C72 H72 Cl2 F2 N8 O18 -","- C288 H288 Cl8 F8 N32 O72 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","x-ray","1.54184","CuKα","","0.0566","0.0518","","","0.1452","0.1499","","","","","","1.016","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248307","9.0389","0.0011","9.0389","0.0011","14.437","0.003","90","","90","","120","","1021.5","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Co I4 N6 -","- C6 H24 Ag2 Co I4 N6 -","- C12 H48 Ag4 Co2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0252","0.024","","","0.0545","0.0551","","","","","","1.273","","","","has coordinates","291593","2024-05-05","02:14:58",""
"7248308","9.0851","0.0011","9.0851","0.0011","14.411","0.003","90","","90","","120","","1030.1","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Fe I4 N6 -","- C6 H24 Ag2 Fe I4 N6 -","- C12 H48 Ag4 Fe2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0299","0.0235","","","0.0478","0.0501","","","","","","1.122","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248309","21.681","0.004","21.681","0.004","9.2216","0.0019","90","","90","","90","","4334.8","1.4","293","2","293","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H28 Ag2 Co I4 N6 O -","- C8 H8 Ag2 Co I4 N6 O -","- C32 H32 Ag8 Co4 I16 N24 O4 -","4","0.125","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.7107","MoKα","","0.0685","0.043","","","0.0938","0.1053","","","","","","1.085","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248310","7.1123","0.0002","12.6881","0.0003","13.3199","0.0003","88.7065","0.0017","87.275","0.002","82.989","0.002","1191.5","0.05","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","Niraparib tosylate monohydrate","","- C26 H30 N4 O5 S -","- C26 H30 N4 O5 S -","- C52 H60 N8 O10 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah","A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug","CrystEngComm","2024","26","19","2463","2473","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0955","0.0921","","","0.1954","0.1971","","","","","","1.109","","","","has coordinates,has disorder","292960","2024-07-05","15:27:08",""
"7248311","5.9287","0.0001","22.876","0.0004","10.8603","0.0002","90","","97.155","0.002","90","","1461.46","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Niraparib tosylate L-proline","","- C31 H37 N5 O6 S -","- C31 H37 N5 O6 S -","- C62 H74 N10 O12 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah","A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug","CrystEngComm","2024","26","19","2463","2473","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.092","0.0937","","","","","","1.05","","","","has coordinates","292960","2024-07-05","15:27:09",""
"7248314","13.32025","0.00013","13.32025","0.00013","31.8915","0.0006","90","","90","","90","","5658.48","0.13","297","2","297","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","R-Binol ; (R,R)-DADPE","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C272 H240 N16 O16 -","8","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.0449","0.0394","","","0.1066","0.1101","","","","","","1.089","","","","has coordinates,has disorder","291599","2024-05-05","02:20:59",""
"7248315","23.5398","0.0017","23.5398","0.0017","15.3506","0.0009","90","","90","","90","","8506.1","1","150","2","150","2","","","","","","","","4","I 4 2 2","I 4 2","97","R-Binol (R,R)-DADPE benzene solvate","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate","","- C50.27 H46.27 N2 O2 -","- C50.32 H46.32 N2 O2 -","- C402.56 H370.56 N16 O16 -","8","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.1477","0.1165","","","0.2486","0.2667","","","","","","1.248","","","","has coordinates,has disorder","291599","2024-05-05","02:21:02",""
"7248334","12.3533","0.0004","27.6883","0.0008","21.444","0.0007","90","","90","","90","","7334.7","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C86 H72 N12 Zn2 -","- C86 H72 N12 Zn2 -","- C344 H288 N48 Zn8 -","4","0.5","","Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli","Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands","CrystEngComm","2024","26","17","2259","2268","10.1039/D4CE00019F","","x-ray","0.71073","MoKα","","0.0879","0.0541","","","0.1256","0.1481","","","","","","1.021","","","","has coordinates","291590","2024-05-05","02:10:51",""
"7248340","11.2868","0.0011","11.2868","0.0011","27.13","0.002","90","","90","","120","","2993.1","0.5","288","2","288","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71073","MoKα","","0.2396","0.0859","","","0.1623","0.2175","","","","","","1.0392","","","","has coordinates","291591","2024-05-05","02:12:22",""
"7248341","11.239","0.004","11.239","0.004","27.0392","0.001","90","","90","","120","","2957.9","1.5","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14.25 H26 N2 O5.51 S -","- C14.254 H26 N2 O5.508 S -","- C85.524 H156 N12 O33.048 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71075","MoKα","","0.101","0.0525","","","0.1424","0.1886","","","","","","0.8487","","","","has coordinates,has disorder","291591","2024-05-05","02:12:28",""
"7248342","11.2333","0.0009","11.2333","0.0009","27.046","0.002","90","","90","","120","","2955.6","0.4","238","","238","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.2013","0.0815","","","0.1848","0.246","","","","","","0.9909","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248343","11.3887","0.0008","11.3887","0.0008","27.3424","0.0002","90","","90","","120","","3071.3","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1359","0.0754","","","0.1414","0.1646","","","","","","1.0308","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248344","11.4929","0.0007","11.4929","0.0007","27.9288","0.0018","90","","90","","120","","3194.8","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C17 H32 N2 O5 S -","- C17 H32 N2 O5 S -","- C102 H192 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1203","0.0732","","","0.1499","0.17","","","","","","1.0291","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248345","11.1876","0.0008","11.1876","0.0008","26.9537","0.0018","90","","90","","120","","2921.6","0.4","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1442","0.0774","","","0.1692","0.1984","","","","","","1.0289","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248346","11.663","0.0007","15.3457","0.0008","17.2204","0.001","73.515","0.002","81.274","0.003","82.823","0.003","2910.2","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1243","0.0851","","","0.228","0.2681","","","","","","1.084","","","","has coordinates,has disorder","291594","2024-05-05","02:15:30",""
"7248347","11.8077","0.001","15.022","0.0012","19.3471","0.0017","98.973","0.003","104.421","0.003","111.029","0.003","2985.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1867","0.0948","","","0.224","0.2974","","","","","","1.029","","","","has coordinates,has disorder","291594","2024-05-05","02:15:34",""
"7248348","22.7598","0.0007","26.3415","0.0009","31.6172","0.0011","94.269","0.002","93.768","0.001","90.135","0.001","18861.4","1.1","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C279 H346 N4 O54 Tb2 Ti13 -","- C279 H346 N4 O54 Tb2 Ti13 -","- C558 H692 N8 O108 Tb4 Ti26 -","2","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1221","0.0894","","","0.2237","0.2565","","","","","","1.042","","","","has coordinates","291592","2024-05-05","02:14:04",""
"7248349","30.9135","0.0011","13.8627","0.0005","29.9394","0.0011","90","","114.261","0.001","90","","11697.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H128 O24 Ti7 -","- C96 H128 O24 Ti7 -","- C384 H512 O96 Ti28 -","4","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1122","0.069","","","0.1891","0.2142","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:11",""
"7248350","59.769","0.0016","25.6869","0.0006","37.7482","0.001","90","","112.768","0.002","90","","53438","2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C185 H235 O42 Ti13 -","- C185 H235 O42 Ti13 -","- C1480 H1880 O336 Ti104 -","8","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1415","0.0897","","","0.257","0.2885","","","","","","1.117","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248351","22.916","0.0006","23.1929","0.0006","25.3092","0.0006","111.59","0.001","108.549","0.001","96.595","0.001","11440.4","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","1","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1073","0.0809","","","0.2205","0.2461","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248352","9.522","0.0015","10.5289","0.0015","13.8101","0.0019","90","","104.454","0.002","90","","1340.7","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Xia, Ying-Gui; Lan, Xue; Wang, Jun; Liu, Xiao-Hong; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav","A new Cd(ii)-based coordination polymer as a luminescent sensor and adsorbent for dichromate ions","CrystEngComm","2024","26","18","2353","2360","10.1039/D4CE00256C","","","0.71073","MoKα","","0.0603","0.0371","","","0.1053","0.1272","","","","","","0.838","","","","has coordinates","292974","2024-07-05","15:34:26",""
"7248357","9.7815","0.0008","13.1368","0.0015","18.8649","0.0002","102.042","0.007","104.779","0.006","105.238","0.009","2160.5","0.4","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.045","0.0434","","","0.1249","0.1265","","","","","","1.079","","","","has coordinates","291589","2024-05-05","02:10:14",""
"7248358","9.6943","0.0001","13.0554","0.0001","18.6809","0.0002","101.251","0.001","104.377","0.001","105.007","0.001","2125.44","0.04","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0634","0.0603","","","0.1748","0.1779","","","","","","1.044","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248359","15.5297","0.0001","19.398","0.0002","15.0582","0.0001","90","","99.942","0.001","90","","4468.09","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Cl3 Cu N2 O2 P2 -","- C48 H42 Cl3 Cu N2 O2 P2 -","- C192 H168 Cl12 Cu4 N8 O8 P8 -","4","1","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0691","0.0622","","","0.196","0.204","","","","","","1.062","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248365","11.33","0.005","15.692","0.007","25.45","0.011","90","","90","","90","","4525","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C160 H152 Co8 N56 O72 -","8","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively unsaturated 5-nitroisophthalate based cobalt(ii) coordination polymers: efficient catalytic CO2 fixation and Hantzsch condensation","CrystEngComm","2024","26","18","2421","2432","10.1039/D4CE00102H","","","0.71073","MoKα","","0.1293","0.1105","","","0.1952","0.2039","","","","","","1.4","","","","has coordinates","292976","2024-07-05","15:34:44",""
"7248366","9.076","0.0003","14.649","0.0005","16.6993","0.0006","90","","95.558","0.001","90","","2209.81","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co N7 O7 -","- C20 H15 Co N7 O7 -","- C80 H60 Co4 N28 O28 -","4","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively unsaturated 5-nitroisophthalate based cobalt(ii) coordination polymers: efficient catalytic CO2 fixation and Hantzsch condensation","CrystEngComm","2024","26","18","2421","2432","10.1039/D4CE00102H","","","0.71073","MoKα","","0.0927","0.0624","","","0.0908","0.1022","","","","","","1.186","","","","has coordinates","292976","2024-07-05","15:34:45",""
"7248367","13.7185","0.0018","7.2021","0.0009","8.8003","0.0012","90","","90","","90","","869.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Kupietz, Kamil; Gomila, Rosa M.; Roisnel, Thierry; Frontera, Antonio; Gramage-Doria, Rafael","Shortening CN⋯Br–Csp3 halogen bonds via π-stacking","CrystEngComm","2024","26","16","2131","2135","10.1039/D4CE00307A","","x-ray","0.71073","MoKα","","0.0316","0.0238","","","0.0523","0.0563","","","","","","1.045","","","","has coordinates","291595","2024-05-05","02:16:07",""
"7248377","5.424","0.0008","10.6544","0.0014","11.243","0.007","90","","101.4","0.03","90","","636.9","0.4","120.1","0.2","120.1","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H3 Cl3 N4 O5 -","- C9 H3 Cl3 N4 O5 -","- C18 H6 Cl6 N8 O10 -","2","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material","CrystEngComm","2024","26","19","2491","2497","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0463","0.0402","","","0.0687","0.0732","","","","","","0.998","","","","has coordinates","292958","2024-07-05","15:25:10",""
"7248378","6.8806","0.0004","14.1354","0.0008","10.3877","0.0005","90","","103.677","0.005","90","","981.66","0.09","116.7","0.9","116.7","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N5 O5 -","- C8 H5 N5 O5 -","- C32 H20 N20 O20 -","4","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material","CrystEngComm","2024","26","19","2491","2497","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0732","0.0476","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates","292958","2024-07-05","15:25:10",""
"7248384","16.08","0.003","14.472","0.003","37.326","0.008","90","","100.611","0.008","90","","8538","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H62 K2 Mn2 N12 O20 -","- C83 H62 K2 Mn2 N12 O20 -","- C332 H248 K8 Mn8 N48 O80 -","4","0.5","","Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","26","18","2346","2352","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1797","0.0737","","","0.1871","0.248","","","","","","1.026","","","","has coordinates,has disorder","292975","2024-07-05","15:34:37",""
"7248385","15.761","0.0011","14.5644","0.0009","36.558","0.003","90","","97.921","0.002","90","","8311.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H57 K2 N13 Ni2 O18 -","- C83 H57 K2 N13 Ni2 O18 -","- C332 H228 K8 N52 Ni8 O72 -","4","0.5","","Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","26","18","2346","2352","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1076","0.0642","","","0.1671","0.1879","","","","","","1.066","","","","has coordinates","292975","2024-07-05","15:34:37",""
"7248386","7.4377","0.0003","14.7657","0.0004","23.7592","0.0007","90","","93.154","0.003","90","","2605.35","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 S -","- C33 H26 N2 O3 S -","- C132 H104 N8 O12 S4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0513","0.0403","","","","0.119","","","","","","1.0803","","","","has coordinates","292973","2024-07-05","15:34:19",""
"7248387","8.0458","0.0005","13.1703","0.0009","14.8309","0.0013","74.204","0.007","74.975","0.006","86.981","0.005","1460.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 N2 O3 S -","- C39 H28 N2 O3 S -","- C78 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.074","0.0554","","","","0.136","","","","","","0.9788","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248388","15.948","0.0006","6.6074","0.0003","14.6479","0.0006","90","","90","","90","","1543.52","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","0.71073","MoKα","","0.0623","0.048","","","0.107","0.1198","","","","","","1.0901","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248389","15.5838","0.0015","6.6875","0.0006","18.8389","0.0019","90","","107.494","0.011","90","","1872.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0631","0.0432","","","0.1143","0.1357","","","","","","1.0493","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248390","10.5913","0.0007","11.8069","0.0007","12.2854","0.0007","103.279","0.005","103.085","0.005","96.474","0.005","1434.23","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O3 S -","- C37 H28 N2 O3 S -","- C74 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.052","0.0415","","","0.1079","0.1172","","","","","","1.0575","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248397","4.4917","0.0006","5.4314","0.0008","8.3789","0.0012","90","","90","","90","","204.41","0.05","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","1","0.125","","Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr","Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates","CrystEngComm","2024","26","19","2536","2543","10.1039/D4CE00091A","","","0.71073","MoKα","","0.0321","0.0288","","","0.0783","0.0838","","","","","","1.164","","","","has coordinates","292954","2024-07-05","15:23:33",""
"7248398","14.3876","0.0008","14.3876","0.0008","15.9256","0.001","90","","90","","120","","2855","0.3","296","2","296","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H40.5 Co3 Dy2 O39 -","- C24 H40.5 Co3 Dy2 O39 -","- C48 H81 Co6 Dy4 O78 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0603","0.0315","","","0.0909","0.1101","","","","","","1.103","","","","has coordinates,has disorder","292961","2024-07-05","15:28:28",""
"7248399","25.5971","0.0007","25.5971","0.0007","25.5971","0.0007","90","","90","","90","","16771.5","0.8","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H42 Co3 O39 Y2 -","- C24 H42 Co3 O39 Y2 -","- C384 H672 Co48 O624 Y32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0498","0.0332","","","0.0923","0.1094","","","","","","1.122","","","","has coordinates,has disorder","292961","2024-07-05","15:28:29",""
"7248400","25.8541","0.0005","25.8541","0.0005","25.8541","0.0005","90","","90","","90","","17281.8","0.6","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Eu2 O39 -","- C24 H30 Co3 Eu2 O39 -","- C384 H480 Co48 Eu32 O624 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0458","0.0336","","","0.0721","0.0802","","","","","","1.154","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248401","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1462","0.1574","","","","","","1.155","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248402","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248403","25.4349","0.0002","25.4349","0.0002","25.4349","0.0002","90","","90","","90","","16454.7","0.2","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Lu2 O38 -","- C24 H30 Co3 Lu2 O37.9998 -","- C384 H480 Co48 Lu32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0236","0.0213","","","0.0668","0.0682","","","","","","1.218","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248404","15.2306","0.0002","15.2306","0.0002","15.2343","0.0003","90","","90","","120","","3060.46","0.08","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Ce2 Co3 O40.5 -","- C24 H30 Ce2 Co3 O40.5 -","- C48 H60 Ce4 Co6 O81 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.032","0.0276","","","0.1031","0.1074","","","","","","1.011","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248405","15.2346","0.0003","15.2346","0.0003","15.2447","0.0003","90","","90","","120","","3064.16","0.1","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Pr2 -","- C24 H30 Co3 O40.5 Pr2 -","- C48 H60 Co6 O81 Pr4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.1291","0.1359","","","","","","1.076","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248406","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248407","14.5351","0.0009","14.5351","0.0009","15.8928","0.001","90","","90","","120","","2907.8","0.3","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Ho2 O40.5 -","- C24 H30 Co3 Ho2 O40.5 -","- C48 H60 Co6 Ho4 O81 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0417","0.0292","","","0.0863","0.0933","","","","","","1.056","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248408","25.5505","0.0008","25.5505","0.0008","25.5505","0.0008","90","","90","","90","","16680.1","0.9","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Ho2 O38 -","- C24 H30 Co3 Ho2 O37.9998 -","- C384 H480 Co48 Ho32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0359","0.0257","","","0.077","0.0859","","","","","","1.165","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248409","14.826","0.0005","14.826","0.0005","15.6527","0.0005","90","","90","","120","","2979.67","0.17","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Eu2 O37 -","- C24 H30 Co3 Eu2 O37.0002 -","- C48 H60 Co6 Eu4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0529","0.0355","","","0.0907","0.0974","","","","","","1.133","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248410","14.5233","0.0006","14.5233","0.0006","15.8044","0.0007","90","","90","","120","","2886.9","0.2","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Y2 -","- C24 H30 Co3 O40.5 Y2 -","- C48 H60 Co6 O81 Y4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","1.54184","CuKα","","0.0424","0.0399","","","0.1293","0.133","","","","","","1.124","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248411","25.4426","0.001","25.4426","0.001","25.4426","0.001","90","","90","","90","","16469.7","1.1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O38 Yb2 -","- C24 H30 Co3 O37.9998 Yb2 -","- C384 H480 Co48 O607.997 Yb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0536","0.0293","","","0.0879","0.1072","","","","","","1.074","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248412","25.6646","0.0011","25.6646","0.0011","25.6646","0.0011","90","","90","","90","","16904.5","1.3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Co3 O39 Tb2 -","- C24 H36 Co3 O39 Tb2 -","- C384 H576 Co48 O624 Tb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0473","0.0325","","","0.0732","0.08","","","","","","1.197","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248413","14.6496","0.0005","14.6496","0.0005","15.7485","0.0006","90","","90","","120","","2926.99","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Tb2 -","- C24 H36 Co3 O37.0002 Tb2 -","- C48 H72 Co6 O74.0004 Tb4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.059","0.0416","","","0.1066","0.1147","","","","","","1.163","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248414","25.4416","0.0009","25.4416","0.0009","25.4416","0.0009","90","","90","","90","","16467.7","1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O39 Tm2 -","- C24 H30 Co3 O39 Tm2 -","- C384 H480 Co48 O624 Tm32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0572","0.0327","","","0.0905","0.109","","","","","","1.152","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248415","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1463","0.1574","","","","","","1.156","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248436","8.7307","0.0003","16.6328","0.0007","9.6082","0.0004","90","","100.146","0.001","90","","1373.45","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N9 O Pb -","- C11 H9 N9 O Pb -","- C44 H36 N36 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0175","0.0144","","","0.0303","0.0311","","","","","","1.09","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248437","7.1869","0.0003","18.1539","0.0007","10.3088","0.0004","90","","97.142","0.002","90","","1334.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O3 Pb -","- C11 H9 N7 O3 Pb -","- C44 H36 N28 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0238","0.0199","","","0.0457","0.0473","","","","","","1.071","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248438","8.4135","0.0007","16.6666","0.0012","10.1721","0.0007","90","","95.905","0.002","90","","1418.81","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N7 O Pb S -","- C12 H9 N7 O Pb S -","- C48 H36 N28 O4 Pb4 S4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0293","0.0214","","","0.0422","0.0445","","","","","","1.032","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248439","7.1282","0.0003","16.9244","0.0006","12.1283","0.0005","90","","104.343","0.001","90","","1417.56","0.1","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O4 Pb -","- C11 H9 N7 O4 Pb -","- C44 H36 N28 O16 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0415","0.0341","","","0.0849","0.0883","","","","","","1.228","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248440","4.804","0.001","18.247","0.004","9.818","0.002","90","","104","0.03","90","","835.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(H2dobpdc)(GuaH)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C32 H40 N12 O12 -","2","0.5","","Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won","A highly stable hydrogen-bonded organic framework for hydrogen storage","CrystEngComm","2024","26","18","2342","2345","10.1039/D4CE00245H","","","0.7","","","0.0818","0.0806","","","0.2449","0.2481","","","","","","1.142","","","","has coordinates","292977","2024-07-05","15:34:50",""
"7248441","5.7433","0.0005","7.1269","0.0008","9.2269","0.0009","111.701","0.003","89.034","0.004","111.392","0.003","323.68","0.06","100","0.5","100","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0266","0.0259","","","0.0749","0.0757","","","","","","1.088","","","","has coordinates","292959","2024-07-05","15:26:46",""
"7248442","5.7891","0.0005","7.1855","0.0008","9.3","0.0009","111.813","0.003","89.307","0.004","111.525","0.003","330.64","0.06","200","0.5","200","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.029","0.028","","","0.0832","0.0848","","","","","","1.124","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248443","5.8708","0.0007","7.2213","0.0007","9.3736","0.0012","111.871","0.003","90.014","0.004","111.475","0.003","338.87","0.07","290","2","290","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0543","0.05","","","0.1375","0.1465","","","","","","1.147","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248444","5.7954","0.0003","7.1695","0.0003","9.3027","0.0005","111.803","0.0013","89.4664","0.0016","111.572","0.0015","330.1","0.03","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.037","0.0349","","","0.0974","0.1007","","","","","","1.147","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248445","5.7499","0.0003","7.1098","0.0003","9.2311","0.0005","111.689","0.0011","89.194","0.0014","111.435","0.0013","323.19","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0321","0.0309","","","0.0864","0.0885","","","","","","1.077","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248446","5.94","0.002","7.257","0.002","9.19","0.002","111.733","0.01","89.911","0.01","113.546","0.009","332.33","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0977","0.0872","","","0.2249","0.2401","","","","","","1.047","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248447","11.925","0.0015","8.2439","0.0011","17.812","0.003","90","","101.364","0.004","90","","1716.7","0.4","100","2","100","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0937","0.0886","","","0.1674","0.1698","","","","","","1.205","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248448","11.9439","0.0013","8.2503","0.0009","17.847","0.002","90","","101.343","0.003","90","","1724.3","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in moclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0784","0.0739","","","0.1461","0.1488","","","","","","1.185","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248449","5.267","0.0002","10.4832","0.0004","7.8148","0.0002","90","","90.8405","0.0013","90","","431.45","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0356","0.0341","","","0.0815","0.0828","","","","","","1.1","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248450","17.1772","0.001","6.2586","0.0002","13.1557","0.0007","90","","106.43","0.0015","90","","1356.56","0.12","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C40 F72 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.064","0.0501","","","0.1412","0.1741","","","","","","1.13","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248451","11.9467","0.0012","8.2518","0.0009","17.853","0.002","90","","101.341","0.003","90","","1725.6","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0782","0.0738","","","0.1425","0.1448","","","","","","1.19","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248452","8.2665","0.0007","10.5488","0.0007","11.9705","0.001","113.55","0.002","90.196","0.003","112.709","0.002","867.25","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0427","","","0.095","0.1009","","","","","","1.072","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248453","6.0143","0.0018","7.3233","0.0019","9.274","0.002","111.955","0.009","90.006","0.009","113.796","0.008","341.11","0.16","230","2","230","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0966","0.0744","","","0.1951","0.2282","","","","","","1.071","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248454","8.2634","0.0009","10.5357","0.0009","11.9616","0.0012","113.547","0.003","90.218","0.003","112.694","0.003","865.27","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0486","0.0411","","","0.0953","0.1028","","","","","","1.056","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248455","17.0062","0.0011","6.2091","0.0003","13.0007","0.0008","90","","105.502","0.0018","90","","1322.85","0.13","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C9.99 F17.982 -","- C39.96 F71.928 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.053","0.0444","","","0.1091","0.1217","","","","","","1.144","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248456","8.277","0.0004","10.5807","0.0004","11.9867","0.0005","113.506","0.0012","90.1279","0.0014","112.79","0.0012","872.11","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0495","0.0417","","","0.1011","0.1084","","","","","","1.046","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248457","8.2635","0.0009","10.5367","0.0009","11.9622","0.0012","113.553","0.003","90.215","0.003","112.692","0.003","865.38","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0423","","","0.0965","0.1025","","","","","","1.061","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248458","8.2665","0.0007","10.5475","0.0007","11.9704","0.0009","113.554","0.002","90.201","0.003","112.704","0.002","867.12","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0422","","","0.0946","0.1021","","","","","","1.079","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248459","8.2775","0.0004","10.5829","0.0004","11.9879","0.0005","113.506","0.0011","90.1124","0.0013","112.805","0.0012","872.36","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0505","0.0424","","","0.1036","0.1124","","","","","","1.066","","","","has coordinates,has disorder","292959","2024-07-05","15:26:48",""
"7248460","5.3191","0.0002","10.564","0.0004","7.858","0.0002","90","","90.7843","0.0014","90","","441.51","0.03","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0413","0.039","","","0.094","0.0963","","","","","","1.146","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248461","8.2602","0.0009","10.5243","0.0009","11.9532","0.0012","113.547","0.003","90.225","0.003","112.687","0.003","863.42","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0503","0.0423","","","0.0922","0.099","","","","","","1.053","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248462","11.9735","0.0007","8.2678","0.0005","17.9172","0.0012","90","","101.36","0.0017","90","","1738.95","0.19","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0549","0.0494","","","0.115","0.1198","","","","","","1.065","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248463","8.2823","0.0005","10.6037","0.0005","11.9909","0.0007","113.428","0.0016","90.0435","0.0019","112.888","0.0017","875.02","0.09","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0414","","","0.0978","0.1061","","","","","","1.027","","","","has coordinates,has disorder","292959","2024-07-05","15:26:48",""
"7248464","11.9376","0.0014","8.2488","0.001","17.833","0.002","90","","101.352","0.003","90","","1721.7","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.085","0.0806","","","0.1539","0.1561","","","","","","1.194","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248465","11.9334","0.0014","8.2466","0.001","17.828","0.002","90","","101.35","0.003","90","","1720.1","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0856","0.0816","","","0.159","0.1609","","","","","","1.198","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248466","11.9609","0.001","8.2593","0.0007","17.8832","0.0017","90","","101.342","0.002","90","","1732.2","0.3","132","2","132","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0675","0.0627","","","0.1283","0.1317","","","","","","1.17","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248467","11.9706","0.0008","8.2662","0.0006","17.9123","0.0013","90","","101.359","0.0018","90","","1737.7","0.2","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0561","0.0511","","","0.1157","0.1199","","","","","","1.089","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248468","8.2699","0.0007","10.5607","0.0007","11.9762","0.001","113.534","0.002","90.179","0.003","112.733","0.003","869","0.12","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0409","","","0.0937","0.1004","","","","","","1.044","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248469","8.2712","0.0006","10.5654","0.0005","11.9798","0.0008","113.539","0.0018","90.16","0.002","112.747","0.0018","869.69","0.1","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0406","","","0.0938","0.1003","","","","","","1.059","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248470","11.9553","0.0011","8.2563","0.0008","17.8738","0.0018","90","","101.343","0.003","90","","1729.8","0.3","130","2","130","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0688","0.0643","","","0.1311","0.1339","","","","","","1.168","","","","has coordinates","292959","2024-07-05","15:26:49",""
"7248471","11.9833","0.0005","8.277","0.0003","17.9669","0.0008","90","","101.402","0.001","90","","1746.89","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0459","0.0399","","","0.1014","0.1074","","","","","","1.056","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248472","11.984","0.0005","8.2774","0.0003","17.9659","0.0008","90","","101.4","0.001","90","","1746.99","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0462","0.041","","","0.0959","0.1004","","","","","","1.037","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248473","8.2827","0.0003","10.6032","0.0003","11.9913","0.0004","113.435","0.0008","90.043","0.0009","112.881","0.0008","875.04","0.05","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0422","","","0.0967","0.1043","","","","","","1.04","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248474","11.9843","0.0004","8.2804","0.0003","18.0191","0.0006","90","","101.469","0.001","90","","1752.42","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0469","0.0412","","","0.0992","0.1052","","","","","","1.043","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248475","8.2845","0.0003","10.6177","0.0003","11.989","0.0004","113.302","0.0008","90.0282","0.0009","112.879","0.0009","877.41","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0506","0.0408","","","0.1014","0.1112","","","","","","1.053","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248476","11.9832","0.0004","8.2803","0.0003","18.0209","0.0006","90","","101.473","0.001","90","","1752.39","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0461","0.0398","","","0.0993","0.1061","","","","","","1.045","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248477","8.2855","0.0003","10.6479","0.0003","11.9802","0.0004","112.957","0.001","90.018","0.001","112.818","0.001","882.64","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0604","0.0469","","","0.1125","0.1257","","","","","","1.038","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248478","8.2838","0.0003","10.6169","0.0003","11.9887","0.0004","113.31","0.0008","90.025","0.001","112.879","0.0009","877.19","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.051","0.042","","","0.1038","0.1137","","","","","","1.071","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248479","11.9781","0.0004","8.2808","0.0003","18.0841","0.0007","90","","101.568","0.001","90","","1757.29","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0484","0.0409","","","0.1037","0.1111","","","","","","1.048","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248480","8.2847","0.0003","10.6319","0.0003","11.9834","0.0004","113.132","0.0009","90.0204","0.001","112.854","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0565","0.045","","","0.1057","0.1164","","","","","","1.023","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248481","8.2852","0.0003","10.6314","0.0003","11.9844","0.0004","113.141","0.0009","90.0216","0.001","112.856","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0551","0.0442","","","0.1074","0.1194","","","","","","1.055","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248482","8.2862","0.0003","10.6476","0.0003","11.9806","0.0004","112.961","0.0009","90.022","0.001","112.819","0.001","882.66","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0605","0.0473","","","0.1143","0.1286","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248483","11.9739","0.0004","8.2807","0.0003","18.1504","0.0007","90","","101.666","0.001","90","","1762.48","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0419","","","0.1046","0.1135","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248484","11.9791","0.0004","8.2813","0.0003","18.0809","0.0007","90","","101.564","0.001","90","","1757.26","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0477","0.0412","","","0.1007","0.1083","","","","","","1.044","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248485","8.286","0.0007","10.6634","0.0007","11.9779","0.0009","112.795","0.002","90.023","0.002","112.784","0.002","885.34","0.12","190","2","190","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0635","0.0493","","","0.1195","0.1341","","","","","","1.055","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248486","8.2873","0.0004","10.7178","0.0003","11.9719","0.0005","112.29","0.0011","90.0213","0.0012","112.663","0.0012","894.47","0.06","220","2","220","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0778","0.0555","","","0.1333","0.1576","","","","","","1.046","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248487","11.9678","0.0005","8.2815","0.0004","18.3482","0.0009","90","","101.921","0.0012","90","","1779.3","0.14","210","2","210","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0583","0.046","","","0.1144","0.1281","","","","","","1.079","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248488","11.9719","0.0005","8.2815","0.0003","18.2151","0.0008","90","","101.755","0.0011","90","","1768.06","0.13","190","2","190","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0519","0.0433","","","0.1051","0.1134","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248489","8.2864","0.0007","10.6979","0.0007","11.9743","0.001","112.477","0.002","90.024","0.003","112.708","0.003","891.07","0.12","210","2","210","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0716","0.0536","","","0.1342","0.1557","","","","","","1.075","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248490","11.9744","0.0004","8.2815","0.0003","18.1491","0.0007","90","","101.664","0.001","90","","1762.61","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0507","0.0429","","","0.1061","0.1144","","","","","","1.056","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248491","11.9701","0.0005","8.2817","0.0004","18.2789","0.0009","90","","101.838","0.0012","90","","1773.5","0.14","200","2","200","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0557","0.0457","","","0.11","0.1195","","","","","","1.087","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248492","8.2858","0.0004","10.6794","0.0003","11.9757","0.0005","112.64","0.0011","90.0236","0.0012","112.75","0.0012","887.97","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.068","0.0519","","","0.1233","0.1393","","","","","","1.076","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248493","11.9659","0.0005","8.2828","0.0004","18.427","0.0009","90","","102.019","0.0012","90","","1786.28","0.14","220","2","220","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0628","0.0477","","","0.1119","0.1258","","","","","","1.024","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248497","4.7256","0.0003","16.4363","0.0011","9.9536","0.0006","90","","91.715","0.006","90","","772.76","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F6 N4 O2 -","- C16 H6 F6 N4 O2 -","- C32 H12 F12 N8 O4 -","2","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","26","19","2459","2462","10.1039/D4CE00318G","","","1.54184","CuKα","","0.0864","0.0788","","","0.1939","0.1991","","","","","","1.045","","","","has coordinates","292955","2024-07-05","15:23:48",""
"7248498","26.1617","0.0004","26.1617","0.0004","16.6663","0.0003","90","","90","","120","","9878.7","0.3","250","2","250.15","","","","","","","","","6","P 63/m c m","-P 6c 2","193","MAF-50","","","- C18 H8 F6 N4 O5 Zn2 -","- C18 H8 F6 N4 O5 Zn2 -","- C216 H96 F72 N48 O60 Zn24 -","12","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","26","19","2459","2462","10.1039/D4CE00318G","","","1.54184","CuKα","","0.1015","0.0891","","","0.2478","0.2666","","","","","","1.025","","","","has coordinates,has disorder","292955","2024-07-05","15:23:49",""
"7248499","13.7521","0.0002","22.0007","0.0003","13.9604","0.0002","90","","105.595","0.002","90","","4068.31","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 O4 P S -","- C16 H37 O4 P S -","- C128 H296 O32 P8 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.071","0.063","","","0.1532","0.1594","","","","","","1.0448","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248500","7.62801","0.00013","7.62801","0.00013","11.63","0.0003","90","","90","","90","","676.71","0.02","295","","295","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","","","- C8 H24 O4 P2 S -","- C8 H24 O4 P2 S -","- C16 H48 O8 P4 S2 -","2","0.125","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.0387","0.0349","","0.0428","0.0423","","","","1.67","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248501","9.1506","0.0009","14.1196","0.0014","9.8428","0.001","90","","90.112","0.008","90","","1271.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C32 H84 O16 P4 S4 -","4","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.055","0.0488","","0.0452","0.0444","","","","2.6088","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248502","8.2712","0.0007","9.0723","0.0005","9.5156","0.0005","91.535","0.005","108.541","0.007","113.825","0.007","609.29","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C16 H42 O8 P2 S2 -","2","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.08","0.0448","","","0.236","0.117","","","","","","1.0145","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248503","9.2928","0.0002","11.3811","0.0002","20.3088","0.0004","90","","96.149","0.002","90","","2135.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylphosphonium sulfate","","- C16 H40 O4 P2 S -","- C16 H40 O4 P2 S -","- C64 H160 O16 P8 S4 -","4","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0373","0.0324","","","0.0814","0.0829","","","","","","1.0313","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248504","9.2417","0.0002","7.2041","0.0001","26.6728","0.0005","90","","96.924","0.002","90","","1762.87","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 O4 P S -","- C4 H13 O4 P S -","- C32 H104 O32 P8 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0461","0.0345","","","0.0928","0.1025","","","","","","1.0326","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248505","14.0628","0.0003","14.5829","0.0004","21.8594","0.0006","90","","99.451","0.002","90","","4422","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 O5 P2 S -","- C16 H42 O5 P2 S -","- C128 H336 O40 P16 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.1044","0.0809","","","0.174","0.1892","","","","","","1.064","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248506","13.4285","0.0002","13.4285","0.0002","9.4154","0.0002","90","","90","","90","","1697.83","0.05","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C20 H12 Al F36 O4 P -","- C20 H12 Al F36 O4 P -","- C40 H24 Al2 F72 O8 P2 -","2","0.25","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0374","0.037","","","0.0999","0.1003","","","","","","1.0428","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248507","14.5323","0.0006","14.5323","0.0006","28.7233","0.0014","90","","90","","120","","5253.3","0.4","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H20 Br P -","- C8 H20 Br P -","- C144 H360 Br18 P18 -","18","0.5","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0675","0.0616","","0.0744","0.0736","","","","3.8867","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248508","21.3719","0.0001","12.2556","0.0001","17.2118","0.0001","90","","90","","90","","4508.21","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Ag2 Br3 P -","- C8 H20 Ag2 Br3 P -","- C96 H240 Ag24 Br36 P12 -","12","1.5","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0862","0.0866","","","","","","1.0433","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248509","7.02188","0.00005","7.02188","0.00005","10.03217","0.00012","90","","90","","120","","428.383","0.007","295","","295","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C4 H12 Br P -","- C4 H12 Br P -","- C8 H24 Br2 P2 -","2","0.166667","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0172","0.0162","","0.0192","0.0191","","","","1.6492","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248510","11.911","0.004","7.52","0.003","12.479","0.005","90","","117.134","0.009","90","","994.7","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","of 2,3-bis(5-iodo-2-methylthiophen-3-yl)naphthalene-1,4-dione","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","26","19","2510","2517","10.1039/D4CE00112E","","","0.71073","MoKα","","0.1261","0.052","","","0.1111","0.1358","","","","","","0.99","","","","has coordinates,has disorder","292957","2024-07-05","15:24:50",""
"7248511","11.9319","0.001","7.4644","0.0006","12.4586","0.001","90","","117.024","0.002","90","","988.47","0.14","296.15","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","26","19","2510","2517","10.1039/D4CE00112E","","","0.71073","MoKα","","0.0768","0.0432","","","0.1184","0.1317","","","","","","1.106","","","","has coordinates","292957","2024-07-05","15:24:51",""
"7248523","17.3426","0.0003","9.3673","0.0001","15.5652","0.0003","90","","110.316","0.002","90","","2371.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ce O12 -","- C24 H24 Ce O12 -","- C96 H96 Ce4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0366","0.0298","","","0.0725","0.0757","","","","","","1.046","","","","has coordinates","292985","2024-07-05","15:36:37",""
"7248524","17.2951","0.0005","9.2984","0.0002","15.4981","0.0004","90","","111.988","0.003","90","","2311.07","0.11","297.03","0.1","297.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Gd O12 -","- C24 H24 Gd O12 -","- C96 H96 Gd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0441","0.0305","","","0.0655","0.071","","","","","","1.06","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248525","17.4448","0.0004","9.2686","0.0002","15.5561","0.0005","90","","112.084","0.003","90","","2330.71","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Pr -","- C24 H24 O12 Pr -","- C96 H96 O48 Pr4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0397","0.0325","","","0.0829","0.0872","","","","","","1.028","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248526","17.2906","0.0007","9.2222","0.0002","15.3769","0.0006","90","","112.651","0.004","90","","2262.83","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Dy O12 -","- C24 H24 Dy O12 -","- C96 H96 Dy4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0355","0.0262","","","0.0599","0.0644","","","","","","1.038","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248527","17.3235","0.0007","9.227","0.0003","15.4275","0.0006","90","","112.661","0.005","90","","2275.62","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Tb -","- C24 H24 O12 Tb -","- C96 H96 O48 Tb4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.039","0.0263","","","0.0555","0.0583","","","","","","1.051","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248528","17.4259","0.0003","9.2729","0.0001","15.48","0.0003","90","","112.308","0.002","90","","2314.18","0.07","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Nd O12 -","- C24 H24 Nd O12 -","- C96 H96 Nd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0418","0.0382","","","0.1051","0.1081","","","","","","0.997","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248529","17.2995","0.0003","9.3193","0.0001","15.4902","0.0002","90","","111.9","0.002","90","","2317.1","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Eu O12 -","- C24 H24 Eu O12 -","- C96 H96 Eu4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0397","0.0337","","","0.0873","0.0899","","","","","","1.121","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248530","17.2512","0.0004","9.2096","0.0002","15.3351","0.0004","90","","112.636","0.003","90","","2248.71","0.1","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ho O12 -","- C24 H24 Ho O12 -","- C96 H96 Ho4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0486","0.0409","","","0.113","0.1192","","","","","","1.035","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248531","17.3836","0.0003","9.244","0.0001","15.4813","0.0003","90","","112.62","0.002","90","","2296.38","0.07","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O12 Sm -","- C24 H24 O12 Sm -","- C96 H96 O48 Sm4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0353","0.0277","","","0.066","0.0693","","","","","","1.035","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248532","18.4944","0.0008","23.2557","0.0011","5.4935","0.0002","90","","90","","90","","2362.76","0.17","170","","170","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.0909","0.0516","","","0.1026","0.1215","","","","","","1.081","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248533","13.421","0.005","6.843","0.003","14.762","0.004","90","","101.98","0.012","90","","1326.2","0.8","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H32 N2 O6 -","- C31 H32 N2 O6 -","- C62 H64 N4 O12 -","2","0.5","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1214","0.0719","","","0.1621","0.1985","","","","","","1.063","","","","has coordinates,has disorder","292938","2024-07-05","15:18:01",""
"7248534","18.37","0.004","23.19","0.008","5.466","0.0016","90","","90","","90","","2328.5","1.2","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1097","0.0657","","","0.1361","0.1592","","","","","","1.06","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248535","20.106","0.004","5.4996","0.001","23.399","0.005","90","","114.231","0.005","90","","2359.4","0.8","170","","170","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1541","0.0993","","","0.1837","0.2087","","","","","","1.09","","","","has coordinates,has disorder","292938","2024-07-05","15:18:01",""
"7248536","15.254","0.003","7.9952","0.0014","20.5","0.003","90","","96.512","0.005","90","","2484","0.7","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1791","0.0871","","","0.1623","0.2048","","","","","","1.039","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248545","7.6976","0.0005","7.8986","0.0005","10.982","0.0007","108.974","0.003","90.541","0.003","114.662","0.003","565.59","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers","CrystEngComm","2024","26","21","2755","2764","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0238","0.0218","","","0.0574","0.0588","","","","","","1.118","","","","has coordinates","292989","2024-07-05","15:37:22",""
"7248546","7.6921","0.0002","7.8232","0.0002","10.9612","0.0003","108.519","0.001","90.398","0.001","114.647","0.001","560.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers","CrystEngComm","2024","26","21","2755","2764","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0289","0.0241","","","0.0614","0.0637","","","","","","1.063","","","","has coordinates","292989","2024-07-05","15:37:22",""
"7248551","8.7312","0.0002","9.7117","0.0002","9.9811","0.0002","116.628","0.002","99.297","0.002","100.912","0.002","713.03","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C15 H12 N3 O4 -","- C15 H12 N3 O4 -","- C30 H24 N6 O8 -","2","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0573","0.049","","","0.1337","0.1414","","","","","","1.075","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248552","10.0548","0.0005","7.1932","0.0004","14.2783","0.0008","90","","108.473","0.005","90","","979.48","0.1","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0755","0.0558","","","0.1475","0.1628","","","","","","1.041","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248553","6.5102","0.0002","7.1433","0.0002","9.9181","0.0002","95.079","0.002","90.432","0.002","97.825","0.002","455.06","0.02","119.99","0.1","119.99","0.1","","","","","","","","4","P 1","P 1","1","","Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene","","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","1","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0459","0.0386","","","0.0929","0.0983","","","","","","1.051","","","","has coordinates,has disorder","292942","2024-07-05","15:18:50",""
"7248554","6.7011","0.0002","9.6663","0.0002","11.8016","0.0003","100.928","0.002","98.038","0.002","106.164","0.002","705.72","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl aminoterephthalate,1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","1","0.5","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0816","0.0591","","","0.1569","0.1741","","","","","","1.048","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248555","7.6502","0.0003","22.7523","0.0007","18.216","0.0005","90","","101.461","0.003","90","","3107.45","0.18","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 5-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C120 H96 N24 O32 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.1184","0.0891","","","0.2337","0.2585","","","","","","1.035","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248556","15.184","0.0002","6.1146","0.0001","15.368","0.0003","90","","116.952","0.002","90","","1271.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C48 H56 Cl4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0234","0.0221","","","0.0565","0.0575","","","","","","1.031","","","","has coordinates,has disorder","292970","2024-07-05","15:32:39",""
"7248557","13.9471","0.0005","11.0713","0.0003","8.2857","0.0003","90","","90","","90","","1279.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C48 H56 N8 O8 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0393","0.0379","","","0.1098","0.1107","","","","","","1.183","","","","has coordinates","292970","2024-07-05","15:32:49",""
"7248558","12.0797","0.0002","9.725","0.0001","12.7025","0.0002","90","","117.262","0.002","90","","1326.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I N S2 -","- C12 H14 I N S2 -","- C48 H56 I4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0216","0.0207","","","0.054","0.0548","","","","","","1.087","","","","has coordinates","292970","2024-07-05","15:32:59",""
"7248559","12.4564","0.0005","5.9662","0.0002","17.6358","0.0005","90","","101.17","0.003","90","","1285.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N S2 -","- C13 H17 N S2 -","- C52 H68 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0453","0.0353","","","0.086","0.0919","","","","","","1.027","","","","has coordinates","292970","2024-07-05","15:33:10",""
"7248560","12.1754","0.0002","9.6431","0.0001","12.347","0.0002","90","","117.889","0.002","90","","1281.28","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N S2 -","- C12 H14 Br N S2 -","- C48 H56 Br4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0174","0.0168","","","0.0438","0.0442","","","","","","1.082","","","","has coordinates","292970","2024-07-05","15:33:11",""
"7248562","12.3978","0.0006","13.197","0.0007","21.5304","0.0011","76.78","0.002","75.297","0.002","62.998","0.002","3009.5","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 N8 O13 Zn2 -","- C64 H62 N8 O13 Zn2 -","- C128 H124 N16 O26 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1015","0.0688","","","0.1566","0.1784","","","","","","1.049","","","","has coordinates","292972","2024-07-05","15:33:32",""
"7248563","13.1661","0.0002","20.0691","0.0004","17.0366","0.0003","90","","104.96","0.001","90","","4349.03","0.13","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 Cd2 N6 O10 -","- C46 H45 Cd2 N6 O10 -","- C184 H180 Cd8 N24 O40 -","4","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","1.54178","CuKα","","0.0342","0.0312","","","0.0999","0.1025","","","","","","1.044","","","","has coordinates","292972","2024-07-05","15:33:43",""
"7248564","11.9919","0.0007","16.8356","0.001","17.173","0.0009","64.117","0.003","79.161","0.003","77.41","0.004","3027.2","0.3","295.62","","295.62","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O8 Zn2 -","- C56 H48 N8 O8 Zn2 -","- C112 H96 N16 O16 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1873","0.0904","","","0.1691","0.1967","","","","","","0.99","","","","has coordinates","292972","2024-07-05","15:33:44",""
"7248565","32.213","0.012","7.738","0.002","19.107","0.006","90","","103.238","0.01","90","","4636","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F N3 O7 -","- C25 H24 F N3 O7 -","- C200 H192 F8 N24 O56 -","8","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1932","0.1017","","","0.2705","0.3495","","","","","","1.06","","","","has coordinates","292969","2024-07-05","15:32:10",""
"7248566","7.311","0.002","11.567","0.004","13.026","0.004","95.552","0.008","98.49","0.008","92.972","0.008","1081.9","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 F N3 O8 -","- C21 H27 F N3 O8 -","- C42 H54 F2 N6 O16 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1039","0.0588","","","0.1749","0.2561","","","","","","1.025","","","","has coordinates","292969","2024-07-05","15:32:11",""
"7248567","9.194","0.003","12.72","0.004","14.712","0.005","82.783","0.009","77.177","0.009","76.989","0.009","1629.4","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1406","0.0816","","","0.2455","0.3041","","","","","","0.994","","","","has coordinates,has disorder","292969","2024-07-05","15:32:20",""
"7248568","9.2235","0.0008","11.3207","0.001","15.6694","0.0014","89.989","0.002","75.496","0.002","85.944","0.002","1579.8","0.2","295","2","295.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 Cl6 F N3 O9 -","- C29 H21 Cl6 F N3 O9 -","- C58 H42 Cl12 F2 N6 O18 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0522","0.0409","","","0.1204","0.1313","","","","","","1.06","","","","has coordinates","292969","2024-07-05","15:32:29",""
"7248569","10.5368","0.0012","13.7042","0.0016","15.0079","0.0017","84.737","0.002","86.232","0.002","69.254","0.002","2016.8","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0869","0.061","","","0.1872","0.2345","","","","","","1.052","","","","has coordinates,has disorder","292969","2024-07-05","15:32:30",""
"7248570","9.0499","0.0008","9.5985","0.001","11.2088","0.0011","64.656","0.01","78.043","0.008","66.903","0.009","808.51","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O6 -","- C20 H14 N2 O6 -","- C40 H28 N4 O12 -","2","1","","Yin, Pei-Pei; Chen, Yu-E; Diao, Jia-Wei; Cheng, Yi-Yang; Yang, Xiao-Gang; Liu, Bao-Zhong; Ma, Lu-Fang","Facile synthesis of a 2,5-dihydroxyterephthalic acid-based charge transfer cocrystal for photoelectric applications","CrystEngComm","2024","26","21","2746","2750","10.1039/D4CE00338A","","x-ray","0.71073","MoKα","","0.0869","0.0594","","","0.1331","0.1503","","","","","","1.058","","","","has coordinates","292988","2024-07-05","15:37:10",""
"7248571","7.456","0.006","8.475","0.008","11.895","0.016","82.16","0.06","76.38","0.05","71.47","0.04","691.1","1.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals","CrystEngComm","2024","26","22","2871","2882","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0455","0.0393","","","0.1071","0.1113","","","","","","1.067","","","","has coordinates","292944","2024-07-05","15:19:46",""
"7248572","7.0505","0.0006","8.0193","0.0007","13.9507","0.0012","81.526","0.003","88.415","0.003","70.313","0.003","734.35","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals","CrystEngComm","2024","26","22","2871","2882","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0726","0.0664","","","0.2091","0.2172","","","","","","1.098","","","","has coordinates","292944","2024-07-05","15:19:46",""
"7248573","6.7599","0.0002","7.3998","0.0002","13.9289","0.0004","90","","112.268","0.002","90","","644.79","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 K2 Mn O3 P -","- F4 K2 Mn O3 P -","- F16 K8 Mn4 O12 P4 -","4","1","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","26","21","2796","2802","10.1039/D4CE00180J","","x-ray","1.3405","GaKα","","0.041","0.0398","","","0.1081","0.1093","","","","","","1.088","","","","has coordinates","292986","2024-07-05","15:36:51",""
"7248574","5.6785","0.0003","7.7011","0.0003","6.8171","0.0004","90","","109.673","0.006","90","","280.72","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F3 H Mn Na2 O4 P -","- F3 H Mn Na2 O4 P -","- F6 H2 Mn2 Na4 O8 P2 -","2","0.5","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","26","21","2796","2802","10.1039/D4CE00180J","","x-ray","0.71073","MoKα","","0.0273","0.025","","","0.058","0.0593","","","","","","1.121","","","","has coordinates","292986","2024-07-05","15:36:51",""
"7248579","10.0955","0.0004","40.9697","0.0015","11.4889","0.0004","90","","98.139","0.001","90","","4704.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cd N5 O5 -","- C50 H63 Cd N5 O5 -","- C200 H252 Cd4 N20 O20 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0339","0.031","","","0.0673","0.0684","","","","","","1.052","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248580","12.445","0.0012","15.1029","0.0014","15.5578","0.0015","94.759","0.003","113.19","0.003","103.711","0.003","2559.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H70 Cd N6 O6 -","- C53 H70 Cd N6 O6 -","- C106 H140 Cd2 N12 O12 -","2","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.066","0.0448","","","0.0911","0.099","","","","","","1.053","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248581","16.372","0.008","10.139","0.003","22.227","0.004","90","","101.261","0.015","90","","3619","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Cd N3 O5 -","- C37 H49 Cd N3 O5 -","- C148 H196 Cd4 N12 O20 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0833","0.0456","","","0.0922","0.107","","","","","","1.016","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248582","10.7318","0.0012","14.111","0.0016","14.3004","0.0017","64.885","0.002","72.876","0.008","75.908","0.005","1856.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","1","0.5","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0483","0.0437","","","0.1139","0.117","","","","","","1.033","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248583","10.0555","0.0007","13.6937","0.001","17.1536","0.0012","92.456","0.002","106.837","0.002","106.896","0.002","2142.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N4 O5 -","- C42 H53 Cd N4 O5 -","- C84 H106 Cd2 N8 O10 -","2","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0655","0.0482","","","0.1036","0.1108","","","","","","1.017","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248584","10.664","0.003","42.973","0.005","9.228","0.002","90","","97.349","0.015","90","","4194.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cd N4 O6 -","- C42 H58 Cd N4 O6 -","- C168 H232 Cd4 N16 O24 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.113","0.0808","","","0.1807","0.1977","","","","","","1.045","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248585","14.3702","0.0008","13.3514","0.0008","24.3154","0.0014","90","","94.535","0.002","90","","4650.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N8 O21 Zn3 -","- C48 H34 N8 O21 Zn3 -","- C192 H136 N32 O84 Zn12 -","4","0.5","","Chen, Qiang; Zhao, Chenzhu; Li, Xusheng; Liu, Hua; Chen, Jiao; Li, Quanquan; Liu, Ping; Wang, Yaoyu","Accelerating interfacial charge transfer and photocatalytic activity of a Z-scheme Zn-MOF/GO heterojunction towards the removal of Cr(vi) and methylene blue","CrystEngComm","2024","26","23","3054","3061","10.1039/D4CE00324A","","","1.34138","GaKα","","0.0355","0.03","","","0.0757","0.0788","","","","","","1.039","","","","has coordinates","292981","2024-07-05","15:35:41",""
"7248586","22.635","0.004","18.2458","0.0018","8.4549","0.0012","90","","90","","90","","3491.8","0.9","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 N2 O2 S -","- C8 H8 N2 O2 S -","- C128 H128 N32 O32 S16 -","16","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0998","0.1035","","","","","","1.1032","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248587","17.3234","0.0014","6.5197","0.0005","8.7737","0.0007","90","","90","","90","","990.93","0.14","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(5-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0535","0.0445","","","0.0853","0.0897","","","","","","1.0658","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248588","10.4402","0.0013","9.0667","0.0012","10.6841","0.0015","90","","103.828","0.012","90","","982","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0523","0.0402","","","0.1016","0.1105","","","","","","1.053","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248589","11.0048","0.0007","9.1927","0.0007","21.2407","0.0014","90","","90","","90","","2148.8","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4,5-dimethylthiazol-2-yl)piperidine-2,6-dione","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C80 H96 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0892","0.0588","","","0.1608","0.1864","","","","","","1.049","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248590","10.7717","0.0009","9.2453","0.0009","23.0901","0.0014","90","","90","","90","","2299.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(benzo[d]thiazol-2-yl)piperidine-2,6-dione","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C96 H80 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0853","0.0675","","","0.2051","0.2256","","","","","","0.905","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248597","14.5312","0.0006","13.8795","0.0005","15.1632","0.0006","90","","90","","90","","3058.2","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H20 I3 N -","- C8 H20 I3 N -","- C64 H160 I24 N8 -","8","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","26","20","2723","2736","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0446","0.0257","","","0.051","0.061","","","","","","1.051","","","","has coordinates,has disorder","292971","2024-07-05","15:33:21",""
"7248598","16.9466","0.0012","6.0287","0.0004","13.6214","0.0011","90","","97.621","0.004","90","","1379.35","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C7 H12 I3 N2 O0.5 -","- C7 H12 I3 N2 O0.5 -","- C28 H48 I12 N8 O2 -","4","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","26","20","2723","2736","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0732","0.0405","","","0.0861","0.1157","","","","","","1.197","","","","has coordinates","292971","2024-07-05","15:33:21",""
"7248599","8.6015","0.0017","11.121","0.002","13.895","0.003","90","","90.292","0.007","90","","1329.1","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 Cd N5 O12 P -","- C21 H30 Cd N5 O12 P -","- C42 H60 Cd2 N10 O24 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0775","0.0493","","","0.0785","0.0872","","","","","","1.012","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248600","13.813","0.005","14.472","0.006","20.721","0.007","90","","90","","90","","4142","3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cd N8 O21 P2 -","- C30 H44 Cd N8 O21 P2 -","- C120 H176 Cd4 N32 O84 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0618","0.0525","","","0.127","0.1332","","","","","","1.06","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248601","9.3779","0.0013","12.2117","0.0018","13.625","0.0019","90","","106.071","0.004","90","","1499.4","0.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H34 Cd N7 O15 P -","- C19 H34 Cd N7 O15 P -","- C38 H68 Cd2 N14 O30 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.033","0.0281","","","0.0632","0.0655","","","","","","1.014","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248602","8.31","0.005","11.901","0.007","14.109","0.008","90","","92.58","0.02","90","","1393.9","1.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Cd N5 O13 P -","- C21 H32 Cd N5 O13 P -","- C42 H64 Cd2 N10 O26 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0194","0.0183","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248603","13.5898","0.0015","14.6787","0.0017","21.008","0.002","90","","90","","90","","4190.7","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cd N10 O20 P2 -","- C28 H43 Cd N10 O20 P2 -","- C112 H172 Cd4 N40 O80 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.059","0.0435","","","0.095","0.1006","","","","","","1.026","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248604","34.707","0.002","11.0408","0.0007","21.7951","0.0016","90","","102.202","0.001","90","","8163.1","0.9","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cd1.5 Cl N8 O8 -","- C40 H34 Cd1.5 Cl N8 O8 -","- C320 H272 Cd12 Cl8 N64 O64 -","8","1","","Wu, Yu; Li, Junlan; Xu, Jing; Muddassir, Mohd.; Kushwaha, Aparna; Daniel, Omoding; Kumar, Abhinav; Zou, Like","4,4′-Bis(imidazolyl)biphenyl-appended Cd(ii) coordination polymer: a dual-functional material for antibiotic sensing and photodegradation","CrystEngComm","2024","26","23","3113","3122","10.1039/D4CE00294F","","","0.71073","MoKα","","0.1231","0.0648","","","0.1755","0.221","","","","","","1.028","","","","has coordinates,has disorder","292980","2024-07-05","15:35:34",""
"7248608","7.386","0.0015","15.868","0.003","19.198","0.004","103.38","0.03","95.61","0.03","99.79","0.03","2134.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 N3 O24 P3 Zn4 -","- C42 H34 N3 O24 P3 Zn4 -","- C84 H68 N6 O48 P6 Zn8 -","2","1","","Chen, Xi; Chen, Zi-tong; Xu, Shi-xian; Chen, Yuan; Tong, Jia-ping; Li, Bao","A self-assembled metal–organic framework for enhanced UO22+ fluorescence sensing: integration of an octa-nuclear zinc cluster with hexakis(4-carboxyphenoxy)cyclotriphosphazene","CrystEngComm","2024","26","25","3341","3348","10.1039/D4CE00401A","","","0.71073","MoKα","","0.0838","0.0777","","","0.219","0.2251","","","","","","1.047","","","","has coordinates","292967","2024-07-05","15:29:55",""
"7248609","8.1484","0.0002","8.1484","0.0002","26.8449","0.0011","90","","90","","90","","1782.41","0.1","172.8","0.2","172.8","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H13 Cl N2 O4 -","- C5 H13 Cl N2 O4 -","- C40 H104 Cl8 N16 O32 -","8","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0457","0.0407","","","0.1015","0.105","","","","","","1.043","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7248610","13.9407","0.0007","7.4715","0.0004","18.8287","0.0009","90","","106.62","0.005","90","","1879.23","0.17","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C54 H90 Cl6 N24 O24 -","6","3","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0761","0.0547","","","0.1406","0.1542","","","","","","0.92","","","","has coordinates","292941","2024-07-05","15:18:40",""
"7248611","8.8528","0.0006","7.5471","0.0007","9.7043","0.0008","90","","97.654","0.007","90","","642.6","0.09","297.99","0.1","297.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C18 H30 Cl2 N8 O8 -","2","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.1077","0.0754","","","0.2139","0.2412","","","","","","1.051","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7248612","31.366","0.002","10.0042","0.0007","22.8146","0.0017","90","","96.959","0.008","90","","7106.3","0.9","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Br Cu S2 -","- C16 H26 Br Cu S2 -","- C256 H416 Br16 Cu16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","","0.71073","MoKα","","0.0483","0.0301","","","0.0636","0.0653","","","","","","0.89","","","","has coordinates","292943","2024-07-05","15:19:34",""
"7248613","8.7545","0.0014","10.0042","0.0015","11.2498","0.0015","64.22","0.006","70.764","0.006","82.779","0.007","837.5","0.2","115","0.1","115","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 Cu S2 -","- C12 H22 Cl2 Cu S2 -","- C24 H44 Cl4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0338","0.0256","","","0.0638","0.0673","","","","","","1.063","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248614","8.7637","0.0014","15.977","0.002","11.262","0.002","90","","97.425","0.005","90","","1563.7","0.4","115","2","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Br2 Cu2 S4 -","- C24 H44 Br2 Cu2 S4 -","- C48 H88 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0964","0.0538","","","0.0609","0.0694","","","","","","0.974","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248615","12.0784","0.0005","9.6471","0.0004","13.6377","0.0005","90","","107.326","0.0012","90","","1516.98","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl Cu S2 -","- C12 H22 Cl Cu S2 -","- C48 H88 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.029","0.0208","","","0.0441","0.047","","","","","","1.077","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248616","11.3631","0.0005","9.2959","0.0004","17.5929","0.0007","90","","107.327","0.0013","90","","1774.01","0.13","115","0.1","115","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl Cu S2 -","- C16 H26 Cl Cu S2 -","- C64 H104 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0265","0.0196","","","0.0445","0.0472","","","","","","1.046","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248617","9.9428","0.0008","18.9973","0.0017","19.2437","0.0015","90","","90","","90","","3634.9","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Cu4 I4 S4 -","- C24 H44 Cu4 I4 S4 -","- C96 H176 Cu16 I16 S16 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0314","0.0296","","","0.072","0.0732","","","","","","1.064","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248618","11.4251","0.0003","16.2605","0.0004","8.8793","0.0002","90","","99.638","0.001","90","","1626.29","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cu I S2 -","- C12 H22 Cu I S2 -","- C48 H88 Cu4 I4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.019","0.0176","","","0.043","0.0438","","","","","","1.079","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248619","8.1661","0.0004","10.2416","0.0005","15.1301","0.0006","90","","98.034","0.002","90","","1252.97","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Br2 Cu N S -","- C8 H14 Br2 Cu N S -","- C32 H56 Br8 Cu4 N4 S4 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0308","0.0258","","","0.0554","0.0576","","","","","","1.062","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248620","31.853","0.002","10.1612","0.0006","22.91","0.0014","90","","96.804","0.002","90","","7362.9","0.8","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0165","0.0162","","","0.039","0.0391","","","","","","1.147","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248621","11.9606","0.0016","19.095","0.003","21.026","0.003","96.658","0.004","105.219","0.004","105.342","0.004","4379","1.1","300","0.1","300","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0825","0.0573","","","0.1493","0.1673","","","","","","1.04","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248622","11.8961","0.0004","18.938","0.0007","20.9008","0.0007","97.0884","0.0014","104.746","0.0013","104.317","0.0013","4324.1","0.3","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0557","0.0397","","","0.0899","0.1021","","","","","","1.067","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248623","11.8439","0.0004","18.8172","0.0005","20.8187","0.0006","97.3254","0.001","104.554","0.001","103.639","0.001","4277.4","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0376","0.0309","","","0.067","0.0725","","","","","","1.08","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248624","31.9681","0.0008","10.2932","0.0002","23.199","0.0007","90","","97.095","0.001","90","","7575.3","0.3","300","0.1","300","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0254","0.0198","","","0.0511","0.0527","","","","","","1.041","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248625","31.903","0.002","10.2246","0.0007","23.0547","0.0015","90","","96.911","0.002","90","","7465.7","0.8","220","0.1","220","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0171","0.0165","","","0.0411","0.0414","","","","","","1.163","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248626","31.932","0.002","10.2558","0.0007","23.1217","0.0016","90","","96.952","0.003","90","","7516.4","0.9","260","0.1","260","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0189","0.0177","","","0.0432","0.0438","","","","","","1.124","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248627","11.7692","0.0004","18.6908","0.0005","20.6753","0.0006","97.209","0.001","104.899","0.001","103.037","0.001","4199.8","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0335","0.0288","","","0.0571","0.0601","","","","","","1.025","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248628","31.8836","0.0012","10.19","0.0004","22.9758","0.0009","90","","96.839","0.001","90","","7411.6","0.5","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0169","0.0165","","","0.0401","0.0403","","","","","","1.157","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248629","9.1382","0.0011","9.9911","0.0008","11.27","0.001","65.156","0.004","70.131","0.004","84.401","0.005","876.92","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Br2 Cu S2 -","- C12 H22 Br2 Cu S2 -","- C24 H44 Br4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0216","0.0197","","","0.047","0.0479","","","","","","1.048","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248630","31.839","0.002","10.1369","0.0007","22.8562","0.0015","90","","96.789","0.002","90","","7325.1","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0163","0.0161","","","0.0388","0.0389","","","","","","1.169","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248631","11.7999","0.0004","18.7275","0.0005","20.7647","0.0006","97.4108","0.001","104.635","0.001","103.105","0.001","4238.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0334","0.0289","","","0.0568","0.0604","","","","","","1.086","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248632","3.68025","0.00019","9.5291","0.0006","13.5746","0.0007","83.751","0.005","87.678","0.004","81.873","0.005","468.32","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 N2 O2 S -","- C3 H2 N2 O2 S -","- C12 H8 N8 O8 S4 -","4","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0459","0.0455","","","0.1346","0.1351","","","","","","1.094","","","","has coordinates","292945","2024-07-05","15:20:12",""
"7248633","3.70347","0.00015","6.3835","0.0003","29.2533","0.0011","90","","92.866","0.004","90","","690.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C28 H16 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","0.71073","MoKα","","0.0508","0.0404","","","0.0766","0.0806","","","","","","1.089","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248634","3.922","0.0001","17.4283","0.0004","11.878","0.0003","90","","91.753","0.002","90","","811.53","0.03","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0363","0.0317","","","0.084","0.0887","","","","","","1.051","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248635","20.3375","0.0006","3.81288","0.0001","22.5207","0.0007","90","","109.866","0.003","90","","1642.43","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C64 H48 N16 O16 S8 -","8","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0446","0.0388","","","0.1018","0.1068","","","","","","1.042","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248636","6.9301","0.0004","7.3617","0.0004","8.2491","0.0004","91.5","0.005","107.919","0.005","115.929","0.006","353.72","0.04","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C14 H8 N4 O4 S2 -","2","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0369","0.0347","","","0.0951","0.0965","","","","","","1.062","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248637","10.02071","0.00014","3.83488","0.00005","21.0716","0.0003","90","","95.3939","0.0013","90","","806.159","0.019","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0232","0.0225","","","0.0585","0.0592","","","","","","1.078","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248638","12.8823","0.0006","3.76622","0.00018","15.6812","0.0008","90","","112.529","0.006","90","","702.75","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","0.71073","MoKα","","0.051","0.0376","","","0.0768","0.0832","","","","","","1.051","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248639","3.97381","0.0001","6.41163","0.00017","33.4053","0.0007","90","","92.357","0.002","90","","850.4","0.04","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0486","0.0476","","","0.1122","0.1142","","","","","","1.211","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248640","8.0711","0.0003","7.5844","0.0002","12.2026","0.0004","90","","105.733","0.003","90","","718.99","0.04","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0421","0.041","","","0.1097","0.1106","","","","","","1.196","","","","has coordinates","292945","2024-07-05","15:20:14",""
"7248648","10.3627","0.0006","18.5962","0.0011","16.5939","0.001","90","","106.222","0.002","90","","3070.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu2 N8 O42 S2 W10 -","- C28 H42 Cu2 N8 O42 S2 W10 -","- C56 H84 Cu4 N16 O84 S4 W20 -","2","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0499","0.0379","","","0.0797","0.0855","","","","","","1.044","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248649","10.8085","0.0004","16.8447","0.0006","18.0408","0.0007","90","","106.909","0.002","90","","3142.6","0.2","284","2","284","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 N8 O38 S4 W10 -","- C32 H40 Cu2 N8 O38 S4 W10 -","- C64 H80 Cu4 N16 O76 S8 W20 -","2","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0422","0.0362","","","0.0858","0.089","","","","","","1.1","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248650","16.7303","0.0008","17.5503","0.0008","18.9281","0.0009","90","","90","","90","","5557.7","0.5","226","2","226","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cu2 N8 O32.5 W10 -","- C40 H33 Cu2 N8 O32.5 W10 -","- C160 H132 Cu8 N32 O130 W40 -","4","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0373","0.0297","","","0.0673","0.0704","","","","","","1.079","","","","has coordinates","292966","2024-07-05","15:29:48",""
"7248651","15.4754","0.0004","20.748","0.0006","22.0378","0.0005","90","","90.783","0.001","90","","7075.3","0.3","304","2","304","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cu N7 O34 S W10 -","- C48 H66 Cu N7 O34 S W10 -","- C192 H264 Cu4 N28 O136 S4 W40 -","4","1","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","0.71073","MoKα","","0.0506","0.0394","","","0.0865","0.0916","","","","","","1.067","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248652","5.4941","0.0002","9.8998","0.0003","12.7267","0.0005","82.824","0.003","80.97","0.003","75.189","0.003","658.31","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ag F5 O3 -","- C11 H10 Ag F5 O3 -","- C22 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1292","0.1311","","","","","","1.072","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248653","14.4142","0.0001","23.8477","0.0001","15.1372","0.0001","90","","93.326","0.001","90","","5194.58","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H36 Ag4 F20 O17 -","- C46 H36 Ag4 F20 O17 -","- C184 H144 Ag16 F80 O68 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0219","0.0197","","","0.0524","0.0535","","","","","","1.077","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248654","5.59808","0.00005","10.23969","0.0001","12.79989","0.0001","97.6393","0.0007","96.3916","0.0007","102.328","0.0007","703.009","0.011","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag F5 O3 -","- C12 H12 Ag F5 O3 -","- C24 H24 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0138","0.0135","","","0.0327","0.0328","","","","","","1.055","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248655","17.79831","0.00019","5.58069","0.00005","25.9618","0.0002","90","","104.576","0.001","90","","2495.71","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H14 Ag2 F10 O5 -","- C24.001 H14.0025 Ag2 F10 O5 -","- C96.004 H56.01 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0237","0.0216","","","0.0514","0.0525","","","","","","1.024","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248656","5.695","0.0001","17.0008","0.0003","14.7939","0.0003","90","","97.036","0.002","90","","1421.55","0.05","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Ag F5 O2 -","- C15 H10 Ag F5 O2 -","- C60 H40 Ag4 F20 O8 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.026","0.0232","","","0.0579","0.0592","","","","","","1.052","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248657","5.5552","0.0002","16.061","0.0007","20.9338","0.0006","74.645","0.003","89.103","0.003","80.35","0.003","1774.79","0.12","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H6 Ag4 F20 O10 -","- C31 H6 Ag4 F20 O10 -","- C62 H12 Ag8 F40 O20 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0905","0.0465","","","0.0809","0.0924","","","","","","1.011","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248658","5.69188","0.00013","12.5817","0.0003","17.9282","0.0006","105.107","0.003","90.214","0.002","90.163","0.002","1239.51","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 Ag2 F10 O4 -","- C26 H12 Ag2 F10 O4 -","- C52 H24 Ag4 F20 O8 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0532","0.044","","","0.1057","0.1091","","","","","","1.148","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248659","13.9355","0.0002","5.5125","0.0001","22.5133","0.0002","90","","93.604","0.001","90","","1726.04","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Ag F5 O3 -","- C17 H16 Ag F5 O3 -","- C68 H64 Ag4 F20 O12 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0317","0.0266","","","0.0585","0.0602","","","","","","1.046","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248660","7.2534","0.0003","11.0121","0.0005","13.8225","0.0006","85.841","0.004","85.713","0.003","84.263","0.003","1093.11","0.08","120","0.11","120","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","1","0.5","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0445","0.0355","","","0.0756","0.0793","","","","","","1.049","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248661","5.5278","0.0001","8.6031","0.0001","13.1699","0.0002","103.225","0.001","94.823","0.002","100.843","0.002","593.499","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag F5 O3 -","- C11 H8 Ag F5 O3 -","- C22 H16 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0167","0.0163","","","0.0421","0.0422","","","","","","1.116","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248662","12.4062","0.0003","13.45738","0.00019","13.9666","0.0003","85.3721","0.0016","70.664","0.002","86.9586","0.0016","2192.23","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 Ag3 F15 O8 -","- C41 H36 Ag3 F15 O8 -","- C82 H72 Ag6 F30 O16 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0319","0.0306","","","0.0793","0.0802","","","","","","1.028","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248663","5.6097","0.0001","55.4509","0.0015","13.6451","0.0004","90","","97.194","0.002","90","","4211.07","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Ag4 F20 O8 -","- C42 H16 Ag4 F20 O8 -","- C168 H64 Ag16 F80 O32 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0662","0.0528","","","0.1267","0.1333","","","","","","1.047","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248664","5.51822","0.00013","9.8945","0.0005","13.0489","0.0003","75.275","0.003","85.88","0.002","79.845","0.003","678","0.04","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Ag F5 O3 -","- C12 H10 Ag F5 O3 -","- C24 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.1027","0.1058","","","","","","1.093","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248665","6.9141","0.0003","5.561","0.0002","37.1068","0.0011","90","","93.837","0.003","90","","1423.53","0.09","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 Ag2 F5 O4 -","- C14 H5 Ag2 F5 O4 -","- C56 H20 Ag8 F20 O16 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.06","0.047","","","0.1143","0.1201","","","","","","1.04","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248666","14.608","0.0004","9.2325","0.0002","18.5937","0.0004","90","","103.76","0.002","90","","2435.73","0.1","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag2 F10 O5 -","- C26 H10 Ag2 F10 O5 -","- C104 H40 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0444","0.0332","","","0.075","0.0792","","","","","","1.023","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248675","9.4328","0.0002","9.8482","0.0003","18.3159","0.0007","90.907","0.003","94.232","0.002","90.018","0.002","1696.62","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cl4 N4 O7 -","- C31 H38 Cl4 N4 O7 -","- C62 H76 Cl8 N8 O14 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0807","0.0437","","","0.0981","0.1116","","","","","","1.041","","","","has coordinates","292940","2024-07-05","15:18:26",""
"7248676","9.6753","0.0003","9.9173","0.0003","19.001","0.0005","88.365","0.002","79.728","0.003","88.551","0.003","1792.87","0.09","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 Cl4 N4 O6 -","- C33 H40 Cl4 N4 O6 -","- C66 H80 Cl8 N8 O12 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0629","0.0438","","","0.1159","0.1265","","","","","","1.035","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248677","9.488","0.0003","9.7666","0.0003","18.9486","0.0007","88.206","0.003","78.488","0.003","88.798","0.003","1719.52","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cl4 N4 O5 -","- C34 H40 Cl4 N4 O5 -","- C68 H80 Cl8 N8 O10 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","x-ray","1.54184","CuKα","","0.0916","0.077","","","0.2267","0.2583","","","","","","1.083","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248678","9.6066","0.0005","43.035","0.002","9.7812","0.0005","90","","90","","90","","4043.7","0.3","294","1","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H44 Cl4 N4 O6 S2 -","- C35 H44 Cl4 N4 O6 S2 -","- C140 H176 Cl16 N16 O24 S8 -","4","0.5","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.1096","0.0665","","","0.1711","0.191","","","","","","1.045","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248679","9.4529","0.0004","10.1381","0.0002","19.0267","0.0006","84.791","0.002","89.345","0.003","88.234","0.002","1814.95","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33.01 H42.01 Cl4 N4 O7 -","- C33.004 H42.012 Cl4 N4 O7.002 -","- C66.008 H84.024 Cl8 N8 O14.004 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","x-ray","0.71073","MoKα","","0.1","0.0615","","","0.1762","0.2059","","","","","","1.042","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248680","9.3574","0.0001","36.5523","0.0005","10.2282","0.0002","90","","90.134","0.001","90","","3498.39","0.09","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl4 N4 O8 -","- C31 H40 Cl4 N4 O8 -","- C124 H160 Cl16 N16 O32 -","4","2","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0474","0.0336","","","0.0756","0.081","","","","","","1.029","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248686","25.679","0.007","11.127","0.003","12.959","0.004","90","","96.868","0.003","90","","3676.2","1.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Na O10 Re -","- C12 H24 Na O10 Re -","- C96 H192 Na8 O80 Re8 -","8","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0473","0.039","","","0.1031","0.1087","","","","","","1.083","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248687","9.1","0.003","9.1","0.003","17.743","0.006","90","","90","","90","","1469.3","0.8","296","2","296.15","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C20 H44 N O14 Re -","- C20 H44 N O14 Re -","- C40 H88 N2 O28 Re2 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.1333","0.0838","","","0.2257","0.2607","","","","","","1.086","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248688","8.3113","0.0002","15.5506","0.0004","14.6792","0.0004","90","","90","","90","","1897.22","0.08","108","2","108.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0451","0.0437","","","0.122","0.1226","","","","","","1.312","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248689","8.382","0.005","15.736","0.008","14.815","0.008","90","","90","","90","","1954.1","1.9","296","2","296.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0536","0.0501","","","0.13","0.1314","","","","","","1.298","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248690","8.7695","0.0003","8.9474","0.0003","17.6798","0.0005","83.446","0.001","88.652","0.001","87.634","0.001","1376.74","0.08","108","2","108.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 N O14 Re -","- C20 H48 N O14 Re -","- C40 H96 N2 O28 Re2 -","2","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.064","0.0485","","","0.1016","0.1084","","","","","","1.027","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248691","12.7794","0.0018","8.1003","0.0012","19.956","0.003","90","","90","","90","","2065.8","0.5","140","","140","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H24 Br2 N2 O -","- C20 H23.5 Br2 N2 O -","- C80 H94 Br8 N8 O4 -","4","0.5","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.061","0.0357","","","0.0806","0.0846","","","","","","1.04","","","","has coordinates,has disorder","292952","2024-07-05","15:22:48",""
"7248692","6.8222","0.0005","11.0457","0.0008","12.1817","0.0009","90","","94.692","0.002","90","","914.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 -","- C18 H18 I2 N2 -","- C36 H36 I4 N4 -","2","0.5","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0299","0.0274","","","0.0689","0.0699","","","","","","1.115","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248693","16.9076","0.0007","15.1942","0.0007","13.5491","0.0006","90","","125.455","0.001","90","","2835.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi I7 N4 O3 S3 -","- C42 H54 Bi I7 N4 O3 S3 -","- C84 H108 Bi2 I14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0261","0.0215","","","0.0466","0.0484","","","","","","0.971","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248694","16.5194","0.0009","14.5925","0.0009","13.2748","0.0007","90","","125.29","0.001","90","","2612","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi Br7 N4 O3 S3 -","- C42 H54 Bi Br7 N4 O3 S3 -","- C84 H108 Bi2 Br14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0315","0.0259","","","0.0579","0.0601","","","","","","0.993","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248695","10.4022","0.0005","12.5641","0.0007","19.9063","0.001","94.466","0.002","103.253","0.001","112.57","0.001","2298.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi2 I9 N4 O -","- C30 H34 Bi2 I9 N4 O -","- C60 H68 Bi4 I18 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0293","0.0258","","","0.0576","0.0588","","","","","","1.089","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248696","11.442","0.003","13.461","0.003","12.46","0.003","90","","107.555","0.007","90","","1829.7","0.8","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi Br4 N O S -","- C11 H15 Bi Br4 N O S -","- C44 H60 Bi4 Br16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0752","0.0785","","","","","","1.034","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248697","11.7459","0.0014","14.2042","0.0019","12.5884","0.0015","90","","106.018","0.004","90","","2018.7","0.4","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi I4 N O S -","- C11 H15 Bi I4 N O S -","- C44 H60 Bi4 I16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0401","0.0303","","","0.068","0.0714","","","","","","1.026","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248698","9.4546","0.001","13.286","0.0012","13.9063","0.0011","81.087","0.003","76.125","0.004","69.233","0.004","1581","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Bi Br4.11 Cl1.89 N3 -","- C27 H28 Bi Br4.111 Cl1.889 N3 -","- C54 H56 Bi2 Br8.222 Cl3.778 N6 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0698","0.0384","","","0.0546","0.0633","","","","","","1.04","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248699","11.0547","0.0005","13.7612","0.0006","13.8907","0.0006","74.65","0.001","87.794","0.001","72.935","0.001","1946.28","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi I6 N4 O -","- C30 H34 Bi I6 N4 O -","- C60 H68 Bi2 I12 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0229","0.0203","","","0.041","0.0417","","","","","","1.066","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248700","12.79","0.003","14.769","0.004","19.156","0.005","67.593","0.005","73.276","0.005","80.529","0.007","3197.6","1.4","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Bi2 Br8.49 Cl3.51 N6 -","- C54 H54 Bi2 Br8.489 Cl3.511 N6 -","- C108 H108 Bi4 Br16.978 Cl7.022 N12 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0721","0.0487","","","0.1086","0.1182","","","","","","1.027","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248701","22.399","0.002","21.812","0.002","32.531","0.003","90","","90","","90","","15894","3","100.15","","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C120 H136 Bi4 I24 N16 O4 -","- C120 H136 Bi4 I24 N16 O4 -","- C480 H544 Bi16 I96 N64 O16 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0934","0.0751","","","0.1617","0.1753","","","","","","1.161","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248702","17.3495","0.0014","14.7084","0.0012","13.8354","0.0011","90","","121.69","0.002","90","","3004.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C45 H57 Bi I7 N7 O3 -","- C36 H36 Bi I7 N4 -","- C72 H72 Bi2 I14 N8 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.044","0.0417","","","0.1186","0.1213","","","","","","1.046","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248703","27.025","0.005","30.658","0.006","18.995","0.004","90","","132.465","0.002","90","","11610","4","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1","","- C16 H90 Co4 N16 Na2 O58 Ta12 -","- C16 H16 Co4 N16 Na2 O57 Ta12 -","- C64 H64 Co16 N64 Na8 O228 Ta48 -","4","0.5","","Cao, Yun-Fei; Lin, Yu-Jin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","26","26","3527","3534","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0458","0.0364","","","0.0972","0.104","","","","","","1.064","","","","has coordinates,has disorder","292947","2024-07-05","15:20:58",""
"7248704","10.3393","0.0009","12.4346","0.0011","15.4023","0.0013","75.628","0.001","81.024","0.002","82.131","0.001","1884.7","0.3","170","","170","","","","","","","","","8","P -1","-P 1","2","","1","","- C4 H90 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","1","0.5","","Cao, Yun-Fei; Lin, Yu-Jin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","26","26","3527","3534","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0606","0.0434","","","0.1132","0.1243","","","","","","1.037","","","","has coordinates","292947","2024-07-05","15:20:58",""
"7248705","29.7023","0.0015","29.7023","0.0015","5.3577","0.0003","90","","90","","120","","4093.4","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl-2-amino-5-methoxybenzoate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C162 H198 N18 O54 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","26","23","3021","3025","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0637","0.0438","","","0.097","0.1071","","","","","","1.03","","","","has coordinates","292984","2024-07-05","15:36:21",""
"7248706","27.6948","0.0015","27.6948","0.0015","5.9072","0.0004","90","","90","","120","","3923.8","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl 2-amino-5-methylbenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C162 H198 N18 O36 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","26","23","3021","3025","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0778","0.0522","","","0.114","0.1302","","","","","","1.044","","","","has coordinates","292984","2024-07-05","15:36:21",""
"7248707","16.719","0.006","7.935","0.003","11.68","0.004","90","","101.248","0.006","90","","1519.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 O3 S -","- C15 H13 F3 O3 S -","- C60 H52 F12 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1001","0.0815","","","0.1986","0.2126","","","","","","1.068","","","","has coordinates,has disorder","292953","2024-07-05","15:23:13",""
"7248708","7.5635","0.0005","24.1053","0.0016","8.0213","0.0005","90","","104.686","0.001","90","","1414.67","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O3 S -","- C14 H13 Br O3 S -","- C56 H52 Br4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0931","0.0497","","","0.1328","0.1596","","","","","","0.94","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248709","15.5325","0.0008","7.7124","0.0003","11.7108","0.0005","90","","100.106","0.004","90","","1381.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl O3 S -","- C14 H13 Cl O3 S -","- C56 H52 Cl4 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0354","0.032","","","0.0852","0.0882","","","","","","1.025","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248710","10.1905","0.0006","26.3756","0.0019","11.062","0.0008","90","","94.342","0.002","90","","2964.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C120 H112 F24 N8 O16 S8 -","8","4","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0642","0.0559","","","0.1515","0.1585","","","","","","1.048","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248711","9.1017","0.0004","5.7077","0.0002","25.1568","0.0011","90","","90","","90","","1306.89","0.09","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C56 H60 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0244","0.0241","","","0.0624","0.0626","","","","","","1.083","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248712","26.8683","0.0014","5.8303","0.0003","9.064","0.0005","90","","98.976","0.002","90","","1402.49","0.13","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Br N O2 S -","- C14 H14 Br N O2 S -","- C56 H56 Br4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0341","0.0312","","","0.0746","0.0759","","","","","","1.101","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248713","15.27","0.004","5.4721","0.0015","17.456","0.005","90","","109.587","0.008","90","","1374.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1268","0.1141","","","0.3133","0.3314","","","","","","1.071","","","","has coordinates,has disorder","292953","2024-07-05","15:23:13",""
"7248714","7.5399","0.0005","7.6427","0.0005","24.2467","0.0016","90","","93.27","0.004","90","","1394.95","0.16","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C56 H64 N8 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0528","0.0452","","","0.1059","0.1097","","","","","","1.117","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248715","26.5795","0.0011","5.7691","0.0002","9.0833","0.0004","90","","98.991","0.001","90","","1375.72","0.1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0385","0.0335","","","0.0759","0.0783","","","","","","1.029","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248716","9.1812","0.0006","5.7173","0.0004","53.186","0.004","90","","90","","90","","2791.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C120 H112 N16 O16 S8 -","8","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0903","0.0886","","","0.2034","0.2042","","","","","","1.172","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248717","14.225","0.003","7.0381","0.0014","14.882","0.003","90","","116.423","0.007","90","","1334.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C52 H52 Cl4 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0276","0.0265","","","0.0728","0.0737","","","","","","1.065","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248718","5.4885","0.0003","9.4202","0.0005","24.6029","0.0014","90","","95.597","0.002","90","","1265.97","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0443","0.0384","","","0.0947","0.0981","","","","","","1.065","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248719","7.6373","0.0003","11.5197","0.0004","16.1227","0.0006","89.774","0.001","80.11","0.001","85.664","0.001","1393.33","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0311","0.0299","","","0.0826","0.0838","","","","","","1.04","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248720","7.7896","0.001","15.722","0.002","22.587","0.003","90","","90","","90","","2766.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0707","0.0597","","","0.1328","0.1382","","","","","","1.166","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248721","5.5952","0.0002","12.3194","0.0004","20.3022","0.0007","88.811","0.001","85.772","0.001","76.874","0.001","1359.14","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br N2 O2 S -","- C13 H13 Br N2 O2 S -","- C52 H52 Br4 N8 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0277","0.023","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248722","25.3896","0.0008","5.0011","0.0002","22.3676","0.0008","90","","94.337","0.002","90","","2832.01","0.18","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 F3 N2 O2 S -","- C14 H13 F3 N2 O2 S -","- C112 H104 F24 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0478","0.0453","","","0.1049","0.1066","","","","","","1.074","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248723","7.3793","0.0006","8.1389","0.0007","24.315","0.002","85.636","0.005","89.814","0.005","74.498","0.004","1402.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C60 H64 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1373","0.1224","","","0.3","0.3076","","","","","","1.103","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248724","14.7745","0.0004","6.9327","0.0002","14.9312","0.0004","90","","118.484","0.001","90","","1344.23","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.034","0.032","","","0.0803","0.0816","","","","","","1.081","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248748","14.0454","0.0006","7.0154","0.0003","20.9702","0.001","90","","105.948","0.002","90","","1986.75","0.15","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F20 Ni2 O10 -","- C38 H20 F20 Ni2 O10 -","- C76 H40 F40 Ni4 O20 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0318","0.0278","","","0.0589","0.0608","","","","","","1.084","","","","has coordinates","292978","2024-07-05","15:34:59",""
"7248749","5.0933","0.0007","13.6611","0.0018","13.976","0.002","98.835","0.004","99.813","0.004","90.305","0.004","946.4","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","1","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0979","0.0635","","","0.1327","0.1475","","","","","","1.117","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248750","10.605","0.002","13.738","0.003","13.967","0.003","98.221","0.002","94.599","0.002","99.35","0.002","1976","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cu2 F20 O8 -","- C38 H16 Cu2 F20 O8 -","- C76 H32 Cu4 F40 O16 -","2","1","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0442","0.0353","","","0.0908","0.0967","","","","","","1.052","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248751","12.4777","0.0005","13.9837","0.0004","14.3744","0.0005","90","","102.552","0.001","90","","2448.16","0.15","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 F20 Ni2 O14 -","- C42 H36 F20 Ni2 O14 -","- C84 H72 F40 Ni4 O28 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0548","0.0359","","","0.0708","0.0772","","","","","","1.034","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248752","6.6055","0.0007","7.4668","0.001","12.196","0.0016","103.927","0.005","90.111","0.004","95.743","0.004","580.71","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C14 H32 Cd2 Cl6 N2 -","2","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0379","0.0347","","","0.089","0.0934","","","","","","1.043","","","","has coordinates","292963","2024-07-05","15:28:59",""
"7248753","12.2318","0.0012","6.6515","0.0006","15.0423","0.0012","90","","103.61","0.003","90","","1189.47","0.19","400","","400","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0811","0.0905","","","","","","1.049","","","","has coordinates","292963","2024-07-05","15:29:00",""
"7248754","12.229","0.002","6.6525","0.0011","15.025","0.002","90","","103.592","0.006","90","","1188.1","0.3","388","","388","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0401","0.0309","","","0.0739","0.0806","","","","","","1.042","","","","has coordinates","292963","2024-07-05","15:29:00",""
"7248755","7.5694","0.0014","24.091","0.004","6.6715","0.0012","90","","90","","90","","1216.6","0.4","448","","448","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","0.25","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.037","0.0326","","","0.0853","0.0898","","","","","","1.088","","","","has coordinates,has disorder","292963","2024-07-05","15:29:00",""
"7248762","12.174","0.003","12.458","0.003","13.317","0.003","80.136","0.003","81.546","0.004","83.025","0.004","1958.6","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","1","0.5","","Zhang, Shu-Ran; Qin, Shao-Dan; Xu, Guang-Juan; Xie, Wei; Xu, Na; Jiang, Nan; Xu, Yan-Hong; Hu, Xiao-Li; Su, Zhong-Min","Co-based MOF as an efficient catalyst by peroxymonosulfate activation for degradation of tetracycline: synthesis and performance","CrystEngComm","2024","26","27","3744","3753","10.1039/D4CE00350K","","","0.71073","MoKα","","0.1131","0.0557","","","0.1276","0.1536","","","","","","0.908","","","","has coordinates","293793","2024-08-05","18:26:42",""
"7248763","8.2876","0.0017","11.814","0.003","8.2579","0.0018","90","","90","","90","","808.5","0.3","300","2","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br2.7 Cs I0.3 Pb -","- Br2.7 Cs I0.3 Pb -","- Br10.8 Cs4 I1.2 Pb4 -","4","0.5","","Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen","Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr2.7I0.3","CrystEngComm","2024","26","24","3162","3166","10.1039/D4CE00235K","","","0.71073","MoKα","","0.0787","0.0437","","","0.0893","0.1069","","","","","","1.02","","","","has coordinates,has disorder","292939","2024-07-05","15:18:11",""
"7248781","12.1399","0.0008","3.6287","0.0003","11.6102","0.0007","90","","90","","90","","511.45","0.06","100","2","100","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C2 H4 N6 O -","- C2 H4 N6 O -","- C8 H16 N24 O4 -","4","0.5","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0518","0.0441","","","0.1041","0.1116","","","","","","1.028","","","","has coordinates","292962","2024-07-05","15:28:48",""
"7248782","20.0924","0.0005","5.8345","0.0001","12.1652","0.0003","90","","98.823","0.001","90","","1409.24","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N8 O3 -","- C2 H4 N8 O3 -","- C16 H32 N64 O24 -","8","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.031","0.0293","","","0.079","0.0801","","","","","","1.074","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248783","19.6742","0.0016","3.7044","0.0003","8.671","0.0006","90","","90","","90","","631.95","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H7 N7 O2 -","- C2 H7 N7 O2 -","- C8 H28 N28 O8 -","4","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0437","0.0399","","","0.093","0.096","","","","","","1.051","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248784","14.1872","0.0015","9.3706","0.0007","8.6822","0.0008","90","","90","","90","","1154.23","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H5 N7 O -","- C2 H5 N7 O -","- C16 H40 N56 O8 -","8","2","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0791","0.055","","","0.1046","0.1164","","","","","","1.009","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248785","20.0632","0.0007","9.1635","0.0003","32.526","0.001","90","","107.488","0.003","90","","5703.5","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H25 Ce N4 O7 -","- C29 H25 Ce N4 O7 -","- C232 H200 Ce8 N32 O56 -","8","1","","Liu, Tong-Ji; Xu, Hang; Shi, Ying; Zhao, Bin","A highly stable cerium–organic framework: an efficient catalyst for the cycloaddition of CO2 and aziridines under mild-pressure","CrystEngComm","2024","26","27","3687","3693","10.1039/D4CE00167B","","x-ray","0.71073","MoKα","","0.0341","0.0276","","","0.0508","0.0536","","","","","","1.108","","","","has coordinates","293796","2024-08-05","18:27:32",""
"7248786","10.1527","0.0001","21.4379","0.0003","12.6218","0.0002","90","","96.047","0.001","90","","2731.88","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cu2 N10 O14 -","- C56 H50 Cu2 N10 O14 -","- C112 H100 Cu4 N20 O28 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0458","0.0396","","","0.101","0.1059","","","","","","1.042","","","","has coordinates,has disorder","292965","2024-07-05","15:29:35",""
"7248787","10.8808","0.0003","11.1603","0.0003","12.5136","0.0003","111.044","0.002","107.145","0.002","95.432","0.002","1320.49","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.056","0.0476","","","0.1154","0.1198","","","","","","1.078","","","","has coordinates,has disorder","292965","2024-07-05","15:29:35",""
"7248788","7.1723","0.0001","10.3009","0.0001","13.3438","0.0001","90","","99.696","0.001","90","","971.773","0.018","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O6 -","- C20 H16 N6 O6 -","- C40 H32 N12 O12 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.1011","0.1034","","","","","","1.098","","","","has coordinates","292965","2024-07-05","15:29:36",""
"7248789","10.1841","0.0002","22.1378","0.0004","12.2623","0.0002","90","","96.771","0.002","90","","2745.3","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N10 Ni2 O13 -","- C56 H48 N10 Ni2 O13 -","- C112 H96 N20 Ni4 O26 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0891","0.0572","","","0.1235","0.1377","","","","","","1.082","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248790","11.2569","0.0011","13.4025","0.0017","13.5086","0.0013","61.328","0.011","71.172","0.009","75.382","0.01","1680.8","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0989","0.0644","","","0.1346","0.1493","","","","","","1.078","","","","has coordinates","292965","2024-07-05","15:29:36",""
"7248791","10.1534","0.0002","10.8388","0.0002","17.2424","0.0002","88.548","0.001","89.922","0.002","84.669","0.002","1888.72","0.06","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1075","0.1118","","","","","","1.031","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248792","13.5935","0.0003","29.6842","0.0009","17.6639","0.0005","90","","104.823","0.003","90","","6890.4","0.3","273","0.1","273","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H132 N24 Ni3 O32 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0943","0.0809","","","0.2226","0.2324","","","","","","1.053","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248793","13.6311","0.0001","30.6414","0.0001","16.9666","0.0001","90","","104.013","0.001","90","","6875.65","0.07","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C134 H146 N26 Ni3 O34 S2 -","- C134 H146 N26 Ni3 O34 S2 -","- C268 H292 N52 Ni6 O68 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.1334","0.1366","","","","","","1.063","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248794","13.6178","0.0001","29.7718","0.0002","17.1157","0.0002","90","","104.098","0.001","90","","6730.15","0.11","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H136 N24 Ni3 O34 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0911","0.0857","","","0.2222","0.2267","","","","","","1.083","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248795","7.8012","0.0003","5.3813","0.0002","12.1746","0.0004","90","","102.724","0.0011","90","","498.55","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Analyl-glycyl-glycine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C14 H30 N6 O10 -","2","1","","Toomey, Ryan; Wang, Luther; Heider, Emily C.; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A. A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish A.; Harper, James K.","NMR-guided refinement of crystal structures using 15N chemical shift tensors","CrystEngComm","2024","26","25","3289","3302","10.1039/D4CE00237G","","","1.5","neutron","","0.0554","0.0549","","","0.1351","0.1355","","","","","","1.071","","","","has coordinates","292964","2024-07-05","15:29:06",""
"7248796","15.1803","0.0007","15.8937","0.0008","31.1603","0.0012","90","","90","","90","","7518.1","0.6","296","2","296.15","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C37 H26 Cd N2 O6 -","- C37 H26 Cd N2 O6 -","- C296 H208 Cd8 N16 O48 -","8","1","","Chen, Wei-Min; Zhang, Yi; Xue, Zhen-Dong; Zhu, Hao-Yu; Gao, Qiang; Chen, Li-Zhuang; Wang, Fang-Ming","Three new AIE-cored luminescent Cd-based MOFs with high quantum yields and selective detection of ions in aqueous media","CrystEngComm","2024","26","26","3483","3489","10.1039/D4CE00446A","","","0.71073","MoKα","","0.1882","0.0742","","","0.1681","0.2225","","","","","","1.001","","","","has coordinates","292946","2024-07-05","15:20:37",""
"7248797","11.7204","0.0002","8.4362","0.0002","21.7076","0.0005","90","","98.393","0.002","90","","2123.37","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O6 -","- C21 H23 Cl N4 O6 -","- C84 H92 Cl4 N16 O24 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0533","0.0441","","","0.1099","0.1178","","","","","","1.036","","","","has coordinates","293785","2024-08-05","18:25:03",""
"7248798","17.5775","0.0009","8.5067","0.0004","16.7661","0.0009","90","","106.408","0.006","90","","2404.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O8 -","- C24 H30 N4 O8 -","- C96 H120 N16 O32 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1354","0.0918","","","0.1788","0.2","","","","","","1.144","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248799","12.0964","0.0003","9.7449","0.0002","20.4019","0.0006","90","","101.15","0.002","90","","2359.54","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N5 O7 -","- C23 H27 N5 O7 -","- C92 H108 N20 O28 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1613","0.0944","","","0.1802","0.2138","","","","","","1.062","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248800","12.2812","0.0002","11.5143","0.0002","14.0952","0.0002","90","","107.887","0.002","90","","1896.85","0.06","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N8 O12 S2 -","- C38 H44 N8 O12 S2 -","- C76 H88 N16 O24 S4 -","2","0.5","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0402","0.0365","","","0.095","0.0984","","","","","","1.009","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248801","10.6038","0.0007","12.9331","0.0011","14.4781","0.0008","67.818","0.006","84.598","0.005","84.69","0.006","1826.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N10 O11 -","- C34 H42 N10 O11 -","- C68 H84 N20 O22 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","1.54184","CuKα","","0.0983","0.06","","","0.1517","0.1786","","","","","","1.026","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248802","14.4664","0.0004","12.6295","0.0002","12.7478","0.0004","90","","111.155","0.003","90","","2172.1","0.11","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.37 H23.49 N6 O7.37 -","- C20.372 H23.488 N6 O7.372 -","- C81.488 H93.952 N24 O29.488 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0623","0.0512","","","0.1301","0.1395","","","","","","1.02","","","","has coordinates,has disorder","293785","2024-08-05","18:25:04",""
"7248803","16.9699","0.0004","17.1267","0.0005","17.9029","0.0003","63.782","0.003","64.481","0.002","84.746","0.002","4181.1","0.2","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C160 H176 N32 O64 -","8","4","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0797","0.0595","","","0.1476","0.1662","","","","","","1.03","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248804","11.4318","0.0001","11.9311","0.0001","12.8427","0.0002","83.493","0.001","68.677","0.001","61.801","0.001","1434.43","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N4 O11 S2 -","- C26 H34 N4 O11 S2 -","- C52 H68 N8 O22 S4 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0589","0.0464","","","0.1116","0.1201","","","","","","1.037","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248805","8.8391","0.0005","26.4003","0.0012","9.9765","0.0005","90","","106.136","0.005","90","","2236.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B2 Cu F8 N8 O4 -","- C42 H48 B2 Cu F8 N8 O4 -","- C84 H96 B4 Cu2 F16 N16 O8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0715","0.0442","","","0.0839","0.0925","","","","","","1.025","","","","has coordinates,has disorder","292948","2024-07-05","15:21:34",""
"7248806","8.9408","0.0008","9.5997","0.0011","13.2336","0.0009","104.392","0.008","92.473","0.007","106.907","0.009","1044.43","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0667","","","0.1458","0.1626","","","","","","1.055","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248807","9.016","0.0008","9.6842","0.0007","13.7262","0.0008","69.875","0.006","80.108","0.007","72.626","0.007","1070.76","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0962","0.0845","","","0.2183","0.2317","","","","","","1.026","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248808","15.0482","0.0005","15.3209","0.0005","16.1054","0.0007","103.71","0.003","110.373","0.004","100.587","0.003","3234","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.333 H45.333 B2 Cu F8 N8 O1.333 -","- C41.3333 H45.3333 B2 Cu F8 N8 O1.33333 -","- C124 H136 B6 Cu3 F24 N24 O4 -","3","1.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0573","","","0.1353","0.1558","","","","","","1.038","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248809","8.8582","0.0004","9.5536","0.0007","13.4305","0.0009","105.47","0.006","92.908","0.005","107.642","0.005","1033.13","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0509","0.0442","","","0.0983","0.1036","","","","","","1.056","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248810","9.234","0.0006","9.995","0.0008","13.3246","0.0009","105.451","0.006","94.995","0.005","104.322","0.006","1132.98","0.15","100","2","100","2","","","","","","","1-butanol/n-hexane","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0861","0.0634","","","0.1504","0.1593","","","","","","1.182","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248811","9.3029","0.0007","9.9439","0.0008","14.3527","0.0011","73.234","0.007","73.473","0.007","73.13","0.007","1187.02","0.17","100","2","100","2","","","","","","","1-pentanol/diethyl ether","7","P -1","-P 1","2","","","","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0401","0.0347","","","0.0872","0.0922","","","","","","1.054","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248812","9.1101","0.0003","9.9335","0.0004","13.3316","0.0006","104.812","0.004","94.552","0.003","104.842","0.004","1113.82","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0557","0.0431","","","0.097","0.1051","","","","","","1.072","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248813","9.4113","0.0009","10.2218","0.0012","12.812","0.0012","87.054","0.009","75.179","0.009","70.705","0.01","1123.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0761","0.0565","","","0.138","0.1537","","","","","","1.061","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248814","8.95","0.003","9.655","0.003","13.284","0.004","73.31","0.03","87.75","0.02","72.57","0.03","1047.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1478","0.0891","","","0.2167","0.2647","","","","","","1.043","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248815","17.5681","0.0007","9.8878","0.0003","24.2057","0.0009","90","","96.253","0.003","90","","4179.8","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C155.2 H161.6 Cu4 F16 N35.2 O22.4 Si8 -","4","1","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0778","0.061","","","0.1546","0.1676","","","","","","1.061","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248816","8.7411","0.001","9.7698","0.0014","12.811","0.002","97.513","0.013","93.679","0.012","107.576","0.012","1027.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.064","0.0508","","","0.1155","0.1261","","","","","","1.06","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248817","9.2904","0.0012","9.9448","0.0016","14.0725","0.0019","110.2","0.013","94.866","0.011","105.768","0.012","1151.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0796","0.0565","","","0.1292","0.1503","","","","","","1.051","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248818","9.0724","0.0007","9.8173","0.0007","14.3397","0.0009","75.963","0.006","71.693","0.006","71.238","0.007","1133.8","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0496","0.0401","","","0.0911","0.1003","","","","","","1.015","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248819","9.2398","0.0007","9.9904","0.0009","12.6976","0.0012","78.043","0.008","85.634","0.007","73.908","0.007","1101.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1355","0.0898","","","0.2293","0.269","","","","","","1.02","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248820","8.7016","0.0006","9.8158","0.0008","12.9608","0.0014","96.464","0.008","96.268","0.008","106.15","0.007","1045.07","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1009","0.0855","","","0.2155","0.2269","","","","","","1.101","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248821","8.6393","0.0005","9.7696","0.0006","12.8911","0.0008","99.164","0.005","93.555","0.005","106.361","0.006","1024.08","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0619","0.0555","","","0.1438","0.15","","","","","","1.045","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248822","8.5831","0.0009","9.7612","0.0011","12.8928","0.0011","98.221","0.008","93.854","0.008","107.301","0.01","1013.8","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0703","0.0466","","","0.0922","0.1025","","","","","","1.033","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248823","11.1724","0.0004","12.347","0.0006","13.8235","0.0006","90","","90","","90","","1906.89","0.14","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C76 H71.6 B4 Cu2 F16 N18 O0.8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0543","0.0453","","","0.1162","0.1259","","","","","","1.021","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248826","7.1351","0.0003","24.6782","0.0007","7.2386","0.0003","90","","107.239","0.004","90","","1217.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cd Cl4 N -","- C7 H13 Cd Cl4 N -","- C28 H52 Cd4 Cl16 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1247","0.1025","","","0.2507","0.2752","","","","","","1.027","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248827","16.7102","0.0001","16.7102","0.0001","6.8101","0.0001","90","","90","","120","","1646.82","0.03","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1148","0.1135","","","0.2707","0.2733","","","","","","1.191","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248828","8.3125","0.0009","9.4931","0.0009","11.6083","0.0011","90","","90","","90","","916.03","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl2 N -","- C7 H13 Cl2 N -","- C28 H52 Cl8 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0742","0.0487","","","0.1255","0.1381","","","","","","1.032","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248829","16.8561","0.0013","16.8561","0.0013","6.8554","0.0005","90","","90","","120","","1686.9","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0681","0.0447","","","0.0953","0.1044","","","","","","0.998","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248830","8.3391","0.001","9.0572","0.001","15.2669","0.0017","91.249","0.003","100.527","0.003","93.264","0.003","1131.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 N4 O3 S -","- C23 H20 F4 N4 O3 S -","- C46 H40 F8 N8 O6 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0469","0.0357","","","0.0874","0.0946","","","","","","1.026","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248831","8.2956","0.0007","9.1182","0.0008","15.2824","0.0014","91.758","0.003","100.425","0.003","92.84","0.003","1134.57","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F4 N5 O2 S -","- C23 H18 F4 N5 O2 S -","- C46 H36 F8 N10 O4 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0697","0.041","","","0.088","0.1007","","","","","","1.013","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248832","11.6684","0.0009","12.5374","0.001","17.0985","0.0013","99.742","0.002","94.952","0.002","117.376","0.002","2150.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 F8 N9 O4 S2 -","- C44 H34 F8 N9 O4 S2 -","- C88 H68 F16 N18 O8 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0504","0.0387","","","0.0924","0.0992","","","","","","1.017","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248833","11.669","0.002","12.5","0.003","17.234","0.004","75.064","0.006","84.535","0.006","62.435","0.005","2152.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 F8 N8 O5 S2 -","- C44 H36 F8 N8 O5 S2 -","- C88 H72 F16 N16 O10 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0884","0.047","","","0.1057","0.1291","","","","","","1.026","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248834","16.8957","0.0007","16.0165","0.0007","16.5508","0.0007","90","","111.295","0.0017","90","","4173","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N O13 S U -","- C14 H21 N O13 S U -","- C112 H168 N8 O104 S8 U8 -","8","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0167","0.0153","","","0.0398","0.041","","","","","","1.07","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248835","8.4357","0.0004","10.8597","0.0005","10.93","0.0005","107.615","0.002","98.577","0.002","110.983","0.0019","852.93","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O8 U -","- C15 H19 N O8 U -","- C30 H38 N2 O16 U2 -","2","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0144","0.0139","","","0.0341","0.0343","","","","","","1.106","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248836","8.9441","0.0004","15.7697","0.0008","18.0045","0.001","90","","102.834","0.002","90","","2476","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O9 U -","- C20 H28 N2 O9 U -","- C80 H112 N8 O36 U4 -","4","2","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0332","0.0323","","","0.0704","0.0708","","","","","","1.165","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248837","11.5459","0.0008","7.6285","0.0005","23.9919","0.0018","90","","93.933","0.003","90","","2108.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O8 U -","- C20 H20 N2 O8 U -","- C80 H80 N8 O32 U4 -","4","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0448","0.0436","","","0.0949","0.0953","","","","","","1.443","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248838","8.8256","0.0006","9.8335","0.0007","10.6502","0.0008","69.704","0.003","77.981","0.003","74.084","0.002","827.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O8.5 U -","- C16 H14 N O8.5 U -","- C32 H28 N2 O17 U2 -","2","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0299","0.0274","","","0.0658","0.0684","","","","","","1.154","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248839","13.397","0.0004","13.1905","0.0004","23.2768","0.0006","90","","90","","90","","4113.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H18.5 N1.5 O10 U -","- C19 H18.5 N1.5 O10 U -","- C152 H148 N12 O80 U8 -","8","2","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0255","0.0246","","","0.0601","0.0606","","","","","","1.066","","","","has coordinates,has disorder","293798","2024-08-05","18:28:35",""
"7248840","8.3349","0.0003","12.2484","0.0003","24.361","0.0008","90","","94.5772","0.0015","90","","2479.06","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N4 O26 U4 -","- C40 H48 N4 O26 U4 -","- C80 H96 N8 O52 U8 -","2","0.5","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0291","0.0275","","","0.0602","0.0607","","","","","","1.336","","","","has coordinates,has disorder","293798","2024-08-05","18:28:35",""
"7248841","21.5579","0.0005","21.5579","0.0005","21.5579","0.0005","90","","90","","90","","10018.9","0.4","299","2","299.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H48 O67 Tb12 -","- C96 H48 O67 Tb12 -","- C192 H96 O134 Tb24 -","2","0.0104167","","Cao, Wenqian; Teng, Fangying; Cui, Yuanjing; Qian, Guodong","A lanthanide metal–organic framework containing a hydrazine group for highly sensitive luminescent sensing of formaldehyde gas","CrystEngComm","2024","26","28","3844","3850","10.1039/D4CE00406J","","","1.54178","CuKα","","0.0728","0.0693","","","0.1838","0.187","","","","","","1.071","","","","has coordinates","293786","2024-08-05","18:25:18",""
"7248842","9.522","0.0002","19.4852","0.0005","10.4691","0.0002","90","","103.704","0.001","90","","1887.12","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N11 O Zn -","- C18 H15 N11 O Zn -","- C72 H60 N44 O4 Zn4 -","4","1","","Wu, Jia-Xuan; Mo, Yi-Hong; Lin, Xian; Zhou, Bing-Xun; Cai, Song-Liang; Fan, Jun; Xie, Mu-Biao; Zheng, Sheng-Run","A luminescent Zn(ii) coordination polymer based on a new tetrazolyl–benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water","CrystEngComm","2024","26","27","3736","3743","10.1039/D4CE00445K","","","1.54178","CuKα","","0.0758","0.0723","","","0.1866","0.1926","","","","","","1.104","","","","has coordinates","293792","2024-08-05","18:26:35",""
"7248843","9.5474","0.0005","20.9047","0.001","12.6813","0.0008","90","","92.922","0.005","90","","2527.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 N2 O6 Pr -","- C62 H51 N2 O6 Pr -","- C124 H102 N4 O12 Pr2 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Congli; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescence and nonlinear optical properties","CrystEngComm","2024","26","28","3867","3873","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0384","0.0284","","","0.0312","0.0319","","","","","","0.894","","","","has coordinates","293790","2024-08-05","18:26:10",""
"7248844","9.5036","0.0004","20.7058","0.0008","12.7856","0.0009","90","","92.003","0.005","90","","2514.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 Ho N2 O6 -","- C62 H51 Ho N2 O6 -","- C124 H102 Ho2 N4 O12 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Congli; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescence and nonlinear optical properties","CrystEngComm","2024","26","28","3867","3873","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0376","0.0288","","","0.0432","0.044","","","","","","1.024","","","","has coordinates","293790","2024-08-05","18:26:11",""
"7248845","7.5146","0.0003","10.6915","0.0005","12.0434","0.0005","103.512","0.002","103.72","0.002","106.57","0.002","852.48","0.07","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","1","0.5","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0336","0.0276","","","0.0637","0.0655","","","","","","1.0287","","","","has coordinates","293795","2024-08-05","18:27:19",""
"7248846","9.2339","0.0004","13.5275","0.0007","14.9019","0.0008","105.866","0.002","107.532","0.002","94.354","0.002","1681.72","0.15","105","","105","","","","","","","","","8","P -1","-P 1","2","","TNS ZnCN4","","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C62 H40 Cl4 F12 N8 O2 S4 Zn2 -","2","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0669","0.0431","","","0.0827","0.0936","","","","","","1.02","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248847","10.201","0.0005","11.0689","0.0011","11.4836","0.0012","115.214","0.002","97.954","0.002","104.048","0.002","1094","0.17","105","","105","","","","","","","","","7","P 1","P 1","1","","JL-005c","","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","1","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0404","0.0316","","","0.0669","0.071","","","","","","1.037","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248848","38.63","0.005","14.822","0.002","18.028","0.002","90","","101.077","0.004","90","","10130","2","105","","105","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H24 F9 N8 S3 W -","- C47 H24 F9 N8 S3 W -","- C376 H192 F72 N64 S24 W8 -","8","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0396","0.027","","","0.0613","0.0652","","","","","","1.04","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248867","7.0554","0.0004","7.0554","0.0004","5.3478","0.0003","90","","90","","120","","230.54","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.19I0.81","","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0353","0.0353","","","","","","1.097","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248868","6.9445","0.0009","6.9445","0.0009","5.3334","0.0005","90","","90","","120","","222.75","0.05","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.27I0.73","","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0263","0.0263","","","0.0667","0.0667","","","","","","1.081","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248869","6.8337","0.0005","6.8337","0.0005","5.3349","0.0003","90","","90","","120","","215.76","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.64I0.36","","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0533","0.0525","","","0.1272","0.1275","","","","","","1.077","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248870","6.8015","0.0006","6.8015","0.0006","5.3298","0.0004","90","","90","","120","","213.53","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.74I0.26","","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0436","0.0436","","","0.1136","0.1136","","","","","","1.206","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248871","6.7014","0.0005","6.7014","0.0005","5.3164","0.0003","90","","90","","120","","206.77","0.02","112","","112","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20_112K","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0313","0.0313","","","0.0715","0.0715","","","","","","1.141","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248872","6.6645","0.0005","6.6645","0.0005","5.3238","0.0004","90","","90","","120","","204.78","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHCl0.03Br0.97","","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0351","0.0333","","","0.0842","0.0846","","","","","","1.161","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248873","6.7541","0.0006","6.7541","0.0006","5.3383","0.0004","90","","90","","120","","210.9","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0394","0.0389","","","0.093","0.0933","","","","","","1.114","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248874","6.6793","0.0006","6.6793","0.0006","5.3178","0.0005","90","","90","","120","","205.46","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.95I0.05","","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0327","0.0314","","","0.0717","0.0723","","","","","","1.08","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248875","6.6949","0.0004","6.6949","0.0004","5.3265","0.0004","90","","90","","120","","206.76","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.90I0.10","","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0155","0.0155","","","0.0427","0.0427","","","","","","1.24","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248876","19.924","0.008","4.4267","0.0018","20.419","0.008","90","","113.293","0.009","90","","1654.1","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 I2 N4 O2 -","- C13 H8 F4 I2 N4 O2 -","- C52 H32 F16 I8 N16 O8 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.0453","0.0306","","","0.0676","0.0748","","","","","","1.021","","","","has coordinates","293799","2024-08-05","18:28:47",""
"7248877","4.0269","0.0018","7.451","0.003","20.66","0.009","82.022","0.008","88.669","0.008","80.671","0.009","605.8","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","1","0.5","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.085","0.0529","","","0.1238","0.141","","","","","","1.008","","","","has coordinates","293799","2024-08-05","18:28:48",""
"7248878","21.904","0.018","4.044","0.004","25.87","0.02","90","","110.9","0.02","90","","2141","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 I N8 O4 -","- C19 H20 F2 I N8 O4 -","- C76 H80 F8 I4 N32 O16 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","","0.71073","MoKα","","0.1566","0.0715","","","0.1398","0.1686","","","","","","0.97","","","","has coordinates","293799","2024-08-05","18:28:48",""
"7248879","13.7978","0.0007","14.4468","0.0008","16.7912","0.0009","77.112","0.002","80.384","0.002","67.4","0.002","2999.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.85 H54.65 N6.95 O16.95 Zn2 -","- C65.135 H55.315 N7.045 O17.045 Zn2 -","- C130.27 H110.63 N14.09 O34.09 Zn4 -","2","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","26","27","3665","3671","10.1039/D4CE00332B","","","0.71073","MoKα","","0.0856","0.0541","","","0.1382","0.1609","","","","","","1.068","","","","has coordinates,has disorder","293797","2024-08-05","18:27:48",""
"7248880","48.175","0.003","21.8096","0.0012","16.2927","0.001","90","","101.066","0.002","90","","16800.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H58 Co3 N8 O21 -","- C65 H58 Co3 N8 O21 -","- C520 H464 Co24 N64 O168 -","8","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","26","27","3665","3671","10.1039/D4CE00332B","","","0.71073","MoKα","","0.1042","0.0788","","","0.2487","0.2768","","","","","","1.065","","","","has coordinates","293797","2024-08-05","18:27:49",""
"7248881","6.98","0.0014","9.04","0.0018","10.34","0.002","83.62","0.03","81.85","0.03","77.85","0.03","629.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N2 O4 P -","- C12 H13 N2 O4 P -","- C24 H26 N4 O8 P2 -","2","1","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0453","0.0399","","","0.1037","0.1072","","","","","","1.055","","","","has coordinates","292949","2024-07-05","15:21:56",""
"7248882","12.803","0.003","16.333","0.003","14.884","0.003","90","","112.62","0.03","90","","2873","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Co F4 N8 O4 -","- C28 H22 B Co F4 N8 O4 -","- C112 H88 B4 Co4 F16 N32 O16 -","4","1","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0787","0.055","","","0.1382","0.1538","","","","","","1.02","","","","has coordinates","292949","2024-07-05","15:21:56",""
"7248883","20.379","0.004","20.997","0.004","20.579","0.004","90","","92.08","0.03","90","","8800","3","100","2","100","2","","","","","","","","8","I 1 2 1","I 2y","5","","","","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C308 H276 B12 Co10 F48 N48 O32 P8 -","2","0.5","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0652","0.0613","","","0.1604","0.1645","","","","","","1.027","","","","has coordinates,has disorder","292949","2024-07-05","15:21:57",""
"7248884","12.371","0.008","13.385","0.007","17.69","0.002","93.64","0.01","105.06","0.02","91.16","0.01","2821","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 Cl2 N10 O13 -","- C53 H64 Cl2 N10 O13 -","- C106 H128 Cl4 N20 O26 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Polymorphism, phase transition, and physicochemical property investigation of Ensifentrine","CrystEngComm","2024","26","28","3783","3790","10.1039/D4CE00410H","","","0.71073","MoKα","","0.1833","0.0751","","","0.1888","0.2536","","","","","","1.11","","","","has coordinates","293788","2024-08-05","18:25:43",""
"7248888","10.7947","0.0006","13.2243","0.0009","18.4212","0.0011","90","","90","","90","","2629.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O18 Sc2 -","- C17 H29 N3 O18 Sc2 -","- C68 H116 N12 O72 Sc8 -","4","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","26","26","3463","3467","10.1039/D4CE00542B","","x-ray","0.71073","MoKα","","0.0657","0.0434","","","0.1027","0.1137","","","","","","1.062","","","","has coordinates","292950","2024-07-05","15:22:10",""
"7248889","8.4592","0.0005","16.8623","0.0005","8.8757","0.0004","90","","99.942","0.005","90","","1247.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 In2 N3 O16 -","- C17 H25 In2 N3 O16 -","- C34 H50 In4 N6 O32 -","2","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","26","26","3463","3467","10.1039/D4CE00542B","","","0.71073","MoKα","","0.0198","0.0188","","","0.0463","0.0466","","","","","","1.044","","","","has coordinates","292950","2024-07-05","15:22:10",""
"7248890","13.4041","0.0002","14.4617","0.0002","18.2115","0.0003","73.8223","0.0013","87.3313","0.0013","87.7248","0.0012","3385.45","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Tb -","- C36 H68 Eu N31 O49 Tb -","- C72 H136 Eu2 N62 O98 Tb2 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","x-ray","0.71073","MoKα","","0.0335","0.0263","","","0.0567","0.0603","","","","","","1.03","","","","has coordinates,has disorder","293782","2024-08-05","18:24:09",""
"7248891","13.409","0.0005","14.4887","0.0005","18.21","0.0008","73.8529","0.0014","87.2751","0.0014","87.7447","0.0012","3393.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C72 H136 Eu2.8 Ho1.2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.1019","0.0569","","","0.1165","0.1369","","","","","","1.163","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248892","14.4113","0.0006","13.6182","0.0007","18.047","0.0009","90","","105.589","0.0016","90","","3411.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 Nd O49 -","- C36 H68 Eu N31 Nd O49 -","- C72 H136 Eu2 N62 Nd2 O98 -","2","0.5","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0455","0.0408","","","0.1128","0.1173","","","","","","1.118","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248893","14.42","0.0005","13.589","0.0004","17.9538","0.0006","90","","105.683","0.0013","90","","3387.14","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","0.5","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0425","0.0295","","","0.0675","0.0714","","","","","","1.03","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248894","13.4267","0.0003","14.4721","0.0004","18.2429","0.0004","73.8016","0.001","87.3486","0.001","87.8007","0.0011","3399.26","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu Gd N31 O49 -","- C36 H68 Eu Gd N31 O49 -","- C72 H136 Eu2 Gd2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0516","0.0453","","","0.101","0.1035","","","","","","1.203","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248895","13.4214","0.0005","14.4818","0.0006","18.2079","0.0007","73.8732","0.0013","87.4439","0.0013","87.9242","0.0012","3395.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Dy Eu N31 O49 -","- C36 H68 Dy Eu N31 O49 -","- C72 H136 Dy2 Eu2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0735","0.0613","","","0.149","0.1558","","","","","","1.031","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248896","13.4418","0.0004","14.4661","0.0004","18.2775","0.0006","73.8147","0.001","87.3845","0.0011","87.814","0.0009","3408.45","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.059","0.047","","","0.1221","0.1281","","","","","","1.063","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248898","21.2717","0.0005","16.4895","0.0003","26.0856","0.0007","90","","113.723","0.003","90","","8376.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C93 H75 Dy2 N3 O15 -","- C93 H75 Dy2 N3 O15 -","- C372 H300 Dy8 N12 O60 -","4","1","","Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing","Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions","CrystEngComm","2024","26","30","4057","4072","10.1039/D4CE00556B","","","1.54184","CuKα","","0.0838","0.0603","","","0.159","0.1756","","","","","","1.092","","","","has coordinates,has disorder","293805","2024-08-05","18:30:29",""
"7248899","40.69949","0.00012","18.17532","0.00006","25.71644","0.00009","90","","100.858","0.0003","90","","18682.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C204 H195 Dy4 N9 O36 -","- C204 H195 Dy4 N9 O36 -","- C816 H780 Dy16 N36 O144 -","4","1","","Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing","Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions","CrystEngComm","2024","26","30","4057","4072","10.1039/D4CE00556B","","","1.54184","CuKα","","0.0348","0.0321","","","0.097","0.0986","","","","","","1.162","","","","has coordinates,has disorder","293805","2024-08-05","18:30:30",""
"7248900","27.3822","0.0006","5.36939","0.00011","25.8726","0.0006","90","","102.224","0.002","90","","3717.69","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 Hg N6 O5 S3 -","- C24 H34 Cl2 Hg N6 O5 S3 -","- C96 H136 Cl8 Hg4 N24 O20 S12 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.041","0.0296","","","0.0589","0.0632","","","","","","1.033","","","","has coordinates,has disorder","293804","2024-08-05","18:30:13",""
"7248901","5.55696","0.00009","33.2718","0.0006","22.0194","0.0005","90","","94.9947","0.0015","90","","4055.71","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Hg I2 N6 O6 S4 -","- C26 H40 Hg I2 N6 O6 S4 -","- C104 H160 Hg4 I8 N24 O24 S16 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.0659","0.0585","","","0.1282","0.1315","","","","","","1.135","","","","has coordinates","293804","2024-08-05","18:30:14",""
"7248902","27.8834","0.0012","5.3776","0.0002","26.0063","0.0011","90","","103.308","0.004","90","","3794.8","0.3","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Br2 Hg N6 O5 S3 -","- C24 H34 Br2 Hg N6 O5 S3 -","- C96 H136 Br8 Hg4 N24 O20 S12 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.0499","0.0378","","","0.0894","0.096","","","","","","1.04","","","","has coordinates,has disorder","293804","2024-08-05","18:30:14",""
"7248903","22.9","0.005","12.187","0.002","52.643","0.011","90","","98.41","0.03","90","","14534","5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H168 Cl10 Fe2 N4 O14 -","- C135 H168 Cl10 Fe2 N4 O14 -","- C540 H672 Cl40 Fe8 N16 O56 -","4","1","","Strelnikova, Iuliia V.; Shutilov, Ilya D.; Ovsyannikov, Alexander S.; Islamov, Daut R.; Pyataev, Andrew V.; Gerasimova, Tatiana P.; Khamatgalimov, Ayrat R.; Khrizanforov, Mikhail N.; Gubaidullin, Aidar T.; Burilov, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.","Elucidating the role of the o-methoxy group in the lower rim appended salicylideneamine substituents of calix[4]arene ligands on the molecular and electronic structures of dinuclear Fe(iii)-based diamond-core complexes","CrystEngComm","2024","26","29","3973","3988","10.1039/D4CE00347K","","","0.7454","synchrotron","","0.2338","0.1214","","","0.3118","0.3953","","","","","","1.059","","","","has coordinates,has disorder","293781","2024-08-05","18:23:38",""
"7248905","10.4643","0.0011","10.4975","0.0011","13.6002","0.0014","98.159","0.003","104.074","0.003","111.527","0.003","1303.1","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cs3 N12 O15 -","- C12 H15 Cs3 N12 O15 -","- C24 H30 Cs6 N24 O30 -","2","1","","Wang, Xinyue; Wang, Dandan; Liu, Yujie; Wang, Jinhui","Alkali-metal isocyanurate Cs3(H2C3N3O3)3(H3C3N3O3)·3H2O: synthesis and characterization","CrystEngComm","2024","26","29","3948","3953","10.1039/D4CE00497C","","","0.71073","MoKα","","0.0837","0.0402","","","0.0563","0.0692","","","","","","1.046","","","","has coordinates","293779","2024-08-05","18:23:14",""
"7248906","10.1","0.015","13.66","0.02","17.31","0.03","101.538","0.019","93.524","0.019","102.071","0.019","2275","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Cd2 N8 O9 -","- C41 H28 Cd2 N8 O9 -","- C82 H56 Cd4 N16 O18 -","2","1","","Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiao-Yan; Ma, Yun-Sheng; Yin, Wen-Yu; Cheng, Hong-Jian","Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(ii) metal–organic frameworks","CrystEngComm","2024","26","30","4048","4056","10.1039/D4CE00469H","","","0.71073","MoKα","","0.0592","0.0387","","","0.103","0.1263","","","","","","1.088","","","","has coordinates,has disorder","293802","2024-08-05","18:29:50",""
"7248907","13.257","0.002","13.927","0.003","15.53","0.003","63.623","0.003","83.819","0.003","81.009","0.003","2534.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Cd4 N17 O23 -","- C108 H84 Cd4 N17 O23 -","- C108 H84 Cd4 N17 O23 -","1","0.5","","Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiao-Yan; Ma, Yun-Sheng; Yin, Wen-Yu; Cheng, Hong-Jian","Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(ii) metal–organic frameworks","CrystEngComm","2024","26","30","4048","4056","10.1039/D4CE00469H","","","0.71073","MoKα","","0.0695","0.059","","","0.1649","0.2027","","","","","","1.015","","","","has coordinates","293802","2024-08-05","18:29:50",""
"7248908","9.5381","0.0001","11.076","0.0001","18.5558","0.0002","97.365","0.001","102.275","0.001","93.924","0.001","1890.41","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H42 O2 -","- C50 H42 O2 -","- C100 H84 O4 -","2","1","","Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko","Comprehensive analysis of C–H⋯π(alkyne) interactions in the crystal packing of diastereomers of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene","CrystEngComm","2024","26","29","3964","3972","10.1039/D4CE00495G","","x-ray","1.54184","CuKα","","0.0415","0.038","","","0.1001","0.1026","","","","","","1.076","","","","has coordinates","293784","2024-08-05","18:24:46",""
"7248909","13.4062","0.0001","13.48","0.0001","20.5669","0.0002","90","","90","","90","","3716.76","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 O2 -","- C50 H42 O2 -","- C200 H168 O8 -","4","1","","Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko","Comprehensive analysis of C–H⋯π(alkyne) interactions in the crystal packing of diastereomers of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene","CrystEngComm","2024","26","29","3964","3972","10.1039/D4CE00495G","","x-ray","1.54184","CuKα","","0.0317","0.0296","","","0.0732","0.0746","","","","","","1.06","","","","has coordinates","293784","2024-08-05","18:24:46",""
"7248921","10.3636","0.0017","11.0274","0.0016","11.175","0.0017","85.893","0.005","76.937","0.005","63.663","0.005","1114.3","0.3","304","","304","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O12 Tb -","- C12 H12 O12 Tb -","- C24 H24 O24 Tb2 -","2","1","","Yang, Shun-Yi; Zhang, Qian; Zhang, Yang-Lu; Tan, Tie-Shen; Zhu, Junlun; Yang, Xiaodong; Shi, Le; Yang, Jiong; Shao, Dong","Highly proton-conducting lanthanide metal–organic frameworks featuring highly oxygenated ligands with slow magnetic relaxation or magnetocaloric effect","CrystEngComm","2024","26","31","4181","4189","10.1039/D4CE00501E","","","0.71073","MoKα","","0.0204","0.0184","","","0.0443","0.0448","","","","","","1.084","","","","has coordinates","294521","2024-09-06","00:17:18",""
"7248922","10.766","0.004","11.043","0.003","11.24","0.004","89.621","0.014","80.36","0.02","64.452","0.014","1185.4","0.7","306","","306","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Gd2 O24 -","- C24 H24 Gd2 O24 -","- C24 H24 Gd2 O24 -","1","0.5","","Yang, Shun-Yi; Zhang, Qian; Zhang, Yang-Lu; Tan, Tie-Shen; Zhu, Junlun; Yang, Xiaodong; Shi, Le; Yang, Jiong; Shao, Dong","Highly proton-conducting lanthanide metal–organic frameworks featuring highly oxygenated ligands with slow magnetic relaxation or magnetocaloric effect","CrystEngComm","2024","26","31","4181","4189","10.1039/D4CE00501E","","","0.71073","MoKα","","0.0284","0.0275","","","0.0681","0.0685","","","","","","1.114","","","","has coordinates","294521","2024-09-06","00:17:18",""
"7248923","26.8255","0.0016","9.3424","0.0006","13.8939","0.0008","90","","93.608","0.002","90","","3475.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N14 O7 Pb2 -","- C29 H32 N14 O7 Pb2 -","- C116 H128 N56 O28 Pb8 -","4","0.5","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Labisbal, Elena; Castiñeiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","A lead(ii)–N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor","CrystEngComm","2024","26","31","4205","4213","10.1039/D4CE00562G","","","0.71073","MoKα","","0.0164","0.0143","","","0.0344","0.0353","","","","","","1.062","","","","has coordinates","294524","2024-09-06","00:17:43",""
"7248924","6.8963","0.0002","10.2829","0.0003","12.8595","0.0004","76.412","0.003","83.264","0.002","70.536","0.003","834.98","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br N -","- C20 H18 Br N -","- C40 H36 Br2 N2 -","2","1","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.082","0.0852","","","","","","1.192","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248925","9.6895","0.0003","9.7559","0.0004","10.9467","0.0003","97.487","0.003","105.034","0.003","118.199","0.004","840.99","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Br2 N2 O2 -","- C40 H40 Br2 N2 O2 -","- C40 H40 Br2 N2 O2 -","1","0.5","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.0415","0.034","","","0.0719","0.0741","","","","","","1.056","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248926","12.1902","0.0004","15.9154","0.0005","18.7119","0.0007","69.469","0.003","73.203","0.003","89.616","0.003","3236.5","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Br2 N2 O1.5 -","- C38 H41 Br2 N2 O1.5 -","- C152 H164 Br8 N8 O6 -","4","2","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.096","0.0615","","","0.1386","0.1566","","","","","","1.039","","","","has coordinates","293791","2024-08-05","18:26:23",""
"7248927","12.277","0.0005","16.0596","0.0007","18.7305","0.0015","68.905","0.006","71.723","0.006","89.945","0.003","3245.5","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H82 Br4 N4 O3 -","- C76 H82 Br4 N4 O3 -","- C152 H164 Br8 N8 O6 -","2","1","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.1732","0.0939","","","0.202","0.241","","","","","","1.054","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248931","4.9752","0.0006","15.7038","0.0018","7.0385","0.001","90","","107.756","0.004","90","","523.72","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C H5 N7 -","- C H5 N7 -","- C4 H20 N28 -","4","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0453","0.0341","","","0.0805","0.0855","","","","","","1.09","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248932","4.8465","0.0004","9.6906","0.0007","16.5974","0.0012","90","","92.765","0.002","90","","778.6","0.1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N8 O -","- C3 H8 N8 O -","- C12 H32 N32 O4 -","4","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0573","0.0404","","","0.0929","0.1013","","","","","","1.04","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248933","6.45","0.005","12.008","0.01","12.141","0.011","90","","102.19","0.03","90","","919.1","1.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C12 H32 N40 O4 -","4","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.141","0.0625","","","0.112","0.1341","","","","","","1.034","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248934","3.9161","0.0005","9.7152","0.0011","12.5718","0.0014","84.813","0.003","86.135","0.004","83.993","0.004","472.92","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H9 N7 -","- C7 H9 N7 -","- C14 H18 N14 -","2","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0969","0.0547","","","0.1222","0.1373","","","","","","1.043","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248935","5.2112","0.0015","7.849","0.002","7.88","0.003","78.116","0.009","76.103","0.01","73.73","0.009","297.01","0.16","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N6 O2 -","- C2 H6 N6 O2 -","- C4 H12 N12 O4 -","2","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0346","0.0315","","","0.0833","0.0855","","","","","","1.08","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248936","13.629","0.001","6.5997","0.0006","7.4672","0.0005","90","","90","","90","","671.65","0.09","273.15","","273.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 H7 N7 -","- C2 H7 N7 -","- C8 H28 N28 -","4","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0687","0.0444","","","0.1078","0.123","","","","","","1.0424","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248937","7.0037","0.0015","7.0175","0.0015","7.7191","0.0016","90","","96.937","0.007","90","","376.6","0.14","273.15","","273.15","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N7 -","- C4 H9 N7 -","- C8 H18 N14 -","2","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0881","0.058","","","0.1201","0.1406","","","","","","1.0564","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248938","10.4752","0.0015","10.9876","0.0015","14.3813","0.0019","110.378","0.004","107.663","0.004","92.224","0.005","1459","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Ag3 Br5 Cu2 N4 O2 -","- C24 H16 Ag3 Br5 Cu2 N4 O2 -","- C48 H32 Ag6 Br10 Cu4 N8 O4 -","2","1","","Tian, Yiming; Ren, Taohong; Zhu, Hongjin; Jia, Dingxian","Bromoargentate/g-C3N4 heterojunction by in situ growth: 2-D bromoargentate framework with a transition metal complex linker and cocatalyst for enhanced photocatalytic activity via g-C3N4 hybrid","CrystEngComm","2024","26","29","3911","3919","10.1039/D4CE00510D","","","0.71073","MoKα","","0.0654","0.0482","","","0.1311","0.1428","","","","","","1.093","","","","has coordinates","293780","2024-08-05","18:23:22",""
"7248939","14.9709","0.0002","16.1263","0.0002","19.5465","0.0002","94.167","0.001","92.28","0.001","94.475","0.001","4687.29","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106.83 H87.83 Cl2.49 N5 O16 S4 -","- C106.83 H87.83 Cl2.49 N5 O16 S4 -","- C213.66 H175.66 Cl4.98 N10 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.0617","0.0552","","","0.1463","0.1515","","","","","","1.036","","","","has coordinates,has disorder","293783","2024-08-05","18:24:36",""
"7248940","15.8232","0.0003","17.3859","0.0004","18.8448","0.0004","98.147","0.002","101.223","0.002","100.842","0.002","4908","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C115.9 H97.6 N4 O16 S4 -","- C115.9 H97.6 N4 O16 S4 -","- C231.8 H195.2 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.1029","0.0652","","","0.1691","0.1906","","","","","","1.011","","","","has coordinates,has disorder","293783","2024-08-05","18:24:36",""
"7248941","13.5849","0.0014","18.286","0.002","18.8373","0.0016","76.759","0.009","71.398","0.009","83.702","0.009","4313.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 N4 O16 S4 -","- C104 H84 N4 O16 S4 -","- C208 H168 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.3457","0.1022","","","0.1385","0.2012","","","","","","0.981","","","","has coordinates","293783","2024-08-05","18:24:36",""
"7248942","14.8576","0.0002","16.0928","0.0002","19.4965","0.0003","93.281","0.001","91.735","0.001","96.104","0.001","4624.49","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104.74 H84.74 Cl2.22 N4 O16 S4 -","- C104.74 H84.74 Cl2.22 N4 O16 S4 -","- C209.48 H169.48 Cl4.44 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.0576","0.0518","","","0.1395","0.1437","","","","","","1.042","","","","has coordinates,has disorder","293783","2024-08-05","18:24:37",""
"7248946","11.3018","0.0005","13.3845","0.0006","14.5613","0.0004","96.292","0.003","99.214","0.003","107.796","0.004","2040.55","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F9 N10 O9 S3 Yb -","- C25 H26 F9 N10 O9 S3 Yb -","- C50 H52 F18 N20 O18 S6 Yb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0619","0.0558","","","0.1592","0.1628","","","","","","1.305","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248947","10.8093","0.0005","17.0375","0.0005","19.6847","0.0005","90","","90","","90","","3625.2","0.2","100","1","100","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 O9 S3 Sm -","- C25 H26 F9 N10 O9 S3 Sm -","- C100 H104 F36 N40 O36 S12 Sm4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0253","0.025","","","0.066","0.0661","","","","","","1.045","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248948","10.9258","0.0003","17.1974","0.0004","19.8714","0.0006","90","","90","","90","","3733.74","0.18","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 O9 Pr S3 -","- C25 H26 F9 N10 O9 Pr S3 -","- C100 H104 F36 N40 O36 Pr4 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0434","0.0314","","","0.077","0.082","","","","","","1.035","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248949","10.9423","0.0002","17.2695","0.0004","19.9168","0.0004","90","","90","","90","","3763.64","0.13","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 La N10 O9 S3 -","- C25 H26 F9 La N10 O9 S3 -","- C100 H104 F36 La4 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.54178","CuKα","","0.0516","0.0457","","","0.1218","0.128","","","","","","1.054","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248950","10.8953","0.0002","17.106","0.0003","19.8121","0.0005","90","","90","","90","","3692.48","0.13","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 Eu F9 N10 O9 S3 -","- C25 H26 Eu F9 N10 O9 S3 -","- C100 H104 Eu4 F36 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0286","0.0257","","","0.0659","0.068","","","","","","1.038","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248951","8.3705","0.0007","9.3039","0.0007","12.7182","0.0009","102.222","0.006","103.692","0.007","102.763","0.006","901.39","0.13","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 Er N8 O10 -","- C11 H15 Er N8 O10 -","- C22 H30 Er2 N16 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0648","0.0572","","","0.1485","0.1539","","","","","","1.234","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248952","8.1752","0.0005","11.5352","0.0009","13.1045","0.001","66.989","0.007","72.978","0.006","85.535","0.005","1086.69","0.15","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 O10 Yb -","- C14 H20 N9 O10 Yb -","- C28 H40 N18 O20 Yb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.058","0.049","","","0.1587","0.1615","","","","","","1.39","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248953","10.9002","0.0006","17.0907","0.0012","19.8139","0.0008","90","","90","","90","","3691.2","0.4","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 Gd N10 O9 S3 -","- C25 H26 F9 Gd N10 O9 S3 -","- C100 H104 F36 Gd4 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0652","0.0545","","","0.1502","0.1565","","","","","","1.069","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248954","8.2029","0.0007","10.4813","0.0009","12.4024","0.0007","97.826","0.006","96.891","0.006","100.152","0.007","1028.45","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Dy N8 O11 -","- C12 H19 Dy N8 O11 -","- C24 H38 Dy2 N16 O22 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.024","0.0214","","","0.0483","0.0494","","","","","","1.056","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248955","10.9049","0.0004","15.0238","0.0004","27.3563","0.0009","90","","100.35","0.004","90","","4408.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Er F9 N10 O11 S3 -","- C27 H34 Er F9 N10 O11 S3 -","- C108 H136 Er4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0754","0.0701","","","0.1698","0.1731","","","","","","1.124","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248956","8.24","0.0004","10.5276","0.0006","12.3755","0.0006","98.043","0.004","96.749","0.004","100.129","0.005","1035.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N8 O11 Tb -","- C12 H19 N8 O11 Tb -","- C24 H38 N16 O22 Tb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0459","0.0451","","","0.1302","0.1313","","","","","","1.085","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248957","19.0497","0.0005","10.3198","0.0002","21.3425","0.0005","90","","102.668","0.002","90","","4093.57","0.17","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F9 N11 O9 S3 Tb -","- C27 H26 F9 N11 O9 S3 Tb -","- C108 H104 F36 N44 O36 S12 Tb4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0758","0.0688","","","0.2057","0.2111","","","","","","1.446","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248958","8.2733","0.0004","11.4426","0.0007","13.5163","0.0007","109.919","0.006","106.972","0.004","93.483","0.004","1132.21","0.12","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 La N9 O10 -","- C14 H20 La N9 O10 -","- C28 H40 La2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0227","0.0218","","","0.0683","0.0691","","","","","","1.118","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248959","8.1238","0.0003","10.5711","0.0007","12.636","0.0005","99.359","0.004","97.224","0.004","100.751","0.004","1038.18","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C12.5 H19 N8 O10.5 Pr -","- C12.5 H19 N8 O10.5 Pr -","- C25 H38 N16 O21 Pr2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","0.71073","MoKα","","0.0236","0.0226","","","0.0624","0.063","","","","","","1.08","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248960","8.9742","0.0004","14.034","0.0005","15.8971","0.0006","90","","92.838","0.004","90","","1999.69","0.14","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H29 F9 N11 O9 Pr S3 -","- C27 H29 F9 N11 O9 Pr S3 -","- C54 H58 F18 N22 O18 Pr2 S6 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0394","0.0368","","","0.0866","0.0897","","","","","","1.071","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248961","8.1537","0.0003","10.4239","0.0004","12.3673","0.0003","96.71","0.003","98.034","0.003","100.381","0.004","1012.84","0.06","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N8 O11 Sm -","- C12 H19 N8 O11 Sm -","- C24 H38 N16 O22 Sm2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0239","0.0207","","","0.0451","0.0462","","","","","","1.042","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248962","8.2808","0.0004","11.2432","0.0006","13.2986","0.0009","68.357","0.006","72.061","0.005","87.716","0.004","1091.08","0.12","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Ho N9 O10 -","- C14 H20 Ho N9 O10 -","- C28 H40 Ho2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","0.71073","MoKα","","0.0284","0.0264","","","0.0641","0.0656","","","","","","1.086","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248963","18.775","0.0007","10.2574","0.0002","21.0038","0.0006","90","","101.76","0.003","90","","3960.1","0.2","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 F9 Ho N11 O9 S3 -","- C27 H29 F9 Ho N11 O9 S3 -","- C108 H116 F36 Ho4 N44 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0592","0.0531","","","0.1389","0.1409","","","","","","1.967","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248964","8.395","0.0004","12.7332","0.0006","16.9061","0.0009","71.362","0.005","80.611","0.004","76.595","0.004","1657.96","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N14 O13 Tm -","- C23 H31 N14 O13 Tm -","- C46 H62 N28 O26 Tm2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0607","0.0593","","","0.163","0.1643","","","","","","1.097","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248965","10.917","0.0003","14.9827","0.0003","26.8953","0.001","90","","100.184","0.003","90","","4329.9","0.2","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Dy F9 N10 O11 S3 -","- C27 H34 Dy F9 N10 O11 S3 -","- C108 H136 Dy4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.1176","0.0867","","","0.1764","0.1831","","","","","","1.711","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248966","8.2937","0.0017","11.3355","0.0015","13.441","0.003","110.013","0.016","107.641","0.018","92.604","0.014","1115.7","0.4","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Gd N9 O10 -","- C14 H20 Gd N9 O10 -","- C28 H40 Gd2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0276","0.0239","","","0.0549","0.0561","","","","","","1.046","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248967","8.1426","0.0004","10.4679","0.0008","12.4743","0.0007","98.188","0.006","97.531","0.004","100.576","0.005","1020.95","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Eu N8 O11 -","- C12 H19 Eu N8 O11 -","- C24 H38 Eu2 N16 O22 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0391","0.0353","","","0.0807","0.0828","","","","","","1.074","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248968","8.3168","0.0005","11.388","0.0006","13.4939","0.0008","110.119","0.005","107.6","0.005","92.758","0.005","1127.23","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 Nd O10 -","- C14 H20 N9 Nd O10 -","- C28 H40 N18 Nd2 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0166","0.0156","","","0.038","0.0384","","","","","","1.083","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248969","10.7762","0.0002","17.0625","0.0002","19.6569","0.0003","90","","90","","90","","3614.29","0.1","100","1","100","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 Nd O9 S3 -","- C25 H26 F9 N10 Nd O9 S3 -","- C100 H104 F36 N40 Nd4 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0222","0.0214","","","0.0518","0.0524","","","","","","1.059","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248970","10.9638","0.0004","15.0249","0.0007","26.8438","0.0015","90","","99.705","0.005","90","","4358.7","0.4","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 F9 N10 O11 S3 Tb -","- C27 H34 F9 N10 O11 S3 Tb -","- C108 H136 F36 N40 O44 S12 Tb4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.1027","0.0963","","","0.2055","0.2088","","","","","","1.142","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248971","7.1754","0.0004","9.5801","0.0005","11.495","0.0006","74.019","0.005","71.999","0.005","73.388","0.005","704.82","0.07","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br N5 O -","- C12 H18 Br N5 O -","- C24 H36 Br2 N10 O2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0468","0.0464","","","0.1253","0.1258","","","","","","1.093","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248972","9.0968","0.0009","11.959","0.0008","17.1192","0.0012","86.084","0.006","75.282","0.007","83.71","0.007","1788.8","0.3","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl3 N11 O13 Tb -","- C24 H31 Cl3 N11 O13 Tb -","- C48 H62 Cl6 N22 O26 Tb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.1362","0.0745","","","0.1365","0.1654","","","","","","0.877","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248973","23.9529","0.0011","11.3128","0.0004","9.2768","0.0004","90","","90","","90","","2513.78","0.18","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H22 Lu N9 O10 S -","- C15 H22 Lu N9 O10 S -","- C60 H88 Lu4 N36 O40 S4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","1.54184","CuKα","","0.0547","0.0531","","","0.1517","0.154","","","","","","1.084","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248974","13.59487","0.00017","15.49254","0.00018","17.9886","0.0003","90","","92.7582","0.0012","90","","3784.35","0.09","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Eu F9 N10 O11 S3 -","- C25 H30 Eu F9 N10 O11 S3 -","- C100 H120 Eu4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0393","0.0269","","","0.0517","0.0553","","","","","","1.044","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248975","6.3253","0.0013","9.2032","0.0018","10.202","0.002","64.48","0.03","74.18","0.03","78.74","0.03","513.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N3 Ni O2 -","- C7.99 H10 N2.99 Ni O2 -","- C15.98 H20 N5.98 Ni2 O4 -","2","1","","Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.","Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers","CrystEngComm","2024","26","31","4195","4204","10.1039/D4CE00459K","","","0.71073","MoKα","","0.0615","0.0347","","","0.0763","0.0848","","","","","","1.066","","","","has coordinates,has disorder","294522","2024-09-06","00:17:26",""
"7248976","5.9234","0.0005","9.5597","0.0008","10.2625","0.0008","114.847","0.003","96.831","0.003","95.811","0.003","516.16","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","C16 H16 Cu N6 Ni O2, C2 O","","- C18 H16 Cu N6 Ni O3 -","- C18 H16 Cu N6 Ni O3 -","- C18 H16 Cu N6 Ni O3 -","1","0.5","","Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.","Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers","CrystEngComm","2024","26","31","4195","4204","10.1039/D4CE00459K","","","0.71073","MoKα","","0.0448","0.0327","","","0.0827","0.0882","","","","","","1.109","","","","has coordinates,has disorder","294522","2024-09-06","00:17:26",""
"7248992","37.2565","0.001","37.2565","0.001","9.6925","0.0003","90","","90","","120","","11651.2","0.6","114","2","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0524","0.0445","","","0.118","0.1241","","","","","","1.055","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248993","37.3328","0.0005","37.3328","0.0005","9.7877","0.0002","90","","90","","120","","11813.9","0.3","231","1","231","1","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0423","0.0365","","","0.0979","0.1021","","","","","","1.061","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248994","37.2454","0.0008","37.2454","0.0008","9.65133","0.00017","90","","90","","120","","11594.8","0.4","89.9","0.6","89.9","0.6","","","","","","","","4","R -3 :H","-R 3","148","","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","x-ray","1.54184","CuKα","","0.0641","0.0455","","","0.0956","0.1027","","","","","","1.02","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248995","37.4596","0.0007","37.4596","0.0007","9.8361","0.0002","90","","90","","120","","11953.1","0.4","293","1","293","1","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0462","0.0407","","","0.117","0.1229","","","","","","1.039","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248996","37.2565","0.001","37.2565","0.001","9.6925","0.0003","90","","90","","120","","11651.2","0.6","114","2","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H30 N6 O2 -","- C25 H28 N6 O1.997 -","- C450 H504 N108 O35.946 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0526","0.0436","","","0.1129","0.12","","","","","","1.05","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248997","37.2303","0.0004","37.2303","0.0004","9.7085","0.0001","90","","90","","120","","11654","0.2","114","1","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0706","0.0448","","","0.0985","0.1146","","","","","","1.026","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248998","5.8251","0.0006","15.5339","0.0018","5.9792","0.0008","90","","100.851","0.012","90","","531.36","0.11","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","perfluoroazopyridine","","- C10 F8 N4 -","- C10 F8 N4 -","- C20 F16 N8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0998","0.0517","","","0.1036","0.1206","","","","","","1.031","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7248999","7.0434","0.0004","12.8068","0.0007","16.0013","0.0009","90","","98.123","0.005","90","","1428.89","0.14","100","0.6","100","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-difluoroazopyiridine adduct of phenylboronic acid catechol ester","","- C34 H22 B2 F4 N4 O4 -","- C34 H22 B2 F4 N4 O4 -","- C68 H44 B4 F8 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0755","0.0446","","","0.0997","0.1104","","","","","","0.978","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249000","5.0686","0.0006","5.1891","0.0007","18.59","0.002","90","","90.109","0.012","90","","488.94","0.1","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-difluoroazopyridine","","- C10 H4 F4 N4 -","- C10 H4 F4 N4 -","- C20 H8 F8 N8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0565","0.0478","","","0.1287","0.1351","","","","","","1.107","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249001","6.8631","0.0002","13.149","0.0003","15.7054","0.0004","90","","99.615","0.003","90","","1397.39","0.06","99.9","0.6","99.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phneylboronicacid catechol ester adduct of 4,4'-bipyridine","","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","- C68 H52 B4 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0669","0.0543","","","0.1366","0.1442","","","","","","1.039","","","","has coordinates,has disorder","293803","2024-08-05","18:30:02",""
"7249002","6.2144","0.0012","7.2948","0.0013","11.7785","0.0017","81.392","0.013","77.89","0.015","85.14","0.016","515.4","0.16","99.9","0.5","99.9","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C22 H9 B F8 N4 O2 -","- C22 H9 B F8 N4 O2 -","- C22 H9 B F8 N4 O2 -","1","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0827","0.0544","","","0.1403","0.1614","","","","","","1.013","","","","has coordinates,has disorder","293803","2024-08-05","18:30:02",""
"7249003","6.871","0.0003","13.0541","0.0006","15.9373","0.0007","90","","97.627","0.004","90","","1416.85","0.11","99.9","0.6","99.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-fluoroazopyridine adduct of phenylboronic acid catechol ester","","- C34 H24 B2 F2 N4 O4 -","- C34 H24 B2 F2 N4 O4 -","- C68 H48 B4 F4 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0637","0.0508","","","0.1356","0.1436","","","","","","1.049","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249004","21.2883","0.0013","7.9852","0.0004","15.3182","0.0008","90","","108.751","0.006","90","","2465.8","0.2","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 Cl3 Hg N4 -","- C8 H7 Cl3 Hg N4 -","- C64 H56 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0614","0.0557","","","0.1531","0.1629","","","","","","1.12","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249005","13.1765","0.0004","10.5309","0.0004","14.9341","0.0004","90","","90","","90","","2072.26","0.12","99.97","0.1","99.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H5 Cl3 Hg N4 -","- C6 H5 Cl3 Hg N4 -","- C48 H40 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0595","0.0562","","","0.1512","0.1546","","","","","","1.09","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249006","13.7616","0.0005","13.875","0.0003","17.3043","0.0007","90","","112.316","0.005","90","","3056.7","0.2","295.9","0.1","295.9","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cd Cl3 N4 -","- C12 H9 Cd Cl3 N4 -","- C96 H72 Cd8 Cl24 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","","1.54184","CuKα","","0.0559","0.0475","","","0.1317","0.138","","","","","","1.056","","","","has coordinates,has disorder","294518","2024-09-06","00:15:59",""
"7249007","14.6958","0.0004","8.2297","0.0002","13.5675","0.0003","90","","101.382","0.003","90","","1608.61","0.07","294.97","0.1","294.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl8 Hg3 N8 -","- C24 H18 Cl8 Hg3 N8 -","- C48 H36 Cl16 Hg6 N16 -","2","0.5","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0553","0.049","","","0.132","0.1362","","","","","","1.077","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249008","14.6036","0.0006","10.4826","0.0003","14.0963","0.0006","90","","114.117","0.005","90","","1969.56","0.15","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H5 Cd Cl3 N4 -","- C6 H5 Cd Cl3 N4 -","- C48 H40 Cd8 Cl24 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0527","0.0504","","","0.137","0.1398","","","","","","1.043","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249009","7.8207","0.0002","11.482","0.0002","12.1835","0.0003","107.838","0.002","95.257","0.002","94.091","0.002","1031.35","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl4 N8 Zn -","- C16 H14 Cl4 N8 Zn -","- C32 H28 Cl8 N16 Zn2 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.0615","0.0624","","","","","","1.039","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249010","7.9194","0.0005","11.28","0.0007","14.7285","0.0005","102.283","0.004","92.67","0.004","110.237","0.006","1195.82","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd2 Cl6 N8 -","- C16 H14 Cd2 Cl6 N8 -","- C32 H28 Cd4 Cl12 N16 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0788","0.0659","","","0.1701","0.1809","","","","","","1.066","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249011","6.9888","0.0002","10.2584","0.0004","18.2501","0.0006","102.553","0.003","90.641","0.003","108.11","0.003","1209.5","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl5 N12 Zn -","- C18 H15 Cl5 N12 Zn -","- C36 H30 Cl10 N24 Zn2 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","0.71073","MoKα","","0.0513","0.0367","","","0.0774","0.0822","","","","","","1.046","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249012","9.932","0.0002","14.3027","0.0003","19.3085","0.0004","90.232","0.002","96.974","0.002","92.585","0.002","2719.67","0.1","260.89","","260.89","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cl7.91 N16 Zn2 -","- C48 H36 Cl7.917 N16 Zn2 -","- C96 H72 Cl15.834 N32 Zn4 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","","1.54184","CuKα","","0.0842","0.0699","","","0.2139","0.2295","","","","","","1.06","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249013","9.1407","0.0002","9.6712","0.0003","10.5728","0.0002","83.925","0.002","86.217","0.002","65.675","0.003","846.64","0.04","295","0.1","295","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C13 H5 F3 I3 N O S -","- C13 H5 F3 I3 N O S -","- C26 H10 F6 I6 N2 O2 S2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0456","0.0341","","","0.086","0.0907","","","","","","1.071","","","","has coordinates,has disorder","294525","2024-09-06","00:18:26",""
"7249014","9.0215","0.0011","5.9752","0.0006","16.633","0.002","90","","102.764","0.012","90","","874.45","0.18","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H9 F4 I2 N O -","- C16 H9 F4 I2 N O -","- C32 H18 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0558","0.0368","","","0.0706","0.0815","","","","","","1.024","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249015","5.8434","0.0003","9.8958","0.0004","10.8439","0.0005","68.788","0.004","84.873","0.004","75.319","0.004","565.48","0.05","294.98","0.1","294.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 F4 I2 N2 O2 S2 -","- C20 H10 F4 I2 N2 O2 S2 -","- C20 H10 F4 I2 N2 O2 S2 -","1","0.5","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0411","0.0305","","","0.0785","0.0843","","","","","","1.044","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249016","4.9988","0.0003","17.71","0.0008","19.4968","0.001","90","","95.15","0.005","90","","1719.06","0.16","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 F3 I3 N2 O -","- C14 H6 F3 I3 N2 O -","- C56 H24 F12 I12 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0699","0.0556","","","0.1144","0.1214","","","","","","1.181","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249017","5.9978","0.0001","7.774","0.0002","32.974","0.0007","90","","90","","90","","1537.48","0.06","169.99","0.1","169.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-pyridyloxazole 2,4,5,6-tetrafluoro-1,3-diiodobenzene","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C56 H24 F16 I8 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0198","0.0187","","","0.0361","0.0364","","","","","","1.03","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249018","7.3099","0.0005","12.9537","0.0011","26.1341","0.0015","90","","90.842","0.006","90","","2474.4","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 F8 I4 N2 O -","- C20 H6 F8 I4 N2 O -","- C80 H24 F32 I16 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1232","0.0748","","","0.1647","0.1927","","","","","","1.065","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249019","17.6258","0.0002","4.7248","0.0001","22.8559","0.0003","90","","97.24","0.001","90","","1888.23","0.05","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H9 F3 I3 N O -","- C16 H9 F3 I3 N O -","- C64 H36 F12 I12 N4 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0435","0.0417","","","0.1212","0.1233","","","","","","1.032","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249020","29.7446","0.0014","8.7558","0.0002","24.0108","0.0011","90","","127.927","0.007","90","","4932.6","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","phen-ox_14tfib_2","","- C21 H7 F8 I4 N O -","- C21 H7 F8 I4 N O -","- C168 H56 F64 I32 N8 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.033","0.0249","","","0.0497","0.0519","","","","","","1.01","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249021","8.1546","0.0005","5.9866","0.0003","16.616","0.0007","90","","97.011","0.005","90","","805.1","0.07","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H7 F4 I2 N O -","- C15 H7 F4 I2 N O -","- C30 H14 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0491","0.0356","","","0.0923","0.1009","","","","","","0.99","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249022","9.1993","0.0004","9.7631","0.0004","10.5954","0.0003","84.563","0.003","85.979","0.003","65.091","0.004","858.73","0.06","298.09","0.1","298.09","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 F3 I3 N O -","- C15 H7 F3 I3 N O -","- C30 H14 F6 I6 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0541","0.0405","","","0.1049","0.1126","","","","","","1.04","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249023","8.1512","0.0003","9.2659","0.0004","11.0875","0.0004","103.811","0.003","95.582","0.003","101.302","0.003","788.26","0.06","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","phox_13tfib","","- C15 H7 F4 I2 N O -","- C15 H7 F4 I2 N O -","- C30 H14 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0361","0.0276","","","0.0542","0.0565","","","","","","1.043","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249024","17.9765","0.0013","12.865","0.0013","13.6805","0.001","90","","90","","90","","3163.9","0.5","295","","295","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C112 H48 F32 I16 N16 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1022","0.0657","","","0.1622","0.204","","","","","","1.074","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249025","4.9443","0.0002","17.6264","0.0006","21.809","0.0009","90","","96.092","0.004","90","","1889.93","0.13","298.14","0.1","298.14","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H6 F3 I3 N2 O3 -","- C15 H6 F3 I3 N2 O3 -","- C60 H24 F12 I12 N8 O12 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0732","0.0748","","","","","","1.073","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249026","5.7685","0.0005","16.8433","0.0009","7.9199","0.0005","90","","97.137","0.007","90","","763.54","0.09","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H5 F4 I2 N O2 -","- C13 H5 F4 I2 N O2 -","- C26 H10 F8 I4 N2 O4 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0603","0.0428","","","0.0683","0.0777","","","","","","1.009","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249027","11.7125","0.0004","8.7742","0.0003","22.06","0.0008","90","","98.273","0.003","90","","2243.47","0.14","169.99","0.1","169.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benz[b]oxazole","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0479","0.0426","","","0.1195","0.1231","","","","","","1.082","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249028","10.0238","0.0005","11.0764","0.0005","12.9002","0.0004","99.313","0.003","95.503","0.003","94.395","0.004","1400.68","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F3 I3 N3 O3 -","- C27 H15 F3 I3 N3 O3 -","- C54 H30 F6 I6 N6 O6 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0875","0.0607","","","0.159","0.187","","","","","","1.033","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249029","19.0306","0.0007","6.4052","0.0002","14.0416","0.0005","90","","102.248","0.004","90","","1672.64","0.1","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C72 H48 N16 O24 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0742","0.0504","","","0.1305","0.15","","","","","","1.019","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249030","8.7028","0.0003","21.0309","0.001","9.406","0.0003","90","","95.139","0.004","90","","1714.64","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H6 F4 I2 N2 O3 -","- C15 H6 F4 I2 N2 O3 -","- C60 H24 F16 I8 N8 O12 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0593","0.0357","","","0.0535","0.0599","","","","","","1.017","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249031","14.4917","0.0003","7.3816","0.0002","26.3414","0.0005","90","","90.223","0.002","90","","2817.77","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 F4 I2 N O -","- C13 H5 F4 I2 N O -","- C104 H40 F32 I16 N8 O8 -","8","2","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0449","0.0287","","","0.0576","0.0635","","","","","","1.027","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249032","14.1322","0.0004","5.5319","0.0002","18.641","0.0005","90","","95.506","0.003","90","","1450.59","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 F4 I2 N O -","- C13 H5 F4 I2 N O -","- C52 H20 F16 I8 N4 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.029","0.0269","","","0.0683","0.0698","","","","","","0.932","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249033","4.9817","0.0002","17.5239","0.0004","19.0409","0.0007","90","","93.994","0.003","90","","1658.21","0.1","294.99","0.1","294.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H5 F3 I3 N O2 -","- C13 H5 F3 I3 N O2 -","- C52 H20 F12 I12 N4 O8 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0411","0.0333","","","0.0873","0.0909","","","","","","1.084","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249034","10.2225","0.0005","11.0134","0.0005","12.1627","0.0004","84.048","0.003","79.544","0.004","83.723","0.004","1333.59","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd1.5 N3 O11 -","- C24 H26 Cd1.5 N3 O11 -","- C48 H52 Cd3 N6 O22 -","2","1","","Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes","CrystEngComm","2024","26","32","4339","4349","10.1039/D4CE00455H","","","1.54184","CuKα","","0.0657","0.0494","","","0.1214","0.134","","","","","","1.015","","","","has coordinates,has disorder","294504","2024-09-06","00:12:44",""
"7249035","17.4786","0.0007","12.9233","0.0004","6.5827","0.0003","90","","112.399","0.005","90","","1374.72","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H15 O12 Zn1.5 -","- C9 H15 O12 Zn1.5 -","- C36 H60 O48 Zn6 -","4","1","","Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes","CrystEngComm","2024","26","32","4339","4349","10.1039/D4CE00455H","","","1.54184","CuKα","","0.0384","0.0374","","","0.1008","0.1019","","","","","","1.087","","","","has coordinates","294504","2024-09-06","00:12:45",""
"7249036","13.0333","0.0005","15.073","0.0006","18.2889","0.0007","106.84","0.001","92.601","0.001","97.46","0.001","3396.6","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C126 H132 Ag4 Mo8 N6 O32 P6 -","- C126 H132 Ag4 Mo8 N6 O32 P6 -","- C126 H132 Ag4 Mo8 N6 O32 P6 -","1","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.0494","0.0425","","","0.1161","0.12","","","","","","1.048","","","","has coordinates,has disorder","294507","2024-09-06","00:13:20",""
"7249037","13.265","0.003","21.934","0.004","23.266","0.005","90","","91.28","0.03","90","","6768","2","150.15","","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H104 Cl4 Cu4 Mo8 N4 O26 P8 -","- C110 H104 Cl4 Cu4 Mo8 N4 O26 P8 -","- C220 H208 Cl8 Cu8 Mo16 N8 O52 P16 -","2","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.096","0.0789","","","0.1871","0.1954","","","","","","1.115","","","","has coordinates,has disorder","294507","2024-09-06","00:13:20",""
"7249038","15.9275","0.0006","16.1794","0.0006","19.0604","0.0008","81.001","0.002","78.954","0.001","88.419","0.001","4761.5","0.3","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H138 Cu4 Mo8 N6 O26 P8 -","- C156 H138 Cu4 Mo8 N6 O26 P8 -","- C156 H138 Cu4 Mo8 N6 O26 P8 -","1","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.0665","0.0483","","","0.1467","0.1563","","","","","","1.122","","","","has coordinates","294507","2024-09-06","00:13:20",""
"7249039","23.7515","0.0008","17.9116","0.0006","33.5518","0.0011","90","","90","","90","","14273.9","0.8","200","","200","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C110 H104 Ag4 Cl4 Mo8 N4 O26 P8 -","- C110 H104 Ag4 Cl4 Mo8 N4 O26 P8 -","- C440 H416 Ag16 Cl16 Mo32 N16 O104 P32 -","4","1","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","1.34139","GaKα","","0.0574","0.0539","","","0.1373","0.1396","","","","","","1.054","","","","has coordinates","294507","2024-09-06","00:13:20",""
"7249047","11.4897","0.0003","12.2783","0.0005","14.8287","0.0008","81.385","0.004","72.679","0.003","83.705","0.003","1969.85","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H48 Br4 N8 O12 Pb4 S4 -","- C80 H48 Br4 N8 O12 Pb4 S4 -","- C80 H48 Br4 N8 O12 Pb4 S4 -","1","0.5","","Darious, Robert Swinton; Evangeline, H. Gifta; Perdih, Franc; Vedha, Swaminathan Angeline","Role of tetrel bonds in the supramolecular architecture of tetranuclear Pb(ii)[LL′thiophene carboxylate] complexes – an experimental and computational study","CrystEngComm","2024","26","30","4098","4106","10.1039/D4CE00466C","","","1.54184","CuKα","","0.0664","0.0555","","","0.1396","0.154","","","","","","1.026","","","","has coordinates,has disorder","293800","2024-08-05","18:29:21",""
"7249052","7.048","0.008","7.351","0.008","15.499","0.016","78.09","0.03","84.05","0.03","69.2","0.03","734.1","1.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N2 O3 -","- C16 H17 N2 O3 -","- C32 H34 N4 O6 -","2","1","","Saikia, Plabon; Gupta, Poonam; Nath, Tridib R.; Nath, Naba K.","Crystal-to-crystal polymorphic phase transition in a cocrystal accompanied by expansion and surface wettability change","CrystEngComm","2024","26","32","4259","4263","10.1039/D4CE00407H","","","0.71073","MoKα","","0.1099","0.0581","","","0.1356","0.1688","","","","","","1.0435","","","","has coordinates","294510","2024-09-06","00:14:31",""
"7249053","8.9872","0.0006","13.7547","0.0009","26.5649","0.0017","90","","90","","90","","3283.9","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Febuxostat","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C128 H128 N16 O24 S8 -","8","2","","Ungur, Doriana T.; Lanza, Arianna; Stam, Danny; Guguta, Carmen; Iordache, Coca; Fruth, Victor; Santiso-Quinones, Gustavo; Pop, Mihaela M.","Crystal structure of febuxostat marketed polymorph determined by electron diffraction and reinforced by X-ray crystallography","CrystEngComm","2024","26","32","4295","4304","10.1039/D4CE00518J","","","1.54184","CuKα","","0.1005","0.0629","","","0.1407","0.1689","","","","","","1.006","","","","has coordinates","294506","2024-09-06","00:13:04",""
"7249056","10.7933","0.0013","15.7086","0.0012","7.8096","0.0006","90","","90","","90","","1324.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H20 Br9 N2 Sb -","- C15 H20 Br9 N2 Sb -","- C30 H40 Br18 N4 Sb2 -","2","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.049","0.0403","","","0.0814","0.0869","","","","","","1.028","","","","has coordinates","294516","2024-09-06","00:15:32",""
"7249057","22.0906","0.0014","7.8331","0.0005","20.5614","0.0014","90","","102.413","0.007","90","","3474.7","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Br12 N2 Sb2 -","- C18 H26 Br12 N2 Sb2 -","- C72 H104 Br48 N8 Sb8 -","4","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0339","0.0251","","","0.0509","0.0541","","","","","","0.995","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249058","7.7262","0.0002","8.7072","0.0004","11.2299","0.0004","75.662","0.004","82.363","0.003","82.661","0.003","721.91","0.05","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H24 Br9 N2 Sb -","- C17 H24 Br9 N2 Sb -","- C17 H24 Br9 N2 Sb -","1","1","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0399","0.0343","","","0.0694","0.0728","","","","","","0.989","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249059","7.4663","0.0005","9.0838","0.0007","10.3799","0.0009","112.483","0.007","95.318","0.006","98.593","0.006","634.47","0.09","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br9 N2 Sb -","- C14 H18 Br9 N2 Sb -","- C14 H18 Br9 N2 Sb -","1","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0524","0.0414","","","0.0863","0.0936","","","","","","0.986","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249060","7.1919","0.0002","8.9352","0.0003","12.059","0.0004","69.046","0.003","74.269","0.003","80.096","0.003","694.14","0.04","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Br9 N2 Sb -","- C16 H20 Br9 N2 Sb -","- C16 H20 Br9 N2 Sb -","1","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0433","0.0338","","","0.0706","0.0757","","","","","","1.033","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249061","11.2062","0.0002","15.7756","0.0003","16.4774","0.0003","114.223","0.002","95.122","0.002","106.738","0.002","2471.12","0.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Br15 N4 Sb3 -","- C28 H36 Br15 N4 Sb3 -","- C56 H72 Br30 N8 Sb6 -","2","1","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0472","0.0337","","","0.0603","0.0651","","","","","","1.028","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249062","9.4676","0.0007","11.3277","0.0011","14.7065","0.0014","90","","99.769","0.003","90","","1554.3","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 N12 O6 Pb2 S2 -","- C24 H32 N12 O6 Pb2 S2 -","- C48 H64 N24 O12 Pb4 S4 -","2","0.5","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide","CrystEngComm","2024","26","32","4357","4366","10.1039/D4CE00582A","","","0.71073","MoKα","","0.0262","0.0185","","","0.0325","0.0341","","","","","","1.057","","","","has coordinates","294511","2024-09-06","00:14:41",""
"7249063","25.1389","0.001","11.3401","0.0005","38.3204","0.0019","90","","102.189","0.001","90","","10678","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H54 Cl3 N15 O15.25 Pb3 S3 -","- C36 H54 Cl3 N15 O15.25 Pb3 S3 -","- C288 H432 Cl24 N120 O122 Pb24 S24 -","8","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide","CrystEngComm","2024","26","32","4357","4366","10.1039/D4CE00582A","","","0.71073","MoKα","","0.0655","0.0352","","","0.0518","0.0593","","","","","","1.027","","","","has coordinates","294511","2024-09-06","00:14:41",""
"7249064","17.731","0.006","17.61","0.006","18.563","0.006","90","","93.025","0.006","90","","5788","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N10 O10 Zn2 -","- C48 H32 N10 O10 Zn2 -","- C192 H128 N40 O40 Zn8 -","4","0.5","","Zhong, Xin; Yang, Xiying; Wang, Jun; Lu, Lu; Muddassir, Mohd; Kushwaha, Aparna; Srivastava, Shreya; Kumar, Abhinav","A new pyromellitic acid and 3,5-bis(benzoimidazo-1-ly)pyridine based Zn(ii)-MOF as prospective turn-off–on sensor for tetracycline","CrystEngComm","2024","26","33","4509","4517","10.1039/D4CE00471J","","","0.71073","MoKα","","0.0907","0.0489","","","0.1321","0.1509","","","","","","0.987","","","","has coordinates","294517","2024-09-06","00:15:40",""
"7249065","25.9446","0.0009","16.1841","0.0006","9.4239","0.0003","90","","99.628","0.002","90","","3901.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N5 O2 -","- C25 H15 N5 O2 -","- C200 H120 N40 O16 -","8","2","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0728","0.0468","","","0.1141","0.1291","","","","","","1.065","","","","has coordinates","294523","2024-09-06","00:17:35",""
"7249066","9.6535","0.0004","16.8465","0.0007","25.9752","0.001","90","","93.411","0.002","90","","4216.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H76 Eu2 N10 O12 -","- C98 H76 Eu2 N10 O12 -","- C196 H152 Eu4 N20 O24 -","2","0.5","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0497","0.0407","","","0.0983","0.1016","","","","","","1.119","","","","has coordinates","294523","2024-09-06","00:17:36",""
"7249067","9.4359","0.0005","17.4013","0.0009","25.6394","0.0014","90","","91.022","0.002","90","","4209.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H74 Eu2 N8 O14 -","- C98 H74 Eu2 N8 O14 -","- C196 H148 Eu4 N16 O28 -","2","0.5","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0469","0.0395","","","0.096","0.1007","","","","","","1.075","","","","has coordinates","294523","2024-09-06","00:17:36",""
"7249068","19.4844","0.0005","19.797","0.0006","20.2908","0.001","90","","93.527","0.003","90","","7812","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H205 Co16 N O66 -","- C102 H205 Co16 N O66 -","- C204 H410 Co32 N2 O132 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core","CrystEngComm","2024","26","32","4264","4271","10.1039/D4CE00637B","","","0.71073","MoKα","","0.1348","0.063","","","0.1209","0.1436","","","","","","1","","","","has coordinates,has disorder","294509","2024-09-06","00:14:17",""
"7249069","19.5755","0.0006","19.8822","0.0009","20.6464","0.0011","90","","94.644","0.003","90","","8009.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H213 Co16 N O66 -","- C106 H213 Co16 N O66 -","- C212 H426 Co32 N2 O132 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core","CrystEngComm","2024","26","32","4264","4271","10.1039/D4CE00637B","","","0.71073","MoKα","","0.1414","0.0733","","","0.1782","0.2143","","","","","","1.003","","","","has coordinates,has disorder","294509","2024-09-06","00:14:17",""
"7249073","10.9806","0.0011","4.9204","0.0005","22.904","0.002","90","","92.98","0.003","90","","1235.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N4 O5 -","- C9 H13 N4 O5 -","- C36 H52 N16 O20 -","4","1","","Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang","Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids","CrystEngComm","2024","26","31","4214","4222","10.1039/D4CE00513A","","","0.71073","MoKα","","0.0956","0.0491","","","0.0972","0.1157","","","","","","1.039","","","","has coordinates","294519","2024-09-06","00:16:31",""
"7249074","4.958","0.0002","11.3093","0.0006","14.6326","0.0008","86.267","0.002","81.573","0.002","83.375","0.002","805.22","0.07","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N4 O6 -","- C14 H16 N4 O6 -","- C28 H32 N8 O12 -","2","1","","Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang","Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids","CrystEngComm","2024","26","31","4214","4222","10.1039/D4CE00513A","","","1.54178","CuKα","","0.0828","0.0703","","","0.2215","0.2291","","","","","","1.112","","","","has coordinates","294519","2024-09-06","00:16:32",""
"7249075","29.618","0.002","15.2128","0.0013","24.2347","0.0011","90","","90","","90","","10919.5","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C120 H60 Cu9 N40 O22 -","- C120 H60 Cu9 N40 O21.998 -","- C240 H120 Cu18 N80 O43.996 -","2","0.25","","Chen, Xi; Chen, Zi-tong; Zhu, Feng; Chen, Yuan; Liu, Ao-gang; Yin, Xue; Chen, Zi-ke; Li, Bao","Enhanced organic dye adsorption and photocatalytic activity through a metal–organic framework featuring heptanuclear/binuclear clusters and cage cavities","CrystEngComm","2024","26","33","4489","4497","10.1039/D4CE00484A","","","0.71","MoKα","","0.1321","0.0952","","","0.2646","0.3274","","","","","","1.027","","","","has coordinates,has disorder","294514","2024-09-06","00:15:14",""
"7249084","11.723","0.002","11.705","0.002","16.755","0.006","90","","115.55","0.02","90","","2074.3","1","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H20 Cd Cl14 N4 O8 -","- C20 H16 Cd Cl2 N4 O8 -","- C40 H32 Cd2 Cl4 N8 O16 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.1086","0.092","","","0.2638","0.28","","","","","","1.0192","","","","has coordinates","294532","2024-09-06","00:20:33",""
"7249085","10.351","0.002","11.599","0.002","13.672","0.003","90","","92.57","0.03","90","","1639.8","0.6","298","2","298.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H21 Cd Cl5 N8 O9 -","- C22 H16 Cd Cl2 N8 O8 -","- C44 H32 Cd2 Cl4 N16 O16 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.0961","0.069","","","0.17","0.1866","","","","","","0.9718","","","","has coordinates,has disorder","294532","2024-09-06","00:20:33",""
"7249086","9.1632","0.0018","9.795","0.002","13.509","0.003","105.06","0.03","109.51","0.03","90.79","0.03","1096.9","0.5","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34.8 Cd Cl2 N18 O11.4 -","- C38 H34.8 Cd Cl2 N18 O11.4 -","- C38 H34.8 Cd Cl2 N18 O11.4 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.0826","0.0642","","","0.1519","0.1626","","","","","","0.9668","","","","has coordinates,has disorder","294532","2024-09-06","00:20:33",""
"7249087","11.8513","0.0008","12.1261","0.0009","13.3197","0.0009","90.144","0.002","106.205","0.002","116.611","0.002","1625.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 F9 Gd N2 O6 -","- C27 H24 F9 Gd N2 O6 -","- C54 H48 F18 Gd2 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0385","0.0341","","","0.0921","0.0985","","","","","","1.019","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249088","15.7398","0.0008","17.6702","0.0008","18.6995","0.0009","90","","106.605","0.001","90","","4983.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 F9 Gd N2 O6 -","- C49 H46 F9 Gd N2 O6 -","- C196 H184 F36 Gd4 N8 O24 -","4","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0394","0.0334","","","0.1053","0.1223","","","","","","0.99","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249089","11.816","0.0014","12.1181","0.0014","13.2915","0.0015","90.396","0.001","106.009","0.001","116.348","0.001","1620.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Dy F9 N2 O6 -","- C27 H24 Dy F9 N2 O6 -","- C54 H48 Dy2 F18 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0387","0.0349","","","0.0936","0.0977","","","","","","1.034","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249090","12.6639","0.0007","13.2219","0.0007","16.7861","0.0007","90","","113.407","0.003","90","","2579.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Dy2 F18 N4 O12 -","- C38 H30 Dy2 F18 N4 O12 -","- C76 H60 Dy4 F36 N8 O24 -","2","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0422","0.0347","","","0.0867","0.0951","","","","","","1.036","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249091","9.8261","0.001","11.0676","0.0011","17.1496","0.0018","71.781","0.002","80.509","0.002","84.683","0.002","1745.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 F9 Gd N2 O6 -","- C34 H21 F9 Gd N2 O6 -","- C68 H42 F18 Gd2 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0653","0.0433","","","0.0785","0.0874","","","","","","1.016","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249092","12.6945","0.0007","13.147","0.0007","16.7459","0.0007","90","","113.398","0.003","90","","2565","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F18 Gd2 N4 O12 -","- C38 H30 F18 Gd2 N4 O12 -","- C76 H60 F36 Gd4 N8 O24 -","2","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71067","MoKα","","0.0347","0.0295","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249093","15.7153","0.0006","17.6221","0.0006","18.7216","0.0006","90","","106.977","0.001","90","","4958.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Dy F9 N2 O6 -","- C49 H46 Dy F9 N2 O6 -","- C196 H184 Dy4 F36 N8 O24 -","4","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0349","0.0273","","","0.064","0.0731","","","","","","1.017","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249094","9.8524","0.0015","11.032","0.0016","17.118","0.002","71.671","0.002","80.346","0.002","84.439","0.002","1739.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H42 Dy2 F18 N4 O12 -","- C68 H42 Dy2 F18 N4 O12 -","- C68 H42 Dy2 F18 N4 O12 -","1","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0316","0.0264","","","0.0541","0.0556","","","","","","1.014","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249095","10.1258","0.001","17.1023","0.0018","17.3953","0.0018","98.893","0.003","105.772","0.003","100.319","0.003","2785.6","0.5","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H12 Cd2 O15 -","- C30 H12 Cd2 O15 -","- C60 H24 Cd4 O30 -","2","1","","Xiong, Yuxuan; Li, Dan-Dan; Yu, Jie-Hui; Yang, Qingfeng","Dye adsorption performance of an anionic Cd2+ MOF material based on semi-rigid hexacarboxylic acid","CrystEngComm","2024","26","34","4579","4591","10.1039/D4CE00362D","","","0.71073","MoKα","","0.1111","0.0967","","","0.3019","0.3165","","","","","","1.119","","","","has coordinates","294529","2024-09-06","00:19:46",""
"7249096","24.457","0.005","8.6861","0.0017","18.097","0.003","90","","90.435","0.009","90","","3844.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4,5-trifluoro-1,3-phenylenediamine 15-crown-5, associate 1:1","","- C16 H25 F3 N2 O5 -","- C16 H25 F3 N2 O5 -","- C128 H200 F24 N16 O40 -","8","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1286","0.0954","","","0.2285","0.2499","","","","","","1.072","","","","has coordinates,has disorder","294531","2024-09-06","00:20:12",""
"7249097","11.5203","0.0014","11.5359","0.0015","11.8617","0.0017","106.975","0.005","108.55","0.004","90.001","0.005","1421.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Co-crystal of 2,4-diaminotrifluoronitrobenzene and 15-crown-5, 2:1","","- C22 H28 F6 N6 O9 -","- C22 H28 F6 N6 O9 -","- C44 H56 F12 N12 O18 -","2","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1015","0.0635","","","0.171","0.201","","","","","","1.031","","","","has coordinates,has disorder","294531","2024-09-06","00:20:12",""
"7249098","24.7949","0.0015","8.4611","0.0004","17.9811","0.001","90","","91.929","0.003","90","","3770.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Co-crystal of 2,4-diaminotrifluoropyridine and 15-crown-5, 1:1","","- C15 H24 F3 N3 O5 -","- C15 H24 F3 N3 O5 -","- C120 H192 F24 N24 O40 -","8","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1085","0.0754","","","0.186","0.2165","","","","","","1.079","","","","has coordinates,has disorder","294531","2024-09-06","00:20:13",""
"7249099","15.4617","0.0018","21.673","0.003","7.3234","0.0008","90","","90.584","0.005","90","","2454","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co-crystal of 2,4-diaminotrifluoronitrobenzene and 12-crown-4, 2:1","","- C20 H24 F6 N6 O8 -","- C20 H24 F6 N6 O8 -","- C80 H96 F24 N24 O32 -","4","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1992","0.1404","","","0.4282","0.4467","","","","","","1.363","","","","has coordinates","294531","2024-09-06","00:20:13",""
"7249100","5.7104","0.0002","9.502","0.0004","10.2481","0.0005","88.963","0.002","87.032","0.002","81.176","0.002","548.72","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Co-crystal of 2,4-diaminotrifluoropyridine and 12-crown-4, 2:1","","- C18 H24 F6 N6 O4 -","- C18 H24 F6 N6 O4 -","- C18 H24 F6 N6 O4 -","1","0.5","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.0458","0.0353","","","0.0987","0.1078","","","","","","1.057","","","","has coordinates","294531","2024-09-06","00:20:13",""
"7249101","30.2798","0.0012","6.8134","0.0003","14.1349","0.0006","90","","93.921","0.002","90","","2909.3","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H11 Br2 N O -","- C16 H11 Br2 N O -","- C128 H88 Br16 N8 O8 -","8","2","","Parthasarathy, Thiyagaraj; Bhattacharya, Biswajit; Emmerling, Franziska; Ghosh, Soumyajit","Design of mechanically flexible photoresponsive cyanostilbene molecular crystals","CrystEngComm","2024","26","34","4634","4642","10.1039/D4CE00571F","","","0.71073","MoKα","","0.0527","0.0485","","","0.132","0.1341","","","","","","1.107","","","","has coordinates","294534","2024-09-06","00:21:09",""
"7249102","10.166","","10.246","","16.99","","105.02","","99.5","","99.93","","1642.2","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Cd N2 O10 -","- C20 H10 Cd N2 O10 -","- C40 H20 Cd2 N4 O20 -","2","1","","Alp Arici, Tuğba; Şevik, Melike; Kavak, Enes; Kavak, Emrah; Arici, Mürsel","Efficient removal of methylene blue by water-stable anionic coordination polymer in aqueous media","CrystEngComm","2024","26","32","4387","4394","10.1039/D4CE00634H","","","0.71073","MoKα","","0.0493","0.0428","","","0.1049","0.1083","","","","","","1.05","","","","has coordinates","294508","2024-09-06","00:13:55",""
"7249103","3.9865","0.0006","37.612","0.005","11.9718","0.0015","90","","95.365","0.01","90","","1787.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Niclosamide dimethyl formamide solvate","","- C16 H15 Cl2 N3 O5 -","- C16 H15 Cl2 N3 O5 -","- C64 H60 Cl8 N12 O20 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1259","0.0685","","","0.1421","0.1648","","","","","","1.041","","","","has coordinates","294505","2024-09-06","00:12:56",""
"7249104","10.3963","0.0004","20.4099","0.0007","9.9364","0.0004","90","","117.104","0.0018","90","","1876.84","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Niclosamide n,n-dimethyl acetamide solvate 1","","- C17 H17 Cl2 N3 O5 -","- C17 H17 Cl2 N3 O5 -","- C68 H68 Cl8 N12 O20 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.0741","0.047","","","0.1119","0.1317","","","","","","1.052","","","","has coordinates","294505","2024-09-06","00:12:57",""
"7249105","16.821","0.016","11.538","0.01","9.082","0.008","90","","95.92","0.02","90","","1753","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Niclosamide dimethyl sulfoxide solvate","","- C15 H14 Cl2 N2 O5 S -","- C15 H14 Cl2 N2 O5 S -","- C60 H56 Cl8 N8 O20 S4 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.0972","0.0413","","","0.0916","0.1112","","","","","","1.025","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249106","7.5264","0.001","9.7054","0.0012","11.9792","0.0014","69.028","0.004","85.313","0.004","77.701","0.004","798.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide dioxane solvate 1","","- C15 H12 Cl2 N2 O5 -","- C15 H12 Cl2 N2 O5 -","- C30 H24 Cl4 N4 O10 -","2","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1041","0.0438","","","0.0985","0.1258","","","","","","1.014","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249107","11.4503","0.0005","12.5985","0.0005","14.5875","0.0007","66.0849","0.0014","87.5929","0.0015","64.4525","0.0012","1712.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide dioxane solvate 2","","- C32 H28 Cl4 N4 O11 -","- C32 H28 Cl4 N4 O11 -","- C64 H56 Cl8 N8 O22 -","2","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1031","0.0527","","","0.1295","0.1671","","","","","","1.038","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249108","7.434","0.0008","14.1832","0.0016","18.431","0.002","100.902","0.003","100.288","0.004","91.378","0.004","1874.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide n,n-dimethyl acetamide solvate 2","","- C17 H17 Cl2 N3 O5 -","- C17 H17 Cl2 N3 O5 -","- C68 H68 Cl8 N12 O20 -","4","2","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1641","0.0519","","","0.1146","0.1614","","","","","","1.005","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249119","10.6934","0.0003","36.4837","0.0007","15.7079","0.0004","90","","98.7233","0.0019","90","","6057.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","No.167","","","- C55 H43 Cd2 N9 O13 -","- C55 H43 Cd2 N9 O13 -","- C220 H172 Cd8 N36 O52 -","4","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","1.54186","CuKα","","0.104","0.0627","","","0.1548","0.1719","","","","","","0.972","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249120","30.1876","0.0008","20.3038","0.0006","20.5795","0.0006","90","","90","","90","","12613.6","0.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","No.176","","","- C52 H38 Cd2 N10 O12 -","- C52 H38 Cd2 N10 O12 -","- C416 H304 Cd16 N80 O96 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","1.54186","CuKα","","0.1877","0.1065","","","0.2648","0.3227","","","","","","1.023","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249121","30.4034","0.0019","19.7177","0.0013","39.988","0.003","90","","90","","90","","23972","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C110 H84 N18 O26 Zn4 -","- C110 H84 N18 O26 Zn4 -","- C880 H672 N144 O208 Zn32 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","0.71073","MoKα","","0.1983","0.1615","","","0.4143","0.4361","","","","","","1.05","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249122","14.4882","0.0005","17.5369","0.0005","8.4421","0.0003","90","","100.351","0.003","90","","2110.04","0.12","293","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Crown6KHSeO4_2H2O","","- C12 H29 K O12 Se -","- C12 H29 K O12 Se -","- C48 H116 K4 O48 Se4 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","","0.71073","MoKα","","0.062","0.0541","","","0.1402","0.1453","","","","","","1.073","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249123","10.3093","0.0008","8.523","0.0006","21.5977","0.0015","90","","99.684","0.007","90","","1870.7","0.2","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 K O10 S0.5 Se0.5 -","- C12 H25 K O10 S0.5 Se0.5 -","- C48 H100 K4 O40 S2 Se2 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2703","0.08","","","0.1083","0.1624","","","","","","0.977","","","","has coordinates,has disorder","294513","2024-09-06","00:15:04",""
"7249124","22.1681","0.0014","9.9047","0.0004","20.5896","0.0012","90","","117.183","0.008","90","","4021.5","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Crown6RbHSeO4_H2O","","- C12 H27 O11 Rb Se -","- C12 H27 O11 Rb Se -","- C96 H216 O88 Rb8 Se8 -","8","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.1335","0.0502","","","0.0531","0.0741","","","","","","0.932","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249125","10.3653","0.0005","8.5649","0.0006","21.582","0.0014","90","","100.137","0.005","90","","1886.1","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cr6KHSeO4","","- C12 H25 K O10 Se -","- C12 H25 K O10 Se -","- C48 H100 K4 O40 Se4 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2256","0.0998","","","0.1636","0.2103","","","","","","1.045","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249126","23.7101","0.0016","8.4597","0.0007","21.3553","0.0018","90","","109.486","0.009","90","","4038.1","0.6","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cr6CsHSeO4_H2O","","- C12 H24 Cs O11 Se -","- C12 H24 Cs O11 Se -","- C96 H192 Cs8 O88 Se8 -","8","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2828","0.0794","","","0.1312","0.1888","","","","","","0.809","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249127","14.8893","0.0005","6.2149","0.0002","9.0927","0.0003","90","","93.663","0.003","90","","839.68","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 O4 P -","- C7 H10 O4 P -","- C28 H40 O16 P4 -","4","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","x-ray","1.54184","CuKα","","0.0556","0.0495","","","0.1391","0.1484","","","","","","1.149","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249128","5.51236","0.00003","15.23409","0.00008","19.29148","0.00011","90","","97.9423","0.0006","90","","1604.48","0.015","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N O5 P -","- C18 H18 N O5 P -","- C72 H72 N4 O20 P4 -","4","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54184","CuKα","","0.0305","0.0303","","","0.08","0.0802","","","","","","1.046","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249129","12.0665","0.0002","13.6291","0.0003","15.2147","0.0002","90","","92.989","0.001","90","","2498.74","0.08","100.02","0.16","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N2 O4 P -","- C11 H13 N2 O3 P -","- C88 H104 N16 O24 P8 -","8","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54178","CuKα","","0.1311","0.1162","","","0.2165","0.2245","","","","","","1.068","","","","has coordinates,has disorder","294527","2024-09-06","00:19:19",""
"7249130","10.7489","0.0001","11.1092","0.0001","28.1083","0.0002","92.98","0.001","92.563","0.001","102.701","0.001","3264.47","0.05","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H172 N24 O62 P4 -","- C96 H92 N24 O22 P4 -","- C96 H92 N24 O22 P4 -","1","0.5","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54184","CuKα","","0.0978","0.0923","","","0.2687","0.2732","","","","","","1.127","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249135","14.904","0.004","21.449","0.006","9.772","0.003","90","","110.651","0.003","90","","2923.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 Cl O7 -","- C31.9988 H38.999 Cl0.9998 O7 -","- C127.995 H155.996 Cl3.9992 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0522","0.0372","","","0.0935","0.1016","","","","","","1.056","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249136","14.823","0.007","21.293","0.007","9.842","0.004","90","","109.908","0.006","90","","2921","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31.69 H38.74 Br0.95 O7 -","- C31.7 H38.75 Br0.95 O7 -","- C126.8 H155 Br3.8 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0737","0.0583","","","0.1449","0.1502","","","","","","1.009","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249137","14.717","0.003","21.315","0.005","9.962","0.002","90","","109.453","0.003","90","","2946.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 I O7 -","- C32 H39 I O7 -","- C128 H156 I4 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0509","0.0358","","","0.0761","0.0809","","","","","","1.074","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249138","9.71","0.004","13.163","0.005","13.202","0.005","111.592","0.004","103.293","0.004","98.851","0.004","1473","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cl2 O7 -","- C32 H38 Cl2 O7 -","- C64 H76 Cl4 O14 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0758","0.0506","","","0.1233","0.1358","","","","","","1.056","","","","has coordinates","294503","2024-09-06","00:12:35",""
"7249139","11.97","0.002","12.882","0.002","18.795","0.003","91.412","0.002","100.706","0.002","91.957","0.002","2844.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62.25 H64.88 Cl3.38 O12 -","- C62.244 H64.87 Cl3.374 O12 -","- C124.488 H129.74 Cl6.748 O24 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0643","0.0468","","","0.1134","0.1223","","","","","","1.026","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249140","5.4959","0.0001","15.2745","0.0003","13.9065","0.0002","90","","90.756","0.001","90","","1167.31","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O5 S2 -","- C10 H10 N2 O5 S2 -","- C40 H40 N8 O20 S8 -","4","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","1.54184","CuKα","","0.0439","0.0417","","","0.1123","0.1136","","","","","","1.094","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249141","8.3132","0.0002","8.5739","0.0002","16.6728","0.0004","81.781","0.002","88.042","0.002","89.048","0.002","1175.4","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br2 Cd N4 O5 S2 -","- C20 H18 Br2 Cd N4 O5 S2 -","- C40 H36 Br4 Cd2 N8 O10 S4 -","2","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","1.54184","CuKα","","0.0315","0.0293","","","0.0777","0.0784","","","","","","1.072","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249142","11.9566","0.0004","12.1665","0.0003","16.0453","0.0005","90","","92.158","0.003","90","","2332.45","0.12","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br N2 O2.5 S Zn0.5 -","- C10 H9 Br N2 O2.5 S Zn0.5 -","- C80 H72 Br8 N16 O20 S8 Zn4 -","8","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","0.71073","MoKα","","0.0261","0.0216","","","0.0533","0.0545","","","","","","1.037","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249143","14.3911","0.0009","4.9722","0.0003","13.1778","0.0008","90","","91.829","0.006","90","","942.46","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(Trifluoromethyl)cinnamic acid","trans-3-(trifluoromehtyl)cinnamic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","1","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","x-ray","0.71073","MoKα","","0.0808","0.0584","","","0.1356","0.1474","","","","","","1.106","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249144","7.893","0.0005","8.2222","0.0006","14.6037","0.0012","89.86","0.006","88.678","0.006","82.349","0.006","939.06","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","trans-4-(trifluoromethyl)cinnamic acid illuminated to beta-truxinic acid","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C40 H28 F12 O8 -","2","1","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","x-ray","0.71073","MoKα","","0.1446","0.0905","","","0.2737","0.323","","","","","","1.049","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249145","7.8672","0.0005","7.9953","0.0006","14.9972","0.0011","91.368","0.006","93.753","0.005","94.796","0.005","937.61","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","trans-4-(trifluoromethyl) cinnamic acid","trans-4-(trifluoromethyl) cinnamic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","","0.71073","MoKα","","0.0757","0.0498","","","0.1529","0.171","","","","","","1.071","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249146","6.8624","0.0007","13.4464","0.0016","19.361","0.002","90","","90","","90","","1786.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N4 Ni O8 -","- C16 H18 N4 Ni O8 -","- C64 H72 N16 Ni4 O32 -","4","0.5","","Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang","Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity","CrystEngComm","2024","26","35","4855","4870","10.1039/D4CE00480A","","","0.71073","MoKα","","0.1211","0.0593","","","0.1037","0.1241","","","","","","1.042","","","","has coordinates","295230","2024-10-06","07:33:54",""
"7249147","13.9347","0.0015","7.1605","0.0008","8.9773","0.001","90","","95.289","0.004","90","","891.94","0.17","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H22 N8 Ni O4 -","- C16 H22 N8 Ni O4 -","- C32 H44 N16 Ni2 O8 -","2","0.25","","Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang","Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity","CrystEngComm","2024","26","35","4855","4870","10.1039/D4CE00480A","","","1.34138","GaKα","","0.0378","0.035","","","0.0845","0.0859","","","","","","1.084","","","","has coordinates","295230","2024-10-06","07:33:55",""
"7249174","7.9885","0.0004","21.6907","0.0012","18.2297","0.0012","90","","90","","90","","3158.8","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H8 Eu N3 O11 -","- C14 H8 Eu N3 O11 -","- C112 H64 Eu8 N24 O88 -","8","1","","Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz","Dual ligand based 3D Eu(iii) MOF as a multifunctional sensor for trace amounts of NACs, Cr3+ and Hg2+ in aqueous medium: synthesis, crystal structure and latent fingerprint detection","CrystEngComm","2024","26","36","5013","5029","10.1039/D4CE00621F","","","0.71073","MoKα","","0.0519","0.04","","","0.0977","0.1055","","","","","","1.0517","","","","has coordinates","295222","2024-10-06","07:32:43",""
"7249175","37.617","0.003","10.063","0.0007","10.2534","0.0007","90","","105.192","0.003","90","","3745.7","0.5","298","0.2","296.15","","","","","","","","","6","C 1 2 1","C 2y","5","","Fluoxetine sulfate","","- C34 H38 F6 N2 O6 S -","- C34 H38 F6 N2 O6 S -","- C136 H152 F24 N8 O24 S4 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.71073","MoKα","","0.1179","0.0828","","","0.2323","0.267","","","","","","1.035","","","","has coordinates,has disorder","295220","2024-10-06","07:32:17",""
"7249176","36.047","0.007","10.1156","0.0017","10.3307","0.0016","90","","106.07","0.011","90","","3619.8","1.1","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","Fluoxetine sulfate hydrate","","- C17 H21 F3 N O3.97 S0.5 -","- C17 H21 F3 N O3.975 S0.5 -","- C136 H168 F24 N8 O31.8 S4 -","8","2","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.71073","MoKα","","0.1398","0.1315","","","0.2832","0.2879","","","","","","1.086","","","","has coordinates,has disorder","295220","2024-10-06","07:32:17",""
"7249177","6.08","0.0019","10.89","0.0016","27.6","0.003","90","","90","","90","","1827.4","0.7","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Fluoxetine tetrafluoroborate","","- C17 H19 B F7 N O -","- C17 H19 B F7 N O -","- C68 H76 B4 F28 N4 O4 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.670185","synchrotron","","0.0322","0.032","","","0.0907","0.0909","","","","","","1.064","","","","has coordinates","295220","2024-10-06","07:32:17",""
"7249179","12.6993","0.0011","16.3312","0.0014","14.3395","0.0011","90","","100.32","0.003","90","","2925.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N3 O -","- C41 H29 N3 O -","- C164 H116 N12 O4 -","4","1","","Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich","Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices","CrystEngComm","2024","26","34","4698","4707","10.1039/D4CE00660G","","x-ray","0.71073","MoKα","","0.0505","0.04","","","0.0945","0.1005","","","","","","1.043","","","","has coordinates","294530","2024-09-06","00:19:57",""
"7249180","10.6202","0.0017","11.1341","0.0018","13.581","0.002","106.157","0.005","97.582","0.005","98.728","0.006","1498.7","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N3 O -","- C41 H31 N3 O -","- C82 H62 N6 O2 -","2","1","","Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich","Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices","CrystEngComm","2024","26","34","4698","4707","10.1039/D4CE00660G","","x-ray","0.71073","MoKα","","0.0688","0.0462","","","0.102","0.1131","","","","","","1.039","","","","has coordinates,has disorder","294530","2024-09-06","00:19:57",""
"7249181","9.0487","0.0004","16.0617","0.001","26.212","0.0016","90","","90","","90","","3809.6","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 Br N4 O6 S -","- C41 H41 Br N4 O6 S -","- C164 H164 Br4 N16 O24 S4 -","4","1","","Zhang, Xiaowen; Meng, Dongshuo; Zang, Zongwu; Xu, Zhiru; Liu, Yu","New bedaquiline salt with improved bioavailability and reduced food effect","CrystEngComm","2024","26","36","5071","5077","10.1039/D4CE00567H","","","0.71073","MoKα","","0.095","0.0514","","","0.082","0.0997","","","","","","0.998","","","","has coordinates","295223","2024-10-06","07:32:50",""
"7249182","14.2165","0.0003","6.2003","0.00011","28.4449","0.0005","90","","92.0239","0.0018","90","","2505.76","0.08","293","2","293","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Co N8 O12 -","- C18 H31 Co N8 O12 -","- C72 H124 Co4 N32 O48 -","4","1","","Singh, Manjeet; Narang, Karan Kumar; Kaur, Yashpreet; Patra, Ranjan; Nanda, Prasant K.; Sahoo, Subash C.","Synthesis and characterization of a dual-stimuli-responsive cobalt(iii) complex: comparison of photo-/thermo-mechanical behaviour in crystal and polymer composites","CrystEngComm","2024","26","36","5004","5012","10.1039/D4CE00638K","","x-ray","0.71073","MoKα","","0.0587","0.0548","","","0.1295","0.1309","","","","","","1.163","","","","has coordinates,has disorder","295226","2024-10-06","07:33:23",""
"7249185","10.1722","0.0011","11.4638","0.0013","13.3885","0.0016","112.942","0.002","112.305","0.002","90.803","0.002","1305.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Co N6 O7 -","- C26 H16 Co N6 O4 -","- C52 H32 Co2 N12 O8 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.0429","0.0366","","","0.0934","0.0969","","","","","","1.0859","","","","has coordinates","295224","2024-10-06","07:33:02",""
"7249186","10.1872","0.0008","11.7035","0.0009","13.0008","0.001","113.549","0.001","110.346","0.001","90.932","0.001","1310.4","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Co N7 O5 -","- C29 H23 Co N7 O5 -","- C58 H46 Co2 N14 O10 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.039","0.0342","","","0.0903","0.0933","","","","","","1.054","","","","has coordinates,has disorder","295224","2024-10-06","07:33:02",""
"7249187","10.242","0.007","12.786","0.008","13.807","0.009","63.824","0.012","70.563","0.013","79.963","0.013","1529.4","1.7","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Co N9 O5 -","- C35 H24 Co N9 O5 -","- C70 H48 Co2 N18 O10 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.1402","0.0731","","","0.1637","0.1961","","","","","","0.981","","","","has coordinates","295224","2024-10-06","07:33:02",""
"7249188","15.6623","0.001","8.77","0.0005","20.8453","0.0013","90","","99.843","0.001","90","","2821.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Co N6 O8 -","- C29 H24 Co N6 O8 -","- C116 H96 Co4 N24 O32 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.055","0.0386","","","0.0916","0.1028","","","","","","1.009","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249189","10.546","0.008","12.516","0.009","12.968","0.009","68.893","0.012","79.659","0.013","72.373","0.011","1517.1","1.9","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 Cu N5 O7 S -","- C32 H31 Cu N5 O7 S -","- C64 H62 Cu2 N10 O14 S2 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.2224","0.0969","","","0.2063","0.2647","","","","","","1.029","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249190","10.8462","0.0016","11.8643","0.0017","14.141","0.002","68.98","0.002","72.701","0.002","73.901","0.002","1591.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Cu N4 O7 S -","- C33 H34 Cu N4 O7 S -","- C66 H68 Cu2 N8 O14 S2 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0445","0.0367","","","0.0941","0.0994","","","","","","1.02","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249191","11.1269","0.0011","14.2736","0.0014","19.7719","0.0019","90","","94.637","0.002","90","","3129.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Co N4 O6 -","- C36 H32 Co N4 O6 -","- C144 H128 Co4 N16 O24 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0328","0.0289","","","0.0727","0.0752","","","","","","1.049","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249192","15.6033","0.0015","8.651","0.0008","20.8418","0.0018","90","","101.023","0.001","90","","2761.4","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N6 O8 Zn -","- C29 H24 N6 O8 Zn -","- C116 H96 N24 O32 Zn4 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0348","0.029","","","0.071","0.0743","","","","","","1.03","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249193","7.8426","0.0004","11.9237","0.0006","16.445","0.0009","89.791","0.001","87.687","0.001","73.487","0.001","1473.14","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 N6 Ni O8 -","- C31 H28 N6 Ni O8 -","- C62 H56 N12 Ni2 O16 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0302","0.0276","","","0.0689","0.0704","","","","","","1.026","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7249203","10.1343","0.0009","10.7473","0.0009","13.9008","0.0012","71.026","0.002","88.874","0.002","82.993","0.002","1420.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Co N4 O8 -","- C29 H28 Co N4 O8 -","- C58 H56 Co2 N8 O16 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0914","0.0511","","","0.0948","0.1083","","","","","","1.009","","","","has coordinates","295221","2024-10-06","07:32:27",""
"7249204","9.834","0.004","11.041","0.005","11.166","0.005","85.008","0.01","76.029","0.011","85.758","0.011","1170.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Co N2 O8 -","- C23 H25 Co N2 O8 -","- C46 H50 Co2 N4 O16 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0815","0.0446","","","0.0843","0.0953","","","","","","1.007","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249205","27.7041","0.0011","9.3364","0.0004","10.62","0.0004","90","","95.3715","0.0013","90","","2734.87","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Co N4 O8 -","- C29 H28 Co N4 O8 -","- C116 H112 Co4 N16 O32 -","4","0.5","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0575","0.0343","","","0.0795","0.0895","","","","","","1.027","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249206","11.4825","0.0004","21.8344","0.0006","11.8159","0.0004","90","","114.862","0.0009","90","","2687.86","0.15","107","2","107","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24.5 Co N4 O6.25 -","- C29 H24.5 Co N4 O6.25 -","- C116 H98 Co4 N16 O25 -","4","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0731","0.0461","","","0.101","0.1126","","","","","","1.022","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249207","8.9391","0.0009","9.8609","0.001","17.51","0.0018","90","","93.993","0.002","90","","1539.7","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H32 Co N4 O10 -","- C29 H32 Co N4 O10 -","- C58 H64 Co2 N8 O20 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0942","0.0515","","","0.0997","0.1134","","","","","","1.005","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249208","9.4075","0.0006","10.5966","0.0007","10.7909","0.0007","75.498","0.006","87.29","0.005","88.701","0.005","1040.21","0.12","117.4","0.14","117.4","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C5 H3 N9 O6 -","- C5 H3 N9 O6 -","- C20 H12 N36 O24 -","4","2","","Dong, Wen-Shuai; Zhang, Chao; Xu, Mei-Qi; Lu, Zu-Jia; Li, Zhi-Min; Yu, Qi-Yao; Zhang, Jian-Guo","Asymmetric functionalized modification of bi(1,2,4-triazole) towards high-energy insensitive materials","CrystEngComm","2024","26","37","5202","5207","10.1039/D4CE00141A","","x-ray","0.71073","MoKα","","0.0539","0.0427","","","0.0953","0.1039","","","","","","1.07","","","","has coordinates","295216","2024-10-06","07:30:44",""
"7249209","8.8318","0.0004","14.6939","0.0006","16.5191","0.0007","85.383","0.0015","83.159","0.0016","77.5052","0.0014","2074.75","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9H-xanthen-9-yl)butane-1,4-diamine","","","- C51 H42 Cl3 N2 O2 -","- C51 H42 Cl3 N2 O2 -","- C102 H84 Cl6 N4 O4 -","2","1","","Barnardo, Brandon; Barton, Benita; Hosten, Eric C.","Alternative separation strategy for o-/p-dichlorobenzene mixtures through supramolecular chemistry protocols","CrystEngComm","2024","26","35","4876","4885","10.1039/D4CE00684D","","","0.71073","MoKα","","0.0927","0.0576","","","0.1372","0.1807","","","","","","1.112","","","","has coordinates,has disorder","295229","2024-10-06","07:33:47",""
"7249210","10.3738","0.0007","8.305","0.0005","13.8405","0.0009","90","","103.676","0.002","90","","1158.61","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine","Azathioprine","","- C9 H7 N7 O2 S -","- C9 H7 N7 O2 S -","- C36 H28 N28 O8 S4 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.0751","0.0432","","","0.1107","0.1284","","","","","","1.054","","","","has coordinates","295217","2024-10-06","07:30:57",""
"7249211","4.5053","0.0003","25.0747","0.0013","24.4596","0.0013","90","","91.789","0.002","90","","2761.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine monohydrate","Azathioprine monohydrate","","- C9 H7 N7 O3 S -","- C9 H7 N7 O3 S -","- C72 H56 N56 O24 S8 -","8","2","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.11","0.0661","","","0.1855","0.2204","","","","","","1.03","","","","has coordinates,has disorder","295217","2024-10-06","07:30:58",""
"7249212","4.4622","0.0008","15.295","0.002","19.852","0.003","90","","92.035","0.011","90","","1354","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine-hemidioxane solvate","Azathioprine-hemidioxane solvate","","- C11 H11 N7 O3 S -","- C11 H11 N7 O3 S -","- C44 H44 N28 O12 S4 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.1192","0.0594","","","0.1333","0.1569","","","","","","0.991","","","","has coordinates,has disorder","295217","2024-10-06","07:30:58",""
"7249213","4.379","0.0004","25.0168","0.0019","24.5692","0.0018","90","","91.152","0.006","90","","2691","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine-2-methoxyethanol hydrate","Azathioprine-2-methoxyethanol hydrate","","- C21 H24 N14 O7 S2 -","- C21 H24 N14 O7 S2 -","- C84 H96 N56 O28 S8 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.1609","0.0703","","","0.1438","0.1768","","","","","","0.99","","","","has coordinates","295217","2024-10-06","07:30:58",""
"7249218","11.2957","0.0012","12.2233","0.0012","24.689","0.003","75.969","0.005","89.341","0.006","62.754","0.004","2920.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 Br N2 O10 -","- C62 H75 Br N2 O10 -","- C124 H150 Br2 N4 O20 -","2","1","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","0.71075","MoKα","","0.2748","0.1037","","","0.2568","0.3433","","","","","","1.007","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249219","20.9763","0.0019","12.9809","0.001","24.889","0.002","90","","106.73","0.008","90","","6490.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H146 Br2 Cl12 O21 -","- C124 H146 Br2 Cl12 O21 -","- C248 H292 Br4 Cl24 O42 -","2","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","0.71075","MoKα","","0.1962","0.0896","","","0.2477","0.315","","","","","","0.983","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249220","19.657","0.0004","16.4198","0.0003","37.8697","0.0007","90","","90.498","0.001","90","","12222.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H81 Br N2 O12 -","- C62 H81 Br N2 O12 -","- C496 H648 Br8 N16 O96 -","8","1","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.0588","0.0543","","","0.1602","0.1656","","","","","","1.032","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249221","19.665","0.002","16.584","0.002","38.621","0.004","90","","91.573","0.006","90","","12591","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C127 H154 Br2 N5 O20 -","- C127 H154 Br2 N5 O20 -","- C508 H616 Br8 N20 O80 -","4","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.1349","0.1121","","","0.3233","0.3467","","","","","","1.591","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249222","19.6591","0.0004","16.4212","0.0004","37.8641","0.0008","90","","90.487","0.001","90","","12223.1","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C245 H317 Br4 N7 O47 -","- C245 H317 Br4 N7 O47 -","- C490 H634 Br8 N14 O94 -","2","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.0634","0.057","","","0.1739","0.1868","","","","","","1.039","","","","has coordinates","295215","2024-10-06","07:30:37",""
"7249228","17.628","0.0006","15.8038","0.0008","15.6293","0.0014","90","","90","","90","","4354.2","0.5","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 N5 O6 Zn -","- C18.997 H17.996 N5 O6 Zn -","- C151.976 H143.968 N40 O48 Zn8 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","x-ray","0.71073","MoKα","","0.0648","0.0537","","","0.165","0.1722","","","","","","1.098","","","","has coordinates,has disorder","295219","2024-10-06","07:31:57",""
"7249229","17.449","0.008","15.828","0.003","15.959","0.013","90","","90","","90","","4408","4","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 Co N5 O6 -","- C19 H18 Co N5 O6 -","- C152 H144 Co8 N40 O48 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.1374","0.0779","","","0.2281","0.2727","","","","","","0.902","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7249230","32.038","0.017","15.774","0.011","17.871","0.006","90","","90","","90","","9031","8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H21 Br N4 O5 Zn -","- C19 H18.375 Br N4 O4 Zn -","- C304 H294 Br16 N64 O64 Zn16 -","16","2","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.2196","0.1342","","","0.3947","0.4501","","","","","","1.03","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7249231","7.754","0.0016","9.506","0.0019","24.648","0.005","90","","96.48","0.03","90","","1805.2","0.6","221","2","221","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.0916","0.053","","","0.1165","0.1311","","","","","","1.008","","","","has coordinates","295214","2024-10-06","07:30:03",""
"7249232","17.95","0.004","18.111","0.004","14.354","0.003","90","","123.79","0.03","90","","3878","2","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.062","0.0454","","","0.1152","0.1241","","","","","","1.049","","","","has coordinates","295214","2024-10-06","07:30:12",""
"7249233","12.001","0.002","12.848","0.003","15.283","0.003","67.14","0.03","84.08","0.03","70.78","0.03","2049.5","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.1592","0.0735","","","0.2089","0.2533","","","","","","0.916","","","","has coordinates","295214","2024-10-06","07:30:13",""
"7249234","7.3616","0.0004","14.2632","0.0006","19.3471","0.0008","90","","90","","90","","2031.44","0.16","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H4 N22 O2 Pb3 -","- C8 H4 N22 O2 Pb3 -","- C32 H16 N88 O8 Pb12 -","4","0.5","","Li, Shu-Xian; Bi, Chong-Yuan; Wang, Yu-Chen; Yang, Hong-Kun; Yu, Yang; Jing, Zhihong; He, Yuan-Chun","Two novel emissive Pb(ii) coordination polymers: syntheses, structures, properties and WLED application","CrystEngComm","2024","26","35","4848","4854","10.1039/D4CE00607K","","","0.71073","MoKα","","0.0728","0.0523","","","0.1535","0.1696","","","","","","1.088","","","","has coordinates,has disorder","295228","2024-10-06","07:33:39",""
"7249235","11.0514","0.0006","8.226","0.0006","19.8646","0.0012","90","","90.055","0.002","90","","1805.9","0.2","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N22 O3 Pb -","- C8 H10 N22 O3 Pb -","- C32 H40 N88 O12 Pb4 -","4","0.5","","Li, Shu-Xian; Bi, Chong-Yuan; Wang, Yu-Chen; Yang, Hong-Kun; Yu, Yang; Jing, Zhihong; He, Yuan-Chun","Two novel emissive Pb(ii) coordination polymers: syntheses, structures, properties and WLED application","CrystEngComm","2024","26","35","4848","4854","10.1039/D4CE00607K","","","0.71073","MoKα","","0.0392","0.0384","","","0.0982","0.0985","","","","","","1.219","","","","has coordinates","295228","2024-10-06","07:33:40",""
"7249237","13.3139","0.0006","13.6689","0.0006","19.2341","0.0009","86.6362","0.0008","88.2811","0.0008","76.7955","0.0007","3401.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Cd3 N8 O20 -","- C46 H18 Cd3 O20 -","- C92 H36 Cd6 O40 -","2","1","","Lan, Xue; Yang, Li; Wang, Jun; Lu, Lu; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav; Pan, Ying","A new Cd(ii)-based MOF displaying flu topology as a highly sensitive and selective photoluminescent sensor for ferric and chromate ions","CrystEngComm","2024","26","38","5371","5379","10.1039/D4CE00645C","","","0.71073","MoKα","","0.0375","0.0287","","","0.0715","0.075","","","","","","1.014","","","","has coordinates","295235","2024-10-06","07:35:37",""
"7249238","21.889","0.002","18.2804","0.0018","23.621","0.002","90","","90","","90","","9451.7","1.5","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F18 N6 O10 Tb -","- C38 H36 F18 N6 O10 Tb -","- C304 H288 F144 N48 O80 Tb8 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.0311","0.0256","","","0.0626","0.066","","","","","","1.039","","","","has coordinates,has disorder","295234","2024-10-06","07:35:25",""
"7249239","20.971","0.003","18.677","0.003","21.585","0.003","90","","90","","90","","8454","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F18 N6 O8 Pr -","- C34 H24 F18 N6 O8 Pr -","- C272 H192 F144 N48 O64 Pr8 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.1559","0.0959","","","0.2248","0.3042","","","","","","1.211","","","","has coordinates","295234","2024-10-06","07:35:26",""
"7249240","20.994","0.005","18.661","0.004","21.608","0.005","90","","90","0.007","90","","8465","3","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F18 N6 Nd O8 -","- C34 H24 F18 N6 Nd O8 -","- C272 H192 F144 N48 Nd8 O64 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.1078","0.0536","","","0.1209","0.1646","","","","","","1.152","","","","has coordinates","295234","2024-10-06","07:35:28",""
"7249241","21.8966","0.0011","18.2508","0.001","23.5379","0.0013","90","","90","","90","","9406.5","0.9","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Dy F18 N6 O10 -","- C38 H36 Dy F18 N6 O10 -","- C304 H288 Dy8 F144 N48 O80 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.0361","0.0313","","","0.0885","0.0906","","","","","","1.063","","","","has coordinates,has disorder","295234","2024-10-06","07:35:28",""
"7249249","19.8615","0.0012","17.7218","0.001","17.2448","0.0012","90","","90","","90","","6069.9","0.7","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C54 H48 Cl2 N3 O21 Zr6 -","- C54 H48 Cl2 N3 O21 Zr6 -","- C216 H192 Cl8 N12 O84 Zr24 -","4","0.25","","Xu, Ting-Ting; Wei, De-Sheng; Li, Shuang-Bao; Zhang, Yu-Teng; Lv, Nan","One-step synthesis of pure-phase amino-functionalized zirconium-based capsule ZrC-1-NH2 for photocatalytic degradation of tetracycline","CrystEngComm","2024","26","38","5431","5439","10.1039/D4CE00721B","","","1.34139","GaKα","","0.0716","0.068","","","0.1991","0.2027","","","","","","1.046","","","","has coordinates","295236","2024-10-06","07:35:45",""
"7249250","17.9102","0.0006","7.1842","0.0003","18.6886","0.0007","90","","103.454","0.002","90","","2338.68","0.15","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H16 N4 O2 -","- C33 H16 N4 O2 -","- C132 H64 N16 O8 -","4","1","","Zhang, Jiacheng; Yao, Lei; Li, Wenju; Zhang, Yongyi; Jin, Tao; Wang, Guan; Zhang, Jing; Zhao, Jianfeng","Red luminescent helical ribbons based on a non-polar charge-transfer complex","CrystEngComm","2024","26","35","4777","4781","10.1039/D4CE00733F","","","1.54178","CuKα","","0.073","0.0491","","","0.121","0.1371","","","","","","1.025","","","","has coordinates","295231","2024-10-06","07:34:02",""
"7249251","6.5962","0.0001","9.2091","0.0002","42.8057","0.0008","90","","93.645","0.001","90","","2594.98","0.08","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N2 S2 -","- C29 H18 F6 N2 S2 -","- C116 H72 F24 N8 S8 -","4","1","","Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group","CrystEngComm","2024","26","36","5090","5098","10.1039/D4CE00717D","","","0.71073","MoKa","","0.0535","0.0482","","","0.1303","0.1329","","","","","","1.04","","","","has coordinates,has disorder","295227","2024-10-06","07:33:31",""
"7249252","6.5925","0.0001","9.2167","0.0002","42.8136","0.0009","90","","93.633","0.001","90","","2596.17","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N2 S2 -","- C29 H18 F6 N2 S2 -","- C116 H72 F24 N8 S8 -","4","1","","Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group","CrystEngComm","2024","26","36","5090","5098","10.1039/D4CE00717D","","","0.71073","MoKa","","0.0623","0.0555","","","0.156","0.1591","","","","","","1.067","","","","has coordinates,has disorder","295227","2024-10-06","07:33:31",""
"7249257","45.2038","0.0008","19.0461","0.0003","28.9481","0.0005","90","","114.7","0.001","90","","22642.8","0.7","193","","193","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","123","","- C72 H56.82 Cu4 I2 N14 O2 S4 W -","- C65.9996 H42.812 Cu4 I2 N12.0004 S4 W -","- C527.997 H342.496 Cu32 I16 N96.0032 S32 W8 -","8","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0672","0.0479","","","0.139","0.1506","","","","","","1.061","","","","has coordinates,has disorder","296469","2024-12-06","17:37:20",""
"7249258","13.515","0.0004","17.6465","0.0007","28.1103","0.0009","90","","93.475","0.002","90","","6691.8","0.4","193","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 Cu4 I2 N11 O3 S4 W -","- C49 H49 Cu4 I2 N11 O3 S4 W -","- C196 H196 Cu16 I8 N44 O12 S16 W4 -","4","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0622","0.0497","","","0.137","0.1454","","","","","","1.049","","","","has coordinates,has disorder","296469","2024-12-06","17:37:21",""
"7249259","11.3271","0.0005","13.5211","0.0006","33.2108","0.0016","90","","90","","90","","5086.4","0.4","213","","213","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H57 Cl5 Cu4 N6 O2 S6 W -","- C31 H57 Cl5 Cu4 N6 O2 S6 W -","- C124 H228 Cl20 Cu16 N24 O8 S24 W4 -","4","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0674","0.0636","","","0.1467","0.1491","","","","","","1.059","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249260","11.839","0.0007","13.8931","0.0008","21.9722","0.0014","82.885","0.004","77.181","0.004","89.955","0.003","3495.5","0.4","223","","223","","","","","","","","","8","P 1","P 1","1","","","","- C72 H132 Cu10 I12 Mo2 N18 O6 S8 -","- C54 H90 Cu10 I12 Mo2 N12 S8 -","- C54 H90 Cu10 I12 Mo2 N12 S8 -","1","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.1066","0.0902","","","0.2435","0.2661","","","","","","0.993","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249261","11.3261","0.0007","13.5698","0.0008","33.11","0.002","90","","90.112","0.003","90","","5088.8","0.5","193","","193","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C66 H125 Br2 Cl8 Cu8 N12 O6 S14 W2 -","- C66 H125 Br2 Cl8 Cu8 N12 O6 S14 W2 -","- C132 H250 Br4 Cl16 Cu16 N24 O12 S28 W4 -","2","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0501","0.0467","","","0.1346","0.139","","","","","","1.052","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249262","20.0824","0.0003","20.0824","0.0003","20.0824","0.0003","90","","90","","90","","8099.3","0.2","213","","213","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H51 Cu3 I4 N6 S4 W -","- C30 H51 Cu3 I4 N6 S4 W -","- C240 H408 Cu24 I32 N48 S32 W8 -","8","0.333333","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","0.71073","MoKα","","0.0321","0.0311","","","0.0958","0.0967","","","","","","1.063","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249263","19.6933","0.0003","19.6933","0.0003","19.6933","0.0003","90","","90","","90","","7637.6","0.2","223","","223","","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C30 H51 Br Cl3 Cu3 N6 S4 W -","- C30 H51 Br Cl3 Cu3 N6 S4 W -","- C240 H408 Br8 Cl24 Cu24 N48 S32 W8 -","8","0.333333","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","0.71073","MoKα","","0.068","0.0621","","","0.1989","0.2049","","","","","","0.912","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249264","19.6427","0.0017","18.5826","0.0016","8.2741","0.0006","90","","90","","90","","3020.1","0.4","100","2","100","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0388","0.0365","","","0.096","0.0985","","","","","","1.051","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249265","19.6451","0.0012","18.8313","0.0011","8.3108","0.0004","90","","90","","90","","3074.5","0.3","200","2","200","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0515","0.0448","","","0.1205","0.1273","","","","","","1.044","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249266","19.6437","0.0013","18.7051","0.0012","8.2918","0.0005","90","","90","","90","","3046.7","0.3","150","2","150","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.045","0.0414","","","0.1091","0.1125","","","","","","1.082","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249267","19.6354","0.0011","18.9619","0.001","8.3324","0.0004","90","","90","","90","","3102.4","0.3","250","2","250","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0593","0.0469","","","0.124","0.1359","","","","","","1.047","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249268","19.6266","0.001","19.0995","0.0009","8.357","0.0004","90","","90","","90","","3132.7","0.3","300","2","300","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0638","0.051","","","0.1446","0.1587","","","","","","1.089","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249269","19.6202","0.0013","19.2474","0.0012","8.3912","0.0005","90","","90","","90","","3168.8","0.3","350","2","350","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0799","0.0572","","","0.1607","0.1822","","","","","","1.063","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249270","14.0652","0.0003","8.189","0.0002","17.7221","0.0004","90","","103.601","0.002","90","","1983.99","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cesium cerium iodate","dicesium cerium hexaiodate","","- Ce Cs2 I6 O18 -","- Ce Cs2 I6 O18 -","- Ce4 Cs8 I24 O72 -","4","0.5","","Grigorieva, Oksana P.; Shvanskaya, Larisa V.; Shatalova, Tatiana B.; Zolotarev, Andrey A.; Berdonosov, Peter S.; Dolgikh, Valery A.","Novel cesium cerium(iv) iodate Cs2Ce(IO3)6: hydrothermal synthesis, crystal structures and thermal stability","CrystEngComm","2024","26","39","5599","5606","10.1039/D4CE00722K","","","0.71073","MoKα","","0.0179","0.0164","","","0.0361","0.0365","","","","","","1.075","","","","has coordinates","296462","2024-12-06","17:30:26",""
"7249287","11.7197","0.0002","12.7121","0.0002","17.4599","0.0003","74.413","0.002","71.436","0.002","86.54","0.001","2374.28","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H88 Dy2 N10 O46 -","- C96 H88 Dy2 N10 O46 -","- C96 H88 Dy2 N10 O46 -","1","0.5","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","","0.71073","MoKα","","0.0489","0.0398","","","0.1018","0.1059","","","","","","1.072","","","","has coordinates,has disorder","295232","2024-10-06","07:34:18",""
"7249288","8.877","0.0003","37.7347","0.0009","8.9024","0.0004","90","","119.789","0.005","90","","2588","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Dy N2 O14 -","- C28 H19 Dy N2 O14 -","- C112 H76 Dy4 N8 O56 -","4","1","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","x-ray","0.71073","MoKα","","0.0483","0.0382","","","0.0738","0.0768","","","","","","1.124","","","","has coordinates","295232","2024-10-06","07:34:18",""
"7249289","11.554","0.0002","12.8863","0.0002","19.4414","0.0003","83.021","0.001","74.564","0.002","84.63","0.001","2763.83","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Dy N7 O25 -","- C54 H58 Dy N7 O25 -","- C108 H116 Dy2 N14 O50 -","2","1","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","x-ray","1.54184","CuKα","","0.0588","0.0514","","","0.1348","0.1396","","","","","","1.054","","","","has coordinates,has disorder","295232","2024-10-06","07:34:18",""
"7249292","7.1863","0.0006","12.593","0.0011","12.7172","0.0008","73.565","0.007","88.489","0.006","82.365","0.007","1093.98","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","nitropentaamminecobalt(III)-nitro-nitritopentaamminecobalt(III)tri-iodidechloride(nitrito-deficient)","nitropentaamminecobalt(III)-nitro-nitritopentaamminecobalt(III)tri-iodidechloride(nitrito-deficient)","","- Cl Co2 H30 I3 N12 O4 -","- Cl Co2 H30 I3 N12 O4 -","- Cl2 Co4 H60 I6 N24 O8 -","2","1","","Kalinina, Polina P.; Zakharov, Boris A.","Unusual linkage photoisomerization in [Co(NH3)2NO2]2I3Cl single crystals","CrystEngComm","2024","26","36","4958","4963","10.1039/D4CE00734D","","","0.71073","MoKα","","0.0617","0.0415","","","0.0966","0.1035","","","","","","1.032","","","","has coordinates,has disorder","295218","2024-10-06","07:31:44",""
"7249293","7.184","0.0003","12.5765","0.0004","12.7925","0.0004","72.667","0.003","88.833","0.003","82.125","0.003","1092.65","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","di-pentaamminenitrocobalt(III)tri-iodidechloride","di-pentaamminenitrocobalt(III)tri-iodidechloride","","- Cl Co2 H30 I3 N12 O4 -","- Cl Co2 H30 I3 N12 O4 -","- Cl2 Co4 H60 I6 N24 O8 -","2","1","","Kalinina, Polina P.; Zakharov, Boris A.","Unusual linkage photoisomerization in [Co(NH3)2NO2]2I3Cl single crystals","CrystEngComm","2024","26","36","4958","4963","10.1039/D4CE00734D","","","0.71073","MoKα","","0.0359","0.0268","","","0.061","0.071","","","","","","1.11","","","","has coordinates","295218","2024-10-06","07:31:45",""
"7249294","17.2168","0.0004","13.7528","0.0003","31.2747","0.0008","90","","90","","90","","7405.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H24 N5 Nd O7 -","- C32 H24 N5 Nd O7 -","- C256 H192 N40 Nd8 O56 -","8","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.0732","0.0538","","","0.1359","0.152","","","","","","1.038","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249295","16.9927","0.0002","13.7367","0.0002","31.1677","0.0004","90","","90","","90","","7275.28","0.17","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H14 Gd N4 O6 -","- C28 H14 Gd N4 O6 -","- C224 H112 Gd8 N32 O48 -","8","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.0614","0.0448","","","0.1143","0.1226","","","","","","1.034","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249296","20.278","0.002","19.807","0.003","13.8628","0.0013","90","","90.242","0.01","90","","5567.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 N4 Nd O6 -","- C34 H19 N4 Nd O6 -","- C136 H76 N16 Nd4 O24 -","4","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.1738","0.1502","","","0.432","0.4566","","","","","","1.008","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249297","20.1","0.002","15.437","0.0019","17.768","0.003","90","","90.956","0.013","90","","5512.4","1.3","100","3","100","3","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H37 N6 Nd O6 -","- C41 H37 N6 Nd O6 -","- C164 H148 N24 Nd4 O24 -","4","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.1659","0.0766","","","0.1715","0.2057","","","","","","0.898","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249298","24.8521","0.0012","15.2782","0.0004","29.4804","0.0011","90","","94.618","0.004","90","","11157.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H27.5 Gd N4.5 O6.62 -","- C42 H27.5 Gd N4.5 O6.625 -","- C336 H220 Gd8 N36 O53 -","8","2","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.1811","0.0935","","","0.2557","0.3105","","","","","","0.976","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249299","11.3262","0.0017","15.883","0.002","16.168","0.002","90","","109.122","0.006","90","","2748","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 Br4 N4 O8 -","- C62 H60 Br4 N4 O8 -","- C124 H120 Br8 N8 O16 -","2","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0369","0.0345","","","0.0924","0.0945","","","","","","1.026","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249300","10.8936","0.001","11.346","0.001","12.0159","0.0011","68.692","0.004","89.676","0.004","86.232","0.004","1380.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Br4 N4 O12 -","- C62 H60 Br4 N4 O12 -","- C62 H60 Br4 N4 O12 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0509","0.0482","","","0.1331","0.1358","","","","","","1.041","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249301","10.7974","0.0015","11.3923","0.0016","12.1371","0.0017","67.421","0.004","88.195","0.005","85.102","0.004","1373.5","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Br4 N4 O10 -","- C52 H44 Br4 N4 O4 -","- C52 H44 Br4 N4 O4 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0317","0.0298","","","0.081","0.0822","","","","","","1.057","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249302","10.7974","0.0015","11.3923","0.0016","12.1371","0.0017","67.421","0.004","88.195","0.005","85.102","0.004","1373.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.84 H58.15 Br4 N4 O9.3 -","- C60.84 H58.144 Br4 N4 O9.304 -","- C60.84 H58.144 Br4 N4 O9.304 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0574","0.055","","","0.1591","0.161","","","","","","1.087","","","","has coordinates,has disorder","295238","2024-10-06","07:36:11",""
"7249303","11.6223","0.0018","15.384","0.002","15.956","0.003","90","","109.037","0.005","90","","2696.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Br4 N4 O8 -","- C60 H60 Br4 N4 O8 -","- C120 H120 Br8 N8 O16 -","2","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0342","0.0328","","","0.091","0.0927","","","","","","1.06","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249304","24.8694","0.0003","7.34027","0.00012","15.1137","0.0002","90","","102.084","0.0013","90","","2697.84","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F3 I N2 -","- C14 H8 F3 I N2 -","- C112 H64 F24 I8 N16 -","8","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","x-ray","1.54184","CuKα","","0.0494","0.0455","","","0.1178","0.1224","","","","","","1.102","","","","has coordinates,has disorder","295237","2024-10-06","07:35:55",""
"7249305","7.4481","0.0003","12.5608","0.0007","13.0832","0.0008","90","","90","","90","","1223.99","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 -","- C17 H12 N2 -","- C68 H48 N8 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","x-ray","1.54184","CuKα","","0.0507","0.0401","","","0.0968","0.1043","","","","","","1.059","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249306","8.8835","0.0011","8.8835","0.0011","14.4","0.002","90","","90","","90","","1136.4","0.3","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","","1.54184","CuKα","","0.0508","0.0392","","","0.1048","0.1181","","","","","","1.051","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249307","7.2378","0.001","11.8288","0.0014","12.7296","0.0017","90","","92.175","0.005","90","","1089.1","0.2","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C56 H36 N12 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","","0.71073","MoKα","","0.0455","0.0356","","","0.0874","0.0935","","","","","","1.107","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249311","19.69338","0.00009","11.64098","0.00005","16.29945","0.00009","90","","111.348","0.0006","90","","3480.27","0.03","273","2","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Dy N15 O9 -","- C28 H22 Dy N15 O9 -","- C112 H88 Dy4 N60 O36 -","4","0.5","","Zou, Chen; Jiang, Xiaofeng; Mei, Hao; Xu, Guiying; Tan, Jiashuo; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Luminescence and magnetic properties of mononuclear Ln(iii) complexes using an N1-substituted 1,2,3-triazole ligand","CrystEngComm","2024","26","39","5655","5663","10.1039/D4CE00713A","","x-ray","1.54184","CuKα","","0.0213","0.0211","","","0.0582","0.0584","","","","","","1.08","","","","has coordinates","296466","2024-12-06","17:31:41",""
"7249312","19.5199","0.0001","11.4695","0.0001","16.2186","0.0001","90","","111.286","0.001","90","","3383.36","0.05","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N15 O9 Tb -","- C28 H24 N15 O9 Tb -","- C112 H96 N60 O36 Tb4 -","4","0.5","","Zou, Chen; Jiang, Xiaofeng; Mei, Hao; Xu, Guiying; Tan, Jiashuo; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Luminescence and magnetic properties of mononuclear Ln(iii) complexes using an N1-substituted 1,2,3-triazole ligand","CrystEngComm","2024","26","39","5655","5663","10.1039/D4CE00713A","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0817","0.0821","","","","","","1.052","","","","has coordinates","296466","2024-12-06","17:31:42",""
"7249313","19.5223","0.0002","11.4455","0.0001","16.287","0.0001","90","","111.382","0.001","90","","3388.72","0.06","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Eu N15 O9 -","- C28 H24 Eu N15 O9 -","- C112 H96 Eu4 N60 O36 -","4","0.5","","Zou, Chen; Jiang, Xiaofeng; Mei, Hao; Xu, Guiying; Tan, Jiashuo; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Luminescence and magnetic properties of mononuclear Ln(iii) complexes using an N1-substituted 1,2,3-triazole ligand","CrystEngComm","2024","26","39","5655","5663","10.1039/D4CE00713A","","x-ray","1.54184","CuKα","","0.0324","0.0319","","","0.0804","0.0809","","","","","","1.05","","","","has coordinates","296466","2024-12-06","17:31:42",""
"7249314","10.1573","0.0009","12.2406","0.0011","12.6327","0.0012","115.38","0.002","93.68","0.003","107.83","0.002","1315.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 I2 N4 O4 Zn -","- C26 H16 I2 N4 O4 Zn -","- C52 H32 I4 N8 O8 Zn2 -","2","1","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.1023","0.0465","","","0.0805","0.0957","","","","","","1.005","","","","has coordinates","296484","2024-12-06","17:45:28",""
"7249315","25.3483","0.0017","13.9149","0.0008","16.2708","0.001","90","","103.754","0.003","90","","5574.5","0.6","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H39 I4 N9 O9 Zn2 -","- C55 H39 I4 N9 O9 Zn2 -","- C220 H156 I16 N36 O36 Zn8 -","4","0.5","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.087","0.0445","","","0.1268","0.1501","","","","","","0.961","","","","has coordinates,has disorder","296484","2024-12-06","17:45:30",""
"7249316","25.494","0.003","13.9506","0.0019","16.205","0.002","90","","102.081","0.005","90","","5635.8","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H41 I4 N9 O9 Zn2 -","- C57 H41 I4 N9 O9 Zn2 -","- C228 H164 I16 N36 O36 Zn8 -","4","0.5","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.0629","0.0373","","","0.1142","0.1334","","","","","","0.932","","","","has coordinates,has disorder","296484","2024-12-06","17:45:30",""
"7249317","25.493","0.004","13.949","0.003","16.199","0.003","90","","102.121","0.006","90","","5632","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H41 I4 N9 O9 Zn2 -","- C56 H41 I4 N9 O9 Zn2 -","- C224 H164 I16 N36 O36 Zn8 -","4","0.5","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.0791","0.0426","","","0.0825","0.0939","","","","","","1.018","","","","has coordinates,has disorder","296484","2024-12-06","17:45:30",""
"7249319","8.1008","0.0007","8.2512","0.0006","10.7542","0.0008","76.846","0.006","78.005","0.007","89.406","0.006","684.17","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F8 I4 O4 -","- C20 H16 F8 I4 O4 -","- C20 H16 F8 I4 O4 -","1","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0534","0.0377","","","0.0685","0.0776","","","","","","1.042","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249320","12.3775","0.0018","7.6176","0.001","22.623","0.003","90","","100.287","0.013","90","","2098.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F4 I2 O5 -","- C16 H20 F4 I2 O5 -","- C64 H80 F16 I8 O20 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.1262","0.0878","","","0.246","0.3317","","","","","","1.128","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249321","14.2455","0.0005","10.6548","0.0005","15.5033","0.0005","90","","94.012","0.003","90","","2347.37","0.16","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H24 F4 I2 O6 -","- C18 H24 F4 I2 O6 -","- C72 H96 F16 I8 O24 -","4","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0317","0.0268","","","0.0524","0.0544","","","","","","1.059","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249322","9.7355","0.0006","12.4217","0.0007","18.1787","0.0011","88.582","0.005","80.631","0.005","78.136","0.005","2122.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 F8 I4 O10 -","- C32 H40 F8 I4 O10 -","- C64 H80 F16 I8 O20 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.093","0.0607","","","0.1542","0.1778","","","","","","1.033","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249323","7.6327","0.0005","8.0627","0.0006","15.0373","0.0012","88.107","0.006","77.223","0.006","89.966","0.006","901.97","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 F8 I4 O10 -","- C24 H32 F8 I4 O10 -","- C24 H32 F8 I4 O10 -","1","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0601","0.0419","","","0.0885","0.0957","","","","","","1.11","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249324","7.5395","0.0006","8.6077","0.0007","12.2413","0.001","94.007","0.007","103.778","0.007","113.576","0.007","694.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F4 I2 O2 -","- C10 H8 F4 I2 O2 -","- C20 H16 F8 I4 O4 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0609","0.041","","","0.0819","0.0966","","","","","","1.056","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249325","4.6368","0.0005","29.139","0.004","7.3508","0.0006","90","","97.411","0.009","90","","984.88","0.19","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 F3 I3 O4 -","- C14 H16 F3 I3 O4 -","- C28 H32 F6 I6 O8 -","2","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.08","0.0531","","","0.0957","0.1101","","","","","","1.078","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249326","7.5332","0.0005","13.18","0.0008","14.1357","0.0008","105.855","0.005","91.408","0.005","103.061","0.005","1309.59","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 F4 I2 O9 -","- C18 H30 F4 I2 O9 -","- C36 H60 F8 I4 O18 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","1.54184","CuKα","","0.0677","0.0572","","","0.1499","0.1642","","","","","","1.026","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249327","12.0376","0.0004","15.4508","0.0008","7.5142","0.0003","90","","95.12","0.003","90","","1391.99","0.1","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F4 I2 O2 -","- C10 H8 F4 I2 O2 -","- C40 H32 F16 I8 O8 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0615","0.0439","","","0.0858","0.0949","","","","","","1.06","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249328","16.1779","0.0009","8.4631","0.0004","25.3518","0.0015","90","","105.819","0.006","90","","3339.6","0.3","295","2","295.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H19 F6 I6 O5 -","- C22 H20 F6 I6 O5 -","- C88 H80 F24 I24 O20 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0432","0.0388","","","0.0902","0.0949","","","","","","1.05","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249329","7.481","0.0005","22.1452","0.0019","14.686","0.0011","90","","103.285","0.007","90","","2367.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F4 I2 O7 -","- C16 H24 F4 I2 O7 -","- C64 H96 F16 I8 O28 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0865","0.0594","","","0.1128","0.1279","","","","","","1.024","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249330","7.854","0.0006","15.3678","0.0014","27.2763","0.0016","90","","90","","90","","3292.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 I2 O3 -","- C12 H12 F4 I2 O3 -","- C96 H96 F32 I16 O24 -","8","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0665","0.049","","","0.0987","0.1059","","","","","","1.133","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249331","8.5263","0.0006","25.6556","0.0016","8.8944","0.0005","90","","115.244","0.008","90","","1759.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F6 I6 O6 -","- C24 H24 F6 I6 O6 -","- C48 H48 F12 I12 O12 -","2","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0815","0.0629","","","0.151","0.1642","","","","","","1.0778","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249334","9.8693","0.0002","13.684","0.0004","19.1526","0.0005","73.048","0.001","84.514","0.001","70.062","0.001","2325.88","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H44 Ho2 N8 O17 -","- C39 H44 Ho2 N8 O17 -","- C78 H88 Ho4 N16 O34 -","2","1","","Abbas, Muhammad; Degani, Murtaza; Sheybani, Simin; Shah, Tejas; Joy, Monu; Balkus, Kenneth J.","Synthesis and characterization of holmium based metal–organic frameworks","CrystEngComm","2024","26","39","5567","5573","10.1039/D4CE00592A","","","0.71073","MoKα","","0.0326","0.0251","","","0.0498","0.0559","","","","","","1.222","","","","has coordinates,has disorder","296468","2024-12-06","17:36:36",""
"7249335","18.0917","0.0005","18.0917","0.0005","45.523","0.002","90","","90","","120","","12903.9","0.8","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H36 F12.98 Ho12 N12 O51.02 -","- C96 H36 F13 Ho12 N12 O51 -","- C288 H108 F39 Ho36 N36 O153 -","3","0.0833333","","Abbas, Muhammad; Degani, Murtaza; Sheybani, Simin; Shah, Tejas; Joy, Monu; Balkus, Kenneth J.","Synthesis and characterization of holmium based metal–organic frameworks","CrystEngComm","2024","26","39","5567","5573","10.1039/D4CE00592A","","","0.71073","MoKα","","0.0958","0.0615","","","0.148","0.1906","","","","","","1.196","","","","has coordinates,has disorder","296468","2024-12-06","17:36:36",""
"7249336","11.8573","0.0009","6.2066","0.0005","15.9257","0.0012","90","","99.161","0.007","90","","1157.08","0.16","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C22 H14 F10 Hg O4 Pd -","- C22 H14 F10 Hg O4 Pd -","- C44 H28 F20 Hg2 O8 Pd2 -","2","0.25","","Rozhkov, Anton V.; Tupikina, Elena Yu.; Tugashov, Kirill I.; Kukushkin, Vadim Yu.","Pure heterometallic spodium bonding","CrystEngComm","2024","26","39","5607","5616","10.1039/D4CE00825A","","x-ray","1.54184","CuKα","","0.0408","0.0405","","","0.1134","0.1137","","","","","","1.189","","","","has coordinates,has disorder","296463","2024-12-06","17:30:45",""
"7249337","11.8245","0.0003","6.2102","0.0002","15.9199","0.0004","90","","99.276","0.002","90","","1153.75","0.06","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C22 H14 F10 Hg O4 Pt -","- C22 H14 F10 Hg O4 Pt -","- C44 H28 F20 Hg2 O8 Pt2 -","2","0.25","","Rozhkov, Anton V.; Tupikina, Elena Yu.; Tugashov, Kirill I.; Kukushkin, Vadim Yu.","Pure heterometallic spodium bonding","CrystEngComm","2024","26","39","5607","5616","10.1039/D4CE00825A","","x-ray","1.54184","CuKα","","0.0358","0.0348","","","0.0964","0.0981","","","","","","1.175","","","","has coordinates,has disorder","296463","2024-12-06","17:30:45",""
"7249339","15.8992","0.0014","16.2547","0.0016","21.196","0.002","78.983","0.002","83.604","0.003","89.648","0.004","5342.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Ce O60 P7 W12 -","- C42 H100 Ce O60 P7 W12 -","- C84 H200 Ce2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.2944","0.2258","","","0.4643","0.4957","","","","","","1.524","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249340","15.9297","0.0018","16.2805","0.0019","21.296","0.002","79.204","0.002","83.313","0.003","89.273","0.004","5388.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 O60 P7 Pr W12 -","- C42 H100 O60 P7 Pr W12 -","- C84 H200 O120 P14 Pr2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1495","0.08","","","0.1768","0.1989","","","","","","1.064","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249341","15.8105","0.0016","16.1724","0.0017","21.118","0.002","79.484","0.001","83.225","0.002","89.199","0.003","5271.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 O60 P7 Sm W12 -","- C42 H100 O60 P7 Sm W12 -","- C84 H200 O120 P14 Sm2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1814","0.1095","","","0.2415","0.2724","","","","","","1.035","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249342","15.6938","0.0015","16.0627","0.0014","20.983","0.002","79.328","0.001","83.149","0.002","89.207","0.003","5160.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Nd O60 P7 W12 -","- C42 H100 Nd O60 P7 W12 -","- C84 H200 Nd2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1417","0.083","","","0.1705","0.195","","","","","","0.853","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249343","15.5991","0.0005","16.9243","0.0005","21.7605","0.0005","104.628","0.002","94.579","0.002","116.295","0.003","4860.2","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C Cl Ho O P W -","- C1.82609 Ho0.0434783 O2.6087 P0.304348 W0.521739 -","- C84 Ho2 O120 P14 W24 -","46","23","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","x-ray","0.71073","MoKα","","0.1644","0.14","","","0.361","0.3686","","","","","","1.049","","","","has coordinates","296485","2024-12-06","17:46:19",""
"7249344","15.5908","0.0014","15.9996","0.0016","20.8558","0.0016","79.353","0.003","83.486","0.002","89.311","0.004","5079.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Eu O60 P7 W12 -","- C42 H100 Eu O60 P7 W12 -","- C84 H200 Eu2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.297","0.1723","","","0.388","0.4453","","","","","","1.094","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249345","15.5807","0.0003","16.94","0.0003","21.771","0.0004","104.785","0.002","94.446","0.002","116.285","0.002","4859.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H104 N2 O60 P7 Tm W12 -","- C46 H104 N2 O60 P7 Tm W12 -","- C92 H208 N4 O120 P14 Tm2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","x-ray","0.71073","MoKα","","0.0696","0.058","","","0.1237","0.128","","","","","","1.103","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249346","15.76","0.0017","16.9001","0.0018","22.29","0.002","104.23","0.004","95.08","0.003","116.55","0.005","5011.2","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Er O60 P7 W12 -","- C42 H100 Er O60 P7 W12 -","- C84 H200 Er2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.234","0.1304","","","0.2903","0.345","","","","","","1.316","","","","has coordinates","296485","2024-12-06","17:46:19",""
"7249347","15.8884","0.0016","16.2671","0.0017","21.247","0.002","78.978","0.003","83.287","0.004","89.249","0.004","5353","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Dy O60 P7 W12 -","- C42 H100 Dy O60 P7 W12 -","- C84 H200 Dy2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.2609","0.1466","","","0.3014","0.3322","","","","","","1.091","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249348","15.7502","0.0018","16.181","0.0017","21.056","0.003","79.203","0.002","83.359","0.003","88.955","0.004","5235.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 O60 P7 Tb W12 -","- C42 H100 O60 P7 Tb W12 -","- C84 H200 O120 P14 Tb2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1799","0.1018","","","0.2291","0.2516","","","","","","1.173","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249349","15.902","0.0016","16.2959","0.0018","21.296","0.002","79.254","0.002","83.242","0.003","88.856","0.003","5384.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Gd O60 P7 W12 -","- C42 H100 Gd O60 P7 W12 -","- C84 H200 Gd2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1418","0.0795","","","0.1811","0.1994","","","","","","1.076","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249356","25.2752","0.0012","4.1184","0.0002","14.1008","0.0006","90","","90","","90","","1467.8","0.12","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","1","","Munthikkot, Shilpa; Tothadi, Srinu; Joseph, Sumy","Photoinduced irreversible transformation from elastic to bent brittle crystals: importance of the reaction pathway in the irreversibility of the molecular movement","CrystEngComm","2024","26","42","6065","6074","10.1039/D4CE00875H","","","0.71073","MoKα","","0.1224","0.0497","","","0.1262","0.1904","","","","","","1.149","","","","has coordinates","296457","2024-12-06","17:29:16",""
"7249358","73.099","0.015","73.099","0.015","73.099","0.015","90","","90","","90","","390602","14","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.72932","synchrotron","","0.0861","0.0631","","","0.1888","0.2086","","","","","","1.073","","","","has coordinates","296467","2024-12-06","17:36:14",""
"7249359","16.902","","16.902","","16.902","","90","","90","","90","","4828.52","","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-8","Zn(mim)2","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.73","synchrotron","","0.0994","0.0929","","","0.2456","0.2672","","","","","","1.093","","","","has coordinates,has disorder","296467","2024-12-06","17:36:15",""
"7249360","16.99","0.04","16.99","0.04","16.99","0.04","90","","90","","90","","4904","2","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-8","Zn(mim)2","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.7293","synchrotron","","0.0467","0.0462","","","0.1281","0.1289","","","","","","1.114","","","","has coordinates,has disorder","296467","2024-12-06","17:36:15",""
"7249361","73.09","0.18","73.09","0.14","73.09","0.18","90","","90","","90","","390458","16","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H12.5 Fe4.25 O22.67 -","- C25.5 H12.5 Fe4.25 O22.6667 -","- C4896 H2400 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.72931","synchrotron","","0.1122","0.0952","","","0.2744","0.2997","","","","","","1.094","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249362","73.27","0.18","73.27","0.15","73.27","0.19","90","","90","","90","","393349","16","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.72931","synchrotron","","0.194","0.1381","","","0.3477","0.4214","","","","","","1.018","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249363","73.2","0.6","73.2","0.6","73.2","0.6","90","","90","","90","","392223","6","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.729","synchrotron","","0.1144","0.0696","","","0.1686","0.2","","","","","","0.889","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249364","72.89","0.16","72.89","0.16","72.89","0.16","90","","90","","90","","387261","15","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.826","synchrotron","","0.0662","0.0552","","","0.1651","0.1753","","","","","","1.059","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249365","16.924","0.002","24.938","0.004","17.141","0.004","90","","119.327","0.004","90","","6307","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H33 Br2 Co3 N3 O13 -","- C41 H33 Br2 Co3 N3 O13 -","- C164 H132 Br8 Co12 N12 O52 -","4","1","","Xu, Li-Mei; Wang, Qian; Zhang, Lin; Shen, Jin-Qiu; Chen, Xiao-Lu; Zhang, Jian-Yong; Liu, Zhen-Jiang","Controllable assembly over two CoII-based coordination polymers: structures and catalytic properties towards the alkene oxyalkylation reaction","CrystEngComm","2024","26","43","6134","6142","10.1039/D4CE00857J","","x-ray","0.71073","MoKα","","0.0803","0.0491","","","0.1137","0.1249","","","","","","0.974","","","","has coordinates,has disorder","296456","2024-12-06","17:29:03",""
"7249366","15.187","0.0006","14.6764","0.0006","23.0468","0.0009","90","","90","","90","","5136.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H64 Br Co N3 O24 -","- C32 H24 Br Co N3 O4 -","- C128 H96 Br4 Co4 N12 O16 -","4","0.5","","Xu, Li-Mei; Wang, Qian; Zhang, Lin; Shen, Jin-Qiu; Chen, Xiao-Lu; Zhang, Jian-Yong; Liu, Zhen-Jiang","Controllable assembly over two CoII-based coordination polymers: structures and catalytic properties towards the alkene oxyalkylation reaction","CrystEngComm","2024","26","43","6134","6142","10.1039/D4CE00857J","","x-ray","1.54184","CuKα","","0.078","0.061","","","0.1758","0.1876","","","","","","1.115","","","","has coordinates","296456","2024-12-06","17:29:03",""
"7249367","36.492","0.003","12.6245","0.001","20.7562","0.0016","90","","101.443","0.003","90","","9372.2","1.3","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Cl Eu2 N4 O23 -","- C40 H28 Cl Eu2 N4 O23 -","- C320 H224 Cl8 Eu16 N32 O184 -","8","1","","Cui, Wen-Bo; Huang, Li; Shen, Yuan; Yu, Xiao-Yang; Li, Zi-Yi; Zhang, Hong","Viologen-based Ln-MOF material with photochromicity and photoluminescence for anticounterfeiting","CrystEngComm","2024","26","41","5877","5882","10.1039/D4CE00652F","","","0.71073","MoKα","","0.0529","0.0449","","","0.1295","0.1353","","","","","","1.073","","","","has coordinates","296449","2024-12-06","17:26:55",""
"7249368","36.461","0.003","12.5228","0.0009","20.6904","0.0014","90","","101.468","0.003","90","","9258.5","1.2","293","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl N4 O24 Tb2 -","- C40 H30 Cl N4 O24 Tb2 -","- C320 H240 Cl8 N32 O192 Tb16 -","8","1","","Cui, Wen-Bo; Huang, Li; Shen, Yuan; Yu, Xiao-Yang; Li, Zi-Yi; Zhang, Hong","Viologen-based Ln-MOF material with photochromicity and photoluminescence for anticounterfeiting","CrystEngComm","2024","26","41","5877","5882","10.1039/D4CE00652F","","","0.71073","MoKα","","0.0795","0.0584","","","0.149","0.1613","","","","","","1.048","","","","has coordinates","296449","2024-12-06","17:26:55",""
"7249372","20.1367","0.0018","11.0593","0.0011","21.1107","0.0018","90","","127.242","0.002","90","","3742.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N O6 Zn -","- C21 H14 N O6 Zn -","- C168 H112 N8 O48 Zn8 -","8","1","","Chen, Jiali; Fu, Yuying; Liu, Qiaoyun; Shen, Shoujie; Liu, Jinjian","Design and synthesis of two functional coordination polymers based on the 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2024","26","39","5518","5524","10.1039/D4CE00732H","","","0.71073","MoKα","","0.1225","0.0577","","","0.1096","0.132","","","","","","1.08","","","","has coordinates","296464","2024-12-06","17:30:57",""
"7249373","10.9146","0.0004","10.098","0.0003","15.0368","0.0004","90","","99.246","0.003","90","","1635.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O7 Zn -","- C18 H13 N O7 Zn -","- C72 H52 N4 O28 Zn4 -","4","1","","Chen, Jiali; Fu, Yuying; Liu, Qiaoyun; Shen, Shoujie; Liu, Jinjian","Design and synthesis of two functional coordination polymers based on the 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2024","26","39","5518","5524","10.1039/D4CE00732H","","x-ray","0.71073","MoKα","","0.0899","0.0481","","","0.1009","0.1195","","","","","","1.022","","","","has coordinates,has disorder","296464","2024-12-06","17:30:57",""
"7249374","7.4824","0.0003","8.4218","0.0004","11.4038","0.0006","80.323","0.002","73.083","0.002","67.581","0.002","634.23","0.05","253","","253","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Co N2 O9 -","- C9 H14 Co N2 O9 -","- C18 H28 Co2 N4 O18 -","2","1","","Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong","Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy","CrystEngComm","2024","26","41","5933","5940","10.1039/D4CE00902A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1063","0.1069","","","","","","1.09","","","","has coordinates","296452","2024-12-06","17:27:31",""
"7249375","8.5279","0.0008","9.8241","0.0009","11.5691","0.0008","110.011","0.003","94.217","0.003","107.725","0.003","850.22","0.13","190","","190","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 Co N4 O8 -","- C18 H9 Co N4 O8 -","- C36 H18 Co2 N8 O16 -","2","1","","Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong","Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy","CrystEngComm","2024","26","41","5933","5940","10.1039/D4CE00902A","","","0.71073","MoKα","","0.0554","0.0404","","","0.0884","0.0973","","","","","","1.082","","","","has coordinates","296452","2024-12-06","17:27:31",""
"7249376","12.0964","0.0005","15.9359","0.0006","7.9797","0.0002","90","","100.67","0.001","90","","1511.63","0.09","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Co N3 O8 -","- C12 H17 Co N3 O8 -","- C48 H68 Co4 N12 O32 -","4","1","","Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong","Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy","CrystEngComm","2024","26","41","5933","5940","10.1039/D4CE00902A","","","0.71073","MoKα","","0.0607","0.0452","","","0.1201","0.13","","","","","","1.044","","","","has coordinates","296452","2024-12-06","17:27:31",""
"7249377","4.9049","0.0002","7.0364","0.0002","24.1144","0.0008","90","","90","","90","","832.26","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NIPht","N-iodophtalimide","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0297","0.0271","","","0.0559","0.0572","","","","","","1.069","","","","has coordinates","296459","2024-12-06","17:29:47",""
"7249378","4.8622","0.0003","33.38","0.003","8.0329","0.0005","90","","104.989","0.003","90","","1259.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alpha-(NIPht)2(p-bipy)","Bis(N(iodophtalimide)(4,4'-bipyridine), alpha phase","","- C26 H16 I2 N4 O4 -","- C26 H16 I2 N4 O4 -","- C52 H32 I4 N8 O8 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0669","0.0447","","","0.0777","0.0838","","","","","","1.043","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249379","9.2802","0.0009","11.898","0.0011","13.5467","0.0011","90","","100.135","0.003","90","","1472.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(NIPht)(DMAP)","(N-iodophtalimide)(4-dimethylaminopyridine)","","- C15 H14 I N3 O2 -","- C15 H14 I N3 O2 -","- C60 H56 I4 N12 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0182","0.016","","","0.0381","0.0399","","","","","","1.115","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249380","9.921","0.0019","11.407","0.003","16.152","0.003","102.724","0.008","99.561","0.007","114.396","0.007","1554.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[Potassium(18-crown-6)][iodonium bis(phtamlimidate)]","","- C28 H32 I K N2 O10 -","- C28 H32 I K N2 O10 -","- C56 H64 I2 K2 N4 O20 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0855","0.0954","","","","","","1.042","","","","has coordinates,has disorder","296459","2024-12-06","17:29:48",""
"7249381","8.0405","0.0006","12.0158","0.0008","17.3956","0.0012","94.17","0.002","102.71","0.002","105.874","0.002","1561.04","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(N-iodosaccharin)(2,2'-bipyridine)","","- C24 H16 I2 N4 O6 S2 -","- C24 H16 I2 N4 O6 S2 -","- C48 H32 I4 N8 O12 S4 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0725","0.0423","","","0.0946","0.1054","","","","","","1.021","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249382","7.5392","0.0008","9.431","0.001","17.2253","0.0018","90","","97.896","0.003","90","","1213.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-(NIPht)2(p-bipy)","Bis(N(iodophtalimide)(4,4'-bipyridine), beta phase","","- C26 H16 I2 N4 O4 -","- C26 H16 I2 N4 O4 -","- C52 H32 I4 N8 O8 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0563","0.0374","","","0.0726","0.0788","","","","","","1.188","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249383","25.6531","0.0016","14.227","0.0008","4.1646","0.0003","90","","90","","90","","1519.94","0.17","296","2","296","2","","","","","","","","6","P b a 2","P 2 -2ab","32","(NIPht)2(o-Me2bipy),(CH2Cl2)","Bis(N-iodophalimide)(5,5?-dimethyl-2,2?-bipyridine), (dichloromethane)","","- C29 H22 Cl2 I2 N4 O4 -","- C29 H22 Cl2 I2 N4 O4 -","- C58 H44 Cl4 I4 N8 O8 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0618","0.04","","","0.0759","0.0818","","","","","","1.061","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249384","21.488","0.002","10.0888","0.0008","9.4428","0.0009","90","","90.324","0.003","90","","2047.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NISucc)2(o-bipy)","Bis(N-iodosuccinimide)(2,2'-bipyridine)","","- C18 H16 I2 N4 O4 -","- C18 H16 I2 N4 O4 -","- C72 H64 I8 N16 O16 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0213","0.0206","","","0.0444","0.0447","","","","","","1.197","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249385","8.4092","0.0008","16.8459","0.0018","15.5232","0.0016","90","","94.164","0.004","90","","2193.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NISucc)2(o-Me2bipy)","Bis(N-iodosuccinimide)(5,5?-dimethyl-2,2?-bipyridine)","","- C20 H20 I2 N4 O4 -","- C20 H20 I2 N4 O4 -","- C80 H80 I8 N16 O16 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0439","","","","","","0.72","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249386","8.6873","0.0009","9.2187","0.001","16.9914","0.0016","90","","105.954","0.003","90","","1308.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(NISacc)2(p-bipy)","bis(N-iodosaccharin)(4,4'-bipyridine)","","- C24 H16 I2 N4 O6 S2 -","- C24 H16 I2 N4 O6 S2 -","- C48 H32 I4 N8 O12 S4 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0474","0.0324","","","0.0732","0.0828","","","","","","0.907","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249387","17.078","0.002","9.7734","0.0014","7.2286","0.0011","90","","102.954","0.005","90","","1175.8","0.3","273.15","","273.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11 H11 N Ni O6 -","- C11 H11 N Ni O6 -","- C44 H44 N4 Ni4 O24 -","4","0.5","","Wu, Si-Tong; Ruan, Zhijun; Tian, Zhengfang; Shi, Le; Yang, Jiong; Shao, Dong","Construction, structures, and magnetic studies of two cobalt(ii) and nickel(ii) coordination polymers displaying bex topology","CrystEngComm","2024","26","41","5850","5858","10.1039/D4CE00935E","","","0.71073","MoKα","","0.0565","0.0555","","","0.1397","0.1404","","","","","","1.066","","","","has coordinates,has disorder","296450","2024-12-06","17:27:05",""
"7249388","7.2564","0.0008","9.876","0.0015","16.8793","0.0019","90","","100.663","0.005","90","","1188.8","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Co N O6 -","- C11 H11 Co N O6 -","- C44 H44 Co4 N4 O24 -","4","1","","Wu, Si-Tong; Ruan, Zhijun; Tian, Zhengfang; Shi, Le; Yang, Jiong; Shao, Dong","Construction, structures, and magnetic studies of two cobalt(ii) and nickel(ii) coordination polymers displaying bex topology","CrystEngComm","2024","26","41","5850","5858","10.1039/D4CE00935E","","","0.71073","MoKα","","0.0345","0.0282","","","0.0684","0.0718","","","","","","1.04","","","","has coordinates","296450","2024-12-06","17:27:05",""
"7249401","24.4222","0.0005","22.5632","0.0006","13.7569","0.0002","90","","90","","90","","7580.6","0.3","297","","297","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C62 H36 Cl4 Dy2 F18 N6 O12 S6 -","- C62 H36 Cl4 Dy2 F18 N6 O12 S6 -","- C248 H144 Cl16 Dy8 F72 N24 O48 S24 -","4","0.5","","Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin","Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior","CrystEngComm","2024","26","43","6184","6193","10.1039/D4CE00748D","","x-ray","0.71073","MoKα","","0.0733","0.0384","","","0.074","0.0893","","","","","","1.078","","","","has coordinates,has disorder","296454","2024-12-06","17:28:25",""
"7249402","12.3888","0.0011","13.792","0.001","18.7166","0.0014","88.227","0.006","86.765","0.006","74.619","0.007","3078.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H18 Dy2 F36 N8 O14 -","- C40 H18 Dy2 F36 N8 O14 -","- C80 H36 Dy4 F72 N16 O28 -","2","1","","Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin","Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior","CrystEngComm","2024","26","43","6184","6193","10.1039/D4CE00748D","","","1.54184","CuKα","","0.1514","0.0727","","","0.1243","0.168","","","","","","0.985","","","","has coordinates,has disorder","296454","2024-12-06","17:28:28",""
"7249403","32.874","0.003","10.4191","0.0012","19.9901","0.0016","90","","97.144","0.009","90","","6793.8","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H15 Dy F9 N4 O6 S3 -","- C29 H15 Dy F9 N4 O6 S3 -","- C232 H120 Dy8 F72 N32 O48 S24 -","8","1","","Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin","Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior","CrystEngComm","2024","26","43","6184","6193","10.1039/D4CE00748D","","x-ray","1.54184","CuKα","","0.232","0.0964","","","0.2005","0.2719","","","","","","0.987","","","","has coordinates,has disorder","296454","2024-12-06","17:28:32",""
"7249410","7.3836","0.0003","8.3568","0.0003","15.1792","0.0005","90","","98.58","0.001","90","","926.12","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N4 O6 -","- C6 H8 N4 O6 -","- C24 H32 N16 O24 -","4","1","","Churakov, Andrei V.","Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species","CrystEngComm","2024","26","42","5996","6002","10.1039/D4CE00822G","","","0.71073","MoKα","","0.037","0.0315","","","0.0768","0.0799","","","","","","1.029","","","","has coordinates","296461","2024-12-06","17:30:15",""
"7249411","12.642","0.0004","8.4671","0.0003","18.6298","0.0006","90","","101.447","0.001","90","","1954.49","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 N4 O7 -","- C6 H9 N4 O7 -","- C48 H72 N32 O56 -","8","1","","Churakov, Andrei V.","Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species","CrystEngComm","2024","26","42","5996","6002","10.1039/D4CE00822G","","","0.71073","MoKα","","0.0385","0.0315","","","0.0803","0.0844","","","","","","1.048","","","","has coordinates","296461","2024-12-06","17:30:15",""
"7249412","8.8432","0.0003","12.7456","0.0005","13.2427","0.0005","105.681","0.0013","108.501","0.0013","103.703","0.0014","1274.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H26 N8 O22 -","- C12 H26 N8 O22 -","- C24 H52 N16 O44 -","2","1","","Churakov, Andrei V.","Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species","CrystEngComm","2024","26","42","5996","6002","10.1039/D4CE00822G","","","0.71073","MoKα","","0.0584","0.0426","","","0.1026","0.1107","","","","","","1.027","","","","has coordinates,has disorder","296461","2024-12-06","17:30:15",""
"7249413","11.7657","0.0003","15.6126","0.0003","19.2536","0.0004","67.274","0.002","76.636","0.002","87.587","0.002","3169.44","0.13","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","zxy48","","- C25 H40 Co3.5 Ge K2 N5 O54 W9 -","- C25 H40 Co3.5 Ge K2 N5 O53.998 W9 -","- C50 H80 Co7 Ge2 K4 N10 O107.996 W18 -","2","1","","Chen, Zhe-Hong; Zhang, Xiao-Yue; Li, Da-Huan; Li, Xin-Xiong; Sun, Yan-Qiong; Sun, Cai; Zheng, Shou-Tian","Organic–inorganic hybrid Co-containing polyoxotungstate as an oxygen evolution catalyst","CrystEngComm","2024","26","41","5840","5844","10.1039/D4CE00873A","","","0.71073","MoKα","","0.0744","0.0526","","","0.1436","0.1605","","","","","","1.064","","","","has coordinates,has disorder","296448","2024-12-06","17:26:38",""
"7249414","11.7109","0.0003","15.5844","0.0006","19.2261","0.0008","67.382","0.004","76.551","0.003","87.841","0.002","3145","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H42.5 Ge K2 N5 O53.5 W9 Zn3.5 -","- C25 H40 Ge K2 N5 O53.5 W9.02 Zn3.5 -","- C50 H80 Ge2 K4 N10 O107 W18.04 Zn7 -","2","1","","Chen, Zhe-Hong; Zhang, Xiao-Yue; Li, Da-Huan; Li, Xin-Xiong; Sun, Yan-Qiong; Sun, Cai; Zheng, Shou-Tian","Organic–inorganic hybrid Co-containing polyoxotungstate as an oxygen evolution catalyst","CrystEngComm","2024","26","41","5840","5844","10.1039/D4CE00873A","","","0.71073","MoKα","","0.0875","0.062","","","0.1792","0.2039","","","","","","1.07","","","","has coordinates,has disorder","296448","2024-12-06","17:26:38",""
"7249420","15.845","0.003","4.6481","0.0009","26.022","0.005","90","","104.992","0.005","90","","1851.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N6 O2 -","- C42 H38 N6 O2 -","- C84 H76 N12 O4 -","2","0.5","","Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles","CrystEngComm","2024","26","42","6025","6033","10.1039/D4CE00839A","","x-ray","0.71073","MoKα","","0.144","0.1165","","","0.2137","0.2254","","","","","","1.222","","","","has coordinates","296460","2024-12-06","17:30:02",""
"7249421","15.7922","0.0012","4.7118","0.0004","26.096","0.002","90","","104.8","0.002","90","","1877.4","0.3","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43.81 H42.51 N6 O2.9 -","- C43.8 H42.5 N6 O2.9 -","- C87.6 H85 N12 O5.8 -","2","0.5","","Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles","CrystEngComm","2024","26","42","6025","6033","10.1039/D4CE00839A","","x-ray","0.71073","MoKα","","0.1235","0.0834","","","0.204","0.231","","","","","","1.054","","","","has coordinates,has disorder","296460","2024-12-06","17:30:02",""
"7249422","15.878","0.002","4.6413","0.0006","26.735","0.003","90","","99.584","0.003","90","","1942.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.43 H40.29 Br2 N6 O2.72 S0.71 -","- C43.432 H40.296 Br2 N6 O2.716 S0.716 -","- C86.864 H80.592 Br4 N12 O5.432 S1.432 -","2","0.5","","Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles","CrystEngComm","2024","26","42","6025","6033","10.1039/D4CE00839A","","x-ray","0.71073","MoKα","","0.0823","0.0667","","","0.112","0.1168","","","","","","1.222","","","","has coordinates,has disorder","296460","2024-12-06","17:30:02",""
"7249423","12.5361","0.0006","15.4564","0.0007","23.5236","0.0012","90","","92.009","0.001","90","","4555.2","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Co2 Mo12 N16 O52 Si -","- C52 H72 Co2 Mo12 N16 O48 Si -","- C104 H144 Co4 Mo24 N32 O96 Si2 -","2","0.5","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0697","0.0407","","","0.0788","0.0937","","","","","","1.046","","","","has coordinates","296453","2024-12-06","17:28:05",""
"7249424","12.7451","0.0007","12.7628","0.0008","13.4678","0.0007","95.939","0.002","109.007","0.002","112.422","0.002","1848.57","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cu2 Mo4 N8 O16 -","- C26 H34 Cu2 Mo4 N8 O16 -","- C52 H68 Cu4 Mo8 N16 O32 -","2","1","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0889","0.0452","","","0.0921","0.1139","","","","","","1.035","","","","has coordinates","296453","2024-12-06","17:28:05",""
"7249425","12.5392","0.0003","13.1412","0.0003","21.0778","0.0005","89.219","0.001","83.579","0.001","62.077","0.001","3046.62","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H95 Cu2 Mo24 N16 O97.5 Si2 -","- C52 H88 Cu2 Mo24 N16 O94 Si2 -","- C52 H88 Cu2 Mo24 N16 O94 Si2 -","1","0.5","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0876","0.068","","","0.1329","0.145","","","","","","1.139","","","","has coordinates,has disorder","296453","2024-12-06","17:28:05",""
"7249426","12.5205","0.0004","15.3929","0.0006","23.5897","0.0008","90","","91.987","0.001","90","","4543.6","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H77 Mo12 N16 Ni2 O50.5 Si -","- C52 H72 Mo12 N16 Ni2 O48 Si -","- C104 H144 Mo24 N32 Ni4 O96 Si2 -","2","0.5","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0383","0.032","","","0.0704","0.0761","","","","","","1.106","","","","has coordinates","296453","2024-12-06","17:28:05",""
"7249427","11.1116","0.0007","14.8127","0.0009","15.3395","0.0009","90","","101.802","0.001","90","","2471.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cd N4 O7.5 S -","- C21 H20 Cd N4 O7.5 S -","- C84 H80 Cd4 N16 O30 S4 -","4","1","","Li, Senlin; Gu, Yanan; Zhao, Bo; Cai, Haocheng; Zhao, Zhuo; Sun, Qiaozhen; Zhang, Bingguang","Effects of the recognition sites of MOFs on turn-off fluorescence detection of Fe3+","CrystEngComm","2024","26","43","6126","6133","10.1039/D4CE00899E","","","0.71073","MoKα","","0.0448","0.0374","","","0.1064","0.1109","","","","","","1.029","","","","has coordinates,has disorder","296455","2024-12-06","17:28:45",""
"7249428","10.327","0.001","13.8387","0.0013","18.3399","0.0018","102.548","0.001","101.141","0.001","102.354","0.001","2418.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cd2 N6 O10 S2 -","- C42 H34 Cd2 N6 O10 S2 -","- C84 H68 Cd4 N12 O20 S4 -","2","1","","Li, Senlin; Gu, Yanan; Zhao, Bo; Cai, Haocheng; Zhao, Zhuo; Sun, Qiaozhen; Zhang, Bingguang","Effects of the recognition sites of MOFs on turn-off fluorescence detection of Fe3+","CrystEngComm","2024","26","43","6126","6133","10.1039/D4CE00899E","","","0.71073","MoKα","","0.0601","0.036","","","0.08","0.0848","","","","","","1.036","","","","has coordinates","296455","2024-12-06","17:28:45",""
"7249449","13.9944","0.0008","12.1989","0.0007","13.1277","0.0008","90","","90","","90","","2241.1","0.2","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","(NpO2)3(PO4)2(Terpy)","","","- C15 H11 N3 Np3 O14 P2 -","- C15 H11 N3 Np3 O14 P2 -","- C60 H44 N12 Np12 O56 P8 -","4","1","","Zhang, Lei; Wang, Yu; Xu, Mengyu; Kokot, Alex M.; Qiu, Jie; Burns, Peter C.","Hydrothermal synthesis and structure of organically templated layered neptunyl(vi) phosphate (NpO2)3(PO4)2(Terpy)","CrystEngComm","2024","26","42","5991","5995","10.1039/D4CE00121D","","","0.71073","MoKα","","0.018","0.0176","","","0.0452","0.0455","","","","","","1.069","","","","has coordinates","296458","2024-12-06","17:29:25",""
"7249450","10.5018","0.00006","10.5018","0.00006","10.5018","0.00006","90","","90","","90","","1158.22","0.011","90","2","90","0.1","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- S4 Sn3 -","- S4 Sn3 -","- S32 Sn24 -","8","0.0416667","","Gajda, Roman; Podsiadło, Sławomir; Jastrzębski, Cezariusz; Dłużewski, Piotr; Woźniak, Krzysztof","Sn3S4: a new mixed-valence tin sulfide","CrystEngComm","2024","26","46","6553","6561","10.1039/D4CE00629A","","","0.56085","AgKα","","0.0265","0.0265","","","0.0802","0.0802","","","","","","1.233","","","","has coordinates","296472","2024-12-06","17:40:02",""
"7249460","16.07317","0.0001","6.24689","0.00004","35.5828","0.0002","90","","101.201","0.0006","90","","3504.71","0.04","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Sakshi,; Gupta, Yogita; Robertson, Craig M.; Munshi, Parthapratim; Roy Choudhury, Angshuman","Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses","CrystEngComm","2025","27","4","478","487","10.1039/D4CE00829D","","x-ray","0.71073","MoKα","","0.0368","0.0326","","","0.105","0.1092","","","","","","1.081","","","","has coordinates","298190","2025-03-04","19:45:46",""
"7249468","6.662","0.002","21.965","0.001","16.468","0.001","90","","91.69","0.01","90","","2408.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F N3 O7 -","- C26 H26 F N3 O7 -","- C104 H104 F4 N12 O28 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.0881","0.0537","","","0.1154","0.133","","","","","","1.062","","","","has coordinates","296447","2024-12-06","17:26:18",""
"7249469","9.104","0.003","10.937","0.004","12.774","0.005","86.214","0.011","71.917","0.01","82.894","0.012","1199.3","0.8","301","","301","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 F N4 O8 S -","- C22 H29 F N4 O8 S -","- C44 H58 F2 N8 O16 S2 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.1757","0.0902","","","0.2316","0.2646","","","","","","1.061","","","","has coordinates,has disorder","296447","2024-12-06","17:26:18",""
"7249470","6.0189","0.0005","31.707","0.002","12.5009","0.0007","90","","96.981","0.002","90","","2368","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F N3 O7 -","- C26 H26 F N3 O7 -","- C104 H104 F4 N12 O28 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.1012","0.0479","","","0.1109","0.1476","","","","","","1.097","","","","has coordinates","296447","2024-12-06","17:26:18",""
"7249471","8.554","0.003","10.936","0.005","12.526","0.005","85.91","0.02","76.418","0.019","87.737","0.017","1135.8","0.8","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 F N4 O7 S -","- C22 H28 F N4 O7 S -","- C44 H56 F2 N8 O14 S2 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.0623","0.0456","","","0.1015","0.1098","","","","","","1.051","","","","has coordinates","296447","2024-12-06","17:26:18",""
"7249472","11.6451","0.0003","9.4203","0.0003","17.2278","0.0004","90","","107.197","0.001","90","","1805.41","0.09","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Atenolol fumarate hydrate","","- C16 H26 N2 O6 -","- C16 H26 N2 O6 -","- C64 H104 N8 O24 -","4","1","","Shajan, Daliya K.; Pandey, Noopur; Ghosh, Animesh; Srivastava, Anubha; Sanphui, Palash","Pharmaceutical salts to improve diffusion permeability of a BCS class III β-blocker drug atenolol","CrystEngComm","2024","26","45","6420","6431","10.1039/D4CE01003E","","","0.71073","MoKα","","0.0629","0.0577","","","0.1535","0.1579","","","","","","1.0452","","","","has coordinates","296491","2024-12-06","17:48:03",""
"7249473","7.6162","0.0007","12.3399","0.0017","12.7919","0.0013","66.228","0.012","89.807","0.008","74.215","0.01","1051","0.2","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C46 H44 N8 O4 S2 -","2","1","","Li, Tong; Zhang, Jin; Li, Maolin; Qu, Haibin; Wu, Songgu; Gong, Junbo","Mechanism of solvent-mediated polymorphic transformation to prepare axitinib form XLI controlled by water activity","CrystEngComm","2024","26","46","6562","6572","10.1039/D4CE00863D","","x-ray","0.71073","MoKα","","0.1879","0.1375","","","0.3422","0.3747","","","","","","1.109","","","","has coordinates","296476","2024-12-06","17:41:22",""
"7249474","9.8122","0.0012","10.5321","0.0013","14.9799","0.0017","87.605","0.004","87.231","0.004","86.746","0.004","1542.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 N6 O14 Zn3 -","- C58 H84 N6 O14 Zn3 -","- C58 H84 N6 O14 Zn3 -","1","0.5","","Gak Simić, Kristina; Đorđević, Ivana; Mašulović, Aleksandra; Radovanović, Lidija; Jeannin, Olivier; Camerel, Franck; Trišović, Nemanja","Self-assembly properties of zinc(ii) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect","CrystEngComm","2024","26","45","6448","6464","10.1039/D4CE00983E","","x-ray","0.71073","MoKα","","0.0505","0.0341","","","0.0756","0.0828","","","","","","1.011","","","","has coordinates","296487","2024-12-06","17:47:06",""
"7249475","15.459","0.002","10.6509","0.0013","30.001","0.004","90","","103.017","0.006","90","","4812.8","1.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 N10 O8 Zn -","- C44 H64 N10 O8 Zn -","- C176 H256 N40 O32 Zn4 -","4","0.5","","Gak Simić, Kristina; Đorđević, Ivana; Mašulović, Aleksandra; Radovanović, Lidija; Jeannin, Olivier; Camerel, Franck; Trišović, Nemanja","Self-assembly properties of zinc(ii) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect","CrystEngComm","2024","26","45","6448","6464","10.1039/D4CE00983E","","x-ray","0.71073","MoKα","","0.0751","0.062","","","0.1695","0.1788","","","","","","1.088","","","","has coordinates","296487","2024-12-06","17:47:07",""
"7249483","11.43","0.002","10.72","0.002","27.57","0.006","90","","97.95","0.03","90","","3345.7","1.1","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","CuPMTT","","- C21 H21.5 Cu2 N10.5 S8.98 -","- C12 H8 Cu2 N6 S8.995 -","- C48 H32 Cu8 N24 S35.98 -","4","2","","Jie, Hao-Chen; Lan, Zhi-Qing; Li, Ke-Feng; Ye, Xiao-Liang; Duan, Shui-Lin; Fu, Zhi-Hua; Wang, Guan-E; Xu, Gang","Surface functionalized chalcogenides for highly selective removal of Hg2+","CrystEngComm","2024","26","44","6255","6259","10.1039/D4CE00923A","","","0.71073","MoKα","","0.1815","0.1424","","","0.3384","0.3648","","","","","","0.999","","","","has coordinates,has disorder","296445","2024-12-06","17:25:08",""
"7249488","12.5135","0.0005","15.5149","0.0005","11.9063","0.0005","90","","113.94","0.002","90","","2112.7","0.14","193","","193","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H14 Cl Cu N4 O4 -","- C19 H14 Cl Cu N4 O4 -","- C76 H56 Cl4 Cu4 N16 O16 -","4","1","","Wang, Fang-Fang; Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Kai-Yang; Zhao, Yue; Sun, Wei-Yin","Copper(i) and cobalt(ii) frameworks with a tetraphenylethene–imidazole ligand for the electroreduction of CO2 to CH4","CrystEngComm","2024","26","45","6465","6471","10.1039/D4CE00991F","","x-ray","1.34139","GaKα","","0.06","0.0499","","","0.1275","0.1339","","","","","","1.078","","","","has coordinates,has disorder","296488","2024-12-06","17:47:20",""
"7249489","15.0501","0.0015","13.4447","0.0013","24.018","0.003","90","","93.932","0.005","90","","4848.5","0.9","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Co F6 N10 O6 -","- C48 H42 Co F6 N10 O6 -","- C192 H168 Co4 F24 N40 O24 -","4","1","","Wang, Fang-Fang; Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Kai-Yang; Zhao, Yue; Sun, Wei-Yin","Copper(i) and cobalt(ii) frameworks with a tetraphenylethene–imidazole ligand for the electroreduction of CO2 to CH4","CrystEngComm","2024","26","45","6465","6471","10.1039/D4CE00991F","","","1.34139","GaKα","","0.0788","0.0666","","","0.1935","0.2031","","","","","","1.027","","","","has coordinates,has disorder","296488","2024-12-06","17:47:20",""
"7249491","28.989","0.009","9.949","0.003","7.723","0.003","90","","90","","90","","2227.4","1.3","296.15","","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 Cl7 In N4 O -","- C10 H30 Cl7 In N4 O -","- C40 H120 Cl28 In4 N16 O4 -","4","0.5","","Wang, Qi; Jiang, Wei; Xuan, Peng-Yao; Zhao, Ke; Fu, Xiu-Yue; Zhang, Xiao-Rui; Lei, Xiao-Wu; Yue, Cheng-Yang; Kong, Xiang-Wen","Zero-dimensional organic–inorganic hybrid indium halide perovskite with broadband yellow light emission","CrystEngComm","2024","26","45","6486","6492","10.1039/D4CE00895B","","","0.71073","MoKα","","0.0378","0.0277","","","0.0586","0.062","","","","","","1.016","","","","has coordinates,has disorder","296486","2024-12-06","17:46:51",""
"7249492","31.5957","0.0019","16.8364","0.0009","28.2441","0.0016","90","","90","","90","","15024.7","1.5","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","Hacac@UoC-9(Ca)","","","- C93 H55 Ca5 F9 O27 -","- C93 H55 Ca5 F9 O27 -","- C372 H220 Ca20 F36 O108 -","4","0.5","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","1.54178","CuKα","","0.0666","0.0608","","","0.1586","0.1658","","","","","","1.045","","","","has coordinates,has disorder","296446","2024-12-06","17:26:00",""
"7249493","31.7465","0.0013","16.6974","0.0007","28.4978","0.0011","90","","90","","90","","15106.2","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Toluene@UoC-9","","","- C103.62 H76.75 Ca5 F9 N3.97 O24.97 -","- C103.617 H76.748 Ca5 F9 N3.972 O24.972 -","- C414.468 H306.992 Ca20 F36 N15.888 O99.888 -","4","1","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.084","0.0726","","","0.1977","0.2096","","","","","","1.018","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249494","31.6409","0.0019","16.5291","0.0009","28.7463","0.0015","90","","90","","90","","15034.2","1.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C95 H63 Ca5 F9 O25 -","- C95 H63 Ca5 F9 O25 -","- C380 H252 Ca20 F36 O100 -","4","1","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0923","0.0739","","","0.1978","0.2144","","","","","","1.035","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249495","32.033","0.006","49.659","0.01","28.956","0.006","90","","90","","90","","46061","16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","NMP@UoC-9","","","- C111.835 H90.23666 Ca5 F9 N5.76666 O25.76666 -","- C111.835 H90.2363 Ca5 F9 N5.767 O25.767 -","- C1342.02 H1082.84 Ca60 F108 N69.204 O309.204 -","12","3","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.5","synchrotron","","0.1699","0.097","","","0.257","0.3181","","","","","","0.951","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249496","31.6786","0.0008","16.5991","0.0005","28.8107","0.0008","90","","90","","90","","15149.7","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Propylenecarbonate@UoC-9","","","- C103 H69 Ca5 F9 O36 -","- C103 H69 Ca5 F9 O36 -","- C412 H276 Ca20 F36 O144 -","4","1","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0721","0.0623","","","0.1802","0.1913","","","","","","1.039","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249497","31.8875","0.0014","16.6009","0.0007","28.7479","0.0011","90","","90","","90","","15218","1.1","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C117.76 H83.26 Ca5 F9 N7.25 O25 -","- C117.764 H83.26 Ca5 F9 N7.252 O25 -","- C471.056 H333.04 Ca20 F36 N29.008 O100 -","4","0.5","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0491","0.0478","","","0.1379","0.1408","","","","","","1.068","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249498","15.451","0.003","5.2329","0.0007","12.2017","0.0016","90","","111.585","0.005","90","","917.4","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 O8 Zn -","- C8 H8 O8 Zn -","- C32 H32 O32 Zn4 -","4","0.5","","Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A.","Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent","CrystEngComm","2024","26","43","6161","6171","10.1039/D4CE00905C","","","0.71073","MoKα","","0.1032","0.0644","","","0.1006","0.1155","","","","","","0.855","","","","has coordinates","296444","2024-12-06","17:24:46",""
"7249499","22.9353","0.0004","22.9353","0.0004","15.9392","0.0003","90","","90","","120","","7261.2","0.2","295","0.1","295","0.1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C8 H5 O7.5 Zn2 -","- C8 H2 O6 Zn2 -","- C144 H36 O108 Zn36 -","18","1","","Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A.","Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent","CrystEngComm","2024","26","43","6161","6171","10.1039/D4CE00905C","","x-ray","0.71073","MoKα","","0.0763","0.0724","","","0.1925","0.1974","","","","","","1.089","","","","has coordinates,has disorder","296444","2024-12-06","17:24:47",""
"7249500","9.3834","0.0007","13.8555","0.0011","29.438","0.002","96.035","0.002","92.269","0.002","103.563","0.002","3691.8","0.5","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H79.85 Cd2 N4 O14.3 -","- C80 H79.85 Cd2 N4 O14.3 -","- C160 H159.7 Cd4 N8 O28.6 -","2","1","","Shit, Manik; Das, Pubali; Samanta, Arnab; Dutta, Basudeb; Das, Mainak; Roy, Sourav; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Regulating electrical conductivity and Schottky nature of d10 metal ion-based nanoarchitectonics in coordination polymers","CrystEngComm","2024","26","46","6618","6626","10.1039/D4CE00901K","","","0.71073","MoKα","","0.096","0.0778","","","0.1827","0.2014","","","","","","1.111","","","","has coordinates,has disorder","296473","2024-12-06","17:40:18",""
"7249501","9.489","0.003","14.585","0.004","15.052","0.004","72.307","0.013","72.215","0.01","76.897","0.009","1869.1","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 N3 O10 Zn2 -","- C40 H39 N3 O10 Zn2 -","- C80 H78 N6 O20 Zn4 -","2","1","","Shit, Manik; Das, Pubali; Samanta, Arnab; Dutta, Basudeb; Das, Mainak; Roy, Sourav; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Regulating electrical conductivity and Schottky nature of d10 metal ion-based nanoarchitectonics in coordination polymers","CrystEngComm","2024","26","46","6618","6626","10.1039/D4CE00901K","","","0.71073","MoKα","","0.0286","0.0241","","","0.0609","0.064","","","","","","1.042","","","","has coordinates","296473","2024-12-06","17:40:19",""
"7249502","14.0131","0.0002","17.7473","0.0003","20.2507","0.0003","64.714","0.001","83.76","0.001","76.182","0.001","4421.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 I8 N8 Zn2 -","- C28 H36 I8 N8 Zn2 -","- C112 H144 I32 N32 Zn8 -","4","2","","Sharma, Preeti; Ahmad, Musheer; Haq, Nazrul; Siddiqui, Kafeel Ahmad","I3− entrapped cationic Zn(ii) coordination polymer: selective detection and dose-dependent photocatalytic degradation of roxithromycin","CrystEngComm","2024","26","45","6472","6485","10.1039/D4CE01006J","","x-ray","0.71073","MoKα","","0.12","0.0616","","","0.187","0.2349","","","","","","1.0275","","","","has coordinates","296489","2024-12-06","17:47:30",""
"7249503","12.7443","0.0004","12.7443","0.0004","7.1295","0.0004","90","","90","","90","","1157.95","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","I 4","I 4","79","","","","- Cl Cs O24 Se8 V4 -","- Cl Cs O24 Se8 V4 -","- Cl2 Cs2 O48 Se16 V8 -","2","0.25","","Xiang, Wenya; Wang, Guozhao; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","A new salt-inclusion compound CsCl·(VOSe2O5)4 showing nearly isolated spin-1/2 chain structure with a typical square lattice","CrystEngComm","2024","26","45","6392","6395","10.1039/D4CE00936C","","x-ray","0.71073","MoKα","","0.0481","0.0383","","","0.0796","0.0832","","","","","","0.952","","","","has coordinates","296492","2024-12-06","17:48:13",""
"7249504","6.2461","0.0002","18.7509","0.0005","19.0329","0.0004","90","","90","","90","","2229.13","0.1","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl Eu O12 -","- C18 H22 Cl Eu O12 -","- C72 H88 Cl4 Eu4 O48 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","x-ray","1.54184","CuKα","","0.0729","0.0693","","","0.1876","0.1933","","","","","","1.037","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249505","18.7651","0.0008","18.9706","0.001","6.2102","0.0003","90","","90","","90","","2210.74","0.18","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl O12 Tb -","- C18 H22 Cl O12 Tb -","- C72 H88 Cl4 O48 Tb4 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0496","0.0467","","","0.1178","0.1242","","","","","","1.065","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249506","18.7948","0.0007","18.9335","0.0007","6.2122","0.0003","90","","90","","90","","2210.62","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl O12 Tb -","- C18 H22 Cl O12 Tb -","- C72 H88 Cl4 O48 Tb4 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0467","0.0429","","","0.1119","0.1149","","","","","","1.034","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249507","13.7229","0.0008","28.1271","0.0019","17.387","0.001","90","","99.673","0.005","90","","6615.7","0.7","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H64 Cl Eu2 N4 O20.5 -","- C69 H64 Cl Eu2 N4 O20.5 -","- C276 H256 Cl4 Eu8 N16 O82 -","4","2","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0656","0.0528","","","0.1188","0.1278","","","","","","1.073","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249508","13.6925","0.0002","28.1386","0.0004","17.4098","0.0002","90","","99.5968","0.0013","90","","6613.91","0.16","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C138 H128 Cl2 Eu4 N8 O41 -","- C138 H128 Cl2 Eu4 N8 O41 -","- C276 H256 Cl4 Eu8 N16 O82 -","2","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","x-ray","1.54184","CuKα","","0.0897","0.0727","","","0.1823","0.2058","","","","","","1.028","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249509","13.6917","0.0007","28.115","0.0014","17.3468","0.0009","90","","99.903","0.004","90","","6578","0.6","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H64 Cl N4 O20.5 Tb2 -","- C69 H64 Cl N4 O20.5 Tb2 -","- C276 H256 Cl4 N16 O82 Tb8 -","4","2","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.1053","0.088","","","0.2205","0.2318","","","","","","1.125","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249510","13.7334","0.0005","28.0916","0.0007","17.3794","0.0006","90","","99.823","0.003","90","","6606.6","0.4","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H64 Cl N4 O20.5 Tb2 -","- C69 H64 Cl N4 O20.5 Tb2 -","- C276 H256 Cl4 N16 O82 Tb8 -","4","2","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.1152","0.0815","","","0.1966","0.2268","","","","","","1.014","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249511","18.7671","0.0004","19.0219","0.0003","6.2535","0.0001","90","","90","","90","","2232.41","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl Eu O12 -","- C18 H22 Cl Eu O12 -","- C72 H88 Cl4 Eu4 O48 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0284","0.0252","","","0.0575","0.0592","","","","","","1.047","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249512","8.0608","0.0009","13.3977","0.0014","11.7569","0.0014","90","","91.241","0.006","90","","1269.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Mn N2 O6 -","- C26 H28 Mn N2 O6 -","- C52 H56 Mn2 N4 O12 -","2","0.5","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.71073","MoKα","","0.1057","0.0479","","","0.0963","0.1153","","","","","","0.976","","","","has coordinates,has disorder","296490","2024-12-06","17:47:41",""
"7249513","10.1118","0.0012","10.1118","0.0012","18.832","0.003","90","","90","","120","","1667.6","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Mn N2 O6 -","- C24 H24 Mn N2 O6 -","- C72 H72 Mn3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.7288","synchrotron","","0.0403","0.0374","","","0.0982","0.1001","","","","","","1.073","","","","has coordinates","296490","2024-12-06","17:47:41",""
"7249514","10.4589","0.0017","12.0484","0.0019","12.74","0.002","93.854","0.008","113.574","0.008","91.387","0.008","1465.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N4 Nd O10 -","- C27 H31 N4 Nd O10 -","- C54 H62 N8 Nd2 O20 -","2","1","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.71073","MoKα","","0.0213","0.019","","","0.0448","0.0457","","","","","","1.046","","","","has coordinates,has disorder","296490","2024-12-06","17:47:41",""
"7249515","12.033","0.006","14.668","0.007","27.099","0.012","81.48","0.02","88.19","0.02","69.49","0.02","4429","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H102 N10 Nd2 O23 -","- C84 H102 N10 Nd2 O23 -","- C168 H204 N20 Nd4 O46 -","2","1","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.7288","synchrotron","","0.1301","0.0903","","","0.2262","0.2547","","","","","","0.977","","","","has coordinates,has disorder","296490","2024-12-06","17:47:41",""
"7249519","37.8579","0.0008","9.9633","0.0001","28.307","0.0006","90","","109.014","0.002","90","","10094.6","0.3","220","80","220","80","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cd N7 O11 S -","- C32 H22 Cd N5 O9 S -","- C256 H176 Cd8 N40 O72 S8 -","8","1","","Rani, Nitu; Bhasin, Aman K. K.; Husain, Ahmad; Kumari, Annu; Verma, Reshu; Bhasin, K. K.; Kumar, Girijesh","Sulfur-hinged L-shaped ligand-based Cd(ii)–organic framework: a fluorescent tool for targeting environmental nitroaromatics","CrystEngComm","2024","26","47","6719","6728","10.1039/D4CE01050G","","x-ray","0.71073","MoKα","","0.0546","0.0412","","","0.1228","0.1367","","","","","","1.071","","","","has coordinates","296477","2024-12-06","17:41:38",""
"7249520","9.3689","0.0003","12.8121","0.0003","18.4744","0.0003","98.161","0.002","90.769","0.002","111.088","0.002","2043.11","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O2 S -","- C24 H18 N4 O2 S -","- C96 H72 N16 O8 S4 -","4","2","","Rani, Nitu; Bhasin, Aman K. K.; Husain, Ahmad; Kumari, Annu; Verma, Reshu; Bhasin, K. K.; Kumar, Girijesh","Sulfur-hinged L-shaped ligand-based Cd(ii)–organic framework: a fluorescent tool for targeting environmental nitroaromatics","CrystEngComm","2024","26","47","6719","6728","10.1039/D4CE01050G","","x-ray","0.71073","MoKα","","0.0825","0.0519","","","0.1276","0.1423","","","","","","1.118","","","","has coordinates","296477","2024-12-06","17:41:38",""
"7249521","9.8129","0.0002","13.7036","0.0003","22.6169","0.0004","97.7991","0.001","100.633","0.001","105.398","0.0009","2826.55","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 Cl N17 O5 S3 Zn3 -","- C51 H46 Cl N17 O5 S3 Zn3 -","- C102 H92 Cl2 N34 O10 S6 Zn6 -","2","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","1.54178","CuKα","","0.0524","0.0484","","","0.1447","0.1478","","","","","","1.0418","","","","has coordinates","296471","2024-12-06","17:39:38",""
"7249522","11.0646","0.0014","11.8428","0.0015","12.9025","0.0015","110.603","0.011","97.125","0.01","101.299","0.011","1517.2","0.4","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H57 Cl4 N15 O7 S2 Zn4 -","- C51 H57 Cl4 N15 O7 S2 Zn4 -","- C51 H57 Cl4 N15 O7 S2 Zn4 -","1","0.5","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","x-ray","0.71073","MoKα","","0.1652","0.0821","","","0.1504","0.1909","","","","","","1.014","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249523","12.5273","0.0011","13.4647","0.0017","13.625","0.002","60.806","0.015","67.338","0.012","81.515","0.009","1849.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31.5 Cd2 I3 N8 O4.25 -","- C27 H31.5 Cd2 I3 N8 O4.25 -","- C54 H63 Cd4 I6 N16 O8.5 -","2","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","0.71073","MoKα","","0.1261","0.0647","","","0.1075","0.1359","","","","","","1.024","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249524","9.9962","0.0009","17.1239","0.0015","18.0077","0.0015","88.751","0.007","80.7","0.007","86.179","0.007","3035","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 Cl N18 O3 S5 Zn3 -","- C54 H51 Cl N18 O3 S5 Zn3 -","- C108 H102 Cl2 N36 O6 S10 Zn6 -","2","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","1.54178","CuKα","","0.1281","0.0675","","","0.1595","0.1927","","","","","","0.992","","","","has coordinates","296471","2024-12-06","17:39:38",""
"7249525","11.0324","0.0002","11.5939","0.0002","11.6322","0.0002","87.6516","0.0012","64.7318","0.001","75.0133","0.0011","1295.62","0.04","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 Cl3.8 I0.2 N12 O12 Zn4 -","- C42 H48 Cl3.7986 I0.2014 N12 O12 Zn4 -","- C42 H48 Cl3.7986 I0.2014 N12 O12 Zn4 -","1","0.5","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","1.54178","CuKα","","0.0324","0.0267","","","0.0642","0.0664","","","","","","1.06","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249526","13.4958","0.0005","13.0911","0.0006","18.1432","0.001","90","","105.152","0.005","90","","3094","0.3","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cd4 I6 N14 O2 S2 -","- C48 H44 Cd4 I6 N14 O2 S2 -","- C96 H88 Cd8 I12 N28 O4 S4 -","2","0.5","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","0.71073","MoKα","","0.0932","0.0553","","","0.0823","0.0938","","","","","","1.071","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249527","13.6636","0.0005","23.7116","0.0011","18.948","0.0009","90","","100.645","0.0014","90","","6033.2","0.5","302","0.1","302","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H55 Cl4 N15 O5 S2 Zn3 -","- C51 H55 Cl4 N15 O5 S2 Zn3 -","- C204 H220 Cl16 N60 O20 S8 Zn12 -","4","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","x-ray","0.71073","MoKα","","0.1024","0.0506","","","0.097","0.1235","","","","","","1.024","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249528","9.5427","0.0002","20.9229","0.0005","12.6458","0.0004","90","","93.541","0.003","90","","2520.05","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 Eu N3 O6 -","- C61 H50 Eu N3 O6 -","- C122 H100 Eu2 N6 O12 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","0.71073","MoKα","","0.0431","0.0353","","","0.0639","0.0667","","","","","","1.015","","","","has coordinates","296483","2024-12-06","17:44:59",""
"7249529","9.5481","0.0002","20.9561","0.0004","12.6388","0.0004","90","","93.576","0.002","90","","2523.99","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 N3 O6 Sm -","- C61 H50 N3 O6 Sm -","- C122 H100 N6 O12 Sm2 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","1.54178","CuKα","","0.0552","0.0491","","","0.1275","0.1346","","","","","","1.057","","","","has coordinates","296483","2024-12-06","17:45:00",""
"7249530","9.5536","0.0009","20.8906","0.0012","12.6394","0.001","90","","93.363","0.009","90","","2518.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 Eu N3 O6 -","- C61 H50 Eu N3 O6 -","- C122 H100 Eu2 N6 O12 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","0.71073","MoKα","","0.1146","0.0824","","","0.1527","0.1748","","","","","","1.048","","","","has coordinates","296483","2024-12-06","17:45:00",""
"7249531","9.552","0.0002","20.9501","0.0005","12.6405","0.0003","90","","93.56","0.002","90","","2524.68","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 N3 O6 Sm -","- C61 H50 N3 O6 Sm -","- C122 H100 N6 O12 Sm2 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","1.54178","CuKα","","0.0882","0.0833","","","0.2166","0.2257","","","","","","1.062","","","","has coordinates","296483","2024-12-06","17:45:00",""
"7249532","15.637","0.008","15.719","0.005","15.754","0.006","60.328","0.011","65.25","0.04","82.83","0.03","3039","2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H102 N6 O50 P8 V12 -","- C70 H102 N6 O50 P8 V12 -","- C70 H102 N6 O50 P8 V12 -","1","0.5","","Huang, Li; Yang, Yufan; Yu, Xiaoyang; Li, Xiaonan; Shen, Yuan; Song, Runhong; Zhang, Hong","Two polyoxovanadates for visible light driven photocatalytic performance","CrystEngComm","2024","26","43","6226","6234","10.1039/D4CE00494A","","","1.54178","CuKα","","0.1224","0.0763","","","0.1951","0.2208","","","","","","1.034","","","","has coordinates","295759","2024-11-04","14:37:49",""
"7249533","21.11","0.004","25.413","0.004","26.005","0.005","90","","90.082","0.006","90","","13951","4","295","2","294.85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 N8 O56 P8 V16 -","- C63.9998 H103.999 N7.9999 O56 P8 V16 -","- C255.999 H415.997 N31.9996 O224 P32 V64 -","4","1","","Huang, Li; Yang, Yufan; Yu, Xiaoyang; Li, Xiaonan; Shen, Yuan; Song, Runhong; Zhang, Hong","Two polyoxovanadates for visible light driven photocatalytic performance","CrystEngComm","2024","26","43","6226","6234","10.1039/D4CE00494A","","","0.71073","MoKα","","0.1338","0.0804","","","0.2105","0.2472","","","","","","1.039","","","","has coordinates","295759","2024-11-04","14:37:50",""
"7249534","6.648","0.0006","7.4057","0.0005","7.122","0.0007","90","","113.802","0.011","90","","320.81","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 K N5 -","- C5 H4 K N5 -","- C10 H8 K2 N10 -","2","1","","Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine E. A.","Crystal structures of potassium and cesium salts of adenine: the role of alkali cations","CrystEngComm","2024","26","48","6805","6812","10.1039/D4CE00892H","","x-ray","0.71073","MoKα","","0.0265","0.0244","","","0.0644","0.065","","","","","","1.064","","","","has coordinates","297105","2025-01-06","11:47:27",""
"7249535","12.7149","0.0008","11.1762","0.0008","10.8144","0.0009","90","","90","","90","","1536.77","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H4 Cs N5 -","- C5 H4 Cs N5 -","- C40 H32 Cs8 N40 -","8","1","","Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine E. A.","Crystal structures of potassium and cesium salts of adenine: the role of alkali cations","CrystEngComm","2024","26","48","6805","6812","10.1039/D4CE00892H","","x-ray","0.71073","MoKα","","0.0625","0.0551","","","0.1358","0.1415","","","","","","1.113","","","","has coordinates","297105","2025-01-06","11:47:28",""
"7249540","8.239","0.002","20.45","0.004","6.036","0.001","90","","90","","90","","1017","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0581","0.0537","","","0.1493","0.1579","","","","","","1.055","","","","has coordinates","296475","2024-12-06","17:41:03",""
"7249541","7.923","0.002","20.978","0.004","5.897","0.001","90","","90","","90","","980.1","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0655","0.0427","","","0.1229","0.1403","","","","","","1.016","","","","has coordinates","296475","2024-12-06","17:41:05",""
"7249542","5.825","0.001","7.79","0.002","20.775","0.004","90","","95.03","0.03","90","","939.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","1","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0593","0.0555","","","0.1724","0.1758","","","","","","1.048","","","","has coordinates","296475","2024-12-06","17:41:05",""
"7249543","7.959","0.002","20.594","0.004","5.977","0.001","90","","90","","90","","979.7","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13.28 H10.28 N S0.36 -","- C13.28 H10.28 N S0.36 -","- C53.12 H41.12 N4 S1.44 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.1094","0.0636","","","0.1738","0.207","","","","","","1.023","","","","has coordinates,has disorder","296475","2024-12-06","17:41:05",""
"7249544","8.169","0.002","20.915","0.004","6.053","0.001","90","","90","","90","","1034.2","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13.36 H10.36 N S0.32 -","- C13.36 H10.36 N S0.32 -","- C53.44 H41.44 N4 S1.28 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.1886","0.1205","","","0.271","0.3268","","","","","","1.003","","","","has coordinates,has disorder","296475","2024-12-06","17:41:05",""
"7249545","8.081","0.002","20.137","0.004","6.033","0.001","90","","90","","90","","981.7","0.4","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0553","0.0468","","","0.1181","0.1243","","","","","","1.043","","","","has coordinates","296475","2024-12-06","17:41:05",""
"7249552","6.46278","0.00008","14.69136","0.00016","7.1434","0.00007","90","","91.2107","0.001","90","","678.093","0.013","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl4 N2 Zn -","- C6 H16 Cl4 N2 Zn -","- C12 H32 Cl8 N4 Zn2 -","2","0.5","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","x-ray","1.54184","CuKα","","0.0805","0.0791","","","0.2406","0.2427","","","","","","1.151","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249553","11.5162","0.0008","9.6416","0.0006","23.7933","0.0015","90","","90","","90","","2641.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl4 N2 Zn -","- C6 H16 Cl4 N2 Zn -","- C48 H128 Cl32 N16 Zn8 -","8","1","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","","0.71073","MoKα","","0.0293","0.0238","","","0.0535","0.0557","","","","","","1.05","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249554","6.6474","0.0005","14.8298","0.0011","21.9069","0.0019","90","","94.637","0.003","90","","2152.5","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Br6 N4 Zn -","- C10 H28 Br6 N4 Zn -","- C40 H112 Br24 N16 Zn4 -","4","1","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","","0.71073","MoKα","","0.0702","0.0416","","","0.0809","0.0885","","","","","","1.141","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249555","8.1323","0.0003","16.4609","0.0006","13.2339","0.0005","90","","105.928","0.001","90","","1703.54","0.11","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Br4 N2 Zn -","- C11 H18 Br4 N2 Zn -","- C44 H72 Br16 N8 Zn4 -","4","1","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","","0.71076","MoKα","","0.0633","0.0348","","","0.0702","0.078","","","","","","1.044","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249556","33.0404","0.001","33.0404","0.001","54.083","0.002","90","","90","","90","","59041","3","120.01","0.1","120.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C432 H360 Co24 N24 O126 S24 -","- C432 H360 Co24 N24 O126 S24 -","- C864 H720 Co48 N48 O252 S48 -","2","0.125","","Khariushin, Ivan V.; Bulach, Véronique; Ward, Jas S.; Rissanen, Kari; Solovieva, Svetlana E.; Antipin, Igor S.; Ovsyannikov, Alexander S.; Ferlay, Sylvie","Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylcalix[4]arene tetranuclear clusters and triazine linkers","CrystEngComm","2024","26","48","6789","6795","10.1039/D4CE00964A","","x-ray","1.54184","CuKα","","0.151","0.0858","","","0.2686","0.3117","","","","","","1.027","","","","has coordinates","297103","2025-01-06","11:46:56",""
"7249557","32.9311","0.0003","32.9311","0.0003","54.0192","0.0006","90","","90","","90","","58581.5","1","120.01","0.1","120.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C432 H360 N24 Ni24 O126 S24 -","- C432 H360 N24 Ni24 O126 S24 -","- C864 H720 N48 Ni48 O252 S48 -","2","0.125","","Khariushin, Ivan V.; Bulach, Véronique; Ward, Jas S.; Rissanen, Kari; Solovieva, Svetlana E.; Antipin, Igor S.; Ovsyannikov, Alexander S.; Ferlay, Sylvie","Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylcalix[4]arene tetranuclear clusters and triazine linkers","CrystEngComm","2024","26","48","6789","6795","10.1039/D4CE00964A","","x-ray","1.54184","CuKα","","0.1144","0.0895","","","0.2632","0.2982","","","","","","1.029","","","","has coordinates","297103","2025-01-06","11:46:58",""
"7249564","7.4426","0.0002","16.8474","0.0004","19.2123","0.0005","90","","90","","90","","2409","0.11","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Ag Bi Br8 N2 -","- C13 H14 Ag Bi Br8 N2 -","- C52 H56 Ag4 Bi4 Br32 N8 -","4","1","","Shentseva, Irina A.; Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Sokolov, Maxim N.; Adonin, Sergey A.","One-dimensional heterometallic Bi/Ag and Sb/Ag bromometalates(iii): structures, thermal stability and optical properties","CrystEngComm","2024","26","48","6823","6827","10.1039/D4CE01083C","","","0.71073","MoKα","","0.0379","0.0308","","","0.0596","0.0617","","","","","","1.008","","","","has coordinates","297108","2025-01-06","11:49:36",""
"7249565","7.9539","0.0003","11.8928","0.0004","12.5004","0.0004","96.348","0.001","105.426","0.001","108.237","0.001","1058.08","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Ag Bi Br6 N4 -","- C10 H16 Ag Bi Br6 N4 -","- C20 H32 Ag2 Bi2 Br12 N8 -","2","1","","Shentseva, Irina A.; Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Sokolov, Maxim N.; Adonin, Sergey A.","One-dimensional heterometallic Bi/Ag and Sb/Ag bromometalates(iii): structures, thermal stability and optical properties","CrystEngComm","2024","26","48","6823","6827","10.1039/D4CE01083C","","","0.71073","MoKα","","0.0456","0.0326","","","0.0609","0.0649","","","","","","1.015","","","","has coordinates","297108","2025-01-06","11:49:38",""
"7249566","22.2373","0.0007","8.0757","0.0002","35.0456","0.0009","90","","104.866","0.001","90","","6082.9","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Ag2 Br17 N12 Sb3 -","- C30 H48 Ag2 Br17 N12 Sb3 -","- C120 H192 Ag8 Br68 N48 Sb12 -","4","0.5","","Shentseva, Irina A.; Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Sokolov, Maxim N.; Adonin, Sergey A.","One-dimensional heterometallic Bi/Ag and Sb/Ag bromometalates(iii): structures, thermal stability and optical properties","CrystEngComm","2024","26","48","6823","6827","10.1039/D4CE01083C","","","0.71073","MoKα","","0.0398","0.0278","","","0.0531","0.0564","","","","","","1.022","","","","has coordinates","297108","2025-01-06","11:49:38",""
"7249567","32.665","0.003","32.665","0.003","8.0636","0.0008","90","","90","","90","","8603.9","1.4","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H22 Cu2 N10 O9 S2 -","- C24 H22 Cu2 N10 O9 S2 -","- C192 H176 Cu16 N80 O72 S16 -","8","1","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.1058","0.0665","","","0.1381","0.1541","","","","","","0.99","","","","has coordinates","296482","2024-12-06","17:44:43",""
"7249568","35.241","0.003","8.9159","0.0008","13.4655","0.001","90","","103.584","0.003","90","","4112.6","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Cu2 N10 O12 S2 -","- C34 H40 Cu2 N10 O12 S2 -","- C136 H160 Cu8 N40 O48 S8 -","4","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0859","0.0594","","","0.1581","0.1789","","","","","","1.032","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249569","7.3614","0.0009","20.225","0.003","12.8581","0.0019","90","","99.97","0.005","90","","1885.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cu2 N10 O10 S2 -","- C36 H32 Cu2 N10 O10 S2 -","- C72 H64 Cu4 N20 O20 S4 -","2","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.1283","0.0686","","","0.1389","0.1676","","","","","","1.06","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249570","35.463","0.004","8.9912","0.0011","12.8607","0.0014","90","","109.184","0.004","90","","3873","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu2 N10 O12 S2 -","- C30 H32 Cu2 N10 O12 S2 -","- C120 H128 Cu8 N40 O48 S8 -","4","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0477","0.0417","","","0.105","0.1088","","","","","","1.071","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249571","8.808","0.002","13.721","0.003","18.327","0.004","103.78","0.008","103.852","0.007","94.205","0.007","2068.5","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Cu4 N20 O26 S4 -","- C66 H76 Cu4 N20 O26 S4 -","- C66 H76 Cu4 N20 O26 S4 -","1","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0779","0.0506","","","0.1261","0.1436","","","","","","1.031","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249572","11.938","0.004","30.421","0.01","15.066","0.004","90","","106.633","0.01","90","","5243","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu N6 O4 S3 -","- C20 H16 Cu N6 O4 S3 -","- C160 H128 Cu8 N48 O32 S24 -","8","1","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0877","0.0595","","","0.1441","0.1632","","","","","","1.086","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249573","11.2298","0.0012","11.8856","0.001","20.87","0.002","83.037","0.003","87.851","0.004","69.678","0.003","2592.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H76 Cu6 N32 O30 S6 -","- C80 H76 Cu6 N32 O30 S6 -","- C80 H76 Cu6 N32 O30 S6 -","1","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0934","0.054","","","0.1222","0.1409","","","","","","1.007","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249574","9.3838","0.0007","9.3838","0.0007","6.1509","0.0007","90","","90","","90","","541.62","0.08","296.15","","296.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Eu2 Ge2 O S6 Zn -","- Eu2 Ge2 O S6 Zn -","- Eu4 Ge4 O2 S12 Zn2 -","2","0.25","","Wang, Guili; Wu, Wentian; Li, Chunxiao; Yao, Jiyong","Rare-earth oxychalcogenide Eu2ZnGe2OS6: a phase-matching infrared nonlinear optical material with [GeOS3] units","CrystEngComm","2024","26","47","6683","6687","10.1039/D4CE01051E","","","0.71073","MoKα","","0.0228","0.0219","","","0.05","0.0505","","","","","","1.104","","","","has coordinates","296480","2024-12-06","17:43:18",""
"7249576","9.8282","0.0005","19.5453","0.0009","16.251","0.0008","90","","98.094","0.002","90","","3090.6","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Cl N5 O3 Ru2 -","- C34 H31 Cl N5 O3 Ru2 -","- C136 H124 Cl4 N20 O12 Ru8 -","4","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","","1.54178","CuKα","","0.0373","0.0357","","","0.1003","0.1018","","","","","","1.073","","","","has coordinates","296478","2024-12-06","17:42:10",""
"7249577","12.9823","0.0004","13.7386","0.0004","14.3812","0.0004","93.766","0.002","109.216","0.003","112.885","0.003","2175.45","0.14","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cl N6 O6 Ru2 -","- C41 H46 Cl N6 O6 Ru2 -","- C82 H92 Cl2 N12 O12 Ru4 -","2","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.1165","0.1177","","","","","","1.094","","","","has coordinates,has disorder","296478","2024-12-06","17:42:10",""
"7249578","12.5721","0.0007","21.1723","0.0009","13.9407","0.0007","90","","97.231","0.004","90","","3681.2","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 Cl N5 O7 Ru2 -","- C38 H39 Cl N5 O7 Ru2 -","- C152 H156 Cl4 N20 O28 Ru8 -","4","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","","1.54178","CuKα","","0.125","0.0687","","","0.1593","0.1914","","","","","","1.025","","","","has coordinates","296478","2024-12-06","17:42:10",""
"7249579","12.6609","0.0006","12.1468","0.0006","24.352","0.0012","90","","100.814","0.002","90","","3678.6","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl N6 O3 Ru2 -","- C38 H42 Cl N6 O3 Ru2 -","- C152 H168 Cl4 N24 O12 Ru8 -","4","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","","1.54178","CuKα","","0.0272","0.0264","","","0.0749","0.0756","","","","","","1.07","","","","has coordinates","296478","2024-12-06","17:42:10",""
"7249580","5.3382","0.0003","12.9726","0.0008","10.5955","0.0007","90","","101.71","0.002","90","","718.47","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H5 N2 O4 Re -","- C4 H5 N2 O4 Re -","- C16 H20 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0199","0.0154","","","0.0302","0.0311","","","","","","1.074","","","","has coordinates","296470","2024-12-06","17:38:01",""
"7249581","5.807","0.002","6.087","0.002","6.157","0.002","95.814","0.011","94.57","0.011","100.825","0.011","211.57","0.12","100","2","100.15","","","","","","","","","5","P 1","P 1","1","","","","- C5 H12 N O4 Re -","- C5 H12 N O4 Re -","- C5 H12 N O4 Re -","1","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0187","0.0187","","","0.0333","0.0333","","","","","","1.011","","","","has coordinates","296470","2024-12-06","17:38:02",""
"7249582","12.086","0.002","8.5629","0.0014","8.349","0.0013","90","","90","","90","","864","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 N2 O4 Re -","- C5 H10 N2 O4 Re -","- C20 H40 N8 O16 Re4 -","4","0.5","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0376","0.0274","","","0.0531","0.0566","","","","","","1.064","","","","has coordinates","296470","2024-12-06","17:38:12",""
"7249583","6.2945","0.0004","7.3292","0.0004","7.3349","0.0004","115.398","0.002","107.627","0.002","90.178","0.002","287.83","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 N2 O8 Re2 -","- C4 H12 N2 O8 Re2 -","- C4 H12 N2 O8 Re2 -","1","0.5","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0249","0.0218","","","0.0358","0.0367","","","","","","1.055","","","","has coordinates","296470","2024-12-06","17:38:13",""
"7249584","5.8384","0.0005","8.7977","0.0007","14.3012","0.0012","90","","99.293","0.002","90","","724.93","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N2 O4 Re -","- C4 H5 N2 O4 Re -","- C16 H20 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0347","0.0269","","","0.0526","0.0549","","","","","","1.061","","","","has coordinates","296470","2024-12-06","17:38:24",""
"7249585","7.0126","0.0009","8.0573","0.001","14.2499","0.0017","99.816","0.005","91.37","0.005","93.454","0.005","791.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 N2 O4 Re -","- C4 H7 N2 O4 Re -","- C16 H28 N8 O16 Re4 -","4","2","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0661","0.0464","","","0.0929","0.1002","","","","","","1.031","","","","has coordinates","296470","2024-12-06","17:38:25",""
"7249586","5.1704","0.0002","12.0115","0.0006","9.95","0.0005","90","","94.583","0.001","90","","615.96","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 N3 O4 Re -","- C2 H4 N3 O4 Re -","- C8 H16 N12 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0223","0.0208","","","0.0488","0.0495","","","","","","1.163","","","","has coordinates","296470","2024-12-06","17:38:35",""
"7249587","5.4022","0.0003","14.7984","0.0009","9.4457","0.0006","90","","94.184","0.003","90","","753.11","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N2 O4 Re -","- C4 H7 N2 O4 Re -","- C16 H28 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0429","0.0293","","","0.0545","0.0597","","","","","","1.06","","","","has coordinates","296470","2024-12-06","17:38:45",""
"7249588","10.7017","0.0009","11.3642","0.0009","12.4987","0.0011","90","","106.006","0.003","90","","1461.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N2 O8 Re -","- C12 H11 N2 O8 Re -","- C48 H44 N8 O32 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0723","0.0438","","","0.0764","0.0871","","","","","","1.005","","","","has coordinates","296470","2024-12-06","17:38:46",""
"7249589","9.8128","0.0003","9.7587","0.0003","7.4027","0.0002","90","","101.976","0.001","90","","693.45","0.04","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N2 O4 Re -","- C4 H5 N2 O4 Re -","- C16 H20 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0171","0.0143","","","0.0299","0.0305","","","","","","1.093","","","","has coordinates","296470","2024-12-06","17:38:47",""
"7249590","5.4974","0.0003","8.7838","0.0006","15.4679","0.001","90","","96.576","0.003","90","","742","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N O4 Re -","- C4 H10 N O4 Re -","- C16 H40 N4 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0218","0.0197","","","0.0388","0.0392","","","","","","1.293","","","","has coordinates","296470","2024-12-06","17:38:57",""
"7249595","18.778","0.0006","22.8484","0.0006","18.0407","0.0006","90","","90","","90","","7740.3","0.4","130","2","130","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)thulium(III)] octahydrate}","","- C28 H46 N4 Na O23 Tm -","- C28 H46 N4 Na O23 Tm -","- C224 H368 N32 Na8 O184 Tm8 -","8","1","","Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier","A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning","CrystEngComm","2024","26","47","6707","6718","10.1039/D4CE00881B","","","0.71073","MoKα","","0.0479","0.0268","","","0.0493","0.0583","","","","","","1.05","","","","has coordinates","296479","2024-12-06","17:42:43",""
"7249596","22.937","0.005","18.16","0.004","18.791","0.004","90","","90","","90","","7827","3","150","","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)dysprosium(III)/europium(III)/yttrium(III) (0.77/0.12/0.11] octahydrate}","","- C28 H46 Dy0.77 Eu0.12 N4 Na O23 Y0.11 -","- C28 H46 Dy0.77 Eu0.12 N4 Na O23 Y0.11 -","- C224 H368 Dy6.16 Eu0.96 N32 Na8 O184 Y0.88 -","8","1","","Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier","A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning","CrystEngComm","2024","26","47","6707","6718","10.1039/D4CE00881B","","","0.71073","MoKα","","0.0752","0.0445","","","0.0836","0.1118","","","","","","1.124","","","","has coordinates","296479","2024-12-06","17:42:56",""
"7249597","18.2627","0.0007","18.6667","0.0009","22.938","0.0009","90","","90","","90","","7819.7","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)neodymium(III)] octahydrate}","","- C28 H46 N4 Na Nd O23 -","- C28 H46 N4 Na Nd O23 -","- C224 H368 N32 Na8 Nd8 O184 -","8","1","","Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier","A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning","CrystEngComm","2024","26","47","6707","6718","10.1039/D4CE00881B","","","0.71073","MoKα","","0.0318","0.024","","","0.0584","0.0625","","","","","","1.033","","","","has coordinates","296479","2024-12-06","17:42:56",""
"7249599","11.6467","0.0003","5.656","0.0001","31.9545","0.0012","90","","90","","90","","2104.96","0.1","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H6 F3 N5 O4 -","- C6 H6 F3 N5 O4 -","- C48 H48 F24 N40 O32 -","8","2","","Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua","3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as an insensitive and thermostable energetic melt-castable material","CrystEngComm","2025","27","1","8","12","10.1039/D4CE01036A","","","1.54178","CuKα","","0.0785","0.0664","","","0.1828","0.1933","","","","","","1.056","","","","has coordinates","298177","2025-03-04","19:40:07",""
"7249601","12.7721","0.0003","9.5804","0.0002","19.5867","0.0004","90","","101.106","0.002","90","","2351.78","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H8 Hg O3 S -","- C11 H8 Hg O3 S -","- C88 H64 Hg8 O24 S8 -","8","2","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1001","0.1005","","","","","","1.24","","","","has coordinates","298173","2025-03-04","19:38:19",""
"7249602","6.112","0.0002","7.8713","0.0003","14.3546","0.0008","101.423","0.004","102.236","0.004","90.002","0.003","660.9","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Hg O3 S -","- C12 H10 Hg O3 S -","- C24 H20 Hg2 O6 S2 -","2","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0717","0.075","","","","","","1.075","","","","has coordinates,has disorder","298173","2025-03-04","19:38:19",""
"7249603","11.2805","0.0014","10.9819","0.0018","38.981","0.004","90","","90","","90","","4829","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cl3 N3 O3 S -","- C21 H30 Cl3 N3 O3 S -","- C168 H240 Cl24 N24 O24 S8 -","8","1","","Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of N-chloroquinuclidinium with chloride: strong halogen bonding via chlorine atoms","CrystEngComm","2024","26","48","6784","6788","10.1039/D4CE01053A","","","1.54178","CuKα","","0.0467","0.0412","","","0.1249","0.1297","","","","","","1.064","","","","has coordinates","297104","2025-01-06","11:47:17",""
"7249604","8.4794","0.0005","28.338","0.0018","7.7102","0.0005","90","","116.892","0.002","90","","1652.33","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cl N O3 S -","- C7 H4 Cl N O3 S -","- C56 H32 Cl8 N8 O24 S8 -","8","2","","Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of N-chloroquinuclidinium with chloride: strong halogen bonding via chlorine atoms","CrystEngComm","2024","26","48","6784","6788","10.1039/D4CE01053A","","","0.71073","MoKα","","0.0312","0.0284","","","0.0772","0.0783","","","","","","1.124","","","","has coordinates","297104","2025-01-06","11:47:18",""
"7249605","7.0792","0.0008","10.8984","0.0012","11.037","0.0013","90","","90","","90","","851.53","0.17","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C7 H13 Cl2 N -","- C7 H13 Cl2 N -","- C28 H52 Cl8 N4 -","4","0.5","","Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of N-chloroquinuclidinium with chloride: strong halogen bonding via chlorine atoms","CrystEngComm","2024","26","48","6784","6788","10.1039/D4CE01053A","","","1.54178","CuKα","","0.0327","0.0309","","","0.0788","0.0798","","","","","","1.136","","","","has coordinates","297104","2025-01-06","11:47:18",""
"7249606","7.2355","0.0013","18.528","0.003","8.8381","0.0014","90","","108.97","0.02","90","","1120.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 N4 O14 P4 -","- C10 H24 N4 O14 P4 -","- C20 H48 N8 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts","CrystEngComm","2024","26","48","6861","6872","10.1039/D4CE01048E","","x-ray","0.71073","MoKα","","0.0342","0.0262","","","0.0683","0.072","","","","","","1.085","","","","has coordinates","297107","2025-01-06","11:49:22",""
"7249607","6.41","0.002","15.099","0.004","10.548","0.003","90","","100.68","0.03","90","","1003.2","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C20 H40 N8 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts","CrystEngComm","2024","26","48","6861","6872","10.1039/D4CE01048E","","x-ray","0.71073","MoKα","","0.062","0.0549","","","0.152","0.1634","","","","","","1.055","","","","has coordinates","297107","2025-01-06","11:49:22",""
"7249608","6.999","0.003","7.137","0.003","9.596","0.003","104.55","0.03","93.32","0.03","117.03","0.04","405","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts","CrystEngComm","2024","26","48","6861","6872","10.1039/D4CE01048E","","x-ray","0.71073","MoKα","","0.0341","0.0269","","","0.0757","0.0782","","","","","","1.065","","","","has coordinates","297107","2025-01-06","11:49:22",""
"7249609","17.485","0.003","11.248","0.002","16.257","0.003","90","","101.7","0.02","90","","3130.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C80 H128 N32 O48 P16 -","8","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts","CrystEngComm","2024","26","48","6861","6872","10.1039/D4CE01048E","","x-ray","1.5418","CuKα","","0.1579","0.0653","","","0.1168","0.1437","","","","","","0.992","","","","has coordinates","297107","2025-01-06","11:49:22",""
"7249610","12.496","0.002","16.008","0.003","15.982","0.002","90","","90","","90","","3197","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C80 H128 N32 O48 P16 -","8","2","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts","CrystEngComm","2024","26","48","6861","6872","10.1039/D4CE01048E","","x-ray","1.5418","CuKα","","0.0465","0.0384","","","0.0905","0.0948","","","","","","1.058","","","","has coordinates,has disorder","297107","2025-01-06","11:49:22",""
"7249611","13.6868","0.0007","27.5022","0.0013","14.2474","0.0007","90","","107.142","0.002","90","","5124.7","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C188 H92 Cl40 Co4 N8 Nd4 O40 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0431","0.0333","","","0.0709","0.0817","","","","","","1.1423","","","","has coordinates","297106","2025-01-06","11:49:02",""
"7249612","14.2012","0.0005","14.82","0.0006","14.9435","0.0006","113.66","0.001","105.312","0.001","105.382","0.001","2521.2","0.17","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H46 Cl20 Co2 N4 O20 Sm2 -","- C94 H46 Cl20 Co2 N4 O20 Sm2 -","- C94 H46 Cl20 Co2 N4 O20 Sm2 -","1","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0535","0.0376","","","0.0702","0.0767","","","","","","1.014","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249613","14.2163","0.0005","14.8478","0.0006","14.9555","0.0006","113.716","0.001","105.246","0.001","105.359","0.001","2531.17","0.18","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","1","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0666","0.0615","","","0.165","0.1724","","","","","","1.024","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249614","13.6691","0.0011","27.334","0.002","14.169","0.0011","90","","107.296","0.001","90","","5054.6","0.7","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 N4 O20 Tb2 -","- C94 H46 Cl20 Co2 N4 O20 Tb2 -","- C188 H92 Cl40 Co4 N8 O40 Tb4 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0574","0.0449","","","0.0957","0.1006","","","","","","1.2","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249615","13.7208","0.0009","27.4634","0.0018","14.2459","0.0009","90","","107.238","0.001","90","","5127","0.6","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Gd2 N4 O20 -","- C94 H46 Cl20 Co2 Gd2 N4 O20 -","- C188 H92 Cl40 Co4 Gd4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0532","0.038","","","0.0728","0.0779","","","","","","1.114","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249616","14.2019","0.0007","14.8248","0.0006","14.9537","0.0006","113.627","0.001","105.373","0.001","105.352","0.001","2524.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","1","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.042","0.0329","","","0.0753","0.0803","","","","","","1.02","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249617","13.7057","0.0006","27.3903","0.0012","14.2116","0.0006","90","","107.279","0.001","90","","5094.3","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Dy2 N4 O20 -","- C94 H46 Cl20 Co2 Dy2 N4 O20 -","- C188 H92 Cl40 Co4 Dy4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0472","0.0366","","","0.0724","0.076","","","","","","1.148","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249618","13.6555","0.0018","27.197","0.003","14.1467","0.0018","90","","107.317","0.002","90","","5015.8","1.1","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 N4 O20 Yb2 -","- C94 H46 Cl20 Co2 N4 O20 Yb2 -","- C188 H92 Cl40 Co4 N8 O40 Yb4 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0727","0.0497","","","0.094","0.1013","","","","","","1.158","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249619","13.7158","0.0015","27.325","0.003","14.1709","0.0016","90","","107.346","0.002","90","","5069.5","1","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Er2 N4 O20 -","- C94 H46 Cl20 Co2 Er2 N4 O20 -","- C188 H92 Cl40 Co4 Er4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0524","0.0416","","","0.0869","0.0912","","","","","","1.159","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249620","13.696","0.005","27.504","0.005","14.247","0.005","90","0.005","107.125","0.005","90","0.005","5129","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H48 Cl20 Co2 N4 O20 Sm2 -","- C94 H48 Cl20 Co2 N4 O20 Sm2 -","- C188 H96 Cl40 Co4 N8 O40 Sm4 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71069","MoKα","","0.0523","0.0361","","","0.0764","0.0833","","","","","","1.062","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249621","13.6871","0.0008","27.4541","0.0016","14.2161","0.0008","90","","107.159","0.001","90","","5104.2","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C188 H92 Cl40 Co4 Eu4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen","Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","26","48","6873","6882","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0576","0.0405","","","0.0851","0.0919","","","","","","1.073","","","","has coordinates","297106","2025-01-06","11:49:03",""
"7249622","32.329","0.0019","32.329","0.0019","7.1254","0.0005","90","","90","","120","","6449.5","0.7","296","","296","","","","","","","","","3","P 64","P 64","172","","","","- C33.05 H56.45 O2 -","- C32 H54 O2 -","- C192 H324 O12 -","6","1","","Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Structure features of a supramolecular organic framework self-assembled from a chiral natural compound","CrystEngComm","2025","27","3","297","301","10.1039/D4CE01008F","","x-ray","0.71073","MoKα","K-L~3~","0.0646","0.0426","","","0.0958","0.1042","","","","","","0.978","","","","has coordinates,has disorder","298221","2025-03-04","19:53:27",""
"7249623","10.201","0.004","10.349","0.004","11.762","0.005","86.291","0.01","74.948","0.008","78.418","0.009","1174.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","1","0.5","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2009","0.0992","","","0.2171","0.2669","","","","","","1.056","","","","has coordinates","298197","2025-03-04","19:47:19",""
"7249624","8.7721","0.0012","11.1218","0.0016","13.0204","0.0018","91.724","0.003","107.466","0.003","105.767","0.003","1157.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N8 O3 -","- C24 H20 Cu N8 O3 -","- C48 H40 Cu2 N16 O6 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2104","0.074","","","0.1243","0.1699","","","","","","0.961","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249625","5.1202","0.0003","7.4808","0.0004","30.0866","0.0017","94.0667","0.0011","92.6734","0.0011","95.8618","0.0012","1141.81","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu N4 O7 -","- C21 H28 Cu N4 O7 -","- C42 H56 Cu2 N8 O14 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0847","0.0872","","","","","","1.045","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249627","15.043","0.003","7.2223","0.0013","23.229","0.004","90","","100.863","0.005","90","","2478.5","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O2 S -","- C27 H28 N4 O2 S -","- C108 H112 N16 O8 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.126","0.0658","","","0.1601","0.1944","","","","","","1.024","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249628","3.968","0.002","19.46","0.011","25.084","0.013","90","","91.79","0.02","90","","1936","1.8","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1621","0.0778","","","0.1701","0.2131","","","","","","1.046","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249629","24.961","0.006","17.276","0.004","14.02","0.003","90","","122.367","0.007","90","","5106","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0907","0.0773","","","0.221","0.2322","","","","","","1.075","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249630","31.105","0.003","9.3163","0.001","19.108","0.002","90","","118.737","0.003","90","","4855.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N8 O4 S2 Zn -","- C52 H50 N8 O4 S2 Zn -","- C208 H200 N32 O16 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0756","0.0473","","","0.1203","0.1543","","","","","","1.188","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249631","9.909","0.005","15.867","0.009","18.059","0.01","105.037","0.019","97.95","0.02","103.998","0.019","2599","2","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C46.2 H30.2 Cl10.6 N6 S2 Zn -","- C45 H29 Cl7 N6 S2 Zn -","- C90 H58 Cl14 N12 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1161","0.0734","","","0.2175","0.2425","","","","","","1.069","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249632","8.74","0.003","16.268","0.006","18.987","0.007","83.243","0.012","85.719","0.013","85.156","0.013","2665.6","1.7","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 N9 O5 S2 Zn -","- C55 H57 N9 O5 S2 Zn -","- C110 H114 N18 O10 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0839","0.0625","","","0.1655","0.1787","","","","","","1.014","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249633","8.1754","0.0006","19.3485","0.0014","23.8411","0.0018","90","","90","","90","","3771.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O S -","- C23 H19 N3 O S -","- C184 H152 N24 O8 S8 -","8","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0656","0.0425","","","0.0998","0.1105","","","","","","1.036","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249634","25.202","0.002","9.4183","0.0009","20.248","0.002","90","","90","","90","","4806.1","0.8","144","2","144","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0755","0.0677","","","0.1734","0.1827","","","","","","1.042","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249635","4.4462","0.0003","18.662","0.0014","22.7605","0.0017","90","","90","","90","","1888.6","0.2","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1264","0.0642","","","0.1084","0.1401","","","","","","1.176","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249638","7.37282","0.00015","9.47074","0.0002","11.36393","0.00022","90","","103.801","0.0011","90","","770.59","0.03","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","HoCr3(BO3)4","- B4 Cr3 Ho O12 -","- B4 Cr3 Ho O12 -","- B16 Cr12 Ho4 O48 -","4","0.5","","Moshkina, Evgeniya; Mikhashenok, Natalya; Kokh, Dieter; Pavlovskiy, Maxim; Cherepakhin, Alexander; Eremin, Evgeniy; Zolotov, Andrey; Molokeev, Maxim","Study of flux growth of Cr-containing borates and oxyborates under the conditions of low Cr2O3 solubility","CrystEngComm","2025","27","2","226","237","10.1039/D4CE00943F","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","2.44","","","","","","","has coordinates","298194","2025-03-04","19:46:39",""
"7249640","10.7282","0.0009","10.7734","0.0009","11.9845","0.0011","85.55","0.002","65.237","0.002","64.849","0.002","1130.01","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F3 N5 O3 -","- C25 H18 F3 N5 O3 -","- C50 H36 F6 N10 O6 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.0718","0.0502","","","0.1207","0.1397","","","","","","1.071","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249641","8.012","0.0003","16.7621","0.0007","12.6282","0.0005","90","","91.0102","0.0003","90","","1695.68","0.12","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1065","0.0514","","","0.1286","0.1809","","","","","","1.076","","","","has coordinates,has disorder","298191","2025-03-04","19:46:09",""
"7249642","12.1866","0.0013","14.7266","0.0016","26.278","0.003","90","","99.145","0.003","90","","4656.1","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C208 H184 N24 O40 -","8","2","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1347","0.0634","","","0.1572","0.1847","","","","","","0.976","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249643","8.56884","0.00006","8.56884","0.00006","30.61946","0.00018","90","","90","","120","","1947.03","0.02","169.98","0.1","170","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0336","0.0318","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249644","8.61755","0.00019","8.61755","0.00019","30.5882","0.0006","90","","90","","120","","1967.22","0.07","270","1","270.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0347","0.0313","","","0.0821","0.0849","","","","","","1.046","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249645","12.0896","0.00008","20.35323","0.00015","13.73806","0.00009","90","","90","","90","","3380.42","0.04","100","1","100","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C19.41 H30.22 Cu2 N8 O8.59 -","- C19.406 H30.218 Cu2 N8 O8.594 -","- C77.624 H120.872 Cu8 N32 O34.376 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.7","synchrotron","","0.0296","0.0296","","","0.0805","0.0805","","","","","","1.047","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249646","8.3611","0.001","8.3611","0.001","30.45","0.003","90","","90","","120","","1843.5","0.4","370","1","370","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cu2 N8 O7 -","- C18 H24 Cu2 N8 O7 -","- C54 H72 Cu6 N24 O21 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.1029","0.0752","","","0.1967","0.2266","","","","","","0.963","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249647","12.09436","0.00016","13.9509","0.0002","20.3839","0.0003","90","","90","","90","","3439.32","0.08","170","1","170","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C18 H28 Cu2 N8 O8 -","- C18 H28 Cu2 N8 O8 -","- C72 H112 Cu8 N32 O32 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","1.54184","CuKα","","0.0299","0.0298","","","0.0816","0.0818","","","","","","1.042","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249648","13.3717","0.0009","13.3717","0.0009","36.41","0.002","90","","90","","120","","5638","0.6","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25.5 H54 Cu2 N8 O13.5 -","- C25.5 H54 Cu2 N8 O13.5 -","- C153 H324 Cu12 N48 O81 -","6","1","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.71073","MoKα","","0.1463","0.1068","","","0.1967","0.2223","","","","","","1.062","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249650","7.2425","0.0002","26.0431","0.0009","6.4409","0.0002","90","","90","","90","","1214.86","0.07","292.92","0.1","292.92","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H3 K N O3 -","- C5 H3 K N O3 -","- C40 H24 K8 N8 O24 -","8","1","","Simosono, Cintia A.; Flores, Leonã S.; Simões, Tatiana R. G.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda","Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology","CrystEngComm","2025","27","2","176","183","10.1039/D4CE01066C","","x-ray","0.71073","MoKα","","0.0402","0.0339","","","0.0764","0.0793","","","","","","1.066","","","","has coordinates","298192","2025-03-04","19:46:18",""
"7249652","8.1644","0.001","14.9055","0.0016","15.8041","0.0018","90","","103.034","0.004","90","","1873.7","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu I3 N4 -","- C10 H18 Cu I3 N4 -","- C40 H72 Cu4 I12 N16 -","4","0.5","","Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke","Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures","CrystEngComm","2025","27","1","38","45","10.1039/D4CE00750F","","x-ray","0.71073","MoKα","","0.0406","0.0322","","","0.0705","0.0757","","","","","","1.028","","","","has coordinates","298174","2025-03-04","19:38:29",""
"7249653","8.7857","0.0005","18.8668","0.0011","20.7919","0.0013","113.758","0.002","95.709","0.002","102.086","0.002","3018.7","0.3","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 N6 O16 S3 Tb3 -","- C60 H32 N6 O16 S3 Tb3 -","- C120 H64 N12 O32 S6 Tb6 -","2","1","","Xu, Shi-Xian; Lu, Na; Wang, Li; Liu, Sui-Jun","Chain-based fluorescent TbIII metal–organic framework with good stability as a blue-shift and turn-on sensor toward H2PO4−","CrystEngComm","2025","27","3","415","420","10.1039/D4CE01073F","","","0.71073","MoKα","","0.0786","0.0562","","","0.1401","0.1535","","","","","","1.036","","","","has coordinates","298217","2025-03-04","19:51:35",""
"7249654","6.514","0.0001","32.543","0.0008","12.9337","0.0003","90","","92.843","0.002","90","","2738.38","0.1","100","0.1","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 N16 O16 -","- C22.006 H6 N16.006 O16.006 -","- C88.024 H24 N64.024 O64.024 -","4","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","x-ray","1.54184","CuKα","","0.0962","0.0935","","","0.2444","0.2462","","","","","","1.058","","","","has coordinates,has disorder","298225","2025-03-04","19:54:32",""
"7249655","7.5638","0.0002","9.2989","0.0002","15.196","0.0004","93.97","0.001","92.746","0.001","100.653","0.001","1045.86","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 N14 O9 -","- C18 H8 N14 O9 -","- C36 H16 N28 O18 -","2","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","","0.71073","MoKα","","0.0889","0.0481","","","0.1228","0.155","","","","","","1.03","","","","has coordinates,has disorder","298225","2025-03-04","19:54:33",""
"7249656","7.6589","0.0003","8.3363","0.0003","22.852","0.0013","96.08","0.004","94.163","0.004","97.24","0.003","1433.78","0.11","146.55","0.16","146.55","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd2 N9 O8 -","- C31 H23 Cd2 N9 O8 -","- C62 H46 Cd4 N18 O16 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","x-ray","0.71073","MoKα","","0.041","0.0323","","","0.0634","0.069","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:14",""
"7249657","28.303","0.004","11.5779","0.0017","18.807","0.003","90","","128.062","0.002","90","","4852.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H19 Cd N9 O5.5 -","- C24.5 H19 Cd N9 O5.5 -","- C196 H152 Cd8 N72 O44 -","8","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0407","0.0288","","","0.0638","0.0674","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:18",""
"7249658","12.7084","0.0018","14.097","0.002","14.426","0.002","82.747","0.003","83.256","0.003","75.061","0.002","2467.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C98 H77 Cd4 Cl N36 O22 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0478","0.0397","","","0.109","0.1122","","","","","","1.067","","","","has coordinates","298219","2025-03-04","19:52:34",""
"7249659","15.9636","0.0003","6.6463","0.0001","11.5269","0.0002","90","","98.41","0.002","90","","1209.84","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0437","0.038","","","0.1038","0.1089","","","","","","1.066","","","","has coordinates","298175","2025-03-04","19:38:47",""
"7249660","7.8402","0.0001","12.4111","0.0001","12.473","0.0001","90","","96.746","0.001","90","","1205.29","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-a-MBACY","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0336","0.0329","","","0.0907","0.0915","","","","","","1.056","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249661","7.8401","0.0001","12.4094","0.0001","12.4685","0.0001","90","","96.71","0.001","90","","1204.76","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0416","0.0388","","","0.1042","0.107","","","","","","1.049","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249663","9.6534","0.0018","9.6534","0.0018","16.438","0.005","90","","90","","120","","1326.6","0.5","120.15","","298.15","","","","","","","","","4","P 63 m c","P 6c -2c","186","Phpm","TAC-HMTA","","- C18 H30 N14 S6 -","- C18 H30 N14 S6 -","- C36 H60 N28 S12 -","2","0.166667","","Yan, Wenjin; Wang, Tianwei; Hu, Yingxin; Chen, Longming; Wang, Peng; Pang, Chaoran; Lu, Rongwen; Zhang, Shufen","Two stacking types of three-dimensional cocrystal structures based on multiple hydrogen bonds","CrystEngComm","2025","27","2","269","276","10.1039/D4CE01071J","","","0.71073","MoKα","","0.0598","0.0455","","","0.1058","0.114","","","","","","1.057","","","","has coordinates","298198","2025-03-04","19:47:29",""
"7249664","15.4259","0.0002","21.5068","0.0003","15.6995","0.0002","90","","112.973","0.001","90","","4795.4","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H101 Cl6 N O28 Pb2 S8 -","- C83 H101 Cl6 N O28 Pb2 S8 -","- C166 H202 Cl12 N2 O56 Pb4 S16 -","2","0.5","","Kim, Seulgi; Ju, Kyunghye; Kim, Taehun; Park, In-Hyeok","An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(ii) complex via an endo/exo-coordination mode","CrystEngComm","2025","27","11","1529","1533","10.1039/D4CE01045K","","","0.71073","MoKα","","0.0553","0.0369","","","0.0745","0.0807","","","","","","1.031","","","","has coordinates,has disorder","298861","2025-04-05","02:41:20",""
"7249665","6.1429","0.00003","8.10668","0.00005","17.96048","0.00008","90","","93.279","0.0005","90","","892.941","0.008","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.022","0.022","","","0.0524","0.0524","","","","","","1.18","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249666","8.6295","0.0002","6.38437","0.00016","16.6319","0.0004","90","","91.796","0.002","90","","915.87","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0697","0.0701","","","","","","1.112","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249667","8.14289","0.0001","5.60083","0.00007","9.26194","0.00011","90","","105.499","0.0013","90","","407.048","0.009","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H3 F N4 O3 -","- C8 H3 F N4 O3 -","- C16 H6 F2 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0283","0.0282","","","0.0713","0.0714","","","","","","1.082","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249668","8.2076","0.0003","6.3054","0.0002","8.5808","0.0003","90","","108.588","0.003","90","","420.91","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 N4 O2 -","- C9 H6 N4 O2 -","- C18 H12 N8 O4 -","2","0.5","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.04","0.0382","","","0.1027","0.1041","","","","","","1.097","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249669","5.89689","0.00013","8.54466","0.00018","9.10721","0.00012","77.3481","0.0015","87.0582","0.0015","80.0249","0.0018","440.931","0.015","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N4 O3 -","- C9 H6 N4 O3 -","- C18 H12 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0994","0.1004","","","","","","1.062","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249670","11.5164","0.0004","16.3636","0.0006","16.3579","0.0006","75.334","0.002","83.411","0.001","74.951","0.002","2875.96","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H59 B2 Co Fe2 N25 O9 -","- C43 H59 B2 Co Fe2 N25 O9 -","- C86 H118 B4 Co2 Fe4 N50 O18 -","2","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","","0.71073","MoKα","","0.0828","0.0629","","","0.1696","0.1872","","","","","","1.06","","","","has coordinates","298220","2025-03-04","19:53:00",""
"7249671","10.9427","0.0011","13.2533","0.0014","14.3559","0.0015","69.317","0.003","75.823","0.003","69.273","0.003","1804.5","0.3","101.42","","101.42","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","1","0.5","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","0.71073","MoKα","","0.0396","0.0302","","","0.0772","0.0819","","","","","","1.047","","","","has coordinates","298220","2025-03-04","19:53:01",""
"7249672","12.1471","0.0008","26.0291","0.0014","12.147","0.0008","90","","106.52","","90","","3682.1","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B2 Co F4 Fe N16 O2 -","- C29 H31 B2 Co F4 Fe N16 O2 -","- C116 H124 B8 Co4 F16 Fe4 N64 O8 -","4","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","1.34139","GaKα","","0.1083","0.0826","","","0.2033","0.2145","","","","","","1.044","","","","has coordinates","298220","2025-03-04","19:53:02",""
"7249673","7.6704","0.0002","8.0941","0.0003","8.4392","0.0003","90.866","0.001","109.238","0.001","92.487","0.001","493.98","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Cs N12 -","- C4 H3 Cs N12 -","- C8 H6 Cs2 N24 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","0.71073","MoKα","","0.0183","0.0174","","","0.0434","0.0438","","","","","","1.052","","","","has coordinates","298195","2025-03-04","19:46:49",""
"7249674","12.5111","0.0004","6.5119","0.0002","26.0556","0.0007","90","","90","","90","","2122.78","0.11","223","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N12 Na O2 -","- C4 H7 N12 Na O2 -","- C32 H56 N96 Na8 O16 -","8","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.0413","0.0338","","","0.0879","0.0926","","","","","","1.07","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249675","6.7583","0.0002","7.8975","0.0002","9.8534","0.0003","85.648","0.002","73.651","0.002","87.923","0.002","503.13","0.03","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 K N12 O -","- C4 H5 K N12 O -","- C8 H10 K2 N24 O2 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.048","0.0391","","","0.1035","0.1105","","","","","","1.056","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249676","10.8914","0.0015","13.7161","0.0017","16.245","0.002","74.024","0.006","86.691","0.006","72.279","0.005","2221.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","1","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0483","0.0464","","","0.1016","0.1027","","","","","","1.298","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249677","8.7595","0.0006","6.7789","0.0005","11.8297","0.0009","90","","95.615","0.003","90","","699.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 Cl4 O8 Y -","- C8 H10 Cl4 O8 Y -","- C16 H20 Cl8 O16 Y2 -","2","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0582","0.0486","","","0.1154","0.1208","","","","","","1.071","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249678","8.7604","0.0005","11.5722","0.0006","13.8453","0.0007","90.302","0.002","97.3","0.002","102.131","0.002","1360.39","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K O15 Tb -","- C16 H14 Cl8 K O15 Tb -","- C32 H28 Cl16 K2 O30 Tb2 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0137","0.0133","","","0.0312","0.0313","","","","","","1.077","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249679","8.1777","0.0011","12.7369","0.0019","13.969","0.002","85.23","0.006","77.92","0.006","87.757","0.006","1417.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K La O15 -","- C16 H14 Cl8 K La O15 -","- C32 H28 Cl16 K2 La2 O30 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0327","0.0298","","","0.0731","0.0739","","","","","","1.074","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249680","11.564","0.0006","18.5537","0.0009","12.165","0.0006","90","","90","","90","","2610.1","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Cl8 O13 Y -","- C16 H11 Cl8 O13 Y -","- C64 H44 Cl32 O52 Y4 -","4","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0338","0.0265","","","0.0506","0.0529","","","","","","0.998","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249681","8.2758","0.0003","13.9934","0.0007","14.3376","0.0006","85.9932","0.0014","77.9272","0.0012","75.6109","0.0013","1572.45","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl8 K La O19 -","- C16 H22 Cl8 K La O19 -","- C32 H44 Cl16 K2 La2 O38 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0471","0.0415","","","0.1196","0.1232","","","","","","1.057","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249682","15.8758","0.0003","13.8581","0.0003","27.1887","0.0006","90","","106.2","0.002","90","","5744.2","0.2","138.15","","138.15","","","","","","","","","4","I 1 2 1","I 2y","5","","L-leucinium D-di-p-toluoyltartrate methanol solvate hydrate","","- C26.36 H33.93 N O11.11 -","- C26.357 H33.928 N O11.107 -","- C210.856 H271.424 N8 O88.856 -","8","2","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0659","0.0618","","","0.1778","0.1832","","","","","","1.048","","","","has coordinates,has disorder","298193","2025-03-04","19:46:32",""
"7249683","27.9114","0.0002","12.8536","0.0001","15.9008","0.0001","90","","106.049","0.001","90","","5482.27","0.07","128.15","","128.15","","","","","","","","","4","C 1 2 1","C 2y","5","","D-leucinium D-di-p-toluoyltartrate semihydrate","","- C52 H64 N2 O21 -","- C52 H64 N2 O21 -","- C208 H256 N8 O84 -","4","1","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0387","0.0385","","","0.1079","0.1081","","","","","","1.05","","","","has coordinates","298193","2025-03-04","19:46:32",""
"7249684","20.3798","0.0006","6.49","0.0002","25.5179","0.0007","90","","107.008","0.002","90","","3227.51","0.17","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 N20 O14 S -","- C16 H34 N20 O14 S -","- C64 H136 N80 O56 S4 -","4","0.5","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","1.54178","CuKα","","0.0476","0.0375","","","0.0988","0.1052","","","","","","1.063","","","","has coordinates","298226","2025-03-04","19:54:54",""
"7249685","7.2046","0.0002","12.8063","0.0003","18.89","0.0005","90","","100.014","0.002","90","","1716.32","0.08","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N13 O7 -","- C10 H13 N13 O7 -","- C40 H52 N52 O28 -","4","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","298226","2025-03-04","19:54:55",""
"7249686","10.205","0.002","10.512","0.002","11.184","0.003","90.85","0.004","94.688","0.004","96.027","0.004","1188.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 N12 O3 -","- C18 H28 N12 O3 -","- C36 H56 N24 O6 -","2","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","0.71073","MoKα","","0.0917","0.0595","","","0.1679","0.1821","","","","","","1.061","","","","has coordinates,has disorder","298226","2025-03-04","19:54:55",""
"7249687","8.5511","0.0003","37.3176","0.0014","16.5685","0.0005","90","","94.354","0.003","90","","5271.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 Cl2 F18 N6 O7 -","- C52 H34 Cl2 F18 N6 O7 -","- C208 H136 Cl8 F72 N24 O28 -","4","1","","Fang, Zong-Bin; Xiao, Yue-Feng; Sun, Chong; Chen, Xinyao; Zhou, Lingyu; Chen, Li; Lu, Qiaomei; Xiao, Wang-Dong; Wu, Shu-Ting","Solubility, crystallization process optimization, and thermal properties of afoxolaner and the single-crystal structure of its hydrate","CrystEngComm","2025","27","6","795","800","10.1039/D4CE00975D","","","1.3405","GaKα","","0.1876","0.1374","","","0.3951","0.4182","","","","","","1.556","","","","has coordinates,has disorder","298201","2025-03-04","19:48:17",""
"7249688","17.3879","0.0003","7.727","0.0001","27.0872","0.0005","90","","94.9551","0.0016","90","","3625.73","0.1","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C200 H136 N16 O8 -","4","0.5","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0396","0.0379","","","0.0998","0.1011","","","","","","1.042","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249689","8.6165","0.0001","16.5014","0.0002","13.323","0.0002","90","","107.227","0.0017","90","","1809.34","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0475","0.0463","","","0.1248","0.1261","","","","","","1.082","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249690","24.309","0.003","17.216","0.002","17.183","0.0019","90","","134.903","0.004","90","","5093.5","1.1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C84 H60 O38 Th6 -","- C84 H60 O38 Th6 -","- C168 H120 O76 Th12 -","2","0.25","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0368","0.0352","","","0.0988","0.0996","","","","","","1.241","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249691","15.805","0.007","24.801","0.017","23.813","0.012","90","","95.628","0.019","90","","9289","9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 O36 Pu6 -","- C84 H60 O36 Pu6 -","- C336 H240 O144 Pu24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0947","0.0554","","","0.1248","0.1426","","","","","","1.074","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249692","15.8168","0.0009","24.7055","0.0012","23.9238","0.0013","90","","95.234","0.002","90","","9309.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87.28 H69.83 O40 U6 -","- C87.276 H69.828 O40 U6 -","- C349.104 H279.312 O160 U24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0542","0.0358","","","0.06","0.0643","","","","","","1.11","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249693","9.6921","0.0008","15.7727","0.0014","12.6377","0.0012","90","","121.623","0.006","90","","1645.1","0.3","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N8 O3 -","- C31 H42 N8 O3 -","- C62 H84 N16 O6 -","2","1","","Martins, Inês C. B.; Belenguer, Ana M.; Lampronti, Giulio I.; Motloch, Petr","Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine : barbiturate co-crystals: from rosette to linear tape polymorphs","CrystEngComm","2025","27","3","307","310","10.1039/D4CE01230E","powder diffraction","XCelerator","1.54175","CuKα","","","","","","","","","1.6006","2.274","","","","","","","has coordinates","298218","2025-03-04","19:51:44",""
"7249699","13.1546","0.0003","12.9738","0.0003","21.2555","0.0005","90","","101.043","0.002","90","","3560.4","0.14","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 Cu I N2 P2 -","- C39 Cu I N2 P2 -","- C156 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.06","0.0421","","","0.0995","0.1068","","","","","","1.2909","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249700","13.6749","0.0005","12.6744","0.0005","21.4637","0.0008","90","","102.349","0.002","90","","3634","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu I N2 P2 -","- C40 H36 Cu I N2 P2 -","- C160 H144 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0851","0.0426","","","0.0817","0.0961","","","","","","1.002","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249701","13.4509","0.0006","12.8405","0.0005","21.9611","0.0009","90","","103.322","0.002","90","","3691","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 P2 -","- C40 H35 Cu I N2 P2 -","- C160 H140 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0448","0.0333","","","0.0793","0.0845","","","","","","1.036","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249702","13.8302","0.0002","12.6013","0.0002","22.4188","0.0003","90","","105.428","0.001","90","","3766.32","0.1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Cu I N2 P2 -","- C41 H38 Cu I N2 P2 -","- C164 H152 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0371","0.0278","","","0.0672","0.0721","","","","","","1.021","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249703","13.6216","0.0006","17.3077","0.0007","18.5961","0.0008","81.85","0.002","77.726","0.002","73.94","0.002","4100.7","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 N4 O28 S4 -","- C78 H100 N4 O28 S4 -","- C156 H200 N8 O56 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54178","CuKα","","0.0802","0.0672","","","0.2231","0.2354","","","","","","1.023","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249704","14.5199","0.0005","18.0137","0.0006","20.551","0.0007","104.206","0.002","98.769","0.002","97.896","0.002","5063.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H68 N4 O12 S4 -","- C79 H68 N4 O12 S4 -","- C158 H136 N8 O24 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.1182","0.0988","","","0.3047","0.3251","","","","","","1.119","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249705","12.6165","0.0005","19.6272","0.0008","21.927","0.001","82.317","0.003","78.76","0.002","86.655","0.002","5274.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","1","0.5","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.2149","0.1727","","","0.4183","0.4484","","","","","","0.913","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249706","13.2402","0.0004","39.0334","0.0013","19.5745","0.0006","90","","106.403","0.003","90","","9704.6","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 N4 O12 S4 -","- C88 H80 N4 O12 S4 -","- C352 H320 N16 O48 S16 -","4","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54184","CuKα","","0.247","0.2048","","","0.4046","0.424","","","","","","1.064","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249716","14.9219","0.0019","8.4923","0.0007","13.0852","0.0017","90","","118.145","0.017","90","","1462.1","0.4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Fe N4 O10 -","- C12 H8 Fe N4 O10 -","- C48 H32 Fe4 N16 O40 -","4","0.5","","Liu, Jingwei; Cheng, Xiaolong; Dang, Shifa; Kong, Weile; Zheng, Mengxian; Zhang, Lei; Wu, Shuangyan; Liu, Ning; Cao, Jinchao","Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities","CrystEngComm","2025","27","5","687","694","10.1039/D4CE01082E","","","0.71073","MoKα","","0.0707","0.0465","","","0.1151","0.1241","","","","","","1.025","","","","has coordinates","298185","2025-03-04","19:42:46",""
"7249717","12.247","0.001","3.044","0.0002","5.8136","0.0005","90","","103.866","0.004","90","","210.41","0.03","273","2","273","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 O6 Te0 -","- Ga4 O6 -","- Ga8 O12 -","2","0.25","","Song, Yufei; Guo, Xiaojie; Mu, Wenxiang; Tao, Xutang; Gao, Zeliang","Top-seeded solution growth and characterization of β-Ga2O3","CrystEngComm","2025","27","6","814","819","10.1039/D4CE00678J","","","0.71073","MoKα","","0.0282","0.0221","","","0.0513","0.0542","","","","","","1.042","","","","has coordinates","298202","2025-03-04","19:48:26",""
"7249718","13.234","0.007","13.892","0.007","16.543","0.009","109.362","0.007","96.339","0.007","102.534","0.007","2746","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39 Cl9 N6 O3 -","- C48 H39 Cl9 N6 O3 -","- C96 H78 Cl18 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2085","0.0918","","","0.2449","0.3105","","","","","","0.984","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249719","9.02","0.02","9.39","0.02","10.71","0.03","84.17","0.03","67.13","0.03","66.09","0.03","762","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Br2 N2 O -","- C16 H14 Br2 N2 O -","- C32 H28 Br4 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1132","0.0444","","","0.0802","0.0999","","","","","","0.879","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249720","33.696","0.007","10.737","0.002","17.724","0.004","90","","115.638","0.003","90","","5781","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl3 N4 O2 -","- C31 H25 Cl3 N4 O2 -","- C248 H200 Cl24 N32 O16 -","8","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1518","0.0592","","","0.1321","0.1697","","","","","","0.998","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249721","12.106","0.006","13.118","0.006","13.961","0.007","76.807","0.006","75.289","0.006","84.733","0.007","2086.5","1.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cl2 N6 O3 -","- C46 H38 Cl2 N6 O3 -","- C92 H76 Cl4 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2213","0.127","","","0.3448","0.4085","","","","","","1.176","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249722","21.7201","0.0011","21.7201","0.0011","4.8629","0.0003","90","","90","","120","","1986.78","0.19","93","","93","","","","","","","","","4","P 32","P 32","145","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C72 H108 Cl9 N9 -","9","3","","Tashiro, Shohei","Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride","CrystEngComm","2025","27","6","729","735","10.1039/D4CE01084A","","x-ray","1.54184","CuKα","","0.0704","0.0526","","","0.1191","0.131","","","","","","0.979","","","","has coordinates","298203","2025-03-04","19:48:34",""
"7249723","13.768","0.0004","8.245","0.0002","13.9478","0.0004","90","","98.53","0.002","90","","1565.8","0.07","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PropranololHCI","","","- C16 H22 Cl N O2 -","- C16 H22 Cl N O2 -","- C64 H88 Cl4 N4 O8 -","4","1","","Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Pisklak, Dariusz Maciej","Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride","CrystEngComm","2025","27","3","433","446","10.1039/D4CE01105H","","","1.54178","CuKα","","0.0408","0.035","","","0.0835","0.0871","","","","","","1.061","","","","has coordinates,has disorder","298223","2025-03-04","19:53:50",""
"7249729","21.4337","0.0018","10.5337","0.0009","12.9683","0.0012","90","","125.723","0.004","90","","2377","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","FluD-MSA(1:1)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0577","0.0359","","","0.0772","0.087","","","","","","1.03","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249730","7.4154","0.0004","7.5301","0.0004","13.6961","0.0007","90","","100.749","0.002","90","","751.35","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-BSA(1:1)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C26 H22 F6 N4 O10 S2 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0294","0.0278","","","0.0692","0.0701","","","","","","1.057","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249731","10.6002","0.0007","10.6466","0.0007","20.3303","0.0019","90","","90.12","","90","","2294.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","FluD-MSA(2:2)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0316","0.0314","","","0.0807","0.0808","","","","","","1.164","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249732","9.8176","0.0006","7.4895","0.0004","17.8098","0.001","90","","94.428","0.003","90","","1305.63","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-PTSA-H2O (1:2:3)","","","- C21 H27 F3 N2 O11 S2 -","- C21 H27 F3 N2 O11 S2 -","- C42 H54 F6 N4 O22 S4 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.1044","0.056","","","0.098","0.1147","","","","","","1.015","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249733","29.2994","0.0002","7.4757","0.0005","14.7336","0.001","90","","90","","90","","3227.2","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-PTSA(2:2)","","","- C14 H13 F3 N2 O5 S -","- C14 H13 F3 N2 O5 S -","- C112 H104 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0429","0.0329","","","0.0679","0.0726","","","","","","1.017","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249734","27.3846","0.0004","7.4463","0.0008","14.8172","0.0017","90","","90","","90","","3021.4","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-BSA(2:2)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C104 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0457","0.0362","","","0.0774","0.0807","","","","","","1.059","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249735","12.9132","0.0014","10.6737","0.0011","18.342","0.002","90","","92.616","0.005","90","","2525.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Flu.D-ESA(2:2)","","","- C9 H11 F3 N2 O5 S -","- C9 H11 F3 N2 O5 S -","- C72 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0981","0.0438","","","0.098","0.1216","","","","","","1.014","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249736","7.4616","0.0017","21.345","0.004","27.575","0.006","94.444","0.005","93.278","0.006","94.635","0.006","4355.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Flu.D-BSA(6:6)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C156 H132 F36 N24 O60 S12 -","12","6","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.096","0.0444","","","0.0943","0.1167","","","","","","1.019","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249737","28.2765","0.0006","17.2824","0.0003","27.3501","0.0004","90","","99.8503","0.0018","90","","13168.6","0.4","151","12","151","12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cd2 F4 N6 O8 -","- C43 H20 Cd2 F4 N6 O8 -","- C344 H160 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0455","0.0427","","","0.1307","0.1326","","","","","","1.076","","","","has coordinates","298178","2025-03-04","19:40:20",""
"7249738","7.0976","0.0004","9.1098","0.0005","11.0003","0.0006","86.013","0.002","84.06","0.002","82.39","0.002","700.08","0.07","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","(BAPPz)Cd2Br8.2H2O","","- C5 H16 Br4 Cd N2 O -","- C5 H16 Br4 Cd N2 O -","- C10 H32 Br8 Cd2 N4 O2 -","2","1","","Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei","Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes","CrystEngComm","2025","27","7","939","947","10.1039/D4CE01174K","","","0.71073","MoKα","","0.0347","0.0299","","","0.073","0.0751","","","","","","1.078","","","","has coordinates,has disorder","298208","2025-03-04","19:49:28",""
"7249749","10.7304","0.0009","11.1991","0.0009","12.3605","0.0008","93.057","0.006","96.405","0.006","99.535","0.007","1451.8","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 F3 N7 O4 -","- C26 H28 Cl2 F3 N7 O4 -","- C52 H56 Cl4 F6 N14 O8 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0837","0.0669","","","0.182","0.2045","","","","","","1.0501","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249750","12.8844","0.0005","13.7991","0.0008","14.5572","0.0004","105.074","0.004","91.002","0.003","99.969","0.004","2456.06","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl4 N6 O2 -","- C23 H18 Cl4 N6 O2 -","- C92 H72 Cl16 N24 O8 -","4","2","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.1084","0.0935","","","0.2357","0.2462","","","","","","1.049","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249751","8.9451","0.0009","10.4421","0.0009","15.1087","0.0013","75.104","0.007","73.77","0.008","75.903","0.008","1286.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N6 O3 -","- C26 H28 Cl2 N6 O3 -","- C52 H56 Cl4 N12 O6 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0956","0.0745","","","0.2117","0.2345","","","","","","1.0663","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249752","9.2015","0.0009","11.6771","0.0007","14.8897","0.001","73.59","0.006","76.902","0.007","88.509","0.006","1493.5","0.2","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl2 F3 N6 O2 -","- C23 H17 Cl2 F3 N6 O2 -","- C46 H34 Cl4 F6 N12 O4 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","0.71073","MoKα","","0.0878","0.072","","","0.1978","0.2132","","","","","","1.0409","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249753","6.24","0.0012","10.62","0.002","12.07","0.002","86.29","0.03","82.15","0.03","83.83","0.03","786.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","ethyl 3-benzoyl-7-methoxyindolizine-1-carboxylate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0428","0.0423","","","0.1142","0.1148","","","","","","1.03","","","","has coordinates","298869","2025-04-05","02:43:18",""
"7249754","9.93","0.002","7.67","0.0015","21.32","0.004","90","","92.52","0.03","90","","1622.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0361","0.0359","","","0.101","0.1012","","","","","","1.047","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249755","9.55","0.0019","11.38","0.002","11.47","0.002","95.07","0.03","112.65","0.03","113.02","0.03","1016","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Indolizine","diethyl 3-(4-chlorobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H20 Cl N O6 -","- C22 H20 Cl N O6 -","- C44 H40 Cl2 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0336","0.0335","","","0.0919","0.092","","","","","","1.031","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249756","7.31","0.0015","8.96","0.0018","15.57","0.003","95.17","0.03","101.92","0.03","104.05","0.03","957.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 3-benzoyl-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0368","0.0385","","","0.0998","0.1005","","","","","","1","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249757","24.539","0.005","4.481","0.0009","16.013","0.003","90","","97.34","0.03","90","","1746.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-2-methyl-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0497","0.0429","","","0.1191","0.1259","","","","","","1.002","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249758","9.58","0.0019","11.38","0.002","11.39","0.002","95.15","0.03","113.08","0.03","112.31","0.03","1014.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C46 H46 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0379","0.0374","","","0.1028","0.1033","","","","","","1.039","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249759","11.833","0.002","17.576","0.004","19.87","0.004","90","","100.91","0.03","90","","4057.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Indolizine","diethyl 7-methoxy-3-(4-nitrobenzoyl)indolizine-1,2-dicarboxylate","","- C22 H20 N2 O8 -","- C22 H20 N2 O8 -","- C176 H160 N16 O64 -","8","2","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0628","0.047","","","0.1189","0.129","","","","","","1.037","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249760","12.6512","0.0005","16.6417","0.0006","27.8412","0.001","93.091","0.003","93.967","0.003","111.555","0.003","5418.7","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","3-Dy","","- C79 H47 Dy3 F54 N8 O22 -","- C79 H47 Dy3 F54 N8 O22 -","- C158 H94 Dy6 F108 N16 O44 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.1011","0.086","","","0.2212","0.2318","","","","","","1.054","","","","has coordinates","298182","2025-03-04","19:41:33",""
"7249761","13.3629","0.0004","17.106","0.0005","20.6415","0.0006","83.05","0.003","85.811","0.003","78.097","0.003","4577.4","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","1-Gd","","- C64 H44 F36 Gd2 N8 O16 -","- C64 H44 F36 Gd2 N8 O16 -","- C128 H88 F72 Gd4 N16 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.0798","0.0506","","","0.1216","0.138","","","","","","1.037","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249762","13.3092","0.0005","17.089","0.0009","20.6746","0.0009","83.017","0.004","85.211","0.003","78.285","0.004","4561.8","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","2-Nd","","- C64 H44 F36 N8 Nd2 O16 -","- C64 H44 F36 N8 Nd2 O16 -","- C128 H88 F72 N16 Nd4 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","x-ray","0.71073","MoKα","","0.1015","0.0844","","","0.2313","0.2495","","","","","","1.035","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249764","8.1663","0.0003","10.5584","0.0003","12.5335","0.0004","100.815","0.0012","91.1157","0.0013","111.431","0.0012","983.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0229","0.0202","","","0.0506","0.0522","","","","","","1.058","","","","has coordinates","298204","2025-03-04","19:48:45",""
"7249765","9.7403","0.0005","10.6942","0.0005","10.9139","0.0005","90","","96.3201","0.0019","90","","1129.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O14 U2 -","- C18 H16 N2 O14 U2 -","- C36 H32 N4 O28 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0194","0.0191","","","0.0469","0.0472","","","","","","1.126","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249766","8.7832","0.0004","9.7665","0.0005","11.6623","0.0006","76.391","0.002","83.846","0.002","81.044","0.002","957.87","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0467","0.0457","","","0.1179","0.1185","","","","","","1.231","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249767","11.235","0.0004","13.3313","0.0005","14.3587","0.0005","90","","109.338","0.0016","90","","2029.27","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O17 U2 -","- C38 H36 N2 O17 U2 -","- C76 H72 N4 O34 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0323","0.0321","","","0.0745","0.0746","","","","","","1.349","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249768","8.4515","0.0003","10.5811","0.0004","10.585","0.0003","75.8824","0.0011","72.1083","0.0012","75.7896","0.0014","858.55","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0219","0.0206","","","0.051","0.0521","","","","","","1.114","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249769","8.8565","0.0002","9.0719","0.0003","11.6001","0.0003","73.5981","0.0009","86.2684","0.0009","68.7753","0.0009","832.72","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.02","0.0175","","","0.0419","0.0426","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249770","8.3083","0.0003","9.7524","0.0003","13.3763","0.0005","99.2243","0.0017","100.684","0.0018","108.614","0.0016","980.89","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0234","0.0223","","","0.0565","0.0574","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249774","14.1331","0.0001","8.8013","0.0001","21.0334","0.0001","90","","105.146","0.0006","90","","2525.45","0.04","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F N3 O5 -","- C28 H25 Br F N3 O5 -","- C112 H100 Br4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0344","0.0342","","0.09","0.0899","0.09","","","","","","1.0322","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249775","8.4541","0.0001","18.1835","0.0004","41.4054","0.0006","90","","90","","90","","6365.05","0.18","140","","140","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29 F N4 O8 S -","- C35 H29 F N4 O8 S -","- C280 H232 F8 N32 O64 S8 -","8","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0431","0.0376","","0.0985","0.0945","0.0985","","","","","","1.0167","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249776","8.2418","0.0002","15.0392","0.0003","19.989","0.0004","90","","91.61","0.0018","90","","2476.66","0.09","95","0.2","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl F N3 O5 -","- C28 H25 Cl F N3 O5 -","- C112 H100 Cl4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","x-ray","1.54184","CuKα","","0.0376","0.033","","","0.0923","0.0951","","","","1.7055","1.7055","1.6408","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249777","15.3531","0.0004","11.7391","0.0003","18.1384","0.0005","90","","109.297","0.001","90","","3085.45","0.14","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Mn4 Na8 O68 W12 -","- H16 Mn4 Na8 O68 W12 -","- H32 Mn8 Na16 O136 W24 -","2","0.5","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0536","0.0474","","","0.1268","0.1317","","","","","","1.056","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249778","13.7848","0.0005","20.9048","0.0007","26.7438","0.0009","90","","97.288","0.001","90","","7644.5","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0.02 H0.02 Cu N0.02 O W -","- C4.09756 H6.43902 Cu0.0174634 N1.17073 O4.19512 W1.17073 -","- C168 H264 Cu0.716 N48 O172 W48 -","41","10.25","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0816","0.0651","","","0.1874","0.2059","","","","","","1.048","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249779","7.0255","0.0008","13.8315","0.0014","14.2849","0.0015","90","","99.029","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl Cu N2 O6 -","- C12 H12 Cl Cu N2 O6 -","- C48 H48 Cl4 Cu4 N8 O24 -","4","0.5","","Atta, Sawaira; Siddique, Amna; Qasim, Muhammad Naveed; AlDamen, Murad A.; Sheikh, Tahir Ali; Sadullayevich, Normamatov Adkhamjon; Ibragimov, Aziz B.; Akhtar, Muhammad Nadeem","Perchlorate-supported Cu(ii)-based 1D polymeric chains containing 1,10-phenanthroline: synthesis, characterization and adsorption of organic dyes and heavy metal ions","CrystEngComm","2025","27","9","1346","1362","10.1039/D4CE01126K","","x-ray","1.54184","CuKα","","0.067","0.0607","","","0.1693","0.1791","","","","","","1.137","","","","has coordinates","298213","2025-03-04","19:50:56",""
"7249780","6.5124","0.0003","6.7635","0.0002","13.9013","0.0005","81.841","0.003","81.532","0.003","63.93","0.004","541.95","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","1","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0225","0.0214","","","0.0559","0.0564","","","","","","1.057","","","","has coordinates","298200","2025-03-04","19:48:04",""
"7249781","8.0157","0.0001","8.5707","0.0001","11.0442","0.0001","110.316","0.001","106.348","0.001","95.818","0.001","665.851","0.015","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 S4 -","- C8 H8 N6 S4 -","- C16 H16 N12 S8 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0336","0.0302","","","0.0855","0.0886","","","","","","1.051","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249782","4.4955","0.0001","16.5288","0.0003","14.9573","0.0003","90","","96.579","0.002","90","","1104.09","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N5 O S3 -","- C7 H7 N5 O S3 -","- C28 H28 N20 O4 S12 -","4","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","0.71073","MoKα","","0.0313","0.0254","","","0.0629","0.0646","","","","","","1.108","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249783","19.96872","0.00014","5.45162","0.00003","23.70011","0.00017","90","","111.753","0.0008","90","","2396.31","0.03","293","2","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N10 S8 -","- C14 H12 N10 S8 -","- C56 H48 N40 S32 -","4","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0238","0.0226","","","0.062","0.0628","","","","","","1.071","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249787","13.86","0.004","4.3787","0.0012","35.14","0.009","90","","93.77","0.004","90","","2128","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pb-btdb","","","- C23 H17 N3 O5 Pb S -","- C23 H17 N3 O5 Pb S -","- C92 H68 N12 O20 Pb4 S4 -","4","1","","Zhang, Hangchuan; Guo, Jingpeng; Liu, Lin; Yu, Zhan; Wei, Na","Thiadiazole-functionalized Pb(ii)-MOF for “turn-on” fluorescence selective sensing of Al3+","CrystEngComm","2025","27","7","956","963","10.1039/D4CE01233J","","","0.71073","MoKα","","0.0466","0.0316","","","0.0616","0.0658","","","","","","1.029","","","","has coordinates","298207","2025-03-04","19:49:21",""
"7249802","8.705","0.0002","10.4508","0.0003","12.106","0.0003","107.888","0.001","103.691","0.001","104.046","0.001","957.24","0.04","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 In2 N3 O14.5 P2 -","- C9 H13 In2 N3 O14.5 P2 -","- C18 H26 In4 N6 O29 P4 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","x-ray","0.71073","MoKα","","0.0316","0.0226","","","0.0482","0.0508","","","","","","1.058","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249803","8.397","0.0002","23.4886","0.0008","9.9675","0.0003","90","","108.292","0.001","90","","1866.59","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H28 In4 N6 O30 P6 -","- C16 H28 In4 N6 O30 P6 -","- C32 H56 In8 N12 O60 P12 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","","0.71073","MoKα","","0.0416","0.0321","","","0.0695","0.0732","","","","","","1.052","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249804","21.6779","0.0008","21.6779","0.0008","12.6682","0.0005","90","","90","","120","","5155.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H14 Mn2 N8 O4 -","- C18 H14 Mn2 N8 O4 -","- C162 H126 Mn18 N72 O36 -","9","0.5","","Liu, Han-Fu; Hu, Zhi-Rong; Wu, Tai-Xue; Hao, Hong-Mei; Li, Hai-Ye; Huang, Fu-Ping","A 3D rigid Mn-MOF heterogeneous catalyst for thioether oxidation, cyanosilylation and Knoevenagel condensation","CrystEngComm","2025","27","9","1307","1314","10.1039/D4CE01075B","","x-ray","0.71073","MoKα","","0.0769","0.0502","","","0.1178","0.1325","","","","","","1.064","","","","has coordinates","298214","2025-03-04","19:51:07",""
"7249805","8.9753","0.0002","10.8907","0.0002","20.9485","0.0004","85.702","0.002","80.124","0.002","85.417","0.002","2006.95","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 Fe N6 O9 -","- C42 H26 Cl3.989 Fe N6 O9 -","- C84 H52 Cl7.978 Fe2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0673","0.0524","","","0.1346","0.1418","","","","","","1.096","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249806","8.9669","0.0002","10.9875","0.0002","20.9096","0.0004","85.627","0.001","80.052","0.002","85.213","0.002","2018.03","0.07","292.6","0.3","292.6","0.3","","","","","","","","6","P -1","-P 1","2","","[Co(C15N3H11)2](C6O4H2Cl2)0.5(C6O4HCl2)(C6O4Cl2)0.5(H2O)","","- C42 H26 Cl4 Co N6 O9 -","- C42 H26 Cl4 Co N6 O9 -","- C84 H52 Cl8 Co2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0715","0.0516","","","0.1255","0.1346","","","","","","1.032","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249807","9.0426","0.0002","9.0675","0.0003","22.4477","0.0006","92.511","0.002","96.2","0.002","90.655","0.002","1827.81","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl1.99 N6 Ni O10.01 -","- C36 H34 Cl1.985 N6 Ni O10 -","- C72 H68 Cl3.97 N12 Ni2 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0847","0.0546","","","0.1088","0.1185","","","","","","1.046","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249808","8.9581","0.0003","11.035","0.0003","20.9833","0.0005","85.086","0.002","80.136","0.002","85.18","0.002","2030.99","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 N6 Ni O9 -","- C42 H26 Cl4 N6 Ni O9 -","- C84 H52 Cl8 N12 Ni2 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0557","0.0432","","","0.1013","0.1071","","","","","","1.017","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249809","9.018","0.0002","9.0232","0.0001","22.2494","0.0003","91.685","0.001","95.684","0.001","90.432","0.002","1800.68","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N6 O10 -","- C36 H34 Cl2 Fe N6 O10 -","- C72 H68 Cl4 Fe2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0731","0.046","","","0.0945","0.1025","","","","","","1.019","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249810","9.03554","0.00012","9.0471","0.00013","22.3304","0.0003","92.077","0.0012","95.9851","0.0011","90.5673","0.0011","1814.09","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Co N6 O10 -","- C36 H34 Cl2 Co N6 O10 -","- C72 H68 Cl4 Co2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0598","0.0421","","","0.0872","0.0929","","","","","","1.031","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249819","11.2667","0.0005","9.0284","0.0004","9.272","0.0004","90","","107.83","0.002","90","","897.85","0.07","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O4 Zn -","- C9 H8 O4 Zn -","- C36 H32 O16 Zn4 -","4","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0561","0.0443","","","0.1235","0.1313","","","","","","0.935","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249820","8.7725","0.0006","23.311","0.002","8.6198","0.0006","90","","90","","90","","1762.7","0.2","299","2","299","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C9 H8 O4 Pb -","- C9 H8 O4 Pb -","- C72 H64 O32 Pb8 -","8","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0452","0.031","","","0.0715","0.0768","","","","","","0.942","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249826","9.4465","0.0003","10.7769","0.0003","15.2702","0.0004","106.856","0.002","93.852","0.002","96.451","0.002","1470.2","0.08","169.99","0.1","170.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0368","0.034","","","0.0918","0.0934","","","","","","1.043","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249827","7.916","0.0002","12.5833","0.0003","15.4115","0.0003","108.216","0.002","94.54","0.002","103.045","0.002","1401.85","0.06","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H66 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0568","0.051","","","0.1372","0.1429","","","","","","1.078","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249828","8.4824","0.0002","13.3673","0.0002","14.0305","0.0002","84.26","0.001","73.105","0.002","71.519","0.002","1443.65","0.05","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0328","0.0316","","","0.0902","0.0909","","","","","","1.075","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249829","27.0622","0.0003","7.3624","0.0001","33.9652","0.0004","90","","92.844","0.001","90","","6758.98","0.14","169.98","0.1","170.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H34 Co2 Mo4 N8 O27 -","- C8 H28 Co2 Mo4 N8 O27 -","- C64 H224 Co16 Mo32 N64 O216 -","8","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0582","0.0468","","","0.122","0.1295","","","","","","1.038","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249830","9.9976","0.0001","20.6814","0.0003","13.4605","0.0002","90","","95.055","0.001","90","","2772.33","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H64 Co4 Mo8 N16 O50 -","- C8 H64 Co4 Mo8 N16 O50 -","- C16 H128 Co8 Mo16 N32 O100 -","2","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0575","0.0539","","","0.151","0.1542","","","","","","1.056","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249831","11.5178","0.0003","12.416","0.0003","12.619","0.0002","89.529","0.002","65.036","0.002","70.299","0.002","1521.1","0.07","169.98","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H76 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0382","0.036","","","0.0951","0.0967","","","","","","1.031","","","","has coordinates,has disorder","298180","2025-03-04","19:40:55",""
"7249832","11.7837","0.0003","12.5652","0.0002","20.6823","0.0004","91.864","0.001","101.574","0.002","99.735","0.002","2949.84","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H124 Co8 Mo16 N32 O98 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0598","0.0541","","","0.1481","0.1527","","","","","","1.03","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249833","12.1225","0.0002","13.4878","0.0002","14.4274","0.0002","92.943","0.001","97.909","0.001","91.012","0.001","2332.71","0.06","169.99","0.1","169.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C12 H48 Co2 Mo4 N12 Na6 O90 V14 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0792","0.0751","","","0.217","0.2225","","","","","","1.058","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249834","13.2251","0.0003","15.9667","0.0003","16.2567","0.0005","86.364","0.002","81.442","0.002","88.936","0.002","3387.58","0.15","170","0.11","170","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C12 H84 Co6 Mo16 N24 Na4 O123.04 V10 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.1045","0.0951","","","0.2536","0.2638","","","","","","1.048","","","","has coordinates,has disorder","298180","2025-03-04","19:40:56",""
"7249835","8.115","0.0008","9.1085","0.0009","14.5497","0.0014","74.156","0.003","88.19","0.003","72.032","0.003","982.5","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C40 H40 N8 O16 -","8","4","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0837","0.0647","","","0.1826","0.1951","","","","","","1.042","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249836","7.1215","0.0006","13.7391","0.0012","21.469","0.0019","76.347","0.003","85.043","0.003","87.487","0.003","2033","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N6 O12 -","- C40 H42 N6 O12 -","- C80 H84 N12 O24 -","2","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0964","0.0847","","","0.2458","0.2587","","","","","","1.054","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249837","16.904","0.005","6.4769","0.0017","17.825","0.005","90","","101.367","0.008","90","","1913.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.1333","0.0835","","","0.2188","0.2499","","","","","","1.07","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249838","12.1844","0.0003","15.7973","0.0005","18.7868","0.0008","67.618","0.003","81.84","0.003","83.948","0.002","3304.6","0.2","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 N Ni O P2 S2 -","- C36 H31 N Ni O P2 S2 -","- C144 H124 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0479","0.0385","","","0.096","0.1017","","","","","","1.032","","","","has coordinates","298228","2025-03-04","19:56:19",""
"7249839","14.8719","0.0004","15.3304","0.0004","16.0822","0.0006","77.953","0.002","82.524","0.003","75.348","0.002","3457.65","0.19","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C145.2 H126.4 Cl2.4 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0621","0.0505","","","0.1331","0.1425","","","","","","1.059","","","","has coordinates,has disorder","298228","2025-03-04","19:56:20",""
"7249840","15.187","0.0004","15.6264","0.0006","15.9554","0.0005","76.974","0.003","89.738","0.002","81.37","0.003","3645.6","0.2","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H32 Cl3 N Ni O P2 S2 -","- C37 H32 Cl3 N Ni O P2 S2 -","- C148 H128 Cl12 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0677","0.0547","","","0.1387","0.1474","","","","","","1.053","","","","has coordinates,has disorder","298228","2025-03-04","19:56:21",""
"7249841","23.119","0.002","15.1711","0.0012","16.9715","0.0015","90","","90","","90","","5952.6","0.9","296.15","","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cu2 I3 N4 S4 -","- C24 H16 Cu2 I3 N4 S4 -","- C192 H128 Cu16 I24 N32 S32 -","8","1","","Li, Huifang; Gao, Yiqun; Lin, Xi; Li, Ke; Lin, Xiaoli; Li, Haohong; Zheng, Huidong","Ternary resistive switching memory of copper–organic complex/iodocuprate/sulfur hybrid enabled by π–π interactions and S8 relaxation","CrystEngComm","2025","27","10","1439","1445","10.1039/D4CE01147C","","","0.71073","MoKα","","0.0681","0.0443","","","0.1565","0.198","","","","","","0.677","","","","has coordinates","298229","2025-03-04","19:56:34",""
"7249842","12.0459","0.0009","16.7225","0.0013","20.5508","0.0015","111.534","0.002","91.936","0.002","102.731","0.002","3726","0.5","192.8","","192.8","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 Gd N8 O16 -","- C59 H47 Cu F30 Gd N8 O16 -","- C118 H94 Cu2 F60 Gd2 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.0949","0.0653","","","0.1549","0.1779","","","","","","1.04","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249843","12.0447","0.0007","16.704","0.001","20.5482","0.0013","111.44","0.003","92.035","0.004","102.735","0.004","3722.6","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu Dy F30 N8 O16 -","- C59 H47 Cu Dy F30 N8 O16 -","- C118 H94 Cu2 Dy2 F60 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","1.54184","CuKα","","0.117","0.1011","","","0.2526","0.2738","","","","","","1.071","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249844","11.996","0.0006","16.6031","0.0007","20.3772","0.001","110.962","0.004","92.013","0.004","102.791","0.004","3666.6","0.3","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 N8 O16 Tb -","- C59 H47 Cu F30 N8 O16 Tb -","- C118 H94 Cu2 F60 N16 O32 Tb2 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.1262","0.1082","","","0.2632","0.2758","","","","","","1.105","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249850","4.8019","0.0006","8.3731","0.0009","9.5127","0.0015","76.71","0.02","80.38","0.02","86.6","0.02","366.91","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0275","0.0272","","","0.0743","0.0747","","","","","","1.062","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249851","4.7963","0.0008","8.247","0.003","9.04","0.003","70.65","0.02","86.7","0.03","84.89","0.02","335.89","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1183","0.098","","","0.2717","0.2852","","","","","","1.166","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249852","8.338","0.002","31.318","0.007","4.8912","0.001","90","","90","","90","","1277.2","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C36 H56 N12 O32 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1215","0.1197","","","0.3168","0.3178","","","","","","1.102","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249853","8.4629","0.0016","35.212","0.007","4.8658","0.0008","90","","90","","90","","1450","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C36 H68 N12 O38 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0434","0.0422","","","0.1024","0.1029","","","","","","1.094","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249854","4.7896","0.0008","8.1312","0.0014","8.4477","0.0012","76.85","0.02","79.75","0.02","83.99","0.02","314.55","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0493","0.0485","","","0.1358","0.1371","","","","","","1.1","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249855","4.843","0.004","8.646","0.008","15.726","0.002","90","","93.68","0.01","90","","657.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C18 H28 N6 O16 P2 -","2","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","0.0251","transmissionelectronmicroscope","","0.1547","0.1322","","","0.3358","0.3497","","","","","","1.146","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249856","8.367","0.002","34.158","0.007","4.8236","0.0009","90","","90","","90","","1378.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C36 H64 N12 O36 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.076","0.0748","","","0.2101","0.2112","","","","","","1.118","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249857","4.7974","0.0008","8.2932","0.001","16.861","0.003","101.48","0.02","92.04","0.02","95.55","0.02","653.29","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N3 O8.5 P -","- C9 H15 N3 O8.5 P -","- C18 H30 N6 O17 P2 -","2","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0807","0.0743","","","0.2016","0.2059","","","","","","1.063","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249858","8.422","0.0014","35.163","0.006","9.693","0.002","90","","90","","90","","2870.5","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C72 H136 N24 O76 P8 -","8","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0501","0.0464","","","0.1433","0.1457","","","","","","1.15","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249862","12.003","0.002","11.347","0.002","10.802","0.002","90","","101.75","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.08","0.0522","","","0.1343","0.1503","","","","","","1.047","","","","has coordinates","298172","2025-03-04","19:37:59",""
"7249863","12.004","0.002","11.352","0.002","10.797","0.002","90","","101.7","0.03","90","","1440.7","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0592","0.0462","","","0.1213","0.1303","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249864","12.008","0.002","11.352","0.002","10.791","0.002","90","","101.7","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.054","0.0441","","","0.1151","0.1215","","","","","","1.066","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249865","12.012","0.002","11.349","0.002","10.792","0.002","90","","101.68","0.03","90","","1440.7","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0624","0.0509","","","0.1298","0.137","","","","","","1.071","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249866","12.075","0.002","11.371","0.002","10.787","0.002","90","","101.73","0.03","90","","1450.2","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0831","0.0656","","","0.1714","0.1841","","","","","","1.058","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249867","12.005","0.002","11.349","0.002","10.792","0.002","90","","101.71","0.03","90","","1439.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0518","0.0447","","","0.1185","0.1243","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249868","12.006","0.002","11.351","0.002","10.793","0.002","90","","101.67","0.03","90","","1440.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.075","0.0518","","","0.1375","0.1496","","","","","","1.083","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249869","28.644","0.006","7.1941","0.0014","23.764","0.005","90","","113.655","0.004","90","","4485.5","1.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cu O5 en lv so t -","- C27 H18 Cu O5 -","- C216 H144 Cu8 O40 -","8","1","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.071","0.0619","","","0.1446","0.1529","","","","","","1.101","","","","has coordinates","298183","2025-03-04","19:41:59",""
"7249870","23.673","0.004","18.677","0.004","17.763","0.004","90","","90","","90","","7854","3","173","2","173","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C27 H18 O5 Zn en lv so t -","- C27 H18 O5 Zn -","- C216 H144 O40 Zn8 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.1622","0.0932","","","0.261","0.301","","","","","","1.021","","","","has coordinates","298183","2025-03-04","19:42:01",""
"7249871","25.5168","0.0006","25.5168","0.0006","20.8378","0.0007","90","","90","","120","","11749.9","0.6","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C180 H142 N6 O32 Zn7 -","- C180 H138 N6 O32 Zn7.0002 -","- C540 H414 N18 O96 Zn21.0006 -","3","0.166667","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0767","0.0544","","","0.1401","0.1588","","","","","","1.019","","","","has coordinates","298183","2025-03-04","19:42:10",""
"7249872","23.4998","0.0008","18.6597","0.0006","17.5655","0.0006","90","","90","","90","","7702.5","0.4","120","2","120","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C30 H23 Cu N O5 en lv so t -","- C30 H23 Cu N O5 -","- C240 H184 Cu8 N8 O40 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0631","0.0464","","","0.1285","0.14","","","","","","1.046","","","","has coordinates,has disorder","298183","2025-03-04","19:42:10",""
"7249873","33.209","0.002","33.209","0.002","8.3584","0.0009","90","","90","","120","","7983","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H15 Cd N O6 -","- C19 H15 Cd N O6 -","- C342 H270 Cd18 N18 O108 -","18","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1223","0.0631","","","0.1022","0.126","","","","","","1.002","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249874","12.5813","0.0012","9.8659","0.0012","14.7378","0.0013","90","","90","","90","","1829.3","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0895","0.0532","","","0.1205","0.1413","","","","","","0.999","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249875","16.1979","0.0007","22.8193","0.0008","11.8386","0.0005","90","","100.545","0.004","90","","4301.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","2","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1018","0.0593","","","0.1449","0.177","","","","","","1.016","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249876","12.1419","0.0011","8.5142","0.0007","16.4832","0.001","90","","96.129","0.007","90","","1694.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N2 O10 -","- C36 H32 Cd N2 O10 -","- C72 H64 Cd2 N4 O20 -","2","0.5","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0586","0.0422","","","0.0993","0.109","","","","","","1.079","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249877","17.4412","0.0005","14.5878","0.0004","17.9857","0.0005","90","","107.952","0.003","90","","4353.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cd N2 O10 -","- C50 H44 Cd N2 O10 -","- C200 H176 Cd4 N8 O40 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0658","0.0446","","","0.0881","0.0956","","","","","","1.021","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249878","16.4124","0.0011","17.2304","0.0015","28.2016","0.0019","90","","92.706","0.006","90","","7966.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H79 Cd2 N5 O17 -","- C83 H79 Cd2 N5 O17 -","- C332 H316 Cd8 N20 O68 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1124","0.0713","","","0.1607","0.1865","","","","","","1.025","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249879","16.6697","0.0003","14.6638","0.0003","19.3585","0.0004","90","","97.241","0.002","90","","4694.27","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Br2 Co2 N4 O11 -","- C44 H38 Br2 Co2 N4 O11 -","- C176 H152 Br8 Co8 N16 O44 -","4","0.5","","Chen, Xiang-Yu; Hu, Zi-Ang; Qu, Yan; Ning, Ru-Jin; Tao, Wen-Da; He, Shou-Qin; Liu, Zhi-Fu; Shen, Yong-Hui; Qin, Ling","The optimization of hydrogen evolution performance by removing guest molecules in Co-MOF","CrystEngComm","2025","27","11","1591","1598","10.1039/D5CE00014A","","","1.54178","CuKα","","0.0806","0.0619","","","0.1653","0.182","","","","","","0.847","","","","has coordinates","298859","2025-04-05","02:40:33",""
"7249882","26.8681","0.0004","9.3502","0.0002","33.4362","0.0005","90","","96.671","0.001","90","","8343","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Br2 O4 -","- C21 H20 Br2 O4 -","- C336 H320 Br32 O64 -","16","2","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0618","0.055","","","0.1427","0.1539","","","","","","1.058","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249883","11.4955","0.0003","12.1086","0.0003","12.9827","0.0003","110.33","0.002","91.122","0.002","104.67","0.002","1627.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0514","0.049","","","0.1352","0.1385","","","","","","1.013","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249884","12.071","0.006","10.485","0.005","12.181","0.006","90","","118.789","0.009","90","","1351.1","1.2","297.15","","297.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H26 N4 O4 -","- C33 H26 N4 O4 -","- C66 H52 N8 O8 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.1149","0.0622","","","0.1269","0.1511","","","","","","1.012","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249885","11.2015","0.0015","11.4714","0.0016","12.5314","0.0017","72.283","0.002","76.741","0.002","65.449","0.002","1385.3","0.3","297","2","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O5 Pb -","- C33 H26 N4 O5 Pb -","- C66 H52 N8 O10 Pb2 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.0606","0.0387","","","0.0757","0.0829","","","","","","1.025","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249891","10.2178","0.0002","10.2178","0.0002","13.0003","0.0004","90","","90","","120","","1175.44","0.05","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0318","0.0277","","","0.0607","0.0631","","","","","","1.078","","","","has coordinates","298216","2025-03-04","19:51:25",""
"7249892","12.9267","0.0011","12.7298","0.0011","9.3576","0.0008","90","","90.901","0.002","90","","1539.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C68 H80 N8 S4 -","4","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0336","0.0328","","","0.0828","0.0836","","","","","","1.071","","","","has coordinates","298216","2025-03-04","19:51:26",""
"7249893","18.5963","0.0005","18.5963","0.0005","5.7039","0.0002","90","","90","","120","","1708.27","0.09","278","2","278","2","","","","","","","","3","P 65","P 65","170","","","","- C14 H11 N -","- C14 H11 N -","- C84 H66 N6 -","6","1","","Cabrera, Alexa; Safari, Fatemah; Kumar, Ravhi; Zhu, Haoran; Ahart, Muhtar; Liu, Zhenxian; Driver, Tom G.; Hemley, Russell J.","Synthesis, structure, and stability of a novel 2H-azirine under pressure","CrystEngComm","2025","27","9","1248","1255","10.1039/D4CE00937A","","","1.54184","CuKα","","0.0777","0.0582","","","0.197","0.2165","","","","","","1.142","","","","has coordinates","298215","2025-03-04","19:51:15",""
"7249894","9.0094","0.0004","7.6502","0.0004","5.0908","0.0002","90","","97.673","0.004","90","","347.74","0.03","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,4-dichlorotetrafluorobenzene","","- C6 Cl2 F4 -","- C6 Cl2 F4 -","- C12 Cl4 F8 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0596","0.0596","","","","","","1.168","","","","has coordinates","298230","2025-03-04","19:56:49",""
"7249895","9.0176","0.0003","7.6579","0.0003","9.4977","0.0004","90","","96.562","0.003","90","","651.58","0.04","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C24 Cl4 F20 -","4","0.5","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0357","0.0343","","","0.0934","0.0944","","","","","","1.083","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249896","9.1116","0.0006","7.7713","0.0006","4.8027","0.0004","90","","95.977","0.007","90","","338.23","0.04","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C12 Cl2 F10 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0725","0.0694","","","0.1861","0.1889","","","","","","1.084","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249917","14.361","0.002","13.865","0.002","16.142","0.003","90","","94.825","0.005","90","","3202.7","0.9","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 Cl5 Cu N3 O5 -","- C25 H48 Cl5 Cu N3 O5 -","- C100 H192 Cl20 Cu4 N12 O20 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0454","0.0372","","","0.0959","0.1028","","","","","","1.032","","","","has coordinates","298872","2025-04-05","02:44:04",""
"7249918","11.0149","0.0007","19.8174","0.0013","15.8532","0.001","90","","106.045","0.002","90","","3325.7","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd Cl5 N3 O4 -","- C24 H43.33 Cd Cl5 N3 O4.077 -","- C96 H173.32 Cd4 Cl20 N12 O16.308 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0649","0.0489","","","0.1268","0.1387","","","","","","1.04","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249919","10.9164","0.0004","19.7454","0.0008","15.8657","0.0006","90","","106.713","0.001","90","","3275.4","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cl5 N3 O4 Zn -","- C24 H43.45 Cl5 N3 O4.059 Zn -","- C96 H173.8 Cl20 N12 O16.236 Zn4 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0852","0.0548","","","0.1385","0.158","","","","","","1.022","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249920","15.4735","0.0004","13.207","0.0004","14.6062","0.0003","90","","90","","90","","2984.9","0.13","119.99","0.1","120","","","","","","","","","7","P n a 21","P 2c -2n","33","ZRFSIX-21-Cu-Alpha","","","- C22 H35 Cu F6 N7 O5 Zr -","- C22 H35 Cu F6 N7 O5 Zr -","- C88 H140 Cu4 F24 N28 O20 Zr4 -","4","1","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.0564","0.0507","","","0.1318","0.1371","","","","","","1.004","","","","has coordinates","298870","2025-04-05","02:43:31",""
"7249921","14.6449","0.0017","16.654","0.003","14.6352","0.0015","90","","90","","90","","3569.5","0.8","120","0.11","120","","","","","","","","","6","P n n a","-P 2a 2bc","52","ZRFSIX-21-Cu-Beta","","","- C20 H22 Cu F6 N6 Zr -","- C20 H22 Cu F5.998 N6 Zr -","- C80 H88 Cu4 F23.992 N24 Zr4 -","4","0.5","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.1729","0.1131","","","0.2864","0.3335","","","","","","1.094","","","","has coordinates,has disorder","298870","2025-04-05","02:43:31",""
"7249924","14.8563","0.0009","15.281","0.0008","16.5287","0.0012","76.367","0.002","85.738","0.002","66.875","0.002","3352.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H55 N6 O8 Yb2 -","- C78 H55 N6 O8 Yb2 -","- C156 H110 N12 O16 Yb4 -","2","1","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","0.71073","MoKα","","0.0735","0.0529","","","0.1306","0.146","","","","","","1.06","","","","has coordinates,has disorder","298850","2025-04-05","02:37:08",""
"7249925","21.4927","0.0003","15.5992","0.0002","25.5168","0.0004","90","","95.309","0.001","90","","8518.3","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H144 Cl4 N18 O22 Yb4 -","- C176 H144 Cl4 N18 O22 Yb4 -","- C352 H288 Cl8 N36 O44 Yb8 -","2","0.5","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","1.54178","CuKα","","0.0784","0.0718","","","0.2059","0.2127","","","","","","1.065","","","","has coordinates","298850","2025-04-05","02:37:09",""
"7249926","25.1779","0.0012","17.1245","0.0009","24.3955","0.0012","90","","100.441","0.001","90","","10344.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122.5 H140 N4 Na4 O8 -","- C122.5 H140 N4 Na4 O8 -","- C490 H560 N16 Na16 O32 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0673","0.0523","","","0.1337","0.1444","","","","","","1.022","","","","has coordinates,has disorder","298871","2025-04-05","02:43:53",""
"7249927","14.8981","0.0006","8.6526","0.0003","16.0807","0.0008","90","","110.599","0.005","90","","1940.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0907","0.0673","","","0.1805","0.1959","","","","","","1.06","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249928","26.9692","0.0016","26.9692","0.0016","17.5013","0.0011","90","","90","","120","","11023.9","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H192 Ca3 N6 O6 -","- C186 H192 Ca3 N6 O6 -","- C558 H576 Ca9 N18 O18 -","3","0.166667","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.139","0.0895","","","0.215","0.2493","","","","","","1.046","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249929","24.2597","0.0008","44.3767","0.0015","8.5031","0.0003","90","","90","","90","","9154.1","0.5","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C22 H15 N O -","- C22 H15 N O -","- C528 H360 N24 O24 -","24","3","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0727","0.0489","","","0.1107","0.122","","","","","","1.023","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249930","14.4234","0.0007","10.4958","0.0004","14.8391","0.0007","90","","110.63","0.005","90","","2102.37","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl N O -","- C24 H26 Cl N O -","- C96 H104 Cl4 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.073","0.0501","","","0.113","0.1259","","","","","","1.019","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249931","15.9889","0.001","14.0339","0.0009","19.241","0.001","90","","90","","90","","4317.4","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 B F4 N O -","- C24 H26 B F4 N O -","- C192 H208 B8 F32 N8 O8 -","8","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.1047","0.071","","","0.1825","0.2049","","","","","","1.092","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249932","10.632","0.0006","13.0113","0.0007","13.1794","0.0007","80.2304","0.0017","76.6792","0.0018","69.7594","0.0017","1656.48","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","1","0.5","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0513","0.0414","","","0.1015","0.1078","","","","","","1.026","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249938","6.664","0.0009","17.112","0.002","18.366","0.003","90","","97.266","0.011","90","","2077.5","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cd2 Cl6 N2 -","- C10 H20 Cd2 Cl6 N2 -","- C40 H80 Cd8 Cl24 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","0.71073","MoKα","","0.0894","0.0552","","","0.0874","0.0999","","","","","","1.011","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249939","17.6713","0.0011","6.7314","0.0003","18.1716","0.001","90","","90","","90","","2161.6","0.2","403.02","0.1","403.02","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H40 Cd4 Cl12 N4 -","- C20 H40 Cd4 Cl12 N4 -","- C40 H80 Cd8 Cl24 N8 -","2","0.25","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1221","0.0836","","","0.2809","0.3203","","","","","","1.066","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249940","6.3709","0.0003","16.9377","0.0009","18.33","0.001","90","","97.538","0.005","90","","1960.87","0.18","300","0.1","300","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C10 H20 Cl6 Mn2 N2 -","- C10 H20 Cl6 Mn2 N2 -","- C40 H80 Cl24 Mn8 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1","0.0573","","","0.1412","0.1744","","","","","","1.095","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249941","14.6427","0.0016","6.494","0.0008","10.999","0.002","90","","90","","90","","1045.9","0.3","428","0.1","428","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 Cl3 Mn N -","- C5 H10 Cl3 Mn N -","- C20 H40 Cl12 Mn4 N4 -","4","0.5","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.3271","0.2541","","","0.3984","0.4352","","","","","","1.028","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249942","11.5763","0.0001","18.4127","0.0002","24.1317","0.0003","90","","103.228","0.001","90","","5007.22","0.1","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Cl4 N12 -","- C54 H50 Cl4 N12 -","- C216 H200 Cl16 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.0903","0.0914","","","","","","1.061","","","","has coordinates","298858","2025-04-05","02:40:26",""
"7249943","11.4546","0.0005","18.6173","0.0007","24.6098","0.0012","90","","100.265","0.004","90","","5164.1","0.4","150.01","0.1","150.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C208 H184 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1469","0.1584","","","","","","1.037","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249944","10.8323","0.0007","10.8523","0.001","13.367","0.001","68.942","0.008","77.748","0.006","63.78","0.008","1312.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C52 H46 N12 -","1","1","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0459","0.0441","","","0.1185","0.1208","","","","","","1.063","","","","has coordinates,has disorder","298858","2025-04-05","02:40:27",""
"7249945","10.6444","0.0003","49.445","0.0013","11.034","0.0004","90","","115.695","0.004","90","","5233.1","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H48 Cl6 N12 -","- C54 H48 Cl6 N12 -","- C216 H192 Cl24 N48 -","4","2","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0873","0.0715","","","0.1716","0.185","","","","","","1.053","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249946","21.5884","0.0009","21.5884","0.0009","17.7901","0.0011","90","","90","","90","","8291.2","0.7","293","2","293","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17 -","- Cl Cs7.5 H4 N Na0.5 Ni4 O74 P2 W17 -","- Cl4 Cs30 H16 N4 Na2 Ni16 O296 P8 W68 -","4","0.5","","Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu","A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance","CrystEngComm","2025","27","11","1650","1656","10.1039/D5CE00036J","","x-ray","0.71073","MoKα","","0.0965","0.0533","","","0.0935","0.1102","","","","","","1.031","","","","has coordinates","298860","2025-04-05","02:41:06",""
"7249947","11.464","0.00016","10.37828","0.00014","10.88732","0.00018","90","","108.933","0.001","90","","1225.26","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pranoprofen","Pranoprofen","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Prohens, Rafel; Barbas, Rafael; Abrego, Guadalupe; Frontera, Antonio","Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses","CrystEngComm","2025","27","12","1742","1748","10.1039/D4CE01279H","powder diffraction","","0.6194","synchrotron","","","","","","","","","23.7501","1204.5","","","","","","","has coordinates","298868","2025-04-05","02:42:57",""
"7249951","37.466","0.003","14.8831","0.0009","18.3908","0.0016","90","","90","","90","","10254.9","1.4","298","","298","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- B2 Cs1.5 H47 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B2 Cs1.5 H6 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B8 Cs6 H24 K16 N2 Na12 Ni28 O404 Si8 W80 -","4","0.5","","Zhang, Zheng-Ge; Wang, Zhen-Wen; Wang, Yu; Chen, Juan; Wang, Yue-Lin; Yang, Guo-Yu","A Ni-added polyoxometalate: synthesis, structure and catalytic performance","CrystEngComm","2025","27","13","1879","1886","10.1039/D5CE00060B","","x-ray","0.71073","MoKα","","0.1215","0.0728","","","0.1292","0.1423","","","","","","1.094","","","","has coordinates","298837","2025-04-05","02:34:22",""
"7249955","12.2261","0.0005","14.0822","0.0006","15.115","0.0005","67.388","0.004","72.278","0.003","74.731","0.003","2256.41","0.17","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C47 H53 Cl N8 O7 S -","- C47 H53 Cl N8 O7 S -","- C94 H106 Cl2 N16 O14 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0535","0.0398","","0.0978","0.0895","0.0978","","","","","","0.9919","","","","has coordinates","298867","2025-04-05","02:42:49",""
"7249956","12.6958","0.0005","43.0206","0.0012","10.8969","0.0005","90","","110.267","0.005","90","","5583.2","0.4","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Venetoclax","","- C55 H63 Cl N10 O11 S -","- C55 H63 Cl N10 O11 S -","- C220 H252 Cl4 N40 O44 S4 -","4","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0749","0.0526","","0.1381","0.1237","0.1381","","","","","","0.9807","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249957","11.1533","0.0004","12.6185","0.0005","19.2633","0.0007","71.723","0.003","85.508","0.003","73.59","0.003","2469.28","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C49 H55 Cl N8 O11 S -","- C49 H55 Cl N8 O11 S -","- C98 H110 Cl2 N16 O22 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","0.71073","MoKα","","0.084","0.0529","","0.1648","0.1449","0.1648","","","","","","0.9906","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249958","10.8016","0.0001","10.8223","0.0001","14.0795","0.0001","84.7041","0.0009","83.824","0.0009","76.704","0.001","1588.57","0.02","95","","95","","","","","","","","","6","P 1","P 1","1","","Venetoclax","","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","1","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0555","0.0552","","0.1501","0.1495","0.1501","","","","","","1.0468","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249959","12.1935","0.0001","15.7385","0.0001","17.4811","0.0002","109.48","0.0009","95.9264","0.0008","109.261","0.0009","2898.7","0.05","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C59 H66 Cl N7 O13 S3 -","- C59 H66 Cl N7 O13 S3 -","- C118 H132 Cl2 N14 O26 S6 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0511","0.0472","","0.1379","0.1351","0.1374","","","","","","0.9078","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249960","3.5587","0.0001","17.1844","0.0006","10.0828","0.0004","90","","94.393","0.003","90","","614.79","0.04","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O4 -","- C6 H12 N12 O4 -","- C12 H24 N24 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0477","0.0383","","","0.097","0.1018","","","","","","1.123","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249961","3.4551","0.0003","14.0564","0.0009","9.0385","0.0006","90","","93.842","0.006","90","","437.98","0.06","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0522","0.0436","","","0.1114","0.1182","","","","","","1.03","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249962","3.981","0.0002","26.2212","0.0013","11.0929","0.0005","90","","98.702","0.003","90","","1144.62","0.1","213.15","","213.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N10 O4 -","- C6 H10 N10 O4 -","- C24 H40 N40 O16 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54184","CuKα","","0.059","0.0409","","","0.1045","0.1155","","","","","","1.027","","","","has coordinates,has disorder","298842","2025-04-05","02:35:28",""
"7249963","10.4988","0.0004","13.0416","0.0005","11.0271","0.0005","90","","103.205","0.002","90","","1469.92","0.1","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl N10 O8 -","- C6 H11 Cl N10 O8 -","- C24 H44 Cl4 N40 O32 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0631","0.0453","","","0.1152","0.1353","","","","","","1.049","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249964","3.6169","0.0018","7.881","0.003","9.865","0.005","109.743","0.019","97.4","0.02","101.86","0.02","253","0.2","233","","233","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","1","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.1036","0.0486","","","0.1188","0.1469","","","","","","0.944","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249965","3.6899","0.0007","13.747","0.003","9.3323","0.0013","90","","95.909","0.01","90","","470.87","0.15","233","","233","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O6 -","- C4 H8 N8 O6 -","- C8 H16 N16 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0799","0.0689","","","0.1864","0.1925","","","","","","1.097","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249966","3.4526","0.0001","14.093","0.0006","9.0501","0.0004","90","","94.007","0.003","90","","439.28","0.03","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C8 H12 N12 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0487","0.044","","","0.1207","0.1254","","","","","","1.102","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249967","19.6125","0.0016","5.5243","0.0004","8.0101","0.0007","90","","90.068","0.003","90","","867.86","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cd Cl2 N2 -","- C12 H30 Cd Cl2 N2 -","- C24 H60 Cd2 Cl4 N4 -","2","0.5","","Parthiban, Pavithra; Makhija, Urmila; Pratham, Rachit; Swain, Diptikanta; Nag, Angshuman","Covalent organic–inorganic layered 2D CdCl2(n-hexylamine)2 and not Cd2S2(n-hexylamine)","CrystEngComm","2025","27","13","2004","2011","10.1039/D5CE00011D","","","0.71073","MoKα","","0.0584","0.0417","","","0.0939","0.1016","","","","","","1.047","","","","has coordinates","298834","2025-04-05","02:33:55",""
"7249968","6.8046","0.0002","8.8154","0.0003","10.4843","0.0004","88.304","0.001","88.304","0.002","69.875","0.003","590.12","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Darifenacin hydrate","","","- C28 H31.27 N2 O2.64 -","- C28 H31.274 N2 O2.637 -","- C28 H31.274 N2 O2.637 -","1","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0372","0.0357","","","0.091","0.0922","","","","","","1.065","","","","has coordinates","298841","2025-04-05","02:35:18",""
"7249969","12.2363","0.0001","8.7874","0.0001","14.0356","0.0002","90","","113.022","0.001","90","","1388.98","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","darifenacin solvate with toluene","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C70 H76 N4 O4 -","2","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0501","0.0446","","","0.095","0.0971","","","","","","1.066","","","","has coordinates,has disorder","298841","2025-04-05","02:35:18",""
"7249970","12.9596","0.0004","13.7413","0.0003","25.0477","0.0007","100.909","0.002","95.649","0.002","114.947","0.003","3890.9","0.2","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C156 H128 Dy2 F18 N14 O28 P6 S6 -","2","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0666","0.0412","","","0.0838","0.0917","","","","","","1.003","","","","has coordinates,has disorder","298840","2025-04-05","02:35:09",""
"7249971","12.8264","0.0003","23.1597","0.0007","25.9044","0.0006","108.328","0.002","98.49","0.002","98.959","0.002","7055.2","0.3","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C236 H336 Dy4 F24 N28 O40 P8 S8 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.101","0.0611","","","0.1279","0.1651","","","","","","1.173","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249972","44.0135","0.0004","33.1845","0.0003","18.0566","0.0002","90","","93.1764","0.0007","90","","26332.3","0.4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C936 H1336 Dy16 F72 N112 O136 P32 S24 -","8","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0559","0.0432","","","0.1042","0.1151","","","","","","1.09","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249973","13.80326","0.00014","17.08518","0.00016","31.85","0.0003","99.0853","0.0008","94.0652","0.0008","91.2834","0.0008","7394.03","0.13","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H72.8 Cl2 Dy N7 O15.9 P3 -","- C77 H69 Cl2 Dy N7 O15.9 P3 -","- C308 H276 Cl8 Dy4 N28 O63.6 P12 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0521","0.0411","","","0.0964","0.103","","","","","","1.007","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249974","13.8538","0.0003","17.5673","0.0004","13.8398","0.0003","90","","96.191","0.002","90","","3348.6","0.13","299.8","0.1","299.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Br10 N6 O Pb2 -","- C12 H38 Br10 N6 O Pb2 -","- C48 H152 Br40 N24 O4 Pb8 -","4","1","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","x-ray","0.71073","MoKα","","0.0912","0.0516","","","0.0813","0.0889","","","","","","1.067","","","","has coordinates","298836","2025-04-05","02:34:12",""
"7249975","10.2495","0.0002","8.7968","0.0002","10.3341","0.0002","90","","101.902","0.001","90","","911.72","0.03","282","","282","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Br5 N3 O Pb -","- C7 H22 Br5 N3 O Pb -","- C14 H44 Br10 N6 O2 Pb2 -","2","0.5","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","","1.54178","CuKα","","0.0322","0.0301","","","0.0661","0.067","","","","","","1.099","","","","has coordinates,has disorder","298836","2025-04-05","02:34:12",""
"7249976","6.9591","0.0009","6.8466","0.0008","8.0046","0.001","90","","115.264","0.004","90","","344.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H K N O4 -","- H K N O4 -","- H4 K4 N4 O16 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0156","0.0149","","","0.0366","0.0369","","","","","","1.133","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249977","12.1429","0.0011","12.8212","0.0011","10.9801","0.0009","90","","90","","90","","1709.5","0.3","120","2","120","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- H4 N2 O9 Rb2 -","- H4 N2 O9 Rb2 -","- H32 N16 O72 Rb16 -","8","0.5","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0602","0.036","","","0.0668","0.0735","","","","","","1.079","","","","has coordinates,has disorder","298838","2025-04-05","02:34:33",""
"7249978","6.705","0.0003","8.1533","0.0003","7.216","0.0002","90","","92.7189","0.0013","90","","394.04","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H N O4 Rb -","- H N O4 Rb -","- H4 N4 O16 Rb4 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0167","0.0145","","","0.0303","0.0309","","","","","","1.085","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249979","12.3185","0.0004","14.6896","0.0005","15.1162","0.0005","90","","90","","90","","2735.33","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N2 O7 -","- C8 H24 N2 O7 -","- C64 H192 N16 O56 -","8","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0413","0.0346","","","0.0856","0.0896","","","","","","1.039","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249980","10.8713","0.0004","11.0969","0.0004","12.3276","0.0005","106.376","0.001","108.671","0.001","105.367","0.001","1244.23","0.08","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","1","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0274","0.025","","","0.0652","0.0676","","","","","","1.051","","","","has coordinates","298835","2025-04-05","02:34:03",""
"7249981","19.3291","0.0006","18.9664","0.0005","15.4974","0.0004","90","","90","","90","","5681.4","0.3","296.15","","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C64 H160 Al4 Mo24 N64 O152 Zn8 -","4","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0295","","","0.0721","0.0798","","","","","","1.074","","","","has coordinates","298835","2025-04-05","02:34:04",""
"7249982","15.5236","0.0005","7.6804","0.0002","18.3531","0.0005","90","","114.761","0.001","90","","1987.02","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0584","0.0463","","","0.1238","0.1343","","","","","","1.058","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249983","7.2804","0.0005","13.7782","0.001","15.2825","0.0011","106.655","0.002","92.239","0.002","103.923","0.002","1415.88","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.086","0.0842","","","0.2503","0.2528","","","","","","1.123","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249984","15.144","0.004","14.803","0.005","15.759","0.004","90","","109.241","0.011","90","","3335.5","1.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H64 Cd N2 O6 -","- C86 H64 Cd N2 O6 -","- C172 H128 Cd2 N4 O12 -","2","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0463","0.0372","","","0.0953","0.1027","","","","","","1.094","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249985","14.4148","0.0004","15.8764","0.0005","16.3965","0.0005","61.05","0.002","75.044","0.003","63.886","0.005","2943.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0446","0.0317","","","0.0755","0.0903","","","","","","1.11","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249986","20.408","0.006","27.538","0.009","22.646","0.004","90","","112.654","0.008","90","","11745","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C152 H104 Cd2 N4 O8 -","- C152 H104 Cd2 N4 O8 -","- C608 H416 Cd8 N16 O32 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0524","0.0395","","","0.0873","0.0943","","","","","","1.08","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249987","5.9191","0.0003","19.067","0.0007","9.0123","0.0005","90","","90","","90","","1017.12","0.09","298.01","0.1","298.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0936","0.073","","","0.1547","0.1621","","","","","","1.154","","","","has coordinates","298227","2025-03-04","19:55:09",""
"7249988","5.9248","0.0001","19.0854","0.0003","9.0135","0.0001","90","","90","","90","","1019.22","0.03","297.9","0.1","297.9","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0457","0.0435","","","0.1217","0.1243","","","","","","1.07","","","","has coordinates","298227","2025-03-04","19:55:12",""
"7249989","5.9364","0.0002","19.0616","0.0008","9.0086","0.0003","90","","90","","90","","1019.39","0.06","297.98","0.1","297.98","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0731","0.0678","","","0.1912","0.1978","","","","","","1.081","","","","has coordinates","298227","2025-03-04","19:55:17",""
"7250002","11.2755","0.0005","12.5603","0.0005","14.1747","0.0006","88.076","0.003","75.092","0.004","86.99","0.003","1936.81","0.15","114.9","0.1","114.9","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H40 B Cu F4 N4 O P2 -","- C44 H40 B Cu F4 N4 O P2 -","- C88 H80 B2 Cu2 F8 N8 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.0952","0.1016","","","","","","1.075","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250003","11.9345","0.0011","13.5182","0.0012","13.6237","0.0012","85.59","0.003","82.487","0.002","88.594","0.004","2172.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 B Cu F4 N6 O P2 -","- C46 H40 B Cu F4 N6 O P2 -","- C92 H80 B2 Cu2 F8 N12 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0923","0.0545","","","0.1367","0.156","","","","","","0.961","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250004","20.228","0.002","21.227","0.002","19.952","0.002","90","","99.407","0.003","90","","8451.8","1.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C352 H288 Cu8 F24 N32 O24 P16 S8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.2659","0.1874","","","0.3599","0.3849","","","","","","1.09","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250005","11.51","0.0011","12.721","0.0013","14.1767","0.0012","90.485","0.002","104.934","0.003","91.579","0.002","2004.6","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0873","0.0646","","","0.1746","0.1884","","","","","","0.9438","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250006","11.9207","0.0011","13.9365","0.0012","13.9818","0.0013","86.078","0.003","82.12","0.002","87.814","0.003","2294.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H40 Cu F3 N6 O4 P2 S -","- C47 H40 Cu F3 N6 O4 P2 S -","- C94 H80 Cu2 F6 N12 O8 P4 S2 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0926","0.057","","","0.1486","0.1685","","","","","","1.013","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250007","11.6848","0.0011","12.8101","0.0012","14.4714","0.0013","88.363","0.003","74.601","0.002","88.134","0.003","2086.8","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cl Cu N4 O5 P2 -","- C44 H40 Cl Cu N4 O5 P2 -","- C88 H80 Cl2 Cu2 N8 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.1359","0.0867","","","0.2126","0.2433","","","","","","0.934","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250008","11.8666","0.0001","13.4149","0.0002","13.5834","0.0002","85.487","0.001","82.21","0.001","88.53","0.001","2135.49","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 Cl Cu N6 O5 P2 -","- C46 H40 Cl Cu N6 O5 P2 -","- C92 H80 Cl2 Cu2 N12 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","1.54184","CuKα","","0.0369","0.035","","","0.0994","0.1007","","","","","","1.027","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250009","13.0654","0.0007","16.2881","0.001","21.3823","0.0012","90","","99.09","0.002","90","","4493.2","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu I N6 O3 P2 -","- C47 H44 Cu I N6 O2 P2 -","- C188 H176 Cu4 I4 N24 O8 P8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0435","0.0326","","","0.077","0.0858","","","","","","1.055","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250012","13.9025","0.001","13.729","0.001","15.9725","0.001","90","","98.472","0.003","90","","3015.4","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C120 H156 N36 S12 -","12","3","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0563","0.0428","","","0.1257","0.131","","","","","","1.103","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250013","14.1073","0.0011","13.0293","0.001","9.4999","0.0008","90","","94.478","0.003","90","","1740.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0628","0.0415","","","0.0987","0.111","","","","","","1.021","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250014","8.5839","0.0003","19.2383","0.0008","21.3179","0.0009","90","","90","","90","","3520.4","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C152 H160 F8 N24 O8 S8 -","8","2","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0483","0.0395","","","0.0867","0.0921","","","","","","1.029","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250015","8.2226","0.0005","7.7209","0.0005","14.3343","0.0011","90","","94.293","0.003","90","","907.47","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0467","0.0371","","","0.0997","0.1028","","","","","","1.089","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250016","7.776","0.0007","8.2126","0.0007","10.8516","0.001","86.364","0.003","69.904","0.003","88.495","0.003","649.49","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C30 H30 N6 S2 -","2","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0381","0.0364","","","0.0987","0.1002","","","","","","1.076","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250017","11.2278","0.0005","9.733","0.0004","13.8833","0.0005","90","","110.469","0.002","90","","1421.38","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0641","0.0483","","","0.1367","0.142","","","","","","1.146","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250018","16.9149","0.0012","9.8296","0.0006","16.9361","0.0012","90","","118.803","0.003","90","","2467.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O4 S3 -","- C26 H21 N3 O4 S3 -","- C104 H84 N12 O16 S12 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.078","0.0506","","","0.1194","0.1269","","","","","","1.055","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250019","16.8994","0.0007","17.1783","0.0008","17.8101","0.0008","61.569","0.002","79.57","0.002","88.952","0.002","4457.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N3 S -","- C11 H15 N3 S -","- C176 H240 N48 S16 -","16","8","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0506","0.0426","","","0.102","0.1073","","","","","","1.053","","","","has coordinates,has disorder","298848","2025-04-05","02:36:49",""
"7250020","8.8372","0.0003","26.8331","0.0012","7.5381","0.0003","90","","94.605","0.003","90","","1781.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O4 -","- C21 H15 N3 O4 -","- C84 H60 N12 O16 -","4","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0663","0.0455","","","0.0936","0.1048","","","","","","1.033","","","","has coordinates","298854","2025-04-05","02:38:09",""
"7250021","17.3238","0.0003","18.1345","0.0004","18.2145","0.0004","87.982","0.002","83.51","0.002","77.24","0.002","5544.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Ce2 N18 O25 -","- C126 H86 Ce2 N18 O25 -","- C252 H172 Ce4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0645","0.0418","","","0.0791","0.0914","","","","","","1.045","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250022","17.1864","0.0003","18.0738","0.0004","18.1622","0.0004","87.955","0.002","83.642","0.002","77.387","0.002","5471.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Eu2 N18 O25 -","- C126 H86 Eu2 N18 O25 -","- C252 H172 Eu4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0569","0.0338","","","0.0559","0.0614","","","","","","0.978","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250023","17.1488","0.0009","18.0395","0.0012","18.1496","0.0011","87.998","0.005","83.599","0.005","77.479","0.005","5446.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Gd2 N18 O25 -","- C126 H86 Gd2 N18 O25 -","- C252 H172 Gd4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1131","0.0533","","","0.063","0.0775","","","","","","0.835","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250024","18.0208","0.0004","18.139","0.0004","35.215","0.0009","82.461","0.002","77.237","0.002","88.009","0.002","11129.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H174 N36 O51 Tb4 -","- C252 H174 N36 O51 Tb4 -","- C504 H348 N72 O102 Tb8 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1041","0.077","","","0.1659","0.1808","","","","","","1.082","","","","has coordinates,has disorder","298854","2025-04-05","02:38:10",""
"7250025","9.919","0.0002","18.6995","0.0004","14.2034","0.0003","90","","91.711","0.002","90","","2633.28","0.1","95","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0678","0.0585","","0.1573","0.1533","0.1573","","","","","","0.9309","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250026","8.9467","0.0001","16.7061","0.0003","32.6593","0.0005","90","","90","","90","","4881.4","0.13","95","","95","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C208 H312 N8 O32 -","8","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0482","0.0446","","0.1137","0.1115","0.1137","","","","","","1.0315","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250027","20.0237","0.0006","17.0222","0.0005","8.20215","0.00019","90","","90","","90","","2795.68","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 N O5 -","- C28 H45 N O5 -","- C112 H180 N4 O20 -","4","1","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","powder diffraction","x-ray","1.54187","CuKα","","0.0699","0.0675","","0.0805","0.0803","","","","4.6825","","","","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250028","9.6215","0.0004","10.7098","0.0004","29.8886","0.0012","90","","90","","90","","3079.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C39 H39 N O4 -","- C39 H39 N O4 -","- C156 H156 N4 O16 -","4","1","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0568","0.046","","","0.0907","0.0972","","","","","","1.116","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250029","9.3267","0.0009","9.9858","0.001","18.1928","0.0019","81.945","0.004","78.493","0.004","87.89","0.004","1643.9","0.3","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0585","0.0466","","","0.1032","0.1167","","","","","","1.127","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250030","9.3884","0.0004","34.6497","0.0013","10.1379","0.0004","90","","92.6305","0.0017","90","","3294.4","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C160 H164 N4 O16 -","4","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0431","0.0423","","","0.1135","0.1142","","","","","","1.068","","","","has coordinates,has disorder","298839","2025-04-05","02:34:46",""
"7250031","9.5704","0.0006","9.8658","0.0005","17.3649","0.001","97.408","0.002","100.565","0.002","90.588","0.002","1597.37","0.16","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0458","0.0381","","","0.0794","0.0844","","","","","","1.059","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250032","8.5467","0.0004","9.5605","0.0005","13.016","0.0007","93.461","0.005","95.913","0.004","111.472","0.005","978.93","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 I3 N2 O2 -","- C14 H14 F3 I3 N2 O2 -","- C28 H28 F6 I6 N4 O4 -","2","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0598","0.04","","","0.0778","0.0892","","","","","","1.026","","","","has coordinates,has disorder","298855","2025-04-05","02:38:18",""
"7250033","28.0048","0.0013","4.8659","0.0003","15.7552","0.0009","90","","90","","90","","2146.9","0.2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H13 F3 I3 N O3 -","- C18 H13 F3 I3 N O3 -","- C72 H52 F12 I12 N4 O12 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0385","0.0361","","","0.0982","0.1013","","","","","","1.02","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250034","8.8594","0.0005","10.1598","0.0007","12.808","0.001","92.855","0.006","95.703","0.005","99.376","0.005","1129.25","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","1","0.5","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0493","0.0348","","","0.0673","0.0753","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250035","6.0245","0.0003","9.3655","0.0004","38.7258","0.0016","90","","92.09","0.004","90","","2183.55","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F4 I2 N2 O2 -","- C20 H18 F4 I2 N2 O2 -","- C80 H72 F16 I8 N8 O8 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0488","0.0465","","","0.1252","0.1277","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250036","11.1392","0.0005","25.2833","0.0011","22.6009","0.0012","90","","103.461","0.002","90","","6190.4","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 Br2 O10 -","- C71 H72 Br2 O10 -","- C284 H288 Br8 O40 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0801","0.0611","","","0.1654","0.185","","","","","","1.055","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250037","38.7491","0.0009","10.4816","0.0002","23.9295","0.0005","90","","107.054","0.001","90","","9291.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Br4 O12 -","- C102 H120 Br4 O12 -","- C408 H480 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0621","0.0494","","","0.131","0.1436","","","","","","1.023","","","","has coordinates","298843","2025-04-05","02:35:48",""
"7250038","11.3658","0.0003","25.1078","0.0007","22.8023","0.0006","90","","104.364","0.001","90","","6303.7","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C73 H76 Br2 O10 -","- C73 H76 Br2 O10 -","- C292 H304 Br8 O40 -","4","1","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1301","0.1034","","","0.2755","0.3181","","","","","","1.272","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250039","39.404","0.002","10.6754","0.0007","24.3659","0.0014","90","","107.392","0.004","90","","9781","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H128 Br4 O12 -","- C106 H128 Br4 O12 -","- C424 H512 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1199","0.0752","","","0.2133","0.2571","","","","","","1.03","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250044","17.9836","0.0009","17.9846","0.0008","14.155","0.0007","90","","97.572","0.002","90","","4538.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H90 N16 O17 Zn4 -","- C98 H84 N16 O17 Zn4 -","- C196 H168 N32 O34 Zn8 -","2","0.5","","Zhao, Fang-Hua; Li, Yu-Shuo; Li, Shu-Qi; Wu, Xiao-Hong; He, Yuan-Chun; Li, Zhong-Lin","A stable two-fold interpenetrated 3D Zn(ii) MOF for fluorescence sensing of uric acid and tryptophan","CrystEngComm","2025","27","14","2223","2232","10.1039/D4CE01283F","","","0.71073","MoKα","","0.0492","0.0376","","","0.0997","0.1072","","","","","","1.016","","","","has coordinates","298852","2025-04-05","02:37:33",""
"7250046","14.2295","0.0003","15.4768","0.0003","17.3417","0.0004","70.136","0.002","79.294","0.002","85.33","0.002","3528.67","0.14","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.2 H68.2 Cl6.6 N15 O4 -","- C69 H67 Cl3 N15 O4 -","- C138 H134 Cl6 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","","1.3405","GaKα","","0.1149","0.0881","","","0.2705","0.2954","","","","","","1.068","","","","has coordinates","298844","2025-04-05","02:36:14",""
"7250047","22.8874","0.0011","22.8874","0.0011","57.2","0.005","90","","90","","120","","25949","3","100.02","0.1","100.02","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C146.2 H163.2 Cl21.6 N30 O6 -","- C142 H158.999 Cl9 N30 O6 -","- C852 H953.996 Cl54 N180 O36 -","6","0.333333","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1723","0.1446","","","0.3752","0.4041","","","","","","1.456","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250048","14.3812","0.0003","15.4937","0.0003","17.2333","0.0004","71.658","0.002","79.5378","0.0019","82.7903","0.0017","3574.58","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C155 H160 Cl6 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.3405","GaKα","","0.1928","0.1378","","","0.3414","0.3586","","","","","","1.096","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250049","14.8347","0.0008","15.5615","0.0009","16.9145","0.0009","72.925","0.005","81.228","0.004","82.651","0.004","3674.6","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.2876","0.1353","","","0.3432","0.4357","","","","","","1.167","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250050","14.6409","0.0005","15.4829","0.0005","17.0956","0.0005","71.798","0.003","80.271","0.003","79.849","0.003","3596.8","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C83 H89 N15 O4 -","- C83 H89 N15 O4 -","- C166 H178 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.0914","0.0739","","","0.1878","0.198","","","","","","1.028","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250051","14.7305","0.0005","15.2894","0.0005","17.0209","0.0005","72.734","0.003","80.346","0.003","79.345","0.003","3571.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C150.98 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1191","0.085","","","0.231","0.2611","","","","","","1.026","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250057","11.0457","0.0016","31.235","0.004","11.3942","0.0017","90","","117.679","0.005","90","","3481.3","0.9","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cl N5 O12 -","- C35 H38 Cl N5 O12 -","- C140 H152 Cl4 N20 O48 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0957","0.0832","","","0.2077","0.2147","","","","","","1.098","","","","has coordinates","298866","2025-04-05","02:42:28",""
"7250058","8.8096","0.0005","11.2696","0.0006","21.1324","0.0012","85.724","0.002","81.896","0.002","72.086","0.002","1975.3","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 Cl F2 I N5 O12 -","- C38 H38 Cl F2 I N5 O12 -","- C76 H76 Cl2 F4 I2 N10 O24 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0551","0.0408","","","0.0775","0.0852","","","","","","1.122","","","","has coordinates","298866","2025-04-05","02:42:29",""
"7250059","13.111","0.006","15.861","0.008","18.599","0.009","90","","90.667","0.014","90","","3867","3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl F4 I2 N4 O6 -","- C36 H33 Cl F4 I2 N4 O6 -","- C144 H132 Cl4 F16 I8 N16 O24 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0543","0.0422","","","0.1053","0.1187","","","","","","1.038","","","","has coordinates","298866","2025-04-05","02:42:31",""
"7250060","10.5962","0.0012","12.4166","0.0015","13.7105","0.0015","91.12","0.003","93.412","0.003","113.928","0.003","1644","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C72 H48 Cd4 N8 O20 -","2","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal Structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","","","","","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0715","0.0463","","","0.1165","0.1318","","","","","","1.026","","","","has coordinates","297945","2025-03-03","23:33:57",""
"7250061","7.155","0.002","17.698","0.005","26.296","0.008","90","","93.13","0.011","90","","3324.9","1.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C144 H96 Cd8 N16 O40 -","4","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal Structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","","","","","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0513","0.0495","","","0.1578","0.1597","","","","","","1.044","","","","has coordinates","297945","2025-03-03","23:33:59",""
"7250064","26.9074","0.0004","17.1592","0.0003","27.359","0.0004","90","","96.183","0.001","90","","12558.4","0.3","300.48","0.1","300.48","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H24 Cd2 F4 N6 O8 -","- C43 H24 Cd2 F4 N6 O8 -","- C344 H192 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0425","0.0393","","","0.1106","0.1132","","","","","","1.089","","","","has coordinates","297955","2025-03-04","02:21:38",""
"7250065","7.5267","0.0006","11.4086","0.0009","13.3971","0.001","114.88","0.0016","91.182","0.002","94.865","0.002","1037.85","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cd N2 O10 -","- C22 H17 Cd N2 O10 -","- C44 H34 Cd2 N4 O20 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0517","0.0332","","","0.0607","0.0663","","","","","","1.034","","","","has coordinates","297956","2025-03-04","02:23:54",""
"7250066","6.546","0.004","12.633","0.007","12.865","0.007","97.026","0.019","95.24","0.02","96.96","0.02","1042","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","1","0.5","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0857","0.0463","","","0.0899","0.1029","","","","","","1.027","","","","has coordinates","297956","2025-03-04","02:24:05",""
"7250067","8.328","0.003","10.399","0.003","12.543","0.004","95.415","0.006","97.524","0.006","92.705","0.009","1070.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cd N2 O11 -","- C21 H17 Cd N2 O11 -","- C42 H34 Cd2 N4 O22 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0565","0.0493","","","0.1295","0.1334","","","","","","1.123","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250068","10.24","0.03","12.29","0.04","13.58","0.05","97.39","0.09","99.45","0.13","104.61","0.11","1605","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 Cd N4 O14 -","- C38 H20 Cd N4 O14 -","- C76 H40 Cd2 N8 O28 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0716","0.0467","","","0.1104","0.1226","","","","","","1.015","","","","has coordinates,has disorder","297956","2025-03-04","02:24:06",""
"7250069","10.4465","0.0006","12.6964","0.0007","13.574","0.0008","97.2892","0.0013","99.3233","0.0013","105.765","0.0013","1681.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Cd N4 O12 -","- C38 H18 Cd N4 O12 -","- C76 H36 Cd2 N8 O24 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0675","0.0438","","","0.0852","0.0926","","","","","","1.005","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250070","8.103","0.004","10.232","0.005","12.72","0.006","97.593","0.012","99.913","0.011","91.322","0.013","1028.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N2 O11 Zn -","- C21 H17 N2 O11 Zn -","- C42 H34 N4 O22 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1386","0.0742","","","0.0917","0.1055","","","","","","1.064","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250071","10.1088","0.0013","10.4401","0.0013","11.9209","0.0014","106.047","0.003","94.16","0.003","112.725","0.003","1092.2","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cd N4 O7.5 -","- C21 H18 Cd N4 O7.5 -","- C42 H36 Cd2 N8 O15 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0636","0.0378","","","0.0598","0.0655","","","","","","1.012","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250072","10.256","0.003","12.694","0.004","13.59","0.005","97.295","0.009","99.972","0.01","105.313","0.008","1652.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H19 N4 O14 Zn -","- C39 H19 N4 O14 Zn -","- C78 H38 N8 O28 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1468","0.0838","","","0.2025","0.2372","","","","","","1.048","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250079","6.8778","0.0003","6.8778","0.0003","19.2548","0.0011","90","","90","","90","","910.83","0.08","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Mg4 Na O12 V3 -","- Mg4 Na O12 V3 -","- Mg16 Na4 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0194","0.0187","","","0.0438","0.0446","","","","","","1.006","","","","has coordinates","298849","2025-04-05","02:36:58",""
"7250080","6.8673","0.0006","6.8673","0.0006","18.968","0.002","90","","90","","90","","894.53","0.15","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Li Mg4 O12 V3 -","- Li Mg4 O12 V3 -","- Li4 Mg16 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0187","0.0184","","","0.0468","0.047","","","","","","1.18","","","","has coordinates","298849","2025-04-05","02:36:59",""
"7250081","7.5048","0.0014","12.3263","0.0019","26.274","0.005","90","","92.904","0.005","90","","2427.4","0.7","100","2","99.9","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C23 H21 Cd F6 N O5.5 -","- C21 H17 Cd F6 N O5 -","- C84 H68 Cd4 F24 N4 O20 -","4","1","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0838","0.0429","","","0.0795","0.0893","","","","","","1.045","","","","has coordinates,has disorder","298851","2025-04-05","02:37:17",""
"7250082","25.095","0.016","6.44","0.004","28.376","0.018","90","","114.671","0.018","90","","4167","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 Mg3 N O19 S2 -","- C32 H34 Mg3 O18 S2 -","- C128 H136 Mg12 O72 S8 -","4","0.5","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0659","0.0498","","","0.1262","0.1356","","","","","","1.041","","","","has coordinates","298851","2025-04-05","02:37:17",""
"7250083","12.4892","0.0003","5.1131","0.0001","18.7509","0.0004","90","","90.473","0.001","90","","1197.36","0.05","100","","100","","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C23 H26 N4 O9 -","- C23 H26 N4 O9 -","- C46 H52 N8 O18 -","2","1","","Baptista, Rosa M. F.; Ayala, Alejandro P.; de Matos Gomes, Etelvina; Castro, M. Cidália R.; Machado, Ana V.; Belsley, Michael S.","Second harmonic generation and crystal structure of a self-assembled Boc-p-nitro-l-phenylalanyl-p-nitro-l-phenylalanine dipeptide","CrystEngComm","2025","27","14","2195","2203","10.1039/D5CE00134J","","x-ray","1.54178","CuKα","","0.0427","0.0357","","","0.087","0.0927","","","","","","1.018","","","","has coordinates","298847","2025-04-05","02:36:34",""
"7250087","14.0115","0.0015","7.1139","0.0007","24.401","0.003","90","","102.624","0.004","90","","2373.4","0.5","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0633","0.0483","","","0.117","0.128","","","","","","1.041","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250088","12.312","0.006","7.042","0.004","26.902","0.013","90","","98.74","0.017","90","","2305","2","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0911","0.0647","","","0.1365","0.1493","","","","","","1.076","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250089","9.4872","0.0013","7.4956","0.001","12.2757","0.0016","90","","104.888","0.002","90","","843.6","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TDBBF_1","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C40 H32 Br4 Fe4 -","2","0.5","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2ʹʹ-dibromo-1,1ʹʹ-biferrocenes and their mixed-valence salts","CrystEngComm","2025","","","","","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0289","0.026","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates","298383","2025-03-11","23:36:27",""
"7250090","9.018","0.008","10.319","0.009","10.748","0.01","90","","90","","90","","1000.2","1.6","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FcBrCN","","","- C11 H8 Br Fe N -","- C11 H8 Br Fe N -","- C44 H32 Br4 Fe4 N4 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2ʹʹ-dibromo-1,1ʹʹ-biferrocenes and their mixed-valence salts","CrystEngComm","2025","","","","","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0212","0.02","","","0.0496","0.05","","","","","","1.079","","","","has coordinates","298383","2025-03-11","23:36:28",""
"7250091","14.684","0.002","11.6577","0.0019","18.755","0.003","90","","108.41","0.002","90","","3046.2","0.8","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br2 Fe2 I7 -","- C20 H16 Br2 Fe2 I7 -","- C80 H64 Br8 Fe8 I28 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2ʹʹ-dibromo-1,1ʹʹ-biferrocenes and their mixed-valence salts","CrystEngComm","2025","","","","","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0358","0.0293","","","0.0463","0.0479","","","","","","0.963","","","","has coordinates","298383","2025-03-11","23:36:29",""
"7250092","13.194","0.003","14.16","0.003","18.352","0.004","90","","90","","90","","3428.6","1.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TDBBF_R_3_90K","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C160 H128 Br16 Fe16 -","8","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2ʹʹ-dibromo-1,1ʹʹ-biferrocenes and their mixed-valence salts","CrystEngComm","2025","","","","","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0596","0.0339","","","0.0671","0.074","","","","","","1.003","","","","has coordinates","298383","2025-03-11","23:36:29",""
"7250093","17.9766","0.0019","5.7375","0.0005","18.7841","0.0018","90","","93.907","0.004","90","","1932.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenylbutazone solvate with acetonitrile","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C84 H92 N12 O8 -","4","1","","Gabdulkhaev, Mukhammet Nafisovich; Simdyanova, Anastasia; Bolmatenkov, Dmitrii; Gubaidullin, Aidar Timergalievich; Mukhametzyanov, Timur; Ziganshin, Marat; Gorbatchuk, Valery","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","","","","","10.1039/D5CE00094G","","","0.71073","MoKα","","0.1794","0.1394","","","0.2782","0.2957","","","","","","1.145","","","","has coordinates,has disorder","298384","2025-03-11","23:36:59",""
"7250094","16.215","0.001","5.9581","0.0004","17.4194","0.0012","90","","92.782","0.002","90","","1680.92","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-phenylbutazone","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Gabdulkhaev, Mukhammet Nafisovich; Simdyanova, Anastasia; Bolmatenkov, Dmitrii; Gubaidullin, Aidar Timergalievich; Mukhametzyanov, Timur; Ziganshin, Marat; Gorbatchuk, Valery","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","","","","","10.1039/D5CE00094G","","","0.71073","MoKα","","0.0555","0.0441","","","0.1138","0.1223","","","","","","1.016","","","","has coordinates","298384","2025-03-11","23:37:00",""
"7250095","7.4586","0.0006","5.8956","0.0005","11.3644","0.0009","90","","112.375","0.003","90","","462.1","0.07","274","2","274","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- K Se2 Zn1.51 -","- K Se2 Zn1.5145 -","- K4 Se8 Zn6.058 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Ching; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc Selenide Stabilized in a Quadrilateral Network Characterized with Optical Emissions","CrystEngComm","2025","","","","","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0823","0.0611","","","0.1222","0.1337","","","","","","1.086","","","","has coordinates","298385","2025-03-11","23:37:24",""
"7250096","7.462","0.0002","5.9687","0.0001","11.3465","0.0002","90","","112.251","0.001","90","","467.724","0.017","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- K Mg0.23 Se2 Zn1.28 -","- K Mg0.232 Se2 Zn1.278 -","- K4 Mg0.928 Se8 Zn5.112 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Ching; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc Selenide Stabilized in a Quadrilateral Network Characterized with Optical Emissions","CrystEngComm","2025","","","","","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0134","0.0116","","","0.0245","0.0254","","","","","","1.144","","","","has coordinates","298385","2025-03-11","23:37:25",""
"7250097","9.6385","0.0019","7.4706","0.0015","7.7536","0.0016","90","","95.69","0.03","90","","555.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 -","- C6 H7 N2 -","- C24 H28 N8 -","4","1","","Zhao, Jiawei; Wang, Na; Zhou, Lina; Wang, Ting; Huang, Xin; Wang, Ailian; Zhang, Longgui; Hao, Hongxun","Mechanistic study on the crystal habit of 3,3′-diaminobenzidine in the presence of solvents and additives","CrystEngComm","2025","27","14","2204","2222","10.1039/D4CE01237B","","","0.71073","MoKα","","0.0924","0.056","","","0.1111","0.1258","","","","","","1.0455","","","","has coordinates","298846","2025-04-05","02:36:28",""
"7250098","7.9533","0.0011","33.455","0.004","8.0313","0.001","90","","90","","90","","2136.9","0.5","296.15","","296.15","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Wang, Juan; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","","","","","10.1039/D5CE00031A","","","0.71073","MoKα","","0.0444","0.0332","","","0.0712","0.075","","","","","","1.047","","","","has coordinates","298387","2025-03-11","23:37:58",""
"7250099","7.8589","0.0008","33.063","0.003","7.9671","0.0008","90","","90","","90","","2070.2","0.4","100","","100","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Wang, Juan; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","","","","","10.1039/D5CE00031A","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0686","0.0703","","","","","","1.06","","","","has coordinates","298387","2025-03-11","23:38:00",""
"7250102","25.649","0.005","9.0726","0.0016","6.769","0.0014","90","","92.424","0.006","90","","1573.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C24 H56 N72 O16 -","8","2","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole","CrystEngComm","2025","","","","","10.1039/D5CE00030K","","","0.71073","MoKα","","0.1017","0.0887","","","0.2414","0.2572","","","","","","1.078","","","","has coordinates","298426","2025-03-13","23:34:10",""
"7250103","7.2861","0.0005","5.9922","0.0004","8.2491","0.0006","90","","97.669","0.002","90","","356.93","0.04","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C6 H10 N14 O6 -","2","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole","CrystEngComm","2025","","","","","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0507","0.041","","","0.1006","0.1067","","","","","","1.083","","","","has coordinates","298426","2025-03-13","23:34:11",""
"7250104","7.7908","0.001","15.457","0.002","7.2605","0.0011","90","","114.635","0.004","90","","794.75","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C12 H28 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole","CrystEngComm","2025","","","","","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0769","0.05","","","0.1125","0.1225","","","","","","1.075","","","","has coordinates","298426","2025-03-13","23:34:11",""
"7250105","3.8698","0.0002","8.331","0.0005","11.6487","0.0008","90","","95.015","0.002","90","","374.11","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N8 O2 -","- C3 H6 N8 O2 -","- C6 H12 N16 O4 -","2","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole","CrystEngComm","2025","","","","","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0371","0.0322","","","0.0728","0.0758","","","","","","1.109","","","","has coordinates","298426","2025-03-13","23:34:11",""
"7250106","6.5314","0.0004","25.0039","0.0017","9.2895","0.0006","90","","90","","90","","1517.07","0.17","296","2","296","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C24 H64 N80 O8 -","8","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole","CrystEngComm","2025","","","","","10.1039/D5CE00030K","","","0.71073","MoKα","","0.081","0.0743","","","0.1669","0.172","","","","","","1.06","","","","has coordinates","298426","2025-03-13","23:34:12",""
"7250107","9.2271","0.0012","14.2917","0.0017","6.4999","0.0008","90","","101.078","0.004","90","","841.18","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C12 H36 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole","CrystEngComm","2025","","","","","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0738","0.0535","","","0.143","0.1554","","","","","","1.056","","","","has coordinates","298426","2025-03-13","23:34:12",""
"7250108","10.777847","0.000009","10.777847","0.000009","37.81681","0.00003","90","","90","","120","","3804.34","0.005","290","","290","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.049 Ni0.451 O28 V7 -","- Ca60.294 Ni2.706 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","","","","","10.1039/D4CE01033G","powder diffraction","","0.354207","?synchrotron?","","","","","","","","","8.0023","3.06","","","","","","","has coordinates","298427","2025-03-13","23:34:45",""
"7250109","10.754139","0.00001","10.754139","0.00001","37.72676","0.00004","90","","90","","120","","3778.6","0.006","50","","50","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.065 Ni0.435 O28 V7 -","- Ca60.39 Ni2.61 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","","","","","10.1039/D4CE01033G","powder diffraction","","0.354207","synchrotron","","","","","","","","","7.4933","2.54","","","","","","","has coordinates","298427","2025-03-13","23:34:48",""
"7250110","19.1222","0.0009","8.7885","0.0004","14.5433","0.0007","90","","90","","90","","2444.1","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Cu I N S2 -","- C9 H11 Cu I N S2 -","- C72 H88 Cu8 I8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(I) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","","","","","10.1039/D5CE00124B","","","0.71073","MoKα","","0.0341","0.0304","","","0.0774","0.0809","","","","","","0.853","","","","has coordinates","298428","2025-03-13","23:35:09",""
"7250111","18.7689","0.0004","8.6676","0.0003","14.2353","0.0004","90","","90","","90","","2315.82","0.11","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Br Cu N S2 -","- C9 H11 Br Cu N S2 -","- C72 H88 Br8 Cu8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(I) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","","","","","10.1039/D5CE00124B","","x-ray","0.71073","MoKα","","0.0568","0.0342","","","0.0769","0.0879","","","","","","1.064","","","","has coordinates","298428","2025-03-13","23:35:10",""
"7250112","19.6964","0.0007","17.1246","0.0006","12.4454","0.0004","90","","89.952","0.003","90","","4197.7","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cl4 N4 O12 Tb2 -","- C30 H46 Cl4 N4 O12 Tb2 -","- C120 H184 Cl16 N16 O48 Tb8 -","4","0.5","","Cao, Lin-Bo; Wang, Hao; Wang, Tiantian; Sun, Wenbin","Fluorescence Quenching-Based Sensing of Ofloxacin Using Dual-Nuclear Terbium Complex","CrystEngComm","2025","","","","","10.1039/D5CE00165J","","x-ray","0.71073","MoKα","","0.0326","0.0249","","","0.0543","0.0568","","","","","","1.045","","","","has coordinates","298429","2025-03-13","23:35:27",""
"7250113","8.5168","0.0001","11.751","0.0002","14.3094","0.0003","110.381","0.002","91.88","0.002","94.517","0.002","1335.49","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","EG-2MIE","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00174A","","","1.54184","CuKα","","0.0464","0.0452","","","0.1299","0.1312","","","","","","1.061","","","","has coordinates,has disorder","298450","2025-03-14","23:31:41",""
"7250114","7.0043","0.0002","11.7986","0.0003","14.0615","0.0004","79.478","0.002","83.701","0.002","82.92","0.002","1129.27","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","EG-Hydrate","","- C9 H15 O7.5 -","- C9 H15 O7.5 -","- C36 H60 O30 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","","","","","10.1039/D5CE00174A","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0906","0.0919","","","","","","1.06","","","","has coordinates","298450","2025-03-14","23:31:43",""
"7250115","6.8673","0.0007","11.7052","0.0011","17.4705","0.0014","90","","92.559","0.008","90","","1402.9","0.2","222.97","0.1","222.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-HCl-H2O","","- C13 H11 Cl N6 O -","- C13 H11 Cl N6 O -","- C52 H44 Cl4 N24 O4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: Metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","","","","","10.1039/D5CE00073D","","x-ray","0.71073","MoKα","","0.1026","0.0613","","","0.1327","0.1703","","","","","","1.061","","","","has coordinates","298480","2025-03-18","08:11:46",""
"7250116","25.4485","0.0008","12.9002","0.0005","4.46615","0.00012","90","","90","","90","","1466.2","0.08","273","0.1","273","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX–H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: Metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","","","","","10.1039/D5CE00073D","","x-ray","1.54184","CuKα","","0.0448","0.0414","","","0.1197","0.1224","","","","","","1.082","","","","has coordinates","298480","2025-03-18","08:11:48",""
"7250117","3.8498","0.0012","12.368","0.003","12.116","0.004","90","","96.377","0.013","90","","573.3","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","FYX I","","- C13 H8 N6 -","- C13 H8 N6 -","- C26 H16 N12 -","2","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: Metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","","","","","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0873","0.0748","","","0.1896","0.1979","","","","","","1.149","","","","has coordinates","298480","2025-03-18","08:12:00",""
"7250118","12.6047","0.0013","25.471","0.003","4.4874","0.0005","90","","90","","90","","1440.7","0.3","150","","150","","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX-H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: Metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","","","","","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0372","0.0347","","","0.088","0.0896","","","","","","1.059","","","","has coordinates","298480","2025-03-18","08:12:04",""
"7250119","8.6846","0.0003","17.1907","0.0005","9.6432","0.0003","90","","92.371","0.001","90","","1438.44","0.08","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-H2SO4 I","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: Metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","","","","","10.1039/D5CE00073D","","","0.71073","MoKα","","0.0566","0.0435","","","0.0923","0.1056","","","","","","1.165","","","","has coordinates","298480","2025-03-18","08:12:15",""
"7250127","10.2159","0.0006","11.9887","0.0004","12.2929","0.0005","86.478","0.003","89.905","0.004","83.462","0.004","1492.94","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Fe N10 O15.5 -","- C21 H28 Fe N10 O15.5 -","- C42 H56 Fe2 N20 O31 -","2","1","","Danilescu, Olga; Bourosh, Polina; Bulhac, Ion; Kulikova, Olga V.; Cocu, Maria; Chumakov, Yuri","Mononuclear high spin Fe(III) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","","","","","10.1039/D5CE00125K","","","0.71073","MoKα","","0.0587","0.0463","","","0.1217","0.132","","","","","","1.003","","","","has coordinates","298505","2025-03-18","23:32:52",""
"7250128","13.4972","0.0005","16.7467","0.0007","17.1179","0.0006","89.179","0.003","71.646","0.003","70.421","0.004","3442","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Cl3 Fe N7 O18.5 -","- C21 H28 Cl3 Fe N7 O18.5 -","- C84 H112 Cl12 Fe4 N28 O74 -","4","2","","Danilescu, Olga; Bourosh, Polina; Bulhac, Ion; Kulikova, Olga V.; Cocu, Maria; Chumakov, Yuri","Mononuclear high spin Fe(III) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","","","","","10.1039/D5CE00125K","","","0.71073","MoKα","","0.1326","0.0902","","","0.2655","0.3042","","","","","","1.005","","","","has coordinates,has disorder","298505","2025-03-18","23:32:52",""
"7250129","7.9903","0.0004","11.0983","0.0004","18.2204","0.0009","92.71","0.004","99.636","0.004","103.104","0.004","1545.36","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H28 O3 -","- C41 H28 O3 -","- C82 H56 O6 -","2","1","","Shehayeb, Elissa O.; Assoud, Abdeljalil; Au, Vonika Ka-Man","Aldehyde-based triphenylethylene organic crystals for aniline vapour detection","CrystEngComm","2025","","","","","10.1039/D5CE00022J","","","0.71073","MoKα","","0.0854","0.0681","","","0.1461","0.1525","","","","","","1.236","","","","has coordinates","298527","2025-03-19","23:38:30",""
"7250132","14.586","0.0003","14.586","0.0003","17.4069","0.0003","90","","90","","120","","3207.19","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H24 F3 La O18 -","- C9 H24 F3 La O18 -","- C54 H144 F18 La6 O108 -","6","0.333333","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.08","0.0805","","","","","","1.083","","","","has coordinates","298544","2025-03-20","23:37:15",""
"7250133","12.011","0.002","26.422","0.005","10.489","0.002","90","","108.86","0.03","90","","3150","1.1","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.5 Br5 La N2 O11.75 -","- C27 H12 Br5 La N2 O10 -","- C108 H48 Br20 La4 N8 O40 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","","0.710917","Synchrotron","","0.0746","0.0605","","","0.1583","0.171","","","","","","1.038","","","","has coordinates","298544","2025-03-20","23:37:17",""
"7250134","11.8532","0.0002","26.2857","0.0004","10.5597","0.0002","90","","107.882","0.002","90","","3131.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H16 Cl5 La N2 O12 -","- C108 H64 Cl20 La4 N8 O48 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0409","0.0375","","","0.0896","0.091","","","","","","1.045","","","","has coordinates","298544","2025-03-20","23:37:17",""
"7250135","10.8019","0.0004","12.6028","0.0005","13.3338","0.0005","109.799","0.003","90.154","0.003","108.366","0.003","1608.68","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br4 La N O11 -","- C28 H24 Br4 La N O11 -","- C56 H48 Br8 La2 N2 O22 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.1037","0.1017","","","0.2876","0.2919","","","","","","1.37","","","","has coordinates,has disorder","298544","2025-03-20","23:37:17",""
"7250136","11.7957","0.0003","26.311","0.0005","10.5813","0.0003","90","","108.089","0.003","90","","3121.67","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H18 Cl5 La N2 O13 -","- C108 H72 Cl20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0582","0.0494","","","0.1311","0.138","","","","","","1.142","","","","has coordinates","298544","2025-03-20","23:37:18",""
"7250137","10.7111","0.0003","11.8605","0.0004","13.2161","0.0004","97.055","0.002","94.584","0.002","107.293","0.003","1578.87","0.09","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 Br4 La N O19 -","- C19 H24 Br4 La N O19 -","- C38 H48 Br8 La2 N2 O38 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0399","0.0382","","","0.1057","0.107","","","","","","1.118","","","","has coordinates,has disorder","298544","2025-03-20","23:37:18",""
"7250138","13.0706","0.0002","13.8311","0.0002","18.0949","0.0002","92.541","0.001","90.289","0.001","101.008","0.001","3207.56","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl8 La2 N6 O29 -","- C46 H50 Cl8 La2 N6 O29 -","- C92 H100 Cl16 La4 N12 O58 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1276","0.1294","","","","","","1.049","","","","has coordinates","298544","2025-03-20","23:37:18",""
"7250139","10.7781","0.0004","11.4423","0.0004","12.9249","0.0004","103.513","0.003","94.393","0.003","106.749","0.003","1466.26","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl4 La N O12 -","- C25 H22 Cl4 La N O12 -","- C50 H44 Cl8 La2 N2 O24 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0404","0.0381","","","0.1016","0.1038","","","","","","1.0331","","","","has coordinates,has disorder","298544","2025-03-20","23:37:18",""
"7250140","12.1099","0.0001","26.346","0.0002","10.5165","0.0001","90","","108.823","0.001","90","","3175.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Br5 La N2 O13 -","- C27 H12 Br5 La N2 O13 -","- C108 H48 Br20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Metal-Organic Frameworks","CrystEngComm","2025","","","","","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0263","0.0259","","","0.0637","0.064","","","","","","1.0592","","","","has coordinates","298544","2025-03-20","23:37:19",""
"7250141","10.7076","0.0003","15.1774","0.0007","24.6897","0.0008","90","","101.81","0.002","90","","3927.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B6 F16 N28 -","- C68 H80 Ag2 B6 F16 N28 -","- C136 H160 Ag4 B12 F32 N56 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0362","0.0339","","","0.093","0.0944","","","","","","1.043","","","","has coordinates,has disorder","298545","2025-03-20","23:39:37",""
"7250142","10.7065","0.0003","15.4255","0.0003","24.8186","0.0005","90","","100.862","0.002","90","","4025.43","0.16","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 F20 N28 P2 -","- C68 H80 Ag2 B4 F20 N28 P2 -","- C136 H160 Ag4 B8 F40 N56 P4 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0539","0.0456","","","0.1141","0.1191","","","","","","1.035","","","","has coordinates,has disorder","298545","2025-03-20","23:39:38",""
"7250143","11.8538","0.0004","12.0482","0.0004","14.9556","0.0005","84.711","0.003","70.296","0.003","72.827","0.003","1921.14","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0572","0.0497","","","0.1221","0.1288","","","","","","1.112","","","","has coordinates,has disorder","298545","2025-03-20","23:39:39",""
"7250144","4.8187","0.001","18.098","0.004","20.308","0.004","77.995","0.006","89.089","0.006","85.412","0.006","1726.8","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","","0.71073","MoKα","","0.1026","0.0513","","","0.0982","0.1139","","","","","","0.994","","","","has coordinates","298545","2025-03-20","23:39:39",""
"7250145","9.1775","0.0008","10.1075","0.0008","43.74","0.004","95.436","0.006","94.643","0.007","92.586","0.007","4020.2","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C120 H140 Ag10 B8 F36 N48 O22 P10 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.1466","0.1189","","","0.2599","0.2799","","","","","","1.054","","","","has coordinates","298545","2025-03-20","23:39:40",""
"7250146","11.3667","0.0004","16.8858","0.0005","16.9432","0.0006","61.779","0.002","85.708","0.003","74.541","0.002","2756.75","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0639","0.053","","","0.1341","0.1418","","","","","","1.029","","","","has coordinates","298545","2025-03-20","23:39:40",""
"7250147","9.2212","0.0003","10.1196","0.0003","43.8086","0.0017","95.07","0.003","94.753","0.003","92.657","0.003","4052.1","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C120 H140 Ag10 B8 Cl10 F16 N48 O42 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","0.71073","MoKα","","0.1733","0.0828","","","0.2262","0.2625","","","","","","0.919","","","","has coordinates","298545","2025-03-20","23:39:41",""
"7250148","4.9084","0.0002","18.173","0.0007","20.2142","0.0007","77.493","0.003","89.044","0.003","83.528","0.003","1749.05","0.12","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.052","0.0501","","","0.1351","0.1379","","","","","","1.037","","","","has coordinates","298545","2025-03-20","23:39:41",""
"7250149","10.7497","0.0004","15.1327","0.0004","24.7495","0.0007","90","","101.452","0.002","90","","3945.9","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C136 H160 Ag4 B8 Cl4 F16 N56 O16 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0373","0.0345","","","0.0949","0.0963","","","","","","1.062","","","","has coordinates","298545","2025-03-20","23:39:42",""
"7250150","9.2292","0.0003","24.4944","0.001","17.7165","0.0005","90","","90","","90","","4005.1","0.2","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C34 H40 Ag B2 F4 N14 O4 Re -","- C34 H40 Ag B2 F4 N14 O4 Re -","- C136 H160 Ag4 B8 F16 N56 O16 Re4 -","4","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0713","0.0632","","","0.1724","0.1819","","","","","","1.049","","","","has coordinates","298545","2025-03-20","23:39:42",""
"7250151","21.2429","0.0008","18.7393","0.0006","9.1588","0.0004","90","","93.488","0.003","90","","3639.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ag2 B2 F4 N14 O6 -","- C30 H34 Ag2 B2 F4 N14 O6 -","- C120 H136 Ag8 B8 F16 N56 O24 -","4","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural Tuning of Tetrazole-BODIPY Ag(I) Coordination Compounds via Co-Ligand Addition and Counterion Variation","CrystEngComm","2025","","","","","10.1039/D5CE00197H","","x-ray","1.54186","CuKα","","0.0706","0.056","","","0.1468","0.1593","","","","","","1.051","","","","has coordinates","298545","2025-03-20","23:39:42",""
"7250152","7.3962","0.0003","7.7483","0.0003","10.1053","0.0003","74.404","0.003","72.51","0.003","75.828","0.003","523.46","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0308","0.0306","","","0.0884","0.0887","","","","","","1.0517","","","","has coordinates","298546","2025-03-20","23:42:32",""
"7250153","10.586","0.0003","11.312","0.0004","11.39","0.0004","68.084","0.003","66.508","0.003","64.091","0.003","1091.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.068","0.0674","","","0.1793","0.1798","","","","","","1.0417","","","","has coordinates","298546","2025-03-20","23:42:34",""
"7250154","8.5145","0.0002","14.7946","0.0003","10.0414","0.0002","90","","104.389","0.002","90","","1225.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N4 O6 S4 -","- C16 H32 N4 O6 S4 -","- C32 H64 N8 O12 S8 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0329","0.0313","","","0.0844","0.0861","","","","","","1.0475","","","","has coordinates","298546","2025-03-20","23:42:35",""
"7250155","7.543","0.0001","11.822","0.0001","20.072","0.0002","90","","99.41","0.001","90","","1765.8","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0403","0.0365","","","0.0934","0.0962","","","","","","1.0273","","","","has coordinates","298546","2025-03-20","23:42:35",""
"7250156","10.146","0.0002","14.144","0.0004","14.505","0.0003","91.7","0.0019","105.501","0.0019","101.171","0.002","1960.51","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O6 S2 -","- C22 H40 N2 O6 S2 -","- C66 H120 N6 O18 S6 -","3","1.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0449","0.0416","","","0.1125","0.1159","","","","","","1.0253","","","","has coordinates,has disorder","298546","2025-03-20","23:42:36",""
"7250157","8.382","0.0001","11.492","0.0002","19.223","0.0003","86.229","0.002","80.13","0.001","84.865","0.002","1814.54","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0664","0.06","","","0.1544","0.1588","","","","","","1.0473","","","","has coordinates","298546","2025-03-20","23:42:36",""
"7250158","8.189","0.0001","14.73","0.0001","21.856","0.0002","90","","90.56","0.001","90","","2636.23","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N2 O7 S2 -","- C22 H42 N2 O7 S2 -","- C88 H168 N8 O28 S8 -","4","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0343","0.0319","","","0.0808","0.0826","","","","","","1.0311","","","","has coordinates,has disorder","298546","2025-03-20","23:42:37",""
"7250159","11.5","0.0001","16.761","0.0002","19.589","0.0002","104.953","0.001","91.171","0.001","95.137","0.001","3629.58","0.07","99.98","0.11","99.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C128 H184 N24 O56 -","4","2","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes. Exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","","","","","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0487","0.0455","","","0.1465","0.15","","","","","","1.0377","","","","has coordinates","298546","2025-03-20","23:42:37",""
"7250161","10.0382","0.0002","10.0382","0.0002","7.9849","0.0002","90","","90","","120","","696.81","0.03","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C6 H14 Cs I3 N2 -","- C6 H14 Cs I3 N2 -","- C12 H28 Cs2 I6 N4 -","2","0.0833333","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0244","0.0233","","","0.0522","0.0524","","","","","","1.293","","","","has coordinates","298556","2025-03-21","23:36:25",""
"7250162","16.3508","0.0002","16.3508","0.0002","21.9979","0.0002","90","","90","","120","","5093.19","0.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 N2 Na -","- C6 H14 Br3 N2 Na -","- C108 H252 Br54 N36 Na18 -","18","0.5","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","1.54184","CuKα","","0.016","0.0159","","","0.0375","0.0375","","","","","","1.146","","","","has coordinates","298556","2025-03-21","23:36:26",""
"7250163","16.0388","0.0002","16.0388","0.0002","22.2094","0.0004","90","","90","","120","","4947.79","0.12","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 K N2 -","- C6 H14 Cl3 K N2 -","- C108 H252 Cl54 K18 N36 -","18","0.5","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0164","0.0159","","","0.0422","0.0424","","","","","","1.157","","","","has coordinates","298556","2025-03-21","23:36:27",""
"7250164","9.77","0.0001","9.77","0.0001","11.9653","0.0002","90","","90","","120","","989.11","0.02","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl2 Cs I N2 -","- C6 H14 Cl2 Cs I N2 -","- C18 H42 Cl6 Cs3 I3 N6 -","3","0.5","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0186","0.0173","","","0.0354","0.0357","","","","","","1.037","","","","has coordinates","298556","2025-03-21","23:36:27",""
"7250165","9.8044","0.0002","9.8273","0.0003","27.3662","0.0007","90","","90","","90","","2636.75","0.12","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Br3 Cs N2 -","- C6 H14 Br3 Cs N2 -","- C48 H112 Br24 Cs8 N16 -","8","1","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0429","0.0344","","","0.0802","0.0832","","","","","","1.052","","","","has coordinates,has disorder","298556","2025-03-21","23:36:27",""
"7250166","16.5223","0.0003","16.5223","0.0003","23.0126","0.0006","90","","90","","120","","5440.5","0.2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 K N2 -","- C6 H14 Br3 K N2 -","- C108 H252 Br54 K18 N36 -","18","0.5","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0222","0.0198","","","0.0495","0.05","","","","","","1.064","","","","has coordinates","298556","2025-03-21","23:36:28",""
"7250167","9.6698","0.0007","9.6698","0.0007","12.2899","0.0009","90","","90","","120","","995.21","0.13","153","2","153","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H14 I3 K N2 -","- C6 H14 I3 K N2 -","- C18 H42 I9 K3 N6 -","3","0.166667","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0693","0.0667","","","0.1542","0.1553","","","","","","1.296","","","","has coordinates","298556","2025-03-21","23:36:29",""
"7250168","15.8747","0.0001","15.8747","0.0001","21.1921","0.0002","90","","90","","120","","4625.04","0.06","149.98","0.1","149.98","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 N2 Na -","- C6 H14 Cl3 N2 Na -","- C108 H252 Cl54 N36 Na18 -","18","0.5","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","x-ray","1.54184","CuKα","","0.023","0.0226","","","0.0777","0.0781","","","","","","1.034","","","","has coordinates","298556","2025-03-21","23:36:29",""
"7250169","41.1638","0.0016","9.4899","0.0001","32.6647","0.0013","90","","131.638","0.007","90","","9536.4","1.2","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Cl12 Cs4 N8 -","- C24 H56 Cl12 Cs4 N8 -","- C192 H448 Cl96 Cs32 N64 -","8","1","","van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie","Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites","CrystEngComm","2025","","","","","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0374","0.0295","","","0.0703","0.0735","","","","","","1.027","","","","has coordinates","298556","2025-03-21","23:36:29",""
"7250170","20.809","0.003","18.499","0.002","10.0983","0.0012","90","","95.989","0.006","90","","3866.1","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 O12 S4 -","- C38 H41 O12 S4 -","- C152 H164 O48 S16 -","4","0.5","","Lei, Min; Jiang, Lisha; Wang, Chunhui; Song, Jianxin; Liu, Wei; Qiu, Jie","A Flexible Molecular Organic Crystal with π−π Bonding for the Highly Selective Recognition of Hydrogen Isotopes","CrystEngComm","2025","","","","","10.1039/D5CE00221D","","","0.71073","MoKα","","0.1062","0.0772","","","0.1755","0.191","","","","","","1.117","","","","has coordinates,has disorder","298557","2025-03-21","23:37:01",""
"7250174","10.078","0.002","9.888","0.002","20.434","0.004","90","","101.85","0.03","90","","1992.9","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5-(diphenylamino)-2-formylphenoxy)benzonitrile","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual state emissive twisted donor-acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","","","","","10.1039/D4CE01317D","","","0.7","synchrotron","","0.0949","0.0574","","","0.1433","0.166","","","","","","1.034","","","","has coordinates","298582","2025-03-25","23:38:24",""
"7250175","7.684","0.0015","8.609","0.0017","19.253","0.004","87.9","0.03","89.11","0.03","78.07","0.03","1245.2","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","2-(2-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-5-(diphenylamino)phenoxy)benzonitrile","","- C32 H24 N4 O4 -","- C32 H24 N4 O4 -","- C64 H48 N8 O8 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual state emissive twisted donor-acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","","","","","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1113","0.102","","","0.31","0.3147","","","","","","1.104","","","","has coordinates","298582","2025-03-25","23:38:26",""
"7250176","7.518","0.0015","36.519","0.007","9.083","0.0018","90","","97.19","0.03","90","","2474.1","0.9","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylate","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual state emissive twisted donor-acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","","","","","10.1039/D4CE01317D","","","0.7","synchrotron","","0.1111","0.0546","","","0.119","0.1413","","","","","","1.018","","","","has coordinates","298582","2025-03-25","23:38:27",""
"7250177","8.658","0.0017","10.746","0.002","13.271","0.003","76.39","0.03","74.05","0.03","83.35","0.03","1152.1","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylamide","","- C29 H20 N4 O2 -","- C29 H20 N4 O2 -","- C58 H40 N8 O4 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual state emissive twisted donor-acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","","","","","10.1039/D4CE01317D","","","0.63","synchrotron","","0.0546","0.0443","","","0.1167","0.124","","","","","","1.045","","","","has coordinates","298582","2025-03-25","23:38:29",""
"7250178","11.226","0.002","13.215","0.003","16.773","0.003","81.42","0.03","87.99","0.03","69.34","0.03","2301.8","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylic acid","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual state emissive twisted donor-acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","","","","","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1026","0.0763","","","0.2179","0.2387","","","","","","1.069","","","","has coordinates","298582","2025-03-25","23:38:29",""
"7250179","25.471","0.004","26.107","0.004","26.205","0.004","90","","90","","90","","17426","5","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H200 Ag40 Nb6 O19 S32 -","- C84 H194 Ag40 Nb6 O19 S32 -","- C336 H776 Ag160 Nb24 O76 S128 -","4","0.5","","Zeng, Li; Lin, Ya-Ting; Hong, Li-Hao; Sun, Yan-Qiong; Xie, Jianping; Zheng, Shou-Tian; Li, Xin-Xiong","A new silver-thiolate nanocluster synthesized utilizing pure-inorganic polyoxoniobate as a starting template and its variable-temperature fluorescence property","CrystEngComm","2025","","","","","10.1039/D5CE00195A","","","0.71073","MoKα","","0.0368","0.0308","","","0.0696","0.0744","","","","","","1.041","","","","has coordinates","298583","2025-03-25","23:39:02",""
"7250184","13.43","0.0014","8.8535","0.001","11.7594","0.0012","90","","99.231","0.006","90","","1380.1","0.3","281","2","281.59","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenalidomide Dihydrate","3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Zhang, Qi; Zhu, Yitong; Xu, Yisheng; Yang, Huaiyu; Li, Wei; Zhang, Xiangyang","Different Thermal and Solubility Properties with Identical Crystal Structure - Case of Lenalidomide Hydrate","CrystEngComm","2025","","","","","10.1039/D4CE00798K","","","1.54178","CuKα","","0.1059","0.0806","","","0.2268","0.2677","","","","","","1.063","","","","has coordinates","298608","2025-03-26","23:37:22",""
"7250185","8.1897","0.0005","29.5212","0.0016","8.055","0.0005","90","","99.46","0.006","90","","1921","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 N O -","- C23 H16 Cl2 N O -","- C92 H64 Cl8 N4 O4 -","4","1","","Xiao, Hui; Ma, Huili; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","","","","","10.1039/D4CE01323A","","","0.71073","MoKα","","0.1179","0.0844","","","0.2427","0.2665","","","","","","1.082","","","","has coordinates","298629","2025-03-27","23:43:03",""
"7250186","10.3584","0.0006","14.3225","0.0007","10.9878","0.0008","90","","109.787","0.007","90","","1533.88","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N O -","- C22 H14 N O -","- C88 H56 N4 O4 -","4","1","","Xiao, Hui; Ma, Huili; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","","","","","10.1039/D4CE01323A","","","0.71073","MoKα","","0.0895","0.0544","","","0.1144","0.1327","","","","","","1.045","","","","has coordinates","298629","2025-03-27","23:43:05",""
"7250196","9.6377","0.0003","15.5333","0.0004","18.4376","0.0005","76.307","0.001","88.371","0.001","82.631","0.001","2659.6","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H57 N7 O9 Zn2 -","- C62 H57 N7 O9 Zn2 -","- C124 H114 N14 O18 Zn4 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Wu; Chen, Mingguang; Gao, Shu-Man; Shao, Feng","Two Zinc(II)-Based coordination polymers as Luminescent Sensors for detecting Salicylaldehyde with High Sensitivity and Selectivity","CrystEngComm","2025","","","","","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0964","0.0544","","","0.1187","0.1424","","","","","","1.01","","","","has coordinates","298649","2025-03-28","23:42:55",""
"7250197","10.1228","0.0005","11.5907","0.0005","13.8893","0.0007","111.631","0.002","94.164","0.002","101.933","0.002","1462.16","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O4 Zn -","- C34 H24 N6 O4 Zn -","- C68 H48 N12 O8 Zn2 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Wu; Chen, Mingguang; Gao, Shu-Man; Shao, Feng","Two Zinc(II)-Based coordination polymers as Luminescent Sensors for detecting Salicylaldehyde with High Sensitivity and Selectivity","CrystEngComm","2025","","","","","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0744","0.0502","","","0.1179","0.132","","","","","","1.034","","","","has coordinates","298649","2025-03-28","23:42:57",""
"7250200","10.5074","0.0011","12.4178","0.0013","12.4907","0.0013","78.142","0.002","66.982","0.002","78.702","0.002","1455.9","0.3","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H59 Ni3 O41.5 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander; Goloveshkin, Alexander S.; Babeshkin, Konstantin Andreevich; Alexandrov, Eugeny V.; Efimov, N. N.; Kiskin, Mikhail A.; Eremenko, Igor","The role of alkali metal cations in construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","","","","","10.1039/D4CE01319K","","","0.71073","MoKα","","0.028","0.021","","","0.0496","0.0517","","","","","","1.038","","","","has coordinates","298663","2025-03-31","22:36:20",""
"7250201","5.2628","0.0002","10.5543","0.0004","10.7212","0.0004","114.616","0.001","92.679","0.001","101.051","0.002","525.98","0.04","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander; Goloveshkin, Alexander S.; Babeshkin, Konstantin Andreevich; Alexandrov, Eugeny V.; Efimov, N. N.; Kiskin, Mikhail A.; Eremenko, Igor","The role of alkali metal cations in construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","","","","","10.1039/D4CE01319K","","","0.71073","MoKα","","0.04","0.0318","","","0.0639","0.0673","","","","","","1.038","","","","has coordinates","298663","2025-03-31","22:36:23",""
"7250202","5.5034","0.0007","8.4085","0.0011","11.8303","0.0015","81.35","0.002","87.308","0.002","83.679","0.002","537.68","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander; Goloveshkin, Alexander S.; Babeshkin, Konstantin Andreevich; Alexandrov, Eugeny V.; Efimov, N. N.; Kiskin, Mikhail A.; Eremenko, Igor","The role of alkali metal cations in construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","","","","","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0406","0.0393","","","0.1086","0.1092","","","","","","1.168","","","","has coordinates","298663","2025-03-31","22:36:23",""
"7250203","10.2896","0.0018","12.302","0.002","12.719","0.002","75.425","0.003","66.665","0.002","78.791","0.003","1422.6","0.4","184","2","184.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander; Goloveshkin, Alexander S.; Babeshkin, Konstantin Andreevich; Alexandrov, Eugeny V.; Efimov, N. N.; Kiskin, Mikhail A.; Eremenko, Igor","The role of alkali metal cations in construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","","","","","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0568","0.0423","","","0.0948","0.1012","","","","","","1.043","","","","has coordinates","298663","2025-03-31","22:36:24",""
"7250204","18.6216","0.0006","35.2831","0.0008","10.5028","0.0003","90","","120.91","0.003","90","","5920.6","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Ca N2 O10 -","- C46 H40 Ca N2 O10 -","- C184 H160 Ca4 N8 O40 -","4","0.5","","Zhao, Baiwen; Clarkson, Guy James; Liu, Jie; Le, Thi-Huong; Marrot, Jérome; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural Variety in Calcium Metal-Organic Frameworks with a Tetratopic Carboxylate Ligand","CrystEngComm","2025","","","","","10.1039/D5CE00145E","","","0.7293","synchrotron","","0.1423","0.1034","","","0.2659","0.2924","","","","","","0.952","","","","has coordinates","298664","2025-03-31","22:37:00",""
"7250205","11.0429","0.0004","14.6332","0.0005","18.2349","0.0004","99.017","0.002","91.928","0.002","99.224","0.003","2867.36","0.16","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy James; Liu, Jie; Le, Thi-Huong; Marrot, Jérome; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural Variety in Calcium Metal-Organic Frameworks with a Tetratopic Carboxylate Ligand","CrystEngComm","2025","","","","","10.1039/D5CE00145E","","","1.54184","CuKα","","0.0892","0.0749","","","0.2173","0.2319","","","","","","1.045","","","","has coordinates,has disorder","298664","2025-03-31","22:37:02",""
"7250206","6.8684","0.0002","13.8322","0.0004","14.4683","0.0005","105.538","0.002","95.126","0.002","101.433","0.002","1283.2","0.07","292","2","292.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy James; Liu, Jie; Le, Thi-Huong; Marrot, Jérome; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural Variety in Calcium Metal-Organic Frameworks with a Tetratopic Carboxylate Ligand","CrystEngComm","2025","","","","","10.1039/D5CE00145E","","","0.71073","MoKα","","0.0876","0.0724","","","0.2249","0.2456","","","","","","1.046","","","","has coordinates","298664","2025-03-31","22:37:02",""
"7250207","18.603","0.0006","19.2334","0.0007","20.9801","0.0007","66.031","0.004","67.392","0.003","85.309","0.003","6307.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H62 Ca5 O29 -","- C114 H62 Ca5 O29 -","- C228 H124 Ca10 O58 -","2","1","","Zhao, Baiwen; Clarkson, Guy James; Liu, Jie; Le, Thi-Huong; Marrot, Jérome; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural Variety in Calcium Metal-Organic Frameworks with a Tetratopic Carboxylate Ligand","CrystEngComm","2025","","","","","10.1039/D5CE00145E","","","1.54184","CuKα","","0.1399","0.0902","","","0.2623","0.3028","","","","","","1.006","","","","has coordinates,has disorder","298664","2025-03-31","22:37:03",""
"7250208","7.0067","0.0009","11.6243","0.0015","17.481","0.002","100.627","0.005","97.557","0.005","98.458","0.005","1365.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H32 N6 O6.5 S -","- C26 H28 N6 O6 S -","- C52 H56 N12 O12 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New Salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","","","","","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0927","0.0889","","","0.1985","0.2001","","","","","","1.296","","","","has coordinates,has disorder","298676","2025-04-01","22:34:49",""
"7250209","7.9585","0.0006","9.7595","0.0008","18.6559","0.0016","81.61","0.004","88.461","0.004","83.493","0.003","1424.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O4 S -","- C27 H35 N5 O4 S -","- C54 H70 N10 O8 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New Salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","","","","","10.1039/D4CE01228C","","","0.71073","MoKα","","0.1098","0.0955","","","0.1957","0.2012","","","","","","1.177","","","","has coordinates,has disorder","298676","2025-04-01","22:34:50",""
"7250210","10.6139","0.0006","13.0164","0.0011","13.2023","0.0008","111.948","0.003","95.785","0.002","114.007","0.002","1475","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O7 S -","- C29 H34 N6 O7 S -","- C58 H68 N12 O14 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New Salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","","","","","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0925","0.0881","","","0.1976","0.2","","","","","","1.166","","","","has coordinates,has disorder","298676","2025-04-01","22:34:50",""
"7250211","11.81","0.12","4.94","0.08","17.74","0.13","90","","95.86","0.17","90","","1030","2","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","7_Cyano_L_Trp","7_Cyano_L_Trp","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of molecular arrangement for functionalized crystals","CrystEngComm","2025","","","","","10.1039/D5CE00099H","","electron","0.0251","transmissionelectronmicroscope","","0.2544","0.1854","","","0.4603","0.5176","","","","","","1.185","","","","has coordinates","298695","2025-04-02","22:39:31",""
"7250212","18.6956","0.00008","18.6956","0.00008","5.95062","0.00004","90","","90","","90","","2079.89","0.019","223","","223","","","","","","","","","4","I 4","I 4","79","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of molecular arrangement for functionalized crystals","CrystEngComm","2025","","","","","10.1039/D5CE00099H","","","1.54184","CuKα","","0.024","0.0238","","","0.0618","0.0619","","","","","","1.089","","","","has coordinates","298695","2025-04-02","22:39:32",""
"7250213","9.02963","0.00016","5.82382","0.0001","9.7226","0.00017","90","","112.326","0.002","90","","472.955","0.016","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C20 H22 N6 O4 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of molecular arrangement for functionalized crystals","CrystEngComm","2025","","","","","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0726","0.0717","","","0.1823","0.1837","","","","","","1.031","","","","has coordinates","298695","2025-04-02","22:39:32",""
"7250214","9.4366","0.0001","5.7664","0.0001","19.631","0.0003","90","","101.21","0.001","90","","1047.84","0.03","223","2","223.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C46 H46 N10 O8 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of molecular arrangement for functionalized crystals","CrystEngComm","2025","","","","","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0404","0.0349","","","0.0887","0.0922","","","","","","1.06","","","","has coordinates","298695","2025-04-02","22:39:33",""
"7250216","32.084","0.0011","6.2079","0.0002","21.7596","0.0007","90","","106.709","0.001","90","","4151","0.2","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 I O5 S -","- C20 H12 F3 I O4 S -","- C160 H96 F24 I8 O32 S8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","single crystal","1.54178","CuKα","","0.031","0.0284","","","0.074","0.0759","","","","","","1.063","","","","has coordinates","298708","2025-04-03","22:38:49",""
"7250217","4.812","0.0001","19.7752","0.0005","14.9145","0.0004","90","","98.519","0.001","90","","1403.58","0.06","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","x-ray","1.54178","CuKα","","0.0249","0.0224","","","0.0559","0.0575","","","","","","1.051","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250218","10.16","0.005","15.349","0.007","13.056","0.006","90","","109.4","0.02","90","","1920.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 I O4 S -","- C20 H12 F3 I O4 S -","- C80 H48 F12 I4 O16 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0393","0.0335","","","0.0927","0.0955","","","","","","1.15","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250219","17.2909","0.0014","4.0044","0.0003","14.8721","0.0012","90","","105.375","0.0019","90","","992.89","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Br Se -","- C12 H7 Br Se -","- C48 H28 Br4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0286","0.0276","","","0.0904","0.0913","","","","","","1.086","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250220","4.7662","0.0003","19.7037","0.0011","14.7618","0.0008","90","","96.564","0.003","90","","1377.22","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0745","0.0511","","","0.1168","0.14","","","","","","1.058","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250221","3.9473","0.0002","29.7393","0.0016","11.4521","0.0006","90","","91.572","0.003","90","","1343.86","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0508","0.0377","","","0.0871","0.0986","","","","","","1.055","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250222","3.9799","0.0004","29.881","0.003","11.4398","0.0011","90","","92.136","0.002","90","","1359.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0277","0.0268","","","0.0737","0.0745","","","","","","1.061","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250223","19.67","0.002","8.7121","0.0009","16.4513","0.0017","90","","91.509","0.002","90","","2818.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0274","0.0271","","","0.0776","0.0778","","","","","","1.092","","","","has coordinates","298708","2025-04-03","22:38:50",""
"7250224","10.6483","0.0011","20.468","0.002","13.8551","0.0013","90","","110.162","0.003","90","","2834.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","2","","Höfmann, Lea; Wölper, Christoph; Siera, Hannah; Huber, Alexander; Daniliuc, Constantin Gabriel; Haberhauer, Gebhard; Voskuhl, Jens","Tuning Carbonyl Interactions in Dibenzochalcogenophenes","CrystEngComm","2025","","","","","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0273","0.0245","","","0.0589","0.06","","","","","","1.156","","","","has coordinates","298708","2025-04-03","22:38:51",""
"7250229","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","299220","2025-04-08","22:45:50",""
"7250230","7.9279","0.0007","9.8606","0.0009","10.2238","0.0008","103.116","0.002","111.147","0.002","98.956","0.003","700.7","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","1","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.026","0.0205","","","0.0431","0.0464","","","","","","1.059","","","","has coordinates","299220","2025-04-08","22:45:51",""
"7250231","11.111","0.003","11.12","0.004","13.583","0.004","75.672","0.009","74.72","0.008","83.333","0.011","1566.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C80 H68 N8 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0685","0.0587","","","0.1306","0.1356","","","","","","1.124","","","","has coordinates,has disorder","299220","2025-04-08","22:45:51",""
"7250232","11.442","0.0009","11.5769","0.0009","14.7255","0.0012","105.644","0.003","95.194","0.003","90.202","0.003","1869.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0886","0.0626","","","0.1676","0.1932","","","","","","1.035","","","","has coordinates","299220","2025-04-08","22:45:51",""
"7250233","10.325","0.004","11.902","0.005","16.282","0.006","83.689","0.012","72.592","0.013","77.625","0.012","1862.6","1.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0726","0.0478","","","0.1166","0.1345","","","","","","1.055","","","","has coordinates,has disorder","299220","2025-04-08","22:45:51",""
"7250234","11.8378","0.0018","7.6253","0.0013","14.277","0.003","90","","96.549","0.006","90","","1280.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0557","0.0413","","","0.0958","0.1028","","","","","","1.059","","","","has coordinates","299220","2025-04-08","22:45:51",""
"7250235","7.7573","0.0005","17.2615","0.0009","19.0749","0.001","90","","90","","90","","2554.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C128 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0639","0.0431","","","0.0891","0.099","","","","","","1.04","","","","has coordinates","299220","2025-04-08","22:45:52",""
"7250236","9.3691","0.0013","10.7182","0.0015","29.938","0.004","90","","94.932","0.004","90","","2995.2","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1435","0.0745","","","0.1453","0.1729","","","","","","1.01","","","","has coordinates","299220","2025-04-08","22:45:52",""
"7250237","10.3829","0.0007","10.67","0.0007","13.3452","0.0008","100.606","0.002","94.261","0.002","113.76","0.002","1311.79","0.15","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0887","0.0636","","","0.1493","0.1629","","","","","","1.018","","","","has coordinates","299220","2025-04-08","22:45:52",""
"7250238","26.8941","0.0016","13.4775","0.0008","18.9193","0.0012","90","","121.399","0.002","90","","5853.4","0.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C320 H208 N32 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0589","0.0448","","","0.1076","0.1158","","","","","","1.038","","","","has coordinates","299220","2025-04-08","22:45:53",""
"7250239","9.9995","0.0009","21.219","0.002","15.4151","0.0014","90","","90","","90","","3270.8","0.5","298","2","298","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.066","0.0557","","","0.1464","0.1536","","","","","","1.053","","","","has coordinates","299220","2025-04-08","22:45:53",""
"7250240","8.9156","0.0012","9.8977","0.0014","12.03","0.0017","78.532","0.004","88.488","0.004","83.005","0.004","1032.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C48 H38 N10 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1038","0.0473","","","0.1145","0.1361","","","","","","1.027","","","","has coordinates","299220","2025-04-08","22:45:53",""
"7250241","7.9713","0.0007","15.8311","0.0014","29.59","0.002","90","","95.268","0.003","90","","3718.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C152 H168 I8 N24 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1161","0.0651","","","0.1734","0.2245","","","","","","1.032","","","","has coordinates","299220","2025-04-08","22:45:54",""
"7250242","10.5848","0.0016","26.074","0.004","11.1341","0.0019","90","","94.403","0.005","90","","3063.8","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1027","0.0578","","","0.1225","0.1435","","","","","","1.064","","","","has coordinates","299220","2025-04-08","22:45:54",""
"7250243","28.913","0.004","4.8255","0.0005","14.858","0.002","90","","104.627","0.005","90","","2005.8","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C96 H76 N20 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.084","0.0542","","","0.123","0.1381","","","","","","1.035","","","","has coordinates","299220","2025-04-08","22:45:54",""
"7250244","15.271","0.002","9.8156","0.0013","20.758","0.003","90","","98.675","0.006","90","","3075.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1227","0.0529","","","0.1288","0.1407","","","","","","1.069","","","","has coordinates","299220","2025-04-08","22:45:54",""
"7250245","18.426","0.007","14.516","0.006","24.976","0.011","90","","90","","90","","6680","5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C320 H272 N32 O16 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0842","0.0551","","","0.1265","0.1417","","","","","","1.05","","","","has coordinates","299220","2025-04-08","22:45:54",""
"7250246","14.9159","0.0012","18.4135","0.0009","22.7514","0.0013","90","","90","","90","","6248.8","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C20 H35 Co N10 O12 S4 -","- C20 H35 Co N10 O12 S4 -","- C160 H280 Co8 N80 O96 S32 -","8","0.25","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0501","0.0372","","","0.0992","0.1049","","","","","","1","","","","has coordinates,has disorder","299221","2025-04-08","22:47:13",""
"7250247","7.4363","0.0006","8.2733","0.0006","11.5486","0.0014","110.849","0.009","94.899","0.008","90.864","0.006","660.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","1","0.5","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0453","0.0353","","","0.0899","0.0977","","","","","","1.003","","","","has coordinates","299221","2025-04-08","22:47:14",""
"7250248","14.3265","0.0005","14.3265","0.0005","24.7933","0.0016","90","","90","","90","","5088.8","0.4","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C14 H26 Cl Co K2 N6 O10 S2 -","- C14 H26 Cl Co K2 N6 O10 S2 -","- C112 H208 Cl8 Co8 K16 N48 O80 S16 -","8","0.5","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0621","0.0435","","","0.1095","0.12","","","","","","1.007","","","","has coordinates","299221","2025-04-08","22:47:14",""
"7250249","7.4383","0.0005","12.0736","0.0009","19.2979","0.0012","100.1","0.006","98.038","0.006","91.656","0.006","1686.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H53 Cl2 Co2 N12 O16 S2 -","- C7 H52.932 Cl2 Co2 N12 O16 S2 -","- C14 H105.864 Cl4 Co4 N24 O32 S4 -","2","1","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1016","0.0579","","","0.1312","0.1598","","","","","","0.851","","","","has coordinates,has disorder","299221","2025-04-08","22:47:14",""
"7250250","25.0699","0.001","7.2512","0.0004","10.8265","0.0006","90","","90","","90","","1968.12","0.17","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H24 Cl Co N6 O9 S -","- C7 H24 Cl Co N6 O8.999 S -","- C28 H96 Cl4 Co4 N24 O35.996 S4 -","4","0.5","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0584","0.0485","","","0.1471","0.1559","","","","","","1.026","","","","has coordinates,has disorder","299221","2025-04-08","22:47:14",""
"7250251","14.489","0.003","6.871","0.001","17.692","0.003","90","","97.903","0.017","90","","1744.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Cl2 Co N6 Na O5.69 S -","- C7 H22 Cl2 Co N6 Na O5.688 S -","- C28 H88 Cl8 Co4 N24 Na4 O22.752 S4 -","4","1","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1081","0.0528","","","0.0847","0.0902","","","","","","1.01","","","","has coordinates,has disorder","299221","2025-04-08","22:47:14",""
"7250252","12.9654","0.0005","13.1933","0.0006","16.5514","0.0009","83.432","0.004","72.016","0.004","68.761","0.004","2510","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Co N14 O14 S2 -","- C36 H46 Co N14 O14.001 S2 -","- C72 H92 Co2 N28 O28.002 S4 -","2","1","","Ecaterina, Beleaev; Kravtsov, Victor Ch.; Chumakov, Yuri; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","","","","","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1","0.0648","","","0.1764","0.2021","","","","","","1.001","","","","has coordinates","299221","2025-04-08","22:47:15",""
"7250253","8.6758","0.0004","15.7644","0.0006","10.951","0.0005","90","","96.07","0.002","90","","1489.36","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Shukla, Vibhav; ASTAKALA, ANIL KUMAR; Haq, Nazrul; Tothadi, Srinu; Siddiqui, Kafeel Ahmad","A Dual-Function Crystalline Sensor: Tris(2-Carboxyethyl) Isocyanurate for Ultra-Sensitive Detection and Sustainable Degradation of Tetracycline Antibiotics","CrystEngComm","2025","","","","","10.1039/D5CE00235D","","","0.71073","MoKα","","0.0633","0.0457","","","0.1197","0.137","","","","","","1.061","","","","has coordinates,has disorder","299222","2025-04-08","22:47:44",""
"7250254","14.1583","0.0004","14.4657","0.0004","14.2413","0.0003","90","","90","","90","","2916.76","0.13","298","","298","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0177","0.017","","","0.0436","0.0439","","","","","","1.136","","","","has coordinates,has disorder","299223","2025-04-08","22:48:56",""
"7250255","14.2452","0.0005","14.5204","0.0006","14.3176","0.0005","90","","90","","90","","2961.54","0.19","410","","410","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C5.71 H16.54 I3 N4 P -","- C5.7 H16.54 I3 N4 P -","- C45.6 H132.32 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0356","0.0339","","","0.0937","0.0953","","","","","","1.089","","","","has coordinates,has disorder","299223","2025-04-08","22:48:57",""
"7250256","14.1395","0.0005","14.4681","0.0005","14.2255","0.0004","90","","90","","90","","2910.13","0.17","253","","253","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0224","0.0211","","","0.0522","0.0527","","","","","","1.092","","","","has coordinates,has disorder","299223","2025-04-08","22:48:58",""
"7250257","7.0146","0.0004","7.0146","0.0004","7.0146","0.0004","90","","90","","90","","345.15","0.03","415","","415","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C14 Br3 N -","- C14 Br3 N -","- C14 Br3 N -","1","0.0208333","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1203","0.0729","","","0.2556","0.2999","","","","","","1.101","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250258","6.9497","0.0009","6.9497","0.0009","6.9497","0.0009","90","","90","","90","","335.66","0.08","391","","391","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.6 Br3 N -","- C12.6 Br3 N -","- C12.6 Br3 N -","1","0.0208333","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0766","0.0492","","","0.12","0.1308","","","","","","1.088","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250259","7.0028","0.0004","7.0028","0.0004","7.0028","0.0004","90","","90","","90","","343.41","0.03","410","","410","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.3 Br3 N -","- C12.28 Br3 N -","- C12.28 Br3 N -","1","0.0208333","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0717","0.062","","","0.1267","0.1313","","","","","","1.437","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250260","10.4847","0.0003","10.4847","0.0003","14.8469","0.0007","90","","90","","90","","1632.1","0.1","391","","391","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H16 B3 F12 N3.9 P1.1 -","- C6 H16 B3 F12 N3.902 P1.098 -","- C24 H64 B12 F48 N15.608 P4.392 -","4","0.5","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0796","0.0638","","","0.199","0.222","","","","","","1.093","","","","has coordinates,has disorder","299223","2025-04-08","22:48:58",""
"7250261","13.7974","0.0004","9.9483","0.0003","9.661","0.0003","90","","90","","90","","1326.08","0.07","322","","322","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0505","0.0491","","","0.1299","0.131","","","","","","1.051","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250262","13.7604","0.0003","9.9259","0.0003","9.6119","0.0003","90","","90","","90","","1312.84","0.06","253","","253","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0237","0.0224","","","0.0509","0.0512","","","","","","1.117","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250263","13.7833","0.0004","9.9419","0.0003","9.6453","0.0003","90","","90","","90","","1321.72","0.07","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0492","0.0481","","","0.1258","0.1268","","","","","","1.069","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250264","6.9822","0.0004","6.9822","0.0004","6.9822","0.0004","90","","90","","90","","340.39","0.03","401","","401","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.46 Br3 N -","- C12.48 Br3 N -","- C12.48 Br3 N -","1","0.0208333","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0657","0.0404","","","0.1199","0.1422","","","","","","1.07","","","","has coordinates","299223","2025-04-08","22:48:58",""
"7250265","13.8322","0.0008","9.9354","0.0007","9.7055","0.0008","90","","90","","90","","1333.81","0.16","382","","382","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1106","0.087","","","0.1889","0.2076","","","","","","1.023","","","","has coordinates,has disorder","299223","2025-04-08","22:48:59",""
"7250266","13.818","0.0005","9.9528","0.0004","9.6881","0.0004","90","","90","","90","","1332.38","0.09","354","","354","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0525","0.0499","","","0.1349","0.1367","","","","","","1.047","","","","has coordinates","299223","2025-04-08","22:48:59",""
"7250267","13.8355","0.0005","9.9594","0.0004","9.7006","0.0004","90","","90","","90","","1336.68","0.09","364","","364","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0513","0.0451","","","0.1106","0.1137","","","","","","1.069","","","","has coordinates","299223","2025-04-08","22:48:59",""
"7250268","13.8098","0.0004","9.9529","0.0003","9.6797","0.0004","90","","90","","90","","1330.45","0.08","345","","345","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0522","0.0503","","","0.1344","0.1363","","","","","","1.053","","","","has coordinates","299223","2025-04-08","22:48:59",""
"7250269","13.8318","0.0006","9.9497","0.0004","9.7003","0.0006","90","","90","","90","","1334.98","0.11","373","","373","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0681","0.0582","","","0.1283","0.1331","","","","","","1.153","","","","has coordinates,has disorder","299223","2025-04-08","22:48:59",""
"7250270","10.3573","0.0001","10.3573","0.0001","14.6992","0.0003","90","","90","","90","","1576.84","0.04","233","","233","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C8 H24.02 B4 F16 N5.34 P1.32 -","- C8 H24.0213 B4 F16 N5.344 P1.32267 -","- C24 H72.064 B12 F48 N16.032 P3.968 -","3","0.375","","Matsuda, Yumi; asai, Rentarou; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","","","","","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0622","0.0588","","","0.1593","0.1635","","","","","","1.07","","","","has coordinates,has disorder","299223","2025-04-08","22:48:59",""
"7250274","16.533","0.003","5.8462","0.0009","14.439","0.003","90","","102.45","0.006","90","","1362.8","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Azizova, Asmet N.; Safin, Damir; Panova, Elizaveta; Mahmoudi, Ghodrat; Voronina, Julia Konstantinovna; Tutar, Ömer Faruk","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: Syntheses, crystal structures, optical properties, theoretical calculations","CrystEngComm","2025","","","","","10.1039/D5CE00191A","","","0.71073","MoKα","","0.1034","0.061","","","0.127","0.1505","","","","","","1.024","","","","has coordinates","299241","2025-04-09","22:34:41",""
"7250275","6.1678","0.0004","14.2905","0.001","31.0405","0.0019","90","","90","","90","","2735.9","0.3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","1","","Azizova, Asmet N.; Safin, Damir; Panova, Elizaveta; Mahmoudi, Ghodrat; Voronina, Julia Konstantinovna; Tutar, Ömer Faruk","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: Syntheses, crystal structures, optical properties, theoretical calculations","CrystEngComm","2025","","","","","10.1039/D5CE00191A","","","0.71073","MoKα","","0.0741","0.0495","","","0.1099","0.1302","","","","","","1.047","","","","has coordinates","299241","2025-04-09","22:34:43",""
"7250276","34.6511","0.0007","20.6506","0.0005","24.2274","0.0006","90","","100.104","0.002","90","","17067.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C318 H432 Cl2 Mn6 N12 Na12 O44 S14 -","- C314 H426 Cl2 Mn6 N10 Na12 O44 S14 -","- C628 H852 Cl4 Mn12 N20 Na24 O88 S28 -","2","0.25","","Brechin, Euan K.; Wilson, Lucinda R. B.; Dalgarno, Scott","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","","","","","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1326","0.1094","","","0.2704","0.2844","","","","","","1.023","","","","has coordinates,has disorder","299242","2025-04-09","22:35:16",""
"7250277","17.5535","0.0004","18.1099","0.0004","20.511","0.0005","91.09","0.002","110.519","0.001","109.895","0.001","5670.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","1","0.5","","Brechin, Euan K.; Wilson, Lucinda R. B.; Dalgarno, Scott","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","","","","","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1387","0.1178","","","0.3792","0.4061","","","","","","1.661","","","","has coordinates,has disorder","299242","2025-04-09","22:35:17",""
"9017408","7.112","","7.112","","25.4089","","90","","90","","120","","1113.01","","","","","","","","","","","","theoretical","3","P 65","P 65","170","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017409","7.1239","","7.1239","","25.3203","","90","","90","","120","","1112.85","","","","","","","","","","","","theoretical","3","P 32 2 1","P 32 2""","154","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017410","8.4905","","6.3905","","4.5026","","90","","90","","90","","244.305","","","","","","","","","","","","theoretical","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017411","4.3668","","6.5831","","8.4282","","90","","90","","90","","242.286","","","","","","","","","","","","theoretical","3","P 21 21 21","P 2ac 2ab","19","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","1","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""